| 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 | 37.3 | Very low | 43.9 | Very low | 225 Ų | 225 | 174.8 Ų | 174.8 | 100% | 1.108 | 88% | 0.883 | S | S | * | * | 0 | 127.2 | 0 | -70.7 | -169.8 | 178 | 0 | 0 | 108.1 | |||||
| 2 | Q | 41.2 | Very low | 43.6 | Very low | 177 Ų | 177 | 166.7 Ų | 166.7 | 83% | 0.827 | 86% | 0.863 | S | S | * | * | trans | 59 | 111.5 | 149.4 | -69.7 | 150.1 | 47.2 | 0 | 0 | 120.2 | ||||
| 3 | T | 46 | Very low | 43.3 | Very low | 134 Ų | 134 | 160.5 Ų | 160.5 | 82% | 0.822 | 87% | 0.865 | S | S | * | * | trans | -63.3 | 156.3 | 141.4 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | P | 53.7 | Low | 43 | Very low | 124 Ų | 124 | 163.1 Ų | 163.1 | 81% | 0.805 | 87% | 0.869 | S | S | * | * | -145.6 | 155.9 | 99.9 | 33.1 | -14.7 | 0 | 0 | 0 | 115.9 | |||||
| 5 | R | 42.4 | Very low | 42.9 | Very low | 238 Ų | 238 | 158.9 Ų | 158.9 | 90% | 0.898 | 87% | 0.866 | S | S | * | * | trans | -93.9 | -175.9 | 154.8 | -87.3 | -175.7 | 170.7 | -170.5 | -2.1 | 108.3 | ||||
| 6 | P | 55.9 | Low | 43.2 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 79% | 0.792 | 86% | 0.86 | S | S | * | * | cis | -132.9 | 175.4 | -27.6 | 28.8 | -7.9 | 0 | 0 | 0 | 112.8 | ||||
| 7 | A | 42.3 | Very low | 43.7 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 87% | 0.868 | 85% | 0.854 | S | S | * | * | trans | -156.2 | 139.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 8 | M | 38.7 | Very low | 44 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 94% | 0.941 | 85% | 0.853 | S | S | * | * | trans | -70.2 | 160.9 | -176 | -60.8 | 154.8 | 126.3 | 0 | 0 | 113.8 | ||||
| 9 | R | 41.5 | Very low | 44.3 | Very low | 249 Ų | 249 | 149.1 Ų | 149.1 | 94% | 0.94 | 86% | 0.857 | S | S | * | * | 166.9 | 136 | 109.9 | -167.9 | 164.5 | -176.9 | 158.5 | 0.2 | 112.8 | |||||
| 10 | M | 42.6 | Very low | 44 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 85% | 0.847 | 85% | 0.851 | S | S | * | * | trans | -84.7 | 175.6 | 177.4 | -72.3 | 167.1 | 153.3 | 0 | 0 | 113.6 | ||||
| 11 | E | 41.6 | Very low | 43.8 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 87% | 0.869 | 85% | 0.85 | S | S | * | * | trans | 86 | 144.7 | 157.1 | -73.8 | -110.7 | 110.3 | 0 | 0 | 117.6 | ||||
| 12 | A | 39.8 | Very low | 44.2 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 64% | 0.636 | 84% | 0.843 | S | S | * | * | cis | -175 | 140.5 | -18.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 13 | G | 39.5 | Very low | 43.9 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -116 | 96.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 14 | E | 39.2 | Very low | 43.8 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | trans | -112 | 114.2 | 172.4 | -170.4 | 145.1 | 107.5 | 0 | 0 | 109.4 | ||||
| 15 | A | 42.3 | Very low | 43.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 119.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 16 | A | 46.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 149.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | P | 52 | Low | 42.8 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 153 | 167.3 | 33.5 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 18 | P | 50 | Low | 42.9 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 139.3 | -173 | 30.3 | -33.2 | 0 | 0 | 0 | 112.7 | G20 | P18-G20 PolarHBondContact O-N 3.43Š|
| 19 | A | 48.7 | Very low | 43.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 113.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 20 | G | 37.8 | Very low | 45 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 113.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P18 | P18-G20 PolarHBondContact O-N 3.43Š| ||
| 21 | A | 41.5 | Very low | 47.1 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 22.7 | 117.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | G23 | A21-G23 PolarHBondContact O-N 3.33Š| ||
| 22 | G | 45.6 | Very low | 49.5 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 97% | 0.969 | 76% | 0.762 | S | S | * | * | trans | -56 | 106.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 23 | G | 33.6 | Very low | 52 | Low | 65 Ų | 65 | 108.7 Ų | 108.7 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | -124.1 | 95.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | A21 A25 | A21-G23 PolarHBondContact O-N 3.33Å; G23-A25 PolarHBondContact O-N 3.4Å | ||
| 24 | R | 44.1 | Very low | 54.6 | Low | 255 Ų | 255 | 109.4 Ų | 109.4 | 96% | 0.962 | 71% | 0.709 | S | S | * | * | trans | -63.7 | 87.4 | 158.9 | -86.5 | -177.5 | 152.4 | -176.7 | -6.2 | 105.6 | A26 | R24-A26 PolarHBondContact O-N 3.24Š| ||
| 25 | A | 41.6 | Very low | 57.2 | Low | 86 Ų | 86 | 100.1 Ų | 100.1 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -50.2 | 117.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | G23 G27 | G23-A25 PolarHBondContact O-N 3.4Å; A25-G27 PolarHBondContact O-N 3.22Å | ||
| 26 | A | 47 | Very low | 59.8 | Low | 104 Ų | 104 | 96.5 Ų | 96.5 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | trans | -58.6 | 80.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | R24 G28 | R24-A26 PolarHBondContact O-N 3.24Å; A26-G28 PolarHBondContact O-N 3.29Å | ||
| 27 | G | 41.8 | Very low | 62.2 | Low | 60 Ų | 60 | 92.1 Ų | 92.1 | 62% | 0.619 | 60% | 0.596 | S | S | * | * | trans | -74.1 | 95 | -175.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | A25 W29 | A25-G27 PolarHBondContact O-N 3.22Å; G27-W29 PolarHBondContact O-N 3.2Å | ||
| 28 | G | 45.2 | Very low | 64.2 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | trans | -43.1 | 131.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | A26 G30 | A26-G28 PolarHBondContact O-N 3.29Å; G28-G30 PolarHBondContact O-N 3.2Å | ||
| 29 | W | 56.3 | Low | 66.3 | Low | 205 Ų | 205 | 85.4 Ų | 85.4 | 78% | 0.777 | 57% | 0.572 | S | S | * | * | trans | -46.6 | 111.4 | -177 | -57.5 | -27.1 | 0 | 0 | 0 | 109.2 | G27 K31 | G27-W29 PolarHBondContact O-N 3.2Å; W29-K31 PolarHBondContact O-N 3.36Å | ||
| 30 | G | 68.3 | Low | 68.7 | Low | 42 Ų | 42 | 83.2 Ų | 83.2 | 43% | 0.433 | 55% | 0.547 | S | S | . | . | trans | -51.5 | 135 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G28 W32 R46 | G28-G30 PolarHBondContact O-N 3.2Å; G30-W32 PolarHBondContact O-N 3.27Å; G30-R46 PolarHBondContact O-NE 3.48Å | ||
| 31 | K | 87.4 | Confident | 71.5 | Confident | 140 Ų | 140 | 83 Ų | 83 | 61% | 0.609 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -51.2 | -37.2 | 175.8 | 174.6 | -177.8 | 175.8 | -178.3 | 0 | 111.3 | W29 T45 R46 | W29-K31 PolarHBondContact O-N 3.36Å; K31-T45 HydrophobicContact CG-CG2 4.25Å; K31-T45 CarbonylContact O-C 3.55Å; K31-T45 WeakPolarHBondContact O-CA 3.28Å; K31-T45 WeakPolarHBondContact O-CB 3.44Å; K31-R46 PolarHBondContact O-N 3.09Å |
| 32 | W | 91.9 | Very high | 74.1 | Confident | 155 Ų | 155 | 80.3 Ų | 80.3 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141.1 | -179.6 | -65.7 | 101.3 | 0 | 0 | 0 | 111.8 | G30 L43 T44 T45 | G30-W32 PolarHBondContact O-N 3.27Å; W32-L43 HydrophobicContact CB-CD1 4.38Å; W32-L43 HydrophobicContact CE3-CD1 4.28Å; W32-L43 HydrophobicContact CE3-CD2 4.23Å; W32-L43 HydrophobicContact CE3-CG 3.89Å; W32-L43 HydrophobicContact CZ3-CD2 4.47Å; W32-L43 HydrophobicContact CZ3-CG 4.29Å; W32-T44 CarbonylContact C-O 3.52Å; W32-T44 WeakPolarHBondContact CA-O 2.93Å; W32-T45 HydrophobicContact CD2-CG2 4.22Å; W32-T45 HydrophobicContact CE3-CG2 3.92Å; W32-T45 HydrophobicContact CH2-CG2 4.23Å; W32-T45 HydrophobicContact CZ3-CG2 3.93Å |
| 33 | V | 91.7 | Very high | 76.5 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.03 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.2 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | L35 T44 R46 L49 Y76 | V33-L35 HydrophobicContact CG1-CD2 3.91Å; V33-L35 HydrophobicContact CG1-CG 4.45Å; V33-T44 PolarHBondContact N-O 3.07Å; V33-T44 PolarHBondContact O-N 3.23Å; V33-R46 HydrophobicContact CG2-CB 4.34Å; V33-R46 HydrophobicContact CG2-CG 3.32Å; V33-L49 HydrophobicContact CB-CD1 4.18Å; V33-L49 HydrophobicContact CG1-CD1 3.9Å; V33-L49 HydrophobicContact CG2-CD1 4.44Å; V33-Y76 HydrophobicContact CG1-CD2 3.68Å; V33-Y76 HydrophobicContact CG1-CE2 3.66Å |
| 34 | R | 93.5 | Very high | 79.4 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 39% | 0.389 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.9 | 172.8 | -63.7 | 176.7 | 70.1 | 178.3 | 0.1 | 108.8 | F42 L43 T73 A75 Y76 | R34-F42 WeakPolarHBondContact CA-O 3.27Å; R34-L43 HydrophobicContact CG-CD1 3.66Å; R34-T73 PolarHBondContact NH1-OG1 3.09Å; R34-A75 HydrophobicContact CB-CB 3.58Å; R34-A75 WeakPolarHBondContact O-CA 3.21Å; R34-Y76 PolarHBondContact O-N 3.49Å |
| 35 | L | 95.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.5 | 174.2 | -55.1 | 177.2 | 0 | 0 | 0 | 107.3 | V33 V37 V41 F42 T44 L49 L57 Y76 I78 F85 | V33-L35 HydrophobicContact CG1-CD2 3.91Å; V33-L35 HydrophobicContact CG1-CG 4.45Å; L35-V37 HydrophobicContact CB-CG2 4.3Å; L35-V41 CarbonylContact O-C 3.59Å; L35-V41 VanDerWaalsContact O-CA 3.31Å; L35-V41 WeakPolarHBondContact O-CA 3.4Å; L35-F42 HydrophobicContact CB-CB 4.39Å; L35-F42 PolarHBondContact N-O 3.45Å; L35-F42 PolarHBondContact O-N 3.5Å; L35-T44 HydrophobicContact CD1-CG2 4.39Å; L35-L49 HydrophobicContact CD1-CD1 4.35Å; L35-L49 HydrophobicContact CD1-CD2 3.98Å; L35-L49 HydrophobicContact CD2-CD1 4.28Å; L35-L57 HydrophobicContact CD1-CD2 4.33Å; L35-Y76 HydrophobicContact CD2-CD2 4.07Å; L35-Y76 HydrophobicContact CD2-CG 4.36Å; L35-I78 HydrophobicContact CD2-CD1 4.41Å; L35-F85 HydrophobicContact CD1-CE1 4.06Å; L35-F85 HydrophobicContact CD1-CZ 3.67Å |
| 36 | N | 95.9 | Very high | 84.2 | Confident | 24 Ų | 24 | 64.4 Ų | 64.4 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 101.2 | 172.1 | -174 | -13.8 | 0 | 0 | 0 | 107.6 | G39 T40 V41 A75 Y76 L77 I78 | N36-G39 WeakPolarHBondContact OD1-CA 3.43Å; N36-G39 PolarHBondContact OD1-N 3.06Å; N36-G39 VanDerWaalsContact OD1-N 3.15Å; N36-T40 WeakPolarHBondContact CA-O 3.46Å; N36-T40 PolarHBondContact OD1-N 3.05Å; N36-V41 HydrophobicContact CB-CG2 4.49Å; N36-A75 HydrophobicContact CB-CB 4.17Å; N36-Y76 PolarHBondContact N-O 3.44Å; N36-L77 HydrophobicContact CB-CD2 4.17Å; N36-L77 CarbonylContact O-C 3.42Å; N36-L77 WeakPolarHBondContact O-CA 3.17Å; N36-I78 PolarHBondContact O-N 3.23Å |
| 37 | V | 96.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.4 | -176.4 | -173.8 | 0 | 0 | 0 | 0 | 108 | L35 G39 T40 F42 I78 R80 P82 F85 | L35-V37 HydrophobicContact CB-CG2 4.3Å; V37-G39 PolarHBondContact O-N 3.42Å; V37-T40 PolarHBondContact N-O 3.49Å; V37-T40 PolarHBondContact O-N 3.44Å; V37-F42 HydrophobicContact CB-CD2 4.13Å; V37-F42 HydrophobicContact CB-CE2 3.94Å; V37-F42 HydrophobicContact CG2-CD2 3.87Å; V37-F42 HydrophobicContact CG2-CE2 4.14Å; V37-I78 CarbonylContact C-O 3.58Å; V37-I78 WeakPolarHBondContact CA-O 3.42Å; V37-I78 HydrophobicContact CG1-CB 4.49Å; V37-I78 HydrophobicContact CG1-CG2 4.34Å; V37-I78 HydrophobicContact CG2-CB 4.2Å; V37-I78 HydrophobicContact CG2-CD1 4.1Å; V37-R80 HydrophobicContact CG1-CB 4.06Å; V37-R80 WeakPolarHBondContact CG1-O 3.47Å; V37-P82 WeakPolarHBondContact O-CB 3.47Å; V37-F85 HydrophobicContact CG1-CB 4.23Å; V37-F85 HydrophobicContact CG1-CG 4.3Å; V37-F85 HydrophobicContact CG2-CD1 3.82Å; V37-F85 HydrophobicContact CG2-CD2 4.39Å; V37-F85 HydrophobicContact CG2-CE1 3.9Å; V37-F85 HydrophobicContact CG2-CE2 4.47Å; V37-F85 HydrophobicContact CG2-CG 4.07Å; V37-F85 HydrophobicContact CG2-CZ 4.24Å |
| 38 | G | 95.1 | Very high | 88.9 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I78 R80 | G38-I78 PolarHBondContact N-O 3.06Å; G38-R80 WeakPolarHBondContact CA-O 3.13Å; G38-R80 PolarHBondContact N-O 3.06Å; G38-R80 VanDerWaalsContact N-O 3.17Å |
| 39 | G | 94.4 | Very high | 91.2 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -7.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N36 V37 | N36-G39 WeakPolarHBondContact OD1-CA 3.43Å; N36-G39 PolarHBondContact OD1-N 3.06Å; N36-G39 VanDerWaalsContact OD1-N 3.15Å; V37-G39 PolarHBondContact O-N 3.42Å |
| 40 | T | 97.3 | Very high | 92.9 | Very high | 65 Ų | 65 | 54 Ų | 54 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.9 | 176.6 | -58 | 0 | 0 | 0 | 0 | 111.3 | N36 V37 F42 P82 | N36-T40 WeakPolarHBondContact CA-O 3.46Å; N36-T40 PolarHBondContact OD1-N 3.05Å; V37-T40 PolarHBondContact N-O 3.49Å; V37-T40 PolarHBondContact O-N 3.44Å; T40-F42 HydrophobicContact CG2-CD2 4.36Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.9Å; T40-F42 WeakPolarHBondContact O-CD2 3.44Å; T40-P82 HydrophobicContact CG2-CB 4.27Å; T40-P82 WeakPolarHBondContact OG1-CB 3.27Å; T40-P82 WeakPolarHBondContact OG1-CG 3.49Å |
| 41 | V | 96.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | L35 N36 | L35-V41 CarbonylContact O-C 3.59Å; L35-V41 VanDerWaalsContact O-CA 3.31Å; L35-V41 WeakPolarHBondContact O-CA 3.4Å; N36-V41 HydrophobicContact CB-CG2 4.49Å |
| 42 | F | 97.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 18% | 0.18 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137 | 171.7 | -62.8 | -94.5 | 0 | 0 | 0 | 110.4 | R34 L35 V37 T40 P82 F85 L89 | R34-F42 WeakPolarHBondContact CA-O 3.27Å; L35-F42 HydrophobicContact CB-CB 4.39Å; L35-F42 PolarHBondContact N-O 3.45Å; L35-F42 PolarHBondContact O-N 3.5Å; V37-F42 HydrophobicContact CB-CD2 4.13Å; V37-F42 HydrophobicContact CB-CE2 3.94Å; V37-F42 HydrophobicContact CG2-CD2 3.87Å; V37-F42 HydrophobicContact CG2-CE2 4.14Å; T40-F42 HydrophobicContact CG2-CD2 4.36Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.9Å; T40-F42 WeakPolarHBondContact O-CD2 3.44Å; F42-P82 HydrophobicContact CE2-CB 3.96Å; F42-P82 HydrophobicContact CZ-CB 4.15Å; F42-F85 HydrophobicContact CB-CD1 4.48Å; F42-F85 HydrophobicContact CB-CE1 4.06Å; F42-F85 AromaticContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CE1 4.15Å; F42-F85 AromaticContact CD2-CD1 3.61Å; F42-F85 HydrophobicContact CD2-CD1 3.61Å; F42-F85 AromaticContact CD2-CE1 3.94Å; F42-F85 HydrophobicContact CD2-CE1 3.94Å; F42-F85 AromaticContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE2-CB 4.48Å; F42-F85 AromaticContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CE1 4.45Å; F42-F85 HydrophobicContact CE2-CG 4.48Å; F42-F85 AromaticContact CG-CD1 3.7Å; F42-F85 HydrophobicContact CG-CD1 3.7Å; F42-F85 AromaticContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CZ-CB 4.29Å; F42-F85 AromaticContact CZ-CD1 3.8Å; F42-F85 HydrophobicContact CZ-CD1 3.8Å; F42-L89 HydrophobicContact CB-CD2 4.12Å; F42-L89 HydrophobicContact CD1-CD2 4.05Å; F42-L89 HydrophobicContact CG-CD2 4.45Å |
| 43 | L | 95.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.6 | 175.6 | -173.1 | 68.9 | 0 | 0 | 0 | 110.1 | W32 R34 R93 | W32-L43 HydrophobicContact CB-CD1 4.38Å; W32-L43 HydrophobicContact CE3-CD1 4.28Å; W32-L43 HydrophobicContact CE3-CD2 4.23Å; W32-L43 HydrophobicContact CE3-CG 3.89Å; W32-L43 HydrophobicContact CZ3-CD2 4.47Å; W32-L43 HydrophobicContact CZ3-CG 4.29Å; R34-L43 HydrophobicContact CG-CD1 3.66Å; L43-R93 PolarHBondContact O-NH2 2.96Å |
| 44 | T | 95.6 | Very high | 94 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -175.9 | 180 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | W32 V33 L35 T48 L49 L89 | W32-T44 CarbonylContact C-O 3.52Å; W32-T44 WeakPolarHBondContact CA-O 2.93Å; V33-T44 PolarHBondContact N-O 3.07Å; V33-T44 PolarHBondContact O-N 3.23Å; L35-T44 HydrophobicContact CD1-CG2 4.39Å; T44-T48 WeakPolarHBondContact OG1-CB 3.3Å; T44-L49 HydrophobicContact CG2-CD1 4.05Å; T44-L49 HydrophobicContact CG2-CD2 3.8Å; T44-L49 HydrophobicContact CG2-CG 3.86Å; T44-L89 HydrophobicContact CG2-CD1 4.11Å |
| 45 | T | 94.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 154.4 | 176.6 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | K31 W32 Q47 T48 L49 | K31-T45 HydrophobicContact CG-CG2 4.25Å; K31-T45 CarbonylContact O-C 3.55Å; K31-T45 WeakPolarHBondContact O-CA 3.28Å; K31-T45 WeakPolarHBondContact O-CB 3.44Å; W32-T45 HydrophobicContact CD2-CG2 4.22Å; W32-T45 HydrophobicContact CE3-CG2 3.92Å; W32-T45 HydrophobicContact CH2-CG2 4.23Å; W32-T45 HydrophobicContact CZ3-CG2 3.93Å; T45-Q47 PolarHBondContact O-N 3.17Å; T45-T48 WeakPolarHBondContact O-CB 3.4Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.11Å; T45-T48 PolarHBondContact OG1-N 3.08Å; T45-T48 PolarHBondContact OG1-OG1 3.15Å; T45-L49 PolarHBondContact O-N 3.48Å |
| 46 | R | 91.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -43.5 | 172.5 | -69.6 | -176.1 | -176.7 | -88 | -8.9 | 111.3 | G30 K31 V33 T48 L49 C50 C61 | G30-R46 PolarHBondContact O-NE 3.48Å; K31-R46 PolarHBondContact O-N 3.09Å; V33-R46 HydrophobicContact CG2-CB 4.34Å; V33-R46 HydrophobicContact CG2-CG 3.32Å; R46-T48 PolarHBondContact O-N 3.29Å; R46-L49 PolarHBondContact O-N 3.1Å; R46-C50 PolarHBondContact O-N 3.05Å; R46-C50 PolarHBondContact O-SG 3.45Å; R46-C61 PolarHBondContact NH1-O 3.29Å |
| 47 | Q | 92.8 | Very high | 93.6 | Very high | 161 Ų | 161 | 55.4 Ų | 55.4 | 75% | 0.752 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.9 | -40.3 | 179 | -175.6 | -179.1 | -0.7 | 0 | 0 | 112.6 | T45 R51 | T45-Q47 PolarHBondContact O-N 3.17Å; Q47-R51 PolarHBondContact O-N 3.12Å |
| 48 | T | 95.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | T44 T45 R46 R51 L89 L92 R93 | T44-T48 WeakPolarHBondContact OG1-CB 3.3Å; T45-T48 WeakPolarHBondContact O-CB 3.4Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.11Å; T45-T48 PolarHBondContact OG1-N 3.08Å; T45-T48 PolarHBondContact OG1-OG1 3.15Å; R46-T48 PolarHBondContact O-N 3.29Å; T48-R51 WeakPolarHBondContact O-CB 3.48Å; T48-R51 PolarHBondContact O-N 2.83Å; T48-L89 HydrophobicContact CG2-CD1 4.28Å; T48-L92 HydrophobicContact CG2-CB 3.8Å; T48-R93 HydrophobicContact CG2-CB 4.49Å; T48-R93 HydrophobicContact CG2-CG 3.66Å |
| 49 | L | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | -178.4 | -59.5 | -179.7 | 0 | 0 | 0 | 112.6 | V33 L35 T44 T45 R46 R51 L57 S58 C61 L89 | V33-L49 HydrophobicContact CB-CD1 4.18Å; V33-L49 HydrophobicContact CG1-CD1 3.9Å; V33-L49 HydrophobicContact CG2-CD1 4.44Å; L35-L49 HydrophobicContact CD1-CD1 4.35Å; L35-L49 HydrophobicContact CD1-CD2 3.98Å; L35-L49 HydrophobicContact CD2-CD1 4.28Å; T44-L49 HydrophobicContact CG2-CD1 4.05Å; T44-L49 HydrophobicContact CG2-CD2 3.8Å; T44-L49 HydrophobicContact CG2-CG 3.86Å; T45-L49 PolarHBondContact O-N 3.48Å; R46-L49 PolarHBondContact O-N 3.1Å; L49-R51 PolarHBondContact O-N 2.93Å; L49-L57 HydrophobicContact CB-CB 4.35Å; L49-L57 HydrophobicContact CD2-CB 4.09Å; L49-L57 HydrophobicContact CD2-CD1 4.23Å; L49-L57 HydrophobicContact CD2-CD2 4.43Å; L49-L57 HydrophobicContact CD2-CG 4.48Å; L49-S58 WeakPolarHBondContact O-CA 3.4Å; L49-S58 PolarHBondContact O-N 3.46Å; L49-C61 HydrophobicContact CB-CB 4.05Å; L49-L89 HydrophobicContact CD2-CD1 4.36Å |
| 50 | C | 92.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 55 Ų | 55 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 8.2 | 178.3 | -41.7 | 0 | 0 | 0 | 0 | 113.5 | R46 E52 C61 | R46-C50 PolarHBondContact O-N 3.05Å; R46-C50 PolarHBondContact O-SG 3.45Å; C50-E52 VanDerWaalsContact C-N 3.35Å; C50-C61 WeakPolarHBondContact CB-SG 3.43Å; C50-C61 WeakPolarHBondContact SG-CB 3.25Å; C50-C61 CovalentContact SG-SG 2.04Å; C50-C61 PolarHBondContact SG-SG 2.89Å |
| 51 | R | 92.4 | Very high | 91.4 | Very high | 130 Ų | 130 | 52.1 Ų | 52.1 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -39.3 | -179.9 | -174.3 | 173.3 | -176.2 | 158.9 | 1 | 112.1 | Q47 T48 L49 L92 R93 | Q47-R51 PolarHBondContact O-N 3.12Å; T48-R51 WeakPolarHBondContact O-CB 3.48Å; T48-R51 PolarHBondContact O-N 2.83Å; L49-R51 PolarHBondContact O-N 2.93Å; R51-L92 HydrophobicContact CB-CD2 4.4Å; R51-L92 WeakPolarHBondContact CD-O 3.37Å; R51-L92 PolarHBondContact NH1-O 3.17Å; R51-R93 PolarHBondContact NH1-O 3.1Å |
| 52 | E | 92.8 | Very high | 90.5 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -107 | 103.3 | 174.8 | -178.8 | 52.7 | -110.6 | 0 | 0 | 109.3 | C50 K54 S55 S58 L92 P119 | C50-E52 VanDerWaalsContact C-N 3.35Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-S55 VanDerWaalsContact O-CB 3.3Å; E52-S55 WeakPolarHBondContact O-CB 3.29Å; E52-S55 PolarHBondContact O-N 3.39Å; E52-S55 PolarHBondContact O-OG 3.18Å; E52-S58 WeakPolarHBondContact O-CB 3.39Å; E52-L92 HydrophobicContact CB-CD2 4.3Å; E52-P119 WeakPolarHBondContact OE2-CD 3.37Å |
| 53 | Q | 88.7 | Confident | 89 | Confident | 119 Ų | 119 | 53.7 Ų | 53.7 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.1 | -169.8 | -70.3 | -67.2 | -6.2 | 0 | 0 | 113.4 | S55 S58 | Q53-S55 VanDerWaalsContact C-N 3.33Å; Q53-S58 PolarHBondContact OE1-OG 3.4Å |
| 54 | K | 88.3 | Confident | 87.3 | Confident | 165 Ų | 165 | 55 Ų | 55 | 72% | 0.717 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.3 | 179.8 | -62.2 | 179.7 | -177.7 | 176.2 | 0 | 113.2 | E52 | E52-K54 PolarHBondContact O-N 3.46Š|
| 55 | S | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -70.8 | 151.9 | -176.8 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | E52 Q53 L57 S58 R59 Y115 | E52-S55 VanDerWaalsContact O-CB 3.3Å; E52-S55 WeakPolarHBondContact O-CB 3.29Å; E52-S55 PolarHBondContact O-N 3.39Å; E52-S55 PolarHBondContact O-OG 3.18Å; Q53-S55 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.48Å; S55-S58 PolarHBondContact O-N 3.45Å; S55-S58 WeakPolarHBondContact OG-CB 3.45Å; S55-S58 PolarHBondContact OG-N 2.89Å; S55-R59 PolarHBondContact O-N 2.98Å; S55-Y115 CarbonylContact C-O 3.5Å; S55-Y115 WeakPolarHBondContact CA-O 3.45Å; S55-Y115 WeakPolarHBondContact CB-O 3.28Å |
| 56 | F | 91.5 | Very high | 83.3 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.6 | -40.3 | 168.7 | 169.8 | -98 | 0 | 0 | 0 | 111.8 | S58 R59 L60 L66 I78 F114 Y115 | F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.7Å; F56-R59 PolarHBondContact O-N 3.43Å; F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD1-CG 4.49Å; F56-L60 HydrophobicContact CE1-CD1 3.55Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.09Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 PolarHBondContact O-N 3.16Å; F56-L66 HydrophobicContact CD2-CD1 4.36Å; F56-L66 HydrophobicContact CE2-CD1 4.12Å; F56-I78 HydrophobicContact CE1-CD1 4.23Å; F56-I78 HydrophobicContact CE1-CG1 4.32Å; F56-F114 HydrophobicContact CD1-CE1 4.45Å; F56-Y115 AromaticContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CE1 4.22Å; F56-Y115 PolarHBondContact N-O 3.49Å |
| 57 | L | 92 | Very high | 81.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -33.1 | -178.9 | -64.7 | 174.7 | 0 | 0 | 0 | 112.9 | L35 L49 S55 L60 C61 I78 F85 L92 Y115 | L35-L57 HydrophobicContact CD1-CD2 4.33Å; L49-L57 HydrophobicContact CB-CB 4.35Å; L49-L57 HydrophobicContact CD2-CB 4.09Å; L49-L57 HydrophobicContact CD2-CD1 4.23Å; L49-L57 HydrophobicContact CD2-CD2 4.43Å; L49-L57 HydrophobicContact CD2-CG 4.48Å; S55-L57 PolarHBondContact O-N 3.48Å; L57-L60 HydrophobicContact CD2-CD1 4.19Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.21Å; L57-C61 PolarHBondContact O-N 3.07Å; L57-I78 HydrophobicContact CD2-CD1 4.19Å; L57-F85 HydrophobicContact CD1-CE2 4.16Å; L57-F85 HydrophobicContact CD1-CZ 4.45Å; L57-F85 HydrophobicContact CD2-CE2 4.4Å; L57-F85 HydrophobicContact CD2-CZ 4.5Å; L57-L92 HydrophobicContact CD1-CD1 3.56Å; L57-Y115 HydrophobicContact CD1-CD1 4.05Å; L57-Y115 HydrophobicContact CD1-CG 4.22Å; L57-Y115 HydrophobicContact CD2-CD1 3.86Å; L57-Y115 HydrophobicContact CD2-CE1 4.01Å; L57-Y115 HydrophobicContact CG-CD1 3.74Å; L57-Y115 HydrophobicContact CG-CE1 4.39Å; L57-Y115 HydrophobicContact CG-CG 4.33Å |
| 58 | S | 90 | Very high | 80 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | L49 E52 Q53 S55 F56 L60 C61 Q62 | L49-S58 WeakPolarHBondContact O-CA 3.4Å; L49-S58 PolarHBondContact O-N 3.46Å; E52-S58 WeakPolarHBondContact O-CB 3.39Å; Q53-S58 PolarHBondContact OE1-OG 3.4Å; S55-S58 PolarHBondContact O-N 3.45Å; S55-S58 WeakPolarHBondContact OG-CB 3.45Å; S55-S58 PolarHBondContact OG-N 2.89Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.7Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.17Å; S58-C61 PolarHBondContact O-N 3.33Å; S58-C61 PolarHBondContact O-SG 3.04Å; S58-Q62 WeakPolarHBondContact O-CG 3.29Å; S58-Q62 PolarHBondContact O-N 3.38Å; S58-Q62 PolarHBondContact OG-NE2 3.09Å |
| 59 | R | 87.9 | Confident | 79.2 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 174.7 | -67.9 | -175.1 | -73.5 | 138.6 | -4.7 | 112 | S55 F56 C61 Q62 G63 L66 | S55-R59 PolarHBondContact O-N 2.98Å; F56-R59 PolarHBondContact O-N 3.43Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.28Å; R59-Q62 PolarHBondContact O-N 3.14Å; R59-G63 PolarHBondContact O-N 3.3Å; R59-L66 HydrophobicContact CB-CD1 3.58Å; R59-L66 HydrophobicContact CB-CG 4.4Å; R59-L66 VanDerWaalsContact NH1-CD2 3.31Å |
| 60 | L | 82.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -36.8 | 172.6 | -65.9 | 177.1 | 0 | 0 | 0 | 112.8 | F56 L57 S58 L66 Y76 I78 | F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD1-CG 4.49Å; F56-L60 HydrophobicContact CE1-CD1 3.55Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.09Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 PolarHBondContact O-N 3.16Å; L57-L60 HydrophobicContact CD2-CD1 4.19Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.21Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.17Å; L60-L66 HydrophobicContact CD2-CD1 4.05Å; L60-L66 HydrophobicContact CG-CD1 4.45Å; L60-Y76 HydrophobicContact CB-CE1 4.45Å; L60-Y76 HydrophobicContact CD2-CD1 3.93Å; L60-Y76 HydrophobicContact CD2-CE1 4.23Å; L60-Y76 PolarHBondContact O-OH 2.93Å; L60-I78 HydrophobicContact CD1-CD1 4.18Å |
| 61 | C | 75.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74 | -33.4 | -178.5 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | R46 L49 C50 L57 S58 R59 G63 | R46-C61 PolarHBondContact NH1-O 3.29Å; L49-C61 HydrophobicContact CB-CB 4.05Å; C50-C61 WeakPolarHBondContact CB-SG 3.43Å; C50-C61 WeakPolarHBondContact SG-CB 3.25Å; C50-C61 CovalentContact SG-SG 2.04Å; C50-C61 PolarHBondContact SG-SG 2.89Å; L57-C61 PolarHBondContact O-N 3.07Å; S58-C61 PolarHBondContact O-N 3.33Å; S58-C61 PolarHBondContact O-SG 3.04Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.28Å; C61-G63 VanDerWaalsContact C-N 3.27Å; C61-G63 PolarHBondContact O-N 3.38Å |
| 62 | Q | 78.4 | Confident | 78.5 | Confident | 90 Ų | 90 | 80.9 Ų | 80.9 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -78.9 | -10 | -176.7 | -68.3 | 176.4 | 29.1 | 0 | 0 | 113.2 | S58 R59 E64 | S58-Q62 WeakPolarHBondContact O-CG 3.29Å; S58-Q62 PolarHBondContact O-N 3.38Å; S58-Q62 PolarHBondContact OG-NE2 3.09Å; R59-Q62 PolarHBondContact O-N 3.14Å; Q62-E64 PolarHBondContact O-N 3.34Å |
| 63 | G | 66.6 | Low | 78.2 | Confident | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 16.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R59 C61 E65 | R59-G63 PolarHBondContact O-N 3.3Å; C61-G63 VanDerWaalsContact C-N 3.27Å; C61-G63 PolarHBondContact O-N 3.38Å; G63-E65 PolarHBondContact O-N 3.01Å |
| 64 | E | 59.5 | Low | 78 | Confident | 121 Ų | 121 | 78.2 Ų | 78.2 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | trans | -58.2 | 130 | 163.3 | -134.1 | 177.7 | -159.8 | 0 | 0 | 106.3 | Q62 L66 | Q62-E64 PolarHBondContact O-N 3.34Å; E64-L66 PolarHBondContact O-N 2.96Å | ||
| 65 | E | 50.9 | Low | 78.2 | Confident | 191 Ų | 191 | 70.3 Ų | 70.3 | 89% | 0.893 | 36% | 0.359 | S | S | * | . | trans | -63.2 | 66.4 | -170.9 | -168.7 | 168.1 | -159.8 | 0 | 0 | 111.7 | G63 | G63-E65 PolarHBondContact O-N 3.01Š| ||
| 66 | L | 54.2 | Low | 78.2 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | trans | -72.7 | 130.9 | 154.4 | -60.6 | 179.7 | 0 | 0 | 0 | 104.9 | F56 R59 L60 E64 S68 | F56-L66 HydrophobicContact CD2-CD1 4.36Å; F56-L66 HydrophobicContact CE2-CD1 4.12Å; R59-L66 HydrophobicContact CB-CD1 3.58Å; R59-L66 HydrophobicContact CB-CG 4.4Å; R59-L66 VanDerWaalsContact NH1-CD2 3.31Å; L60-L66 HydrophobicContact CD2-CD1 4.05Å; L60-L66 HydrophobicContact CG-CD1 4.45Å; E64-L66 PolarHBondContact O-N 2.96Å; L66-S68 PolarHBondContact O-N 2.86Å | ||
| 67 | Q | 54 | Low | 78.2 | Confident | 193 Ų | 193 | 72.2 Ų | 72.2 | 90% | 0.902 | 37% | 0.37 | S | S | * | . | trans | -63.9 | 54.3 | 164.6 | -59 | -178.7 | -73.7 | 0 | 0 | 109.3 | D69 | Q67-D69 PolarHBondContact O-N 3.48Š| ||
| 68 | S | 61.8 | Low | 78.3 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | trans | -77.1 | 106.4 | 176.4 | 60.9 | 0 | 0 | 0 | 0 | 105.7 | L66 R70 Y76 | L66-S68 PolarHBondContact O-N 2.86Å; S68-R70 PolarHBondContact O-N 2.68Å; S68-Y76 VanDerWaalsContact OG-CD1 3.31Å; S68-Y76 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y76 WeakPolarHBondContact OG-CE1 3.47Å | ||
| 69 | D | 78 | Confident | 78.5 | Confident | 116 Ų | 116 | 80.2 Ų | 80.2 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | trans | -54.1 | 128.4 | 170.8 | -64.5 | -38.5 | 0 | 0 | 0 | 107.6 | Q67 L77 | Q67-D69 PolarHBondContact O-N 3.48Å; D69-L77 HydrophobicContact CB-CB 4.19Å; D69-L77 HydrophobicContact CB-CD1 3.63Å; D69-L77 WeakPolarHBondContact O-CB 3.13Å; D69-L77 PolarHBondContact O-N 2.84Å | ||
| 70 | R | 87.7 | Confident | 78.9 | Confident | 140 Ų | 140 | 79.4 Ų | 79.4 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -108.4 | 139.5 | 169.5 | -68.1 | -173.7 | -176 | 153.6 | 3.7 | 108.3 | S68 A75 Y76 | S68-R70 PolarHBondContact O-N 2.68Å; R70-A75 WeakPolarHBondContact CA-O 3.41Å; R70-Y76 HydrophobicContact CG-CD1 4.14Å; R70-Y76 VanDerWaalsContact NH2-CZ 3.26Å; R70-Y76 PolarHBondContact NH2-OH 3.28Å |
| 71 | D | 87.3 | Confident | 79.5 | Confident | 37 Ų | 37 | 82.3 Ų | 82.3 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | trans | -74.8 | 174.8 | 172.4 | 67.3 | 19.4 | 0 | 0 | 0 | 111.8 | T73 G74 A75 L77 | D71-T73 PolarHBondContact O-N 3.44Å; D71-T73 VanDerWaalsContact O-N 3.08Å; D71-T73 VanDerWaalsContact OD1-CA 3.3Å; D71-T73 WeakPolarHBondContact OD1-CA 3.12Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 PolarHBondContact OD1-N 2.79Å; D71-T73 PolarHBondContact OD1-OG1 2.86Å; D71-T73 PolarHBondContact OD2-OG1 3.16Å; D71-G74 PolarHBondContact O-N 3.31Å; D71-G74 PolarHBondContact OD1-N 3.34Å; D71-A75 PolarHBondContact N-O 3.48Å; D71-A75 WeakPolarHBondContact OD1-CB 3.45Å; D71-A75 PolarHBondContact OD1-N 3.5Å; D71-A75 WeakPolarHBondContact OD2-CB 3.42Å; D71-L77 HydrophobicContact CB-CD1 4.24Å; D71-L77 HydrophobicContact CB-CD2 4.47Å; D71-L77 HydrophobicContact CB-CG 4.45Å | ||
| 72 | E | 87.6 | Confident | 80.6 | Confident | 201 Ų | 201 | 83.3 Ų | 83.3 | 94% | 0.939 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.3 | 176.3 | 60.3 | -177.9 | 179.2 | 0 | 0 | 113.6 | G74 | E72-G74 VanDerWaalsContact C-N 3.34Š|
| 73 | T | 86.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 83 Ų | 83 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | 177.9 | 83.2 | 0 | 0 | 0 | 0 | 113.2 | R34 D71 | R34-T73 PolarHBondContact NH1-OG1 3.09Å; D71-T73 PolarHBondContact O-N 3.44Å; D71-T73 VanDerWaalsContact O-N 3.08Å; D71-T73 VanDerWaalsContact OD1-CA 3.3Å; D71-T73 WeakPolarHBondContact OD1-CA 3.12Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 PolarHBondContact OD1-N 2.79Å; D71-T73 PolarHBondContact OD1-OG1 2.86Å; D71-T73 PolarHBondContact OD2-OG1 3.16Å |
| 74 | G | 86.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | trans | 79 | 14.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D71 E72 | D71-G74 PolarHBondContact O-N 3.31Å; D71-G74 PolarHBondContact OD1-N 3.34Å; E72-G74 VanDerWaalsContact C-N 3.34Å | ||
| 75 | A | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 139.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R34 N36 R70 D71 L77 | R34-A75 HydrophobicContact CB-CB 3.58Å; R34-A75 WeakPolarHBondContact O-CA 3.21Å; N36-A75 HydrophobicContact CB-CB 4.17Å; R70-A75 WeakPolarHBondContact CA-O 3.41Å; D71-A75 PolarHBondContact N-O 3.48Å; D71-A75 WeakPolarHBondContact OD1-CB 3.45Å; D71-A75 PolarHBondContact OD1-N 3.5Å; D71-A75 WeakPolarHBondContact OD2-CB 3.42Å; A75-L77 PolarHBondContact O-N 2.76Å |
| 76 | Y | 91.9 | Very high | 86.9 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.2 | 175.2 | -66.4 | -90.4 | 0 | 0 | 0 | 110.2 | V33 R34 L35 N36 L60 S68 R70 | V33-Y76 HydrophobicContact CG1-CD2 3.68Å; V33-Y76 HydrophobicContact CG1-CE2 3.66Å; R34-Y76 PolarHBondContact O-N 3.49Å; L35-Y76 HydrophobicContact CD2-CD2 4.07Å; L35-Y76 HydrophobicContact CD2-CG 4.36Å; N36-Y76 PolarHBondContact N-O 3.44Å; L60-Y76 HydrophobicContact CB-CE1 4.45Å; L60-Y76 HydrophobicContact CD2-CD1 3.93Å; L60-Y76 HydrophobicContact CD2-CE1 4.23Å; L60-Y76 PolarHBondContact O-OH 2.93Å; S68-Y76 VanDerWaalsContact OG-CD1 3.31Å; S68-Y76 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y76 WeakPolarHBondContact OG-CE1 3.47Å; R70-Y76 HydrophobicContact CG-CD1 4.14Å; R70-Y76 VanDerWaalsContact NH2-CZ 3.26Å; R70-Y76 PolarHBondContact NH2-OH 3.28Å |
| 77 | L | 92.7 | Very high | 89 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 39% | 0.387 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 130.6 | 179.3 | -68.4 | 150.3 | 0 | 0 | 0 | 110.2 | N36 D69 D71 A75 | N36-L77 HydrophobicContact CB-CD2 4.17Å; N36-L77 CarbonylContact O-C 3.42Å; N36-L77 WeakPolarHBondContact O-CA 3.17Å; D69-L77 HydrophobicContact CB-CB 4.19Å; D69-L77 HydrophobicContact CB-CD1 3.63Å; D69-L77 WeakPolarHBondContact O-CB 3.13Å; D69-L77 PolarHBondContact O-N 2.84Å; D71-L77 HydrophobicContact CB-CD1 4.24Å; D71-L77 HydrophobicContact CB-CD2 4.47Å; D71-L77 HydrophobicContact CB-CG 4.45Å; A75-L77 PolarHBondContact O-N 2.76Å |
| 78 | I | 93.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 116.1 | 179.3 | -59.3 | 174.5 | 0 | 0 | 0 | 107.4 | L35 N36 V37 G38 F56 L57 L60 R80 F114 Y115 | L35-I78 HydrophobicContact CD2-CD1 4.41Å; N36-I78 PolarHBondContact O-N 3.23Å; V37-I78 CarbonylContact C-O 3.58Å; V37-I78 WeakPolarHBondContact CA-O 3.42Å; V37-I78 HydrophobicContact CG1-CB 4.49Å; V37-I78 HydrophobicContact CG1-CG2 4.34Å; V37-I78 HydrophobicContact CG2-CB 4.2Å; V37-I78 HydrophobicContact CG2-CD1 4.1Å; G38-I78 PolarHBondContact N-O 3.06Å; F56-I78 HydrophobicContact CE1-CD1 4.23Å; F56-I78 HydrophobicContact CE1-CG1 4.32Å; L57-I78 HydrophobicContact CD2-CD1 4.19Å; L60-I78 HydrophobicContact CD1-CD1 4.18Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 HydrophobicContact CG2-CB 3.95Å; I78-R80 HydrophobicContact CG2-CG 3.72Å; I78-R80 PolarHBondContact O-N 2.94Å; I78-F114 HydrophobicContact CG2-CE1 4.36Å; I78-Y115 HydrophobicContact CD1-CE1 4.46Å; I78-Y115 HydrophobicContact CG2-CE1 4.23Å |
| 79 | D | 94.9 | Very high | 92.8 | Very high | 159 Ų | 159 | 56.7 Ų | 56.7 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | trans | -83.1 | 69 | 179.1 | -170.1 | 22.3 | 0 | 0 | 0 | 110.9 | ||||
| 80 | R | 96.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -140.5 | 165.4 | 179.3 | -65.2 | -58.8 | -63.1 | -178.6 | -4.2 | 110.9 | V37 G38 I78 P82 E111 F114 | V37-R80 HydrophobicContact CG1-CB 4.06Å; V37-R80 WeakPolarHBondContact CG1-O 3.47Å; G38-R80 WeakPolarHBondContact CA-O 3.13Å; G38-R80 PolarHBondContact N-O 3.06Å; G38-R80 VanDerWaalsContact N-O 3.17Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 HydrophobicContact CG2-CB 3.95Å; I78-R80 HydrophobicContact CG2-CG 3.72Å; I78-R80 PolarHBondContact O-N 2.94Å; R80-P82 WeakPolarHBondContact O-CD 3.3Å; R80-E111 WeakPolarHBondContact CB-OE2 3.32Å; R80-E111 IonicContact CZ-OE1 3.18Å; R80-E111 IonicContact NE-OE1 2.95Å; R80-E111 PolarHBondContact NE-OE1 3.18Å; R80-E111 IonicContact NE-OE2 3.32Å; R80-E111 PolarHBondContact NE-OE2 3.31Å; R80-E111 IonicContact NH2-OE1 2.67Å; R80-E111 PolarHBondContact NH2-OE1 3.22Å; R80-F114 HydrophobicContact CG-CD1 3.81Å; R80-F114 HydrophobicContact CG-CE1 3.5Å; R80-F114 VanDerWaalsContact CG-CE1 3.5Å; R80-F114 HydrophobicContact CG-CE2 4.31Å; R80-F114 HydrophobicContact CG-CG 4.35Å; R80-F114 HydrophobicContact CG-CZ 3.78Å |
| 81 | D | 95.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | trans | -71.9 | 119.5 | 179.6 | -170.7 | -19 | 0 | 0 | 0 | 111.1 | T83 Y84 | D81-T83 PolarHBondContact O-N 2.79Å; D81-T83 WeakPolarHBondContact OD1-CB 3.24Å; D81-T83 PolarHBondContact OD1-N 2.95Å; D81-T83 PolarHBondContact OD1-OG1 2.74Å; D81-Y84 HydrophobicContact CB-CD2 4.23Å | ||
| 82 | P | 97.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -23 | 177.7 | 26 | -33.6 | 0 | 0 | 0 | 114.1 | V37 T40 F42 R80 Y84 F85 | V37-P82 WeakPolarHBondContact O-CB 3.47Å; T40-P82 HydrophobicContact CG2-CB 4.27Å; T40-P82 WeakPolarHBondContact OG1-CB 3.27Å; T40-P82 WeakPolarHBondContact OG1-CG 3.49Å; F42-P82 HydrophobicContact CE2-CB 3.96Å; F42-P82 HydrophobicContact CZ-CB 4.15Å; R80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-Y84 VanDerWaalsContact C-N 3.31Å; P82-Y84 PolarHBondContact O-N 2.85Å; P82-F85 PolarHBondContact O-N 2.81Å |
| 83 | T | 96.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.2 | -43.7 | -175.3 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | D81 | D81-T83 PolarHBondContact O-N 2.79Å; D81-T83 WeakPolarHBondContact OD1-CB 3.24Å; D81-T83 PolarHBondContact OD1-N 2.95Å; D81-T83 PolarHBondContact OD1-OG1 2.74Å |
| 84 | Y | 97.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -90.2 | -8.5 | -178.2 | -60.6 | -69.2 | 0 | 0 | 0 | 113.3 | D81 P82 P87 I88 M103 A104 V108 | D81-Y84 HydrophobicContact CB-CD2 4.23Å; P82-Y84 VanDerWaalsContact C-N 3.31Å; P82-Y84 PolarHBondContact O-N 2.85Å; Y84-P87 WeakPolarHBondContact O-CD 3.45Å; Y84-I88 WeakPolarHBondContact O-CG1 3.1Å; Y84-M103 HydrophobicContact CD1-CG 4.07Å; Y84-M103 HydrophobicContact CD1-SD 4.39Å; Y84-M103 HydrophobicContact CE1-CG 4.03Å; Y84-A104 HydrophobicContact CE1-CB 4.23Å; Y84-A104 WeakPolarHBondContact CE1-O 3.45Å; Y84-V108 HydrophobicContact CD1-CG2 3.72Å |
| 85 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.2 | -29 | -178.4 | -174 | -111.6 | 0 | 0 | 0 | 113.7 | L35 V37 F42 L57 P82 I88 L89 Y115 | L35-F85 HydrophobicContact CD1-CE1 4.06Å; L35-F85 HydrophobicContact CD1-CZ 3.67Å; V37-F85 HydrophobicContact CG1-CB 4.23Å; V37-F85 HydrophobicContact CG1-CG 4.3Å; V37-F85 HydrophobicContact CG2-CD1 3.82Å; V37-F85 HydrophobicContact CG2-CD2 4.39Å; V37-F85 HydrophobicContact CG2-CE1 3.9Å; V37-F85 HydrophobicContact CG2-CE2 4.47Å; V37-F85 HydrophobicContact CG2-CG 4.07Å; V37-F85 HydrophobicContact CG2-CZ 4.24Å; F42-F85 HydrophobicContact CB-CD1 4.48Å; F42-F85 HydrophobicContact CB-CE1 4.06Å; F42-F85 AromaticContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CE1 4.15Å; F42-F85 AromaticContact CD2-CD1 3.61Å; F42-F85 HydrophobicContact CD2-CD1 3.61Å; F42-F85 AromaticContact CD2-CE1 3.94Å; F42-F85 HydrophobicContact CD2-CE1 3.94Å; F42-F85 AromaticContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE2-CB 4.48Å; F42-F85 AromaticContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CE1 4.45Å; F42-F85 HydrophobicContact CE2-CG 4.48Å; F42-F85 AromaticContact CG-CD1 3.7Å; F42-F85 HydrophobicContact CG-CD1 3.7Å; F42-F85 AromaticContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CZ-CB 4.29Å; F42-F85 AromaticContact CZ-CD1 3.8Å; F42-F85 HydrophobicContact CZ-CD1 3.8Å; L57-F85 HydrophobicContact CD1-CE2 4.16Å; L57-F85 HydrophobicContact CD1-CZ 4.45Å; L57-F85 HydrophobicContact CD2-CE2 4.4Å; L57-F85 HydrophobicContact CD2-CZ 4.5Å; P82-F85 PolarHBondContact O-N 2.81Å; F85-I88 HydrophobicContact CD2-CB 4.35Å; F85-I88 WeakPolarHBondContact O-CB 3.42Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.13Å; F85-L89 HydrophobicContact CD1-CB 4.46Å; F85-L89 HydrophobicContact CE1-CB 4.08Å; F85-L89 HydrophobicContact CE1-CD2 4.09Å; F85-L89 HydrophobicContact CE1-CG 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.35Å; F85-L89 PolarHBondContact O-N 3.22Å; F85-Y115 HydrophobicContact CD2-CD2 4.37Å; F85-Y115 HydrophobicContact CD2-CE1 4.36Å; F85-Y115 AromaticContact CD2-CE2 3.55Å; F85-Y115 HydrophobicContact CD2-CE2 3.55Å; F85-Y115 AromaticContact CD2-CZ 3.55Å; F85-Y115 HydrophobicContact CE2-CD2 4.45Å; F85-Y115 HydrophobicContact CE2-CE1 4.03Å; F85-Y115 AromaticContact CE2-CE2 3.9Å; F85-Y115 HydrophobicContact CE2-CE2 3.9Å; F85-Y115 AromaticContact CE2-CZ 3.68Å |
| 86 | G | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 50 Ų | 50 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -55.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I88 L89 N90 | G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 2.8Å; G86-L89 PolarHBondContact O-N 2.84Å; G86-N90 WeakPolarHBondContact O-CB 3.4Å; G86-N90 PolarHBondContact O-N 2.88Å; G86-N90 PolarHBondContact O-ND2 2.84Å |
| 87 | P | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.2 | -40.7 | 174 | -28.6 | 33.3 | 0 | 0 | 0 | 114.2 | Y84 N90 F91 L99 M103 V108 | Y84-P87 WeakPolarHBondContact O-CD 3.45Å; P87-N90 PolarHBondContact O-N 2.76Å; P87-F91 WeakPolarHBondContact O-CB 3.27Å; P87-F91 PolarHBondContact O-N 2.8Å; P87-L99 HydrophobicContact CB-CD2 3.57Å; P87-L99 HydrophobicContact CG-CD2 3.56Å; P87-M103 HydrophobicContact CG-CE 4.21Å; P87-M103 HydrophobicContact CG-SD 3.42Å; P87-M103 WeakPolarHBondContact CG-SD 3.49Å; P87-V108 HydrophobicContact CB-CG1 3.99Å; P87-V108 HydrophobicContact CG-CG2 4.27Å |
| 88 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 178.6 | -52.5 | -53.9 | 0 | 0 | 0 | 110.5 | Y84 F85 G86 N90 F91 L92 V108 E111 A112 Y115 I117 L120 | Y84-I88 WeakPolarHBondContact O-CG1 3.1Å; F85-I88 HydrophobicContact CD2-CB 4.35Å; F85-I88 WeakPolarHBondContact O-CB 3.42Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.13Å; G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 2.8Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.81Å; I88-F91 WeakPolarHBondContact O-CB 3.26Å; I88-F91 PolarHBondContact O-N 3.4Å; I88-L92 PolarHBondContact O-N 3.5Å; I88-L92 VanDerWaalsContact O-N 3.09Å; I88-V108 HydrophobicContact CD1-CG1 3.83Å; I88-E111 HydrophobicContact CD1-CB 4.12Å; I88-E111 HydrophobicContact CG1-CB 3.99Å; I88-A112 HydrophobicContact CD1-CB 3.92Å; I88-Y115 HydrophobicContact CG1-CD2 4.28Å; I88-Y115 HydrophobicContact CG2-CD2 3.89Å; I88-Y115 HydrophobicContact CG2-CG 4.45Å; I88-I117 HydrophobicContact CG2-CD1 3.22Å; I88-L120 HydrophobicContact CD1-CD2 3.53Å |
| 89 | L | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | -178.9 | -175.7 | 60.5 | 0 | 0 | 0 | 111.8 | F42 T44 T48 L49 F85 G86 L92 R93 | F42-L89 HydrophobicContact CB-CD2 4.12Å; F42-L89 HydrophobicContact CD1-CD2 4.05Å; F42-L89 HydrophobicContact CG-CD2 4.45Å; T44-L89 HydrophobicContact CG2-CD1 4.11Å; T48-L89 HydrophobicContact CG2-CD1 4.28Å; L49-L89 HydrophobicContact CD2-CD1 4.36Å; F85-L89 HydrophobicContact CD1-CB 4.46Å; F85-L89 HydrophobicContact CE1-CB 4.08Å; F85-L89 HydrophobicContact CE1-CD2 4.09Å; F85-L89 HydrophobicContact CE1-CG 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.35Å; F85-L89 PolarHBondContact O-N 3.22Å; G86-L89 PolarHBondContact O-N 2.84Å; L89-L92 PolarHBondContact O-N 2.81Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 2.56Å |
| 90 | N | 97.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.6 | -77.2 | -18.2 | 0 | 0 | 0 | 111.8 | G86 P87 I88 L92 R93 H94 | G86-N90 WeakPolarHBondContact O-CB 3.4Å; G86-N90 PolarHBondContact O-N 2.88Å; G86-N90 PolarHBondContact O-ND2 2.84Å; P87-N90 PolarHBondContact O-N 2.76Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.81Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 2.89Å; N90-R93 WeakPolarHBondContact O-CA 3.34Å; N90-R93 WeakPolarHBondContact O-CB 3.45Å; N90-R93 PolarHBondContact O-N 3.25Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; N90-H94 WeakPolarHBondContact CB-NE2 3.32Å; N90-H94 PolarHBondContact O-CD2 3.27Å; N90-H94 VanDerWaalsContact O-CD2 3.27Å; N90-H94 PolarHBondContact O-CE1 3.32Å; N90-H94 PolarHBondContact O-N 3.08Å; N90-H94 PolarHBondContact O-ND1 3.38Å; N90-H94 PolarHBondContact O-NE2 3.02Å |
| 91 | F | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 171.2 | -179.2 | -95.4 | 0 | 0 | 0 | 111.5 | P87 I88 R93 G95 I117 P119 L120 I123 | P87-F91 WeakPolarHBondContact O-CB 3.27Å; P87-F91 PolarHBondContact O-N 2.8Å; I88-F91 WeakPolarHBondContact O-CB 3.26Å; I88-F91 PolarHBondContact O-N 3.4Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å; F91-G95 WeakPolarHBondContact O-CA 3.48Å; F91-G95 PolarHBondContact O-N 3.47Å; F91-I117 HydrophobicContact CD1-CG2 3.89Å; F91-I117 HydrophobicContact CE1-CG2 3.72Å; F91-P119 HydrophobicContact CE1-CB 4.44Å; F91-P119 HydrophobicContact CZ-CB 4.04Å; F91-L120 HydrophobicContact CB-CD1 4.32Å; F91-L120 HydrophobicContact CB-CD2 4Å; F91-L120 HydrophobicContact CD1-CB 3.87Å; F91-L120 HydrophobicContact CD1-CD1 4.46Å; F91-L120 HydrophobicContact CD1-CD2 4.04Å; F91-L120 HydrophobicContact CD1-CG 4.35Å; F91-L120 HydrophobicContact CD2-CB 4.43Å; F91-L120 HydrophobicContact CD2-CD1 3.79Å; F91-L120 HydrophobicContact CE1-CB 3.79Å; F91-L120 HydrophobicContact CE2-CB 4.37Å; F91-L120 HydrophobicContact CE2-CD1 4.23Å; F91-L120 HydrophobicContact CG-CB 4.19Å; F91-L120 HydrophobicContact CG-CD1 3.92Å; F91-L120 HydrophobicContact CG-CD2 3.98Å; F91-L120 HydrophobicContact CG-CG 4.26Å; F91-L120 HydrophobicContact CZ-CB 4.05Å; F91-I123 HydrophobicContact CE2-CD1 3.79Å; F91-I123 HydrophobicContact CZ-CD1 4.27Å |
| 92 | L | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 175.3 | -64.3 | 177 | 0 | 0 | 0 | 113.3 | T48 R51 E52 L57 I88 L89 N90 I117 | T48-L92 HydrophobicContact CG2-CB 3.8Å; R51-L92 HydrophobicContact CB-CD2 4.4Å; R51-L92 WeakPolarHBondContact CD-O 3.37Å; R51-L92 PolarHBondContact NH1-O 3.17Å; E52-L92 HydrophobicContact CB-CD2 4.3Å; L57-L92 HydrophobicContact CD1-CD1 3.56Å; I88-L92 PolarHBondContact O-N 3.5Å; I88-L92 VanDerWaalsContact O-N 3.09Å; L89-L92 PolarHBondContact O-N 2.81Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 2.89Å; L92-I117 HydrophobicContact CD1-CD1 4.21Å; L92-I117 HydrophobicContact CD2-CD1 4.17Å; L92-I117 HydrophobicContact CD2-CG2 4.45Å; L92-I117 HydrophobicContact CG-CD1 4.27Å |
| 93 | R | 97.3 | Very high | 95.5 | Very high | 118 Ų | 118 | 62.1 Ų | 62.1 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.4 | -50.3 | 177.3 | -72.4 | 170.3 | 174.4 | 168.4 | -5.4 | 112.7 | L43 T48 R51 L89 N90 F91 | L43-R93 PolarHBondContact O-NH2 2.96Å; T48-R93 HydrophobicContact CG2-CB 4.49Å; T48-R93 HydrophobicContact CG2-CG 3.66Å; R51-R93 PolarHBondContact NH1-O 3.1Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 2.56Å; N90-R93 WeakPolarHBondContact O-CA 3.34Å; N90-R93 WeakPolarHBondContact O-CB 3.45Å; N90-R93 PolarHBondContact O-N 3.25Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å |
| 94 | H | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 60 Ų | 60 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -122.4 | -9 | -171.6 | 49.1 | 68.6 | 0 | 0 | 0 | 115.2 | N90 K96 | N90-H94 WeakPolarHBondContact CB-NE2 3.32Å; N90-H94 PolarHBondContact O-CD2 3.27Å; N90-H94 VanDerWaalsContact O-CD2 3.27Å; N90-H94 PolarHBondContact O-CE1 3.32Å; N90-H94 PolarHBondContact O-N 3.08Å; N90-H94 PolarHBondContact O-ND1 3.38Å; N90-H94 PolarHBondContact O-NE2 3.02Å; H94-K96 PolarHBondContact CE1-O 2.92Å; H94-K96 PolarHBondContact ND1-N 2.81Å; H94-K96 PolarHBondContact ND1-O 2.73Å |
| 95 | G | 95 | Very high | 95.3 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 79 | 21.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F91 | F91-G95 WeakPolarHBondContact O-CA 3.48Å; F91-G95 PolarHBondContact O-N 3.47Å |
| 96 | K | 95.9 | Very high | 95.2 | Very high | 150 Ų | 150 | 63.1 Ų | 63.1 | 65% | 0.652 | 32% | 0.323 | S | S | * | . | trans | -124.3 | 139.1 | 178.4 | -61.1 | -175.1 | 177.5 | -176.4 | 0 | 109.8 | H94 | H94-K96 PolarHBondContact CE1-O 2.92Å; H94-K96 PolarHBondContact ND1-N 2.81Å; H94-K96 PolarHBondContact ND1-O 2.73Å | ||
| 97 | L | 95.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | trans | -79.3 | 121.3 | 171.3 | 176.9 | 56.3 | 0 | 0 | 0 | 108.9 | L99 L120 I123 I124 | L97-L99 HydrophobicContact CD1-CD1 4.27Å; L97-L99 HydrophobicContact CD1-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CG 3.75Å; L97-L99 HydrophobicContact CG-CD2 4.45Å; L97-L99 HydrophobicContact CG-CG 4.11Å; L97-L120 HydrophobicContact CB-CD1 4.28Å; L97-L120 HydrophobicContact CD1-CD1 3.88Å; L97-L120 HydrophobicContact CD2-CD1 4.5Å; L97-L120 HydrophobicContact CG-CD1 4.44Å; L97-I123 HydrophobicContact CB-CG2 4.04Å; L97-I123 HydrophobicContact CD2-CG2 3.8Å; L97-I124 HydrophobicContact CD1-CG1 4.48Å; L97-I124 HydrophobicContact CD2-CG1 3.65Å | ||
| 98 | V | 94.9 | Very high | 95.2 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | trans | -129.3 | 115.2 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 99 | L | 94.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | trans | -118.9 | 140.7 | 178.1 | -58.1 | -171.4 | 0 | 0 | 0 | 109.4 | P87 L97 M103 E105 V108 | P87-L99 HydrophobicContact CB-CD2 3.57Å; P87-L99 HydrophobicContact CG-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CD1 4.27Å; L97-L99 HydrophobicContact CD1-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CG 3.75Å; L97-L99 HydrophobicContact CG-CD2 4.45Å; L97-L99 HydrophobicContact CG-CG 4.11Å; L99-M103 HydrophobicContact CD2-SD 4.06Å; L99-E105 HydrophobicContact CD1-CB 4.31Å; L99-E105 HydrophobicContact CD1-CG 3.68Å; L99-V108 HydrophobicContact CD1-CG2 4.41Å; L99-V108 HydrophobicContact CD2-CB 4.41Å; L99-V108 HydrophobicContact CD2-CG1 4.13Å; L99-V108 HydrophobicContact CD2-CG2 3.76Å | ||
| 100 | D | 92.8 | Very high | 95.2 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | trans | -69.6 | 156.3 | 169.1 | -64.9 | -40.1 | 0 | 0 | 0 | 110.3 | D102 M103 | D100-D102 PolarHBondContact O-N 2.86Å; D100-M103 HydrophobicContact CB-CB 4.42Å; D100-M103 PolarHBondContact O-N 3.32Å | ||
| 101 | K | 87.8 | Confident | 95.2 | Very high | 209 Ų | 209 | 66.2 Ų | 66.2 | 91% | 0.909 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -33.1 | -172.5 | -67.8 | -175.3 | 177.7 | -172 | 0 | 113.7 | ||
| 102 | D | 89.9 | Confident | 95.2 | Very high | 165 Ų | 165 | 65.3 Ų | 65.3 | 88% | 0.882 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 6.3 | -174.5 | -51.7 | -50 | 0 | 0 | 0 | 112.7 | D100 | D100-D102 PolarHBondContact O-N 2.86Š|
| 103 | M | 92.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 18% | 0.177 | 35% | 0.345 | C | S | . | . | trans | -83.6 | 124.8 | 179.7 | -173.2 | 170.4 | -74.9 | 0 | 0 | 110.4 | Y84 P87 L99 D100 E105 V108 | Y84-M103 HydrophobicContact CD1-CG 4.07Å; Y84-M103 HydrophobicContact CD1-SD 4.39Å; Y84-M103 HydrophobicContact CE1-CG 4.03Å; P87-M103 HydrophobicContact CG-CE 4.21Å; P87-M103 HydrophobicContact CG-SD 3.42Å; P87-M103 WeakPolarHBondContact CG-SD 3.49Å; L99-M103 HydrophobicContact CD2-SD 4.06Å; D100-M103 HydrophobicContact CB-CB 4.42Å; D100-M103 PolarHBondContact O-N 3.32Å; M103-E105 PolarHBondContact O-N 3.12Å; M103-V108 HydrophobicContact CG-CG2 4.02Å; M103-V108 HydrophobicContact SD-CG2 3.76Å | ||
| 104 | A | 94.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -64.9 | 123.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y84 E106 G107 V108 | Y84-A104 HydrophobicContact CE1-CB 4.23Å; Y84-A104 WeakPolarHBondContact CE1-O 3.45Å; A104-E106 VanDerWaalsContact C-N 3.29Å; A104-G107 PolarHBondContact O-N 2.72Å; A104-V108 PolarHBondContact O-N 3.31Å | ||
| 105 | E | 94.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.1 | -29.6 | -177.4 | -56 | -163.9 | 152.8 | 0 | 0 | 111.4 | L99 M103 G107 V108 L109 R127 M128 K131 | L99-E105 HydrophobicContact CD1-CB 4.31Å; L99-E105 HydrophobicContact CD1-CG 3.68Å; M103-E105 PolarHBondContact O-N 3.12Å; E105-G107 VanDerWaalsContact C-N 3.31Å; E105-G107 PolarHBondContact O-N 3.17Å; E105-V108 PolarHBondContact O-N 3.25Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.31Å; E105-R127 IonicContact OE1-CZ 3.12Å; E105-R127 IonicContact OE1-NE 3.41Å; E105-R127 PolarHBondContact OE1-NE 3.35Å; E105-R127 VanDerWaalsContact OE1-NE 3.12Å; E105-R127 IonicContact OE1-NH1 3.17Å; E105-R127 PolarHBondContact OE1-NH1 3.33Å; E105-R127 IonicContact OE1-NH2 2.96Å; E105-R127 PolarHBondContact OE1-NH2 2.95Å; E105-R127 VanDerWaalsContact OE1-NH2 3.17Å; E105-M128 HydrophobicContact CB-CG 4.27Å; E105-M128 HydrophobicContact CB-SD 4.4Å; E105-K131 IonicContact OE1-NZ 2.63Å; E105-K131 PolarHBondContact OE1-NZ 3Å; E105-K131 WeakPolarHBondContact OE2-CE 3.29Å; E105-K131 IonicContact OE2-NZ 2.75Å; E105-K131 PolarHBondContact OE2-NZ 3.25Å |
| 106 | E | 95.6 | Very high | 95.3 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 173.4 | -60.4 | 73.3 | -163.9 | 0 | 0 | 110.6 | A104 V108 L109 E110 M128 | A104-E106 VanDerWaalsContact C-N 3.29Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.02Å; E106-L109 WeakPolarHBondContact O-CB 2.95Å; E106-L109 PolarHBondContact O-N 3.4Å; E106-E110 WeakPolarHBondContact O-CG 3.44Å; E106-E110 PolarHBondContact O-N 3.36Å; E106-M128 HydrophobicContact CG-CE 3.78Å |
| 107 | G | 96.6 | Very high | 95.3 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A104 E105 L109 E111 | A104-G107 PolarHBondContact O-N 2.72Å; E105-G107 VanDerWaalsContact C-N 3.31Å; E105-G107 PolarHBondContact O-N 3.17Å; G107-L109 VanDerWaalsContact C-N 3.34Å; G107-E111 PolarHBondContact O-N 2.96Å |
| 108 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | Y84 P87 I88 L99 M103 A104 E105 E106 E111 A112 I124 | Y84-V108 HydrophobicContact CD1-CG2 3.72Å; P87-V108 HydrophobicContact CB-CG1 3.99Å; P87-V108 HydrophobicContact CG-CG2 4.27Å; I88-V108 HydrophobicContact CD1-CG1 3.83Å; L99-V108 HydrophobicContact CD1-CG2 4.41Å; L99-V108 HydrophobicContact CD2-CB 4.41Å; L99-V108 HydrophobicContact CD2-CG1 4.13Å; L99-V108 HydrophobicContact CD2-CG2 3.76Å; M103-V108 HydrophobicContact CG-CG2 4.02Å; M103-V108 HydrophobicContact SD-CG2 3.76Å; A104-V108 PolarHBondContact O-N 3.31Å; E105-V108 PolarHBondContact O-N 3.25Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.02Å; V108-E111 PolarHBondContact O-N 3.15Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.17Å; V108-I124 HydrophobicContact CB-CD1 4.37Å; V108-I124 HydrophobicContact CG1-CD1 3.79Å |
| 109 | L | 97.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.1 | -177.5 | 58.4 | 0 | 0 | 0 | 111.3 | E105 E106 G107 E111 A112 E113 I121 I124 K125 M128 | E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.31Å; E106-L109 WeakPolarHBondContact O-CB 2.95Å; E106-L109 PolarHBondContact O-N 3.4Å; G107-L109 VanDerWaalsContact C-N 3.34Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.15Å; L109-A112 PolarHBondContact O-N 3.5Å; L109-A112 VanDerWaalsContact O-N 3.12Å; L109-E113 HydrophobicContact CD1-CG 4.36Å; L109-E113 WeakPolarHBondContact O-CG 3.43Å; L109-E113 PolarHBondContact O-N 3.28Å; L109-I121 HydrophobicContact CD1-CG2 4.07Å; L109-I124 HydrophobicContact CB-CG2 3.89Å; L109-I124 HydrophobicContact CD1-CB 4.15Å; L109-I124 HydrophobicContact CD1-CG2 4.05Å; L109-I124 HydrophobicContact CG-CG2 4.41Å; L109-K125 HydrophobicContact CD1-CG 4.07Å; L109-K125 HydrophobicContact CD2-CG 4.23Å; L109-M128 HydrophobicContact CD2-SD 3.97Å |
| 110 | E | 98 | Very high | 95.6 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.9 | -45 | 176.4 | -72.5 | -66.9 | 148.3 | 0 | 0 | 111.8 | E106 E113 F114 | E106-E110 WeakPolarHBondContact O-CG 3.44Å; E106-E110 PolarHBondContact O-N 3.36Å; E110-E113 PolarHBondContact O-N 3.4Å; E110-F114 WeakPolarHBondContact O-CB 3.5Å; E110-F114 PolarHBondContact O-N 3.45Å |
| 111 | E | 97.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 174.9 | -69.1 | -50.1 | 121 | 0 | 0 | 112.3 | R80 I88 G107 V108 L109 E113 F114 Y115 | R80-E111 WeakPolarHBondContact CB-OE2 3.32Å; R80-E111 IonicContact CZ-OE1 3.18Å; R80-E111 IonicContact NE-OE1 2.95Å; R80-E111 PolarHBondContact NE-OE1 3.18Å; R80-E111 IonicContact NE-OE2 3.32Å; R80-E111 PolarHBondContact NE-OE2 3.31Å; R80-E111 IonicContact NH2-OE1 2.67Å; R80-E111 PolarHBondContact NH2-OE1 3.22Å; I88-E111 HydrophobicContact CD1-CB 4.12Å; I88-E111 HydrophobicContact CG1-CB 3.99Å; G107-E111 PolarHBondContact O-N 2.96Å; V108-E111 PolarHBondContact O-N 3.15Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.15Å; E111-E113 VanDerWaalsContact C-N 3.25Å; E111-E113 PolarHBondContact O-N 2.94Å; E111-F114 PolarHBondContact O-N 3.31Å; E111-Y115 HydrophobicContact CB-CD2 4.24Å; E111-Y115 HydrophobicContact CB-CE2 3.99Å; E111-Y115 HydrophobicContact CG-CE2 4.48Å; E111-Y115 WeakPolarHBondContact O-CD2 3.19Å; E111-Y115 PolarHBondContact O-N 2.95Å; E111-Y115 WeakPolarHBondContact OE2-CE2 3.14Å; E111-Y115 PolarHBondContact OE2-OH 3.02Å |
| 112 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I88 V108 L109 N116 I117 L120 I121 I124 | I88-A112 HydrophobicContact CD1-CB 3.92Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.17Å; L109-A112 PolarHBondContact O-N 3.5Å; L109-A112 VanDerWaalsContact O-N 3.12Å; A112-N116 PolarHBondContact O-N 3.18Å; A112-N116 VanDerWaalsContact O-N 3.12Å; A112-I117 PolarHBondContact O-N 3.41Å; A112-L120 HydrophobicContact CB-CD2 4.01Å; A112-L120 HydrophobicContact CB-CG 4.03Å; A112-I121 HydrophobicContact CB-CG1 3.85Å; A112-I124 HydrophobicContact CB-CD1 3.97Å |
| 113 | E | 97.4 | Very high | 96.5 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69 | -44.9 | 173.9 | -69.9 | -170.1 | 164.3 | 0 | 0 | 111.7 | L109 E110 E111 Y115 N116 I121 K125 | L109-E113 HydrophobicContact CD1-CG 4.36Å; L109-E113 WeakPolarHBondContact O-CG 3.43Å; L109-E113 PolarHBondContact O-N 3.28Å; E110-E113 PolarHBondContact O-N 3.4Å; E111-E113 VanDerWaalsContact C-N 3.25Å; E111-E113 PolarHBondContact O-N 2.94Å; E113-Y115 PolarHBondContact O-N 3.01Å; E113-N116 WeakPolarHBondContact O-CA 3.3Å; E113-N116 PolarHBondContact O-N 3.26Å; E113-I121 HydrophobicContact CB-CD1 4.49Å; E113-I121 HydrophobicContact CG-CD1 3.97Å; E113-I121 HydrophobicContact CG-CG1 3.99Å; E113-I121 HydrophobicContact CG-CG2 4.22Å; E113-K125 WeakPolarHBondContact OE1-CE 3.44Å; E113-K125 IonicContact OE1-NZ 2.79Å; E113-K125 PolarHBondContact OE1-NZ 3.1Å |
| 114 | F | 96.9 | Very high | 96.7 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 37% | 0.373 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 175.5 | 175.5 | -95.2 | 0 | 0 | 0 | 112.5 | F56 I78 R80 E110 E111 N116 | F56-F114 HydrophobicContact CD1-CE1 4.45Å; I78-F114 HydrophobicContact CG2-CE1 4.36Å; R80-F114 HydrophobicContact CG-CD1 3.81Å; R80-F114 HydrophobicContact CG-CE1 3.5Å; R80-F114 VanDerWaalsContact CG-CE1 3.5Å; R80-F114 HydrophobicContact CG-CE2 4.31Å; R80-F114 HydrophobicContact CG-CG 4.35Å; R80-F114 HydrophobicContact CG-CZ 3.78Å; E110-F114 WeakPolarHBondContact O-CB 3.5Å; E110-F114 PolarHBondContact O-N 3.45Å; E111-F114 PolarHBondContact O-N 3.31Å; F114-N116 PolarHBondContact O-N 3.1Å |
| 115 | Y | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.6 | 177.9 | -62.3 | -64.6 | 0 | 0 | 0 | 113.2 | S55 F56 L57 I78 F85 I88 E111 E113 | S55-Y115 CarbonylContact C-O 3.5Å; S55-Y115 WeakPolarHBondContact CA-O 3.45Å; S55-Y115 WeakPolarHBondContact CB-O 3.28Å; F56-Y115 AromaticContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CE1 4.22Å; F56-Y115 PolarHBondContact N-O 3.49Å; L57-Y115 HydrophobicContact CD1-CD1 4.05Å; L57-Y115 HydrophobicContact CD1-CG 4.22Å; L57-Y115 HydrophobicContact CD2-CD1 3.86Å; L57-Y115 HydrophobicContact CD2-CE1 4.01Å; L57-Y115 HydrophobicContact CG-CD1 3.74Å; L57-Y115 HydrophobicContact CG-CE1 4.39Å; L57-Y115 HydrophobicContact CG-CG 4.33Å; I78-Y115 HydrophobicContact CD1-CE1 4.46Å; I78-Y115 HydrophobicContact CG2-CE1 4.23Å; F85-Y115 HydrophobicContact CD2-CD2 4.37Å; F85-Y115 HydrophobicContact CD2-CE1 4.36Å; F85-Y115 AromaticContact CD2-CE2 3.55Å; F85-Y115 HydrophobicContact CD2-CE2 3.55Å; F85-Y115 AromaticContact CD2-CZ 3.55Å; F85-Y115 HydrophobicContact CE2-CD2 4.45Å; F85-Y115 HydrophobicContact CE2-CE1 4.03Å; F85-Y115 AromaticContact CE2-CE2 3.9Å; F85-Y115 HydrophobicContact CE2-CE2 3.9Å; F85-Y115 AromaticContact CE2-CZ 3.68Å; I88-Y115 HydrophobicContact CG1-CD2 4.28Å; I88-Y115 HydrophobicContact CG2-CD2 3.89Å; I88-Y115 HydrophobicContact CG2-CG 4.45Å; E111-Y115 HydrophobicContact CB-CD2 4.24Å; E111-Y115 HydrophobicContact CB-CE2 3.99Å; E111-Y115 HydrophobicContact CG-CE2 4.48Å; E111-Y115 WeakPolarHBondContact O-CD2 3.19Å; E111-Y115 PolarHBondContact O-N 2.95Å; E111-Y115 WeakPolarHBondContact OE2-CE2 3.14Å; E111-Y115 PolarHBondContact OE2-OH 3.02Å; E113-Y115 PolarHBondContact O-N 3.01Å |
| 116 | N | 96.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 49 Ų | 49 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 56.4 | -178.1 | -157.1 | -90.4 | 0 | 0 | 0 | 113.3 | A112 E113 F114 | A112-N116 PolarHBondContact O-N 3.18Å; A112-N116 VanDerWaalsContact O-N 3.12Å; E113-N116 WeakPolarHBondContact O-CA 3.3Å; E113-N116 PolarHBondContact O-N 3.26Å; F114-N116 PolarHBondContact O-N 3.1Å |
| 117 | I | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -103.3 | 81.3 | 179.2 | -57.4 | 165.4 | 0 | 0 | 0 | 109.2 | I88 F91 L92 A112 L120 I121 | I88-I117 HydrophobicContact CG2-CD1 3.22Å; F91-I117 HydrophobicContact CD1-CG2 3.89Å; F91-I117 HydrophobicContact CE1-CG2 3.72Å; L92-I117 HydrophobicContact CD1-CD1 4.21Å; L92-I117 HydrophobicContact CD2-CD1 4.17Å; L92-I117 HydrophobicContact CD2-CG2 4.45Å; L92-I117 HydrophobicContact CG-CD1 4.27Å; A112-I117 PolarHBondContact O-N 3.41Å; I117-L120 HydrophobicContact CB-CB 4.1Å; I117-L120 HydrophobicContact CG2-CB 3.56Å; I117-L120 HydrophobicContact CG2-CD2 4.37Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3Å | ||
| 118 | G | 96.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -46.8 | -51.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L120 I121 R122 | G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.49Å; G118-I121 PolarHBondContact O-N 2.73Å; G118-R122 PolarHBondContact O-N 2.94Å |
| 119 | P | 96.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 179 | -26.2 | 35.9 | 0 | 0 | 0 | 113.5 | E52 F91 I123 | E52-P119 WeakPolarHBondContact OE2-CD 3.37Å; F91-P119 HydrophobicContact CE1-CB 4.44Å; F91-P119 HydrophobicContact CZ-CB 4.04Å; P119-I123 WeakPolarHBondContact O-CD1 3.38Å; P119-I123 VanDerWaalsContact O-CG1 3.26Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.18Å |
| 120 | L | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -43.4 | -180 | 178.8 | 56.4 | 0 | 0 | 0 | 111.5 | I88 F91 L97 A112 I117 G118 R122 I123 I124 | I88-L120 HydrophobicContact CD1-CD2 3.53Å; F91-L120 HydrophobicContact CB-CD1 4.32Å; F91-L120 HydrophobicContact CB-CD2 4Å; F91-L120 HydrophobicContact CD1-CB 3.87Å; F91-L120 HydrophobicContact CD1-CD1 4.46Å; F91-L120 HydrophobicContact CD1-CD2 4.04Å; F91-L120 HydrophobicContact CD1-CG 4.35Å; F91-L120 HydrophobicContact CD2-CB 4.43Å; F91-L120 HydrophobicContact CD2-CD1 3.79Å; F91-L120 HydrophobicContact CE1-CB 3.79Å; F91-L120 HydrophobicContact CE2-CB 4.37Å; F91-L120 HydrophobicContact CE2-CD1 4.23Å; F91-L120 HydrophobicContact CG-CB 4.19Å; F91-L120 HydrophobicContact CG-CD1 3.92Å; F91-L120 HydrophobicContact CG-CD2 3.98Å; F91-L120 HydrophobicContact CG-CG 4.26Å; F91-L120 HydrophobicContact CZ-CB 4.05Å; L97-L120 HydrophobicContact CB-CD1 4.28Å; L97-L120 HydrophobicContact CD1-CD1 3.88Å; L97-L120 HydrophobicContact CD2-CD1 4.5Å; L97-L120 HydrophobicContact CG-CD1 4.44Å; A112-L120 HydrophobicContact CB-CD2 4.01Å; A112-L120 HydrophobicContact CB-CG 4.03Å; I117-L120 HydrophobicContact CB-CB 4.1Å; I117-L120 HydrophobicContact CG2-CB 3.56Å; I117-L120 HydrophobicContact CG2-CD2 4.37Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.27Å; G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.49Å; L120-R122 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 2.98Å; L120-I123 VanDerWaalsContact O-N 3.15Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CG-CD1 3.8Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.09Å |
| 121 | I | 97.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.138 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.4 | -46.1 | 175.3 | -64.4 | 163.1 | 0 | 0 | 0 | 110 | L109 A112 E113 I117 G118 I124 K125 | L109-I121 HydrophobicContact CD1-CG2 4.07Å; A112-I121 HydrophobicContact CB-CG1 3.85Å; E113-I121 HydrophobicContact CB-CD1 4.49Å; E113-I121 HydrophobicContact CG-CD1 3.97Å; E113-I121 HydrophobicContact CG-CG1 3.99Å; E113-I121 HydrophobicContact CG-CG2 4.22Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3Å; G118-I121 PolarHBondContact O-N 2.73Å; I121-I124 PolarHBondContact O-N 3.34Å; I121-K125 HydrophobicContact CG2-CD 4.14Å; I121-K125 WeakPolarHBondContact O-CG 3.34Å; I121-K125 PolarHBondContact O-N 3.45Å |
| 122 | R | 96.6 | Very high | 91.9 | Very high | 168 Ų | 168 | 64.4 Ų | 64.4 | 63% | 0.634 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.5 | -49.4 | 178 | -171.3 | 178.1 | 68.1 | -177 | 2.6 | 112 | G118 L120 I124 K125 D126 | G118-R122 PolarHBondContact O-N 2.94Å; L120-R122 PolarHBondContact O-N 3.36Å; R122-I124 VanDerWaalsContact C-N 3.27Å; R122-I124 PolarHBondContact O-N 3.17Å; R122-K125 PolarHBondContact O-N 3.2Å; R122-D126 WeakPolarHBondContact O-CB 3.4Å; R122-D126 PolarHBondContact O-N 3.04Å |
| 123 | I | 96.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 69.2 Ų | 69.2 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 179.9 | -67.8 | 163.9 | 0 | 0 | 0 | 111.4 | F91 L97 P119 L120 R127 | F91-I123 HydrophobicContact CE2-CD1 3.79Å; F91-I123 HydrophobicContact CZ-CD1 4.27Å; L97-I123 HydrophobicContact CB-CG2 4.04Å; L97-I123 HydrophobicContact CD2-CG2 3.8Å; P119-I123 WeakPolarHBondContact O-CD1 3.38Å; P119-I123 VanDerWaalsContact O-CG1 3.26Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.18Å; L120-I123 PolarHBondContact O-N 2.98Å; L120-I123 VanDerWaalsContact O-N 3.15Å; I123-R127 WeakPolarHBondContact O-CB 3.38Å; I123-R127 PolarHBondContact O-N 3.24Å; I123-R127 VanDerWaalsContact O-N 3.15Å |
| 124 | I | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 179.6 | -62.8 | 164.9 | 0 | 0 | 0 | 110.5 | L97 V108 L109 A112 L120 I121 R122 D126 R127 M128 | L97-I124 HydrophobicContact CD1-CG1 4.48Å; L97-I124 HydrophobicContact CD2-CG1 3.65Å; V108-I124 HydrophobicContact CB-CD1 4.37Å; V108-I124 HydrophobicContact CG1-CD1 3.79Å; L109-I124 HydrophobicContact CB-CG2 3.89Å; L109-I124 HydrophobicContact CD1-CB 4.15Å; L109-I124 HydrophobicContact CD1-CG2 4.05Å; L109-I124 HydrophobicContact CG-CG2 4.41Å; A112-I124 HydrophobicContact CB-CD1 3.97Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CG-CD1 3.8Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.09Å; I121-I124 PolarHBondContact O-N 3.34Å; R122-I124 VanDerWaalsContact C-N 3.27Å; R122-I124 PolarHBondContact O-N 3.17Å; I124-D126 PolarHBondContact O-N 3.34Å; I124-R127 PolarHBondContact O-N 3.31Å; I124-M128 HydrophobicContact CG2-CG 4.31Å; I124-M128 HydrophobicContact CG2-SD 3.84Å; I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.75Å |
| 125 | K | 95.1 | Very high | 86.3 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 36% | 0.361 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 178.2 | -71.9 | -176.3 | -178.6 | -179.3 | 0 | 112 | L109 E113 I121 R122 R127 M128 E129 | L109-K125 HydrophobicContact CD1-CG 4.07Å; L109-K125 HydrophobicContact CD2-CG 4.23Å; E113-K125 WeakPolarHBondContact OE1-CE 3.44Å; E113-K125 IonicContact OE1-NZ 2.79Å; E113-K125 PolarHBondContact OE1-NZ 3.1Å; I121-K125 HydrophobicContact CG2-CD 4.14Å; I121-K125 WeakPolarHBondContact O-CG 3.34Å; I121-K125 PolarHBondContact O-N 3.45Å; R122-K125 PolarHBondContact O-N 3.2Å; K125-R127 VanDerWaalsContact C-N 3.27Å; K125-R127 PolarHBondContact O-N 3.17Å; K125-M128 PolarHBondContact O-N 2.63Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.4Å |
| 126 | D | 93.7 | Very high | 84.4 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 177.3 | -62.5 | -12.5 | 0 | 0 | 0 | 111.2 | R122 I124 E130 | R122-D126 WeakPolarHBondContact O-CB 3.4Å; R122-D126 PolarHBondContact O-N 3.04Å; I124-D126 PolarHBondContact O-N 3.34Å; D126-E130 PolarHBondContact O-N 2.86Å; D126-E130 VanDerWaalsContact O-N 3.17Å |
| 127 | R | 90.9 | Very high | 82.6 | Confident | 86 Ų | 86 | 78 Ų | 78 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 178.2 | -175 | -178 | -176.1 | -160.2 | -8.2 | 112.9 | E105 I123 I124 K125 K131 | E105-R127 IonicContact OE1-CZ 3.12Å; E105-R127 IonicContact OE1-NE 3.41Å; E105-R127 PolarHBondContact OE1-NE 3.35Å; E105-R127 VanDerWaalsContact OE1-NE 3.12Å; E105-R127 IonicContact OE1-NH1 3.17Å; E105-R127 PolarHBondContact OE1-NH1 3.33Å; E105-R127 IonicContact OE1-NH2 2.96Å; E105-R127 PolarHBondContact OE1-NH2 2.95Å; E105-R127 VanDerWaalsContact OE1-NH2 3.17Å; I123-R127 WeakPolarHBondContact O-CB 3.38Å; I123-R127 PolarHBondContact O-N 3.24Å; I123-R127 VanDerWaalsContact O-N 3.15Å; I124-R127 PolarHBondContact O-N 3.31Å; K125-R127 VanDerWaalsContact C-N 3.27Å; K125-R127 PolarHBondContact O-N 3.17Å; R127-K131 PolarHBondContact O-N 2.79Å |
| 128 | M | 89.5 | Confident | 80.8 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 177.5 | -70 | 174.7 | 71.2 | 0 | 0 | 111 | E105 E106 L109 I124 K125 E130 K131 D132 | E105-M128 HydrophobicContact CB-CG 4.27Å; E105-M128 HydrophobicContact CB-SD 4.4Å; E106-M128 HydrophobicContact CG-CE 3.78Å; L109-M128 HydrophobicContact CD2-SD 3.97Å; I124-M128 HydrophobicContact CG2-CG 4.31Å; I124-M128 HydrophobicContact CG2-SD 3.84Å; I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.75Å; K125-M128 PolarHBondContact O-N 2.63Å; M128-E130 VanDerWaalsContact C-N 3.33Å; M128-E130 PolarHBondContact O-N 2.67Å; M128-K131 PolarHBondContact O-N 2.95Å; M128-D132 PolarHBondContact O-N 2.91Å |
| 129 | E | 86.6 | Confident | 79.4 | Confident | 134 Ų | 134 | 85.9 Ų | 85.9 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 175.9 | -70.9 | 176.9 | -171.3 | 0 | 0 | 112.5 | K125 D132 Y133 | K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.4Å; E129-D132 PolarHBondContact O-N 3.04Å; E129-Y133 PolarHBondContact O-N 3.21Å; E129-Y133 VanDerWaalsContact O-N 3.1Å |
| 130 | E | 80.2 | Confident | 78.3 | Confident | 140 Ų | 140 | 86.3 Ų | 86.3 | 65% | 0.654 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 175.3 | -174.3 | 178.4 | -164 | 0 | 0 | 112.1 | D126 M128 Y133 T134 | D126-E130 PolarHBondContact O-N 2.86Å; D126-E130 VanDerWaalsContact O-N 3.17Å; M128-E130 VanDerWaalsContact C-N 3.33Å; M128-E130 PolarHBondContact O-N 2.67Å; E130-Y133 WeakPolarHBondContact O-CB 3.42Å; E130-Y133 PolarHBondContact O-N 2.97Å; E130-T134 PolarHBondContact O-N 3Å |
| 131 | K | 72.2 | Confident | 77.6 | Confident | 87 Ų | 87 | 92.6 Ų | 92.6 | 38% | 0.378 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 176.8 | -73.5 | 179.5 | 178.1 | 178.4 | 0 | 112 | E105 R127 M128 Y133 T134 V135 | E105-K131 IonicContact OE1-NZ 2.63Å; E105-K131 PolarHBondContact OE1-NZ 3Å; E105-K131 WeakPolarHBondContact OE2-CE 3.29Å; E105-K131 IonicContact OE2-NZ 2.75Å; E105-K131 PolarHBondContact OE2-NZ 3.25Å; R127-K131 PolarHBondContact O-N 2.79Å; M128-K131 PolarHBondContact O-N 2.95Å; K131-Y133 PolarHBondContact O-N 3.22Å; K131-T134 PolarHBondContact O-N 3.47Å; K131-T134 PolarHBondContact O-OG1 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 3.32Å; K131-V135 VanDerWaalsContact O-N 3.1Å |
| 132 | D | 64.8 | Low | 77.2 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -33.1 | 177.1 | -73.3 | -20.4 | 0 | 0 | 0 | 111.4 | M128 E129 V135 T136 | M128-D132 PolarHBondContact O-N 2.91Å; E129-D132 PolarHBondContact O-N 3.04Å; D132-V135 PolarHBondContact O-N 3.05Å; D132-T136 VanDerWaalsContact O-CB 3.29Å; D132-T136 WeakPolarHBondContact O-CB 3.14Å; D132-T136 PolarHBondContact O-N 2.98Å; D132-T136 PolarHBondContact O-OG1 2.95Å |
| 133 | Y | 56.1 | Low | 77.1 | Confident | 102 Ų | 102 | 89.6 Ų | 89.6 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -38 | 173.5 | -178.1 | -104.8 | 0 | 0 | 0 | 113.4 | E129 E130 K131 Q137 P199 | E129-Y133 PolarHBondContact O-N 3.21Å; E129-Y133 VanDerWaalsContact O-N 3.1Å; E130-Y133 WeakPolarHBondContact O-CB 3.42Å; E130-Y133 PolarHBondContact O-N 2.97Å; K131-Y133 PolarHBondContact O-N 3.22Å; Y133-Q137 VanDerWaalsContact CE1-NE2 3.33Å; Y133-P199 HydrophobicContact CD2-CG 4.18Å; Y133-P199 HydrophobicContact CE2-CG 3.29Å; Y133-P199 VanDerWaalsContact OH-CD 3.27Å; Y133-P199 WeakPolarHBondContact OH-CD 3.49Å |
| 134 | T | 58.9 | Low | 77 | Confident | 92 Ų | 92 | 93.1 Ų | 93.1 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.6 | -33 | 176.9 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | E130 K131 Q137 | E130-T134 PolarHBondContact O-N 3Å; K131-T134 PolarHBondContact O-N 3.47Å; K131-T134 PolarHBondContact O-OG1 3.3Å; T134-Q137 WeakPolarHBondContact O-CG 3.36Å |
| 135 | V | 58.1 | Low | 77 | Confident | 121 Ų | 121 | 100 Ų | 100 | 73% | 0.733 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -79.4 | -32 | -179.5 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | K131 D132 Q137 | K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 3.32Å; K131-V135 VanDerWaalsContact O-N 3.1Å; D132-V135 PolarHBondContact O-N 3.05Å; V135-Q137 PolarHBondContact O-N 3.04Å |
| 136 | T | 56.4 | Low | 77 | Confident | 100 Ų | 100 | 100.4 Ų | 100.4 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 21.2 | -176.7 | -40 | 0 | 0 | 0 | 0 | 113.1 | D132 V138 | D132-T136 VanDerWaalsContact O-CB 3.29Å; D132-T136 WeakPolarHBondContact O-CB 3.14Å; D132-T136 PolarHBondContact O-N 2.98Å; D132-T136 PolarHBondContact O-OG1 2.95Å; T136-V138 PolarHBondContact O-N 3.24Å |
| 137 | Q | 58.7 | Low | 77 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | trans | -54.6 | 104 | 175.3 | -72.6 | -77.9 | -34.9 | 0 | 0 | 109.6 | Y133 T134 V135 | Y133-Q137 VanDerWaalsContact CE1-NE2 3.33Å; T134-Q137 WeakPolarHBondContact O-CG 3.36Å; V135-Q137 PolarHBondContact O-N 3.04Å | ||
| 138 | V | 59.8 | Low | 77.1 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 135.6 | 166.1 | -179 | 0 | 0 | 0 | 0 | 106.1 | T136 | T136-V138 PolarHBondContact O-N 3.24Š|
| 139 | P | 67.8 | Low | 77.2 | Confident | 102 Ų | 102 | 99.8 Ų | 99.8 | 66% | 0.662 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -46.3 | 138.9 | 176.9 | -27.2 | 32.6 | 0 | 0 | 0 | 110.6 | K141 | P139-K141 PolarHBondContact O-N 2.96Š|
| 140 | P | 73 | Confident | 77.3 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 133.8 | 179.8 | -24.1 | 31.2 | 0 | 0 | 0 | 109.6 | H142 E194 | P140-H142 PolarHBondContact O-N 3.11Å; P140-H142 PolarHBondContact O-ND1 3.37Å; P140-H142 VanDerWaalsContact O-ND1 3.08Å; P140-E194 HydrophobicContact CB-CG 4.43Å |
| 141 | K | 82 | Confident | 77.8 | Confident | 131 Ų | 131 | 95.1 Ų | 95.1 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 116 | 177.2 | -70 | 179 | -179.4 | 174.6 | 0 | 107.7 | P139 L195 | P139-K141 PolarHBondContact O-N 2.96Å; K141-L195 HydrophobicContact CB-CB 4.35Å; K141-L195 PolarHBondContact N-O 2.92Å; K141-L195 WeakPolarHBondContact O-CA 3.47Å; K141-L195 VanDerWaalsContact O-CB 3.24Å; K141-L195 WeakPolarHBondContact O-CB 3.12Å; K141-L195 PolarHBondContact O-N 2.99Å |
| 142 | H | 89.2 | Confident | 78.7 | Confident | 71 Ų | 71 | 96 Ų | 96 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.4 | 173.3 | -64.3 | 73.8 | 0 | 0 | 0 | 111 | P140 Y144 K193 E194 | P140-H142 PolarHBondContact O-N 3.11Å; P140-H142 PolarHBondContact O-ND1 3.37Å; P140-H142 VanDerWaalsContact O-ND1 3.08Å; H142-Y144 HydrophobicContact CB-CD2 4.38Å; H142-Y144 HydrophobicContact CB-CE2 3.61Å; H142-K193 WeakPolarHBondContact CA-O 3.48Å; H142-E194 VanDerWaalsContact CD2-CG 3.47Å; H142-E194 WeakPolarHBondContact CD2-CG 3.39Å; H142-E194 WeakPolarHBondContact NE2-CG 3.35Å; H142-E194 IonicContact NE2-OE1 2.79Å; H142-E194 PolarHBondContact NE2-OE1 3.29Å |
| 143 | V | 93.6 | Very high | 79.9 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 37% | 0.37 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.6 | 165.4 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | W165 S192 K193 L195 | V143-W165 HydrophobicContact CG1-CH2 4.26Å; V143-S192 CarbonylContact O-C 3.57Å; V143-S192 VanDerWaalsContact O-CA 3.25Å; V143-S192 WeakPolarHBondContact O-CA 3.31Å; V143-K193 PolarHBondContact N-O 2.97Å; V143-K193 PolarHBondContact O-N 2.77Å; V143-L195 HydrophobicContact CG2-CD1 3.42Å; V143-L195 VanDerWaalsContact CG2-CD1 3.42Å; V143-L195 HydrophobicContact CG2-CD2 4.36Å; V143-L195 HydrophobicContact CG2-CG 3.81Å |
| 144 | Y | 95.3 | Very high | 81.5 | Confident | 139 Ų | 139 | 92.5 Ų | 92.5 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.8 | 178 | -63.6 | -93.1 | 0 | 0 | 0 | 111 | H142 E168 V190 V191 | H142-Y144 HydrophobicContact CB-CD2 4.38Å; H142-Y144 HydrophobicContact CB-CE2 3.61Å; Y144-E168 HydrophobicContact CE1-CG 4.23Å; Y144-V190 HydrophobicContact CD1-CG1 4.22Å; Y144-V191 CarbonylContact C-O 3.57Å; Y144-V191 VanDerWaalsContact CA-O 3.29Å; Y144-V191 WeakPolarHBondContact CA-O 3.46Å |
| 145 | R | 95 | Very high | 83.1 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.8 | 166.6 | -81.8 | -175.3 | 158.1 | 160.4 | -14.4 | 109.7 | W165 V190 V191 | R145-W165 HydrophobicContact CB-CH2 4.04Å; R145-W165 HydrophobicContact CB-CZ3 3.78Å; R145-W165 HydrophobicContact CG-CH2 3.48Å; R145-W165 VanDerWaalsContact CG-CH2 3.48Å; R145-W165 HydrophobicContact CG-CZ2 4.36Å; R145-W165 HydrophobicContact CG-CZ3 3.77Å; R145-V190 WeakPolarHBondContact O-CA 3.35Å; R145-V191 HydrophobicContact CB-CG2 3.69Å; R145-V191 PolarHBondContact N-O 2.92Å; R145-V191 PolarHBondContact O-N 3.46Å |
| 146 | V | 95.3 | Very high | 84.8 | Confident | 91 Ų | 91 | 93.9 Ų | 93.9 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.2 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 107 | L188 C189 V190 | V146-L188 HydrophobicContact CG1-CB 3.85Å; V146-L188 HydrophobicContact CG1-CD1 4.31Å; V146-L188 HydrophobicContact CG1-CD2 4.13Å; V146-L188 HydrophobicContact CG1-CG 4.3Å; V146-C189 WeakPolarHBondContact CA-O 3.43Å; V146-V190 HydrophobicContact CG2-CG2 4.42Å |
| 147 | L | 94.4 | Very high | 86.4 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131 | 178.2 | -54.1 | 177.8 | 0 | 0 | 0 | 108.2 | M157 L188 C189 V191 | L147-M157 HydrophobicContact CB-SD 3.83Å; L147-M157 HydrophobicContact CD1-CG 4.49Å; L147-M157 HydrophobicContact CD1-SD 4.18Å; L147-L188 CarbonylContact O-C 3.53Å; L147-L188 WeakPolarHBondContact O-CA 3.2Å; L147-C189 HydrophobicContact CB-CB 4.33Å; L147-C189 PolarHBondContact N-O 3.27Å; L147-C189 PolarHBondContact O-N 3Å; L147-V191 HydrophobicContact CD1-CG1 4.41Å; L147-V191 HydrophobicContact CD1-CG2 4.26Å; L147-V191 HydrophobicContact CG-CG2 4.37Å |
| 148 | Q | 92.7 | Very high | 87.8 | Confident | 129 Ų | 129 | 88 Ų | 88 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.7 | 174.4 | -174 | 178.7 | 2 | 0 | 0 | 108.9 | E186 F187 L188 | Q148-E186 PolarHBondContact NE2-OE2 3.2Å; Q148-F187 WeakPolarHBondContact CA-O 3.37Å; Q148-L188 HydrophobicContact CB-CD2 4.02Å; Q148-L188 HydrophobicContact CG-CD2 4.1Å |
| 149 | C | 90.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 87.6 Ų | 87.6 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 156.1 | 177 | 59.6 | 0 | 0 | 0 | 0 | 111 | M157 F187 | C149-M157 HydrophobicContact CB-CE 4.38Å; C149-M157 HydrophobicContact CB-SD 3.77Å; C149-M157 VanDerWaalsContact SG-CE 3.51Å; C149-M157 VanDerWaalsContact SG-SD 3.63Å; C149-F187 PolarHBondContact N-O 3.43Å; C149-F187 PolarHBondContact O-N 2.95Å |
| 150 | Q | 90.3 | Very high | 90.5 | Very high | 63 Ų | 63 | 87.5 Ų | 87.5 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 161.3 | 169.7 | -66.2 | 174.5 | -9 | 0 | 0 | 110.6 | E152 E153 L154 Q184 | Q150-E152 VanDerWaalsContact C-N 3.28Å; Q150-E152 HydrophobicContact CB-CG 4.27Å; Q150-E152 PolarHBondContact O-N 3.45Å; Q150-E152 PolarHBondContact OE1-OE1 3.26Å; Q150-E153 PolarHBondContact O-N 3.21Å; Q150-E153 VanDerWaalsContact O-N 3.09Å; Q150-L154 PolarHBondContact O-N 3.46Å; Q150-L154 VanDerWaalsContact O-N 3.14Å; Q150-Q184 VanDerWaalsContact CD-OE1 3.31Å |
| 151 | E | 89.1 | Confident | 91.4 | Very high | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -52.8 | -44.1 | 179.6 | -170.4 | 172 | 173.9 | 0 | 0 | 112.6 | E153 L154 A185 F187 | E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 2.99Å; E151-L154 WeakPolarHBondContact O-CB 3.42Å; E151-L154 PolarHBondContact O-N 2.04Å; E151-A185 HydrophobicContact CB-CB 4.36Å; E151-A185 PolarHBondContact N-O 3.21Å; E151-F187 HydrophobicContact CB-CE2 3.85Å; E151-F187 HydrophobicContact CG-CE2 4.03Å |
| 152 | E | 91 | Very high | 91.7 | Very high | 105 Ų | 105 | 83.8 Ų | 83.8 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.2 | -26.1 | -179.9 | 55.8 | -100.9 | -120.7 | 0 | 0 | 114 | Q150 Q184 | Q150-E152 VanDerWaalsContact C-N 3.28Å; Q150-E152 HydrophobicContact CB-CG 4.27Å; Q150-E152 PolarHBondContact O-N 3.45Å; Q150-E152 PolarHBondContact OE1-OE1 3.26Å; E152-Q184 PolarHBondContact OE1-NE2 3.34Å; E152-Q184 PolarHBondContact OE1-OE1 3.2Å |
| 153 | E | 91.4 | Very high | 91.6 | Very high | 97 Ų | 97 | 86.2 Ų | 86.2 | 45% | 0.453 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -95.2 | -12.7 | -177.6 | -63.2 | -174.4 | 160.7 | 0 | 0 | 112.7 | Q150 E151 T155 Q156 M157 | Q150-E153 PolarHBondContact O-N 3.21Å; Q150-E153 VanDerWaalsContact O-N 3.09Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 2.99Å; E153-T155 PolarHBondContact O-N 3.43Å; E153-Q156 PolarHBondContact O-N 3.13Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-M157 WeakPolarHBondContact O-CB 3.41Å; E153-M157 PolarHBondContact O-N 3.05Å |
| 154 | L | 89.9 | Confident | 91.4 | Very high | 32 Ų | 32 | 85.1 Ų | 85.1 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -56.1 | -49.3 | -171.6 | 176.3 | 61.2 | 0 | 0 | 0 | 112.6 | Q150 E151 Q156 M157 V158 L170 | Q150-L154 PolarHBondContact O-N 3.46Å; Q150-L154 VanDerWaalsContact O-N 3.14Å; E151-L154 WeakPolarHBondContact O-CB 3.42Å; E151-L154 PolarHBondContact O-N 2.04Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.36Å; L154-M157 HydrophobicContact CD1-CE 3.79Å; L154-M157 PolarHBondContact O-N 3.35Å; L154-V158 HydrophobicContact CD1-CG2 4.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 2.91Å; L154-L170 HydrophobicContact CD1-CD1 3.66Å; L154-L170 HydrophobicContact CD1-CD2 4.18Å; L154-L170 HydrophobicContact CD2-CD2 3.72Å |
| 155 | T | 91.8 | Very high | 91.3 | Very high | 108 Ų | 108 | 80.6 Ų | 80.6 | 66% | 0.663 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | -178.3 | -58.9 | 0 | 0 | 0 | 0 | 111 | E153 S159 | E153-T155 PolarHBondContact O-N 3.43Å; T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.19Å; T155-S159 PolarHBondContact O-N 2.96Å; T155-S159 PolarHBondContact O-OG 3.39Å |
| 156 | Q | 92.6 | Very high | 91.2 | Very high | 134 Ų | 134 | 80.4 Ų | 80.4 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65 | -49.5 | 178.5 | -174.3 | 176.4 | 10.5 | 0 | 0 | 110.5 | E153 L154 V158 S159 T160 | E153-Q156 PolarHBondContact O-N 3.13Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.36Å; Q156-V158 PolarHBondContact O-N 3.46Å; Q156-S159 PolarHBondContact O-N 3.35Å; Q156-S159 VanDerWaalsContact O-N 3.17Å; Q156-T160 HydrophobicContact CG-CG2 4.35Å; Q156-T160 WeakPolarHBondContact O-CG2 3.17Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3.24Å |
| 157 | M | 91 | Very high | 91.1 | Very high | 32 Ų | 32 | 80.8 Ų | 80.8 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | -179.8 | 178.1 | -153.8 | 60.6 | 0 | 0 | 112.3 | L147 C149 E153 L154 S159 M161 C189 | L147-M157 HydrophobicContact CB-SD 3.83Å; L147-M157 HydrophobicContact CD1-CG 4.49Å; L147-M157 HydrophobicContact CD1-SD 4.18Å; C149-M157 HydrophobicContact CB-CE 4.38Å; C149-M157 HydrophobicContact CB-SD 3.77Å; C149-M157 VanDerWaalsContact SG-CE 3.51Å; C149-M157 VanDerWaalsContact SG-SD 3.63Å; E153-M157 WeakPolarHBondContact O-CB 3.41Å; E153-M157 PolarHBondContact O-N 3.05Å; L154-M157 HydrophobicContact CD1-CE 3.79Å; L154-M157 PolarHBondContact O-N 3.35Å; M157-S159 VanDerWaalsContact C-N 3.35Å; M157-M161 PolarHBondContact O-N 3.23Å; M157-C189 HydrophobicContact CE-CB 3.53Å; M157-C189 HydrophobicContact SD-CB 4.18Å |
| 158 | V | 89 | Confident | 91.1 | Very high | 59 Ų | 59 | 81.9 Ų | 81.9 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 178.5 | 176 | 0 | 0 | 0 | 0 | 111.1 | L154 Q156 M161 | L154-V158 HydrophobicContact CD1-CG2 4.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 2.91Å; Q156-V158 PolarHBondContact O-N 3.46Å; V158-M161 WeakPolarHBondContact O-CB 3.48Å; V158-M161 PolarHBondContact O-N 3.18Å |
| 159 | S | 89.9 | Confident | 91.2 | Very high | 95 Ų | 95 | 81.2 Ų | 81.2 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -73.3 | -31.3 | -178 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | T155 Q156 M157 M161 | T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.19Å; T155-S159 PolarHBondContact O-N 2.96Å; T155-S159 PolarHBondContact O-OG 3.39Å; Q156-S159 PolarHBondContact O-N 3.35Å; Q156-S159 VanDerWaalsContact O-N 3.17Å; M157-S159 VanDerWaalsContact C-N 3.35Å; S159-M161 VanDerWaalsContact C-N 3.35Å |
| 160 | T | 93.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 84 Ų | 84 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 12.6 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | Q156 S162 | Q156-T160 HydrophobicContact CG-CG2 4.35Å; Q156-T160 WeakPolarHBondContact O-CG2 3.17Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3.24Å; T160-S162 PolarHBondContact O-N 3.07Å |
| 161 | M | 91.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 21% | 0.207 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.3 | 178 | -166.4 | -175.9 | -58 | 0 | 0 | 109.8 | M157 V158 S159 W165 F167 V191 | M157-M161 PolarHBondContact O-N 3.23Å; V158-M161 WeakPolarHBondContact O-CB 3.48Å; V158-M161 PolarHBondContact O-N 3.18Å; S159-M161 VanDerWaalsContact C-N 3.35Å; M161-W165 HydrophobicContact CG-CB 3.66Å; M161-W165 HydrophobicContact CG-CG 4.45Å; M161-W165 HydrophobicContact SD-CB 3.4Å; M161-W165 WeakPolarHBondContact SD-CB 3.35Å; M161-F167 HydrophobicContact CE-CB 4.34Å; M161-V191 HydrophobicContact CE-CB 4.46Å; M161-V191 HydrophobicContact CE-CG1 3.39Å; M161-V191 HydrophobicContact SD-CB 4.28Å; M161-V191 HydrophobicContact SD-CG1 3.8Å |
| 162 | S | 87.9 | Confident | 91.7 | Very high | 76 Ų | 76 | 82.7 Ų | 82.7 | 53% | 0.531 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 151 | -178.7 | 37.7 | 0 | 0 | 0 | 0 | 113 | T160 W165 | T160-S162 PolarHBondContact O-N 3.07Å; S162-W165 PolarHBondContact O-N 3.4Å; S162-W165 VanDerWaalsContact OG-CD1 3.26Å |
| 163 | D | 88.6 | Confident | 91.5 | Very high | 121 Ų | 121 | 82.1 Ų | 82.1 | 65% | 0.647 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 137.7 | -175.5 | -171.9 | 21.6 | 0 | 0 | 0 | 113.4 | W165 K193 R208 | D163-W165 VanDerWaalsContact C-N 3.31Å; D163-W165 PolarHBondContact O-N 3.42Å; D163-K193 PolarHBondContact O-NZ 3.33Å; D163-R208 IonicContact OD2-NH1 3.77Å; D163-R208 IonicContact OD2-NH2 3.5Å; D163-R208 PolarHBondContact OD2-NH2 3.37Å |
| 164 | G | 88.7 | Confident | 90.6 | Very high | 38 Ų | 38 | 79 Ų | 79 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 4.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K193 | G164-K193 VanDerWaalsContact O-CG 3.28Å; G164-K193 WeakPolarHBondContact O-CG 2.99Å |
| 165 | W | 93.6 | Very high | 89.5 | Confident | 45 Ų | 45 | 79.9 Ų | 79.9 | 17% | 0.17 | 44% | 0.441 | C | S | . | . | trans | -87.9 | 137.3 | 165 | -70.9 | 88.9 | 0 | 0 | 0 | 110.1 | V143 R145 M161 S162 D163 V191 S192 K193 | V143-W165 HydrophobicContact CG1-CH2 4.26Å; R145-W165 HydrophobicContact CB-CH2 4.04Å; R145-W165 HydrophobicContact CB-CZ3 3.78Å; R145-W165 HydrophobicContact CG-CH2 3.48Å; R145-W165 VanDerWaalsContact CG-CH2 3.48Å; R145-W165 HydrophobicContact CG-CZ2 4.36Å; R145-W165 HydrophobicContact CG-CZ3 3.77Å; M161-W165 HydrophobicContact CG-CB 3.66Å; M161-W165 HydrophobicContact CG-CG 4.45Å; M161-W165 HydrophobicContact SD-CB 3.4Å; M161-W165 WeakPolarHBondContact SD-CB 3.35Å; S162-W165 PolarHBondContact O-N 3.4Å; S162-W165 VanDerWaalsContact OG-CD1 3.26Å; D163-W165 VanDerWaalsContact C-N 3.31Å; D163-W165 PolarHBondContact O-N 3.42Å; W165-V191 HydrophobicContact CD2-CG2 4.31Å; W165-V191 HydrophobicContact CE3-CB 3.97Å; W165-V191 HydrophobicContact CE3-CG2 3.44Å; W165-V191 VanDerWaalsContact CE3-CG2 3.44Å; W165-V191 HydrophobicContact CZ3-CG2 3.83Å; W165-S192 CarbonylContact C-O 3.57Å; W165-S192 WeakPolarHBondContact CA-O 3.4Å; W165-K193 HydrophobicContact CD2-CB 3.94Å; W165-K193 HydrophobicContact CD2-CD 4.22Å; W165-K193 HydrophobicContact CE3-CB 3.83Å; W165-K193 HydrophobicContact CG-CB 4.48Å; W165-K193 HydrophobicContact CG-CD 4.31Å; W165-K193 HydrophobicContact CH2-CB 4.22Å; W165-K193 HydrophobicContact CZ2-CB 4.36Å; W165-K193 HydrophobicContact CZ2-CD 4.34Å; W165-K193 HydrophobicContact CZ3-CB 3.99Å | ||
| 166 | R | 92.7 | Very high | 87.9 | Confident | 141 Ų | 141 | 79.9 Ų | 79.9 | 53% | 0.532 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.9 | 179.3 | -62.7 | -178.8 | 65.8 | 178 | -1.5 | 108.6 | V191 S192 E194 | R166-V191 CarbonylContact O-C 3.56Å; R166-V191 WeakPolarHBondContact O-CA 3.48Å; R166-V191 WeakPolarHBondContact O-CB 3.47Å; R166-S192 PolarHBondContact N-O 2.95Å; R166-S192 PolarHBondContact O-N 3.31Å; R166-E194 IonicContact NH1-OE1 2.95Å; R166-E194 PolarHBondContact NH1-OE1 2.87Å |
| 167 | F | 93.4 | Very high | 86.3 | Confident | 98 Ų | 98 | 84.6 Ų | 84.6 | 43% | 0.43 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.8 | 170 | 174.2 | -92 | 0 | 0 | 0 | 110 | M161 Q169 L170 C189 | M161-F167 HydrophobicContact CE-CB 4.34Å; F167-Q169 VanDerWaalsContact CZ-C 3.46Å; F167-L170 HydrophobicContact CE2-CB 3.92Å; F167-L170 HydrophobicContact CZ-CB 3.61Å; F167-C189 WeakPolarHBondContact CD2-SG 3.41Å; F167-C189 VanDerWaalsContact CE2-SG 3.59Å |
| 168 | E | 94.6 | Very high | 84.6 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -48 | -179.8 | -66.2 | -66.2 | 157.6 | 0 | 0 | 111.8 | Y144 V190 S192 | Y144-E168 HydrophobicContact CE1-CG 4.23Å; E168-V190 HydrophobicContact CB-CB 4.35Å; E168-V190 HydrophobicContact CB-CG1 4.17Å; E168-V190 WeakPolarHBondContact CB-O 3.31Å; E168-V190 PolarHBondContact N-O 3.49Å; E168-S192 VanDerWaalsContact OE1-CB 3.3Å; E168-S192 WeakPolarHBondContact OE1-CB 3.39Å; E168-S192 PolarHBondContact OE1-OG 3.18Å |
| 169 | Q | 95.4 | Very high | 82.9 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 143.1 | -172.4 | -168.6 | 174.5 | 20.3 | 0 | 0 | 111.8 | F167 V171 C189 V190 | F167-Q169 VanDerWaalsContact CZ-C 3.46Å; Q169-V171 HydrophobicContact CG-CG2 4.11Å; Q169-C189 CarbonylContact O-C 3.55Å; Q169-C189 WeakPolarHBondContact O-CA 3.32Å; Q169-V190 HydrophobicContact CB-CB 4Å; Q169-V190 HydrophobicContact CB-CG2 4.1Å; Q169-V190 PolarHBondContact N-O 2.97Å; Q169-V190 PolarHBondContact O-N 3.05Å |
| 170 | L | 94.4 | Very high | 81.2 | Confident | 65 Ų | 65 | 95.6 Ų | 95.6 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.8 | 168.2 | -172.8 | 71.6 | 0 | 0 | 0 | 109.1 | L154 F167 F187 L188 C189 | L154-L170 HydrophobicContact CD1-CD1 3.66Å; L154-L170 HydrophobicContact CD1-CD2 4.18Å; L154-L170 HydrophobicContact CD2-CD2 3.72Å; F167-L170 HydrophobicContact CE2-CB 3.92Å; F167-L170 HydrophobicContact CZ-CB 3.61Å; L170-F187 HydrophobicContact CD1-CB 3.72Å; L170-F187 HydrophobicContact CD1-CD1 4.01Å; L170-F187 HydrophobicContact CD1-CG 4.15Å; L170-F187 HydrophobicContact CD2-CD1 3.81Å; L170-F187 HydrophobicContact CD2-CE1 4.1Å; L170-F187 HydrophobicContact CD2-CG 4.5Å; L170-F187 HydrophobicContact CG-CB 4.37Å; L170-F187 HydrophobicContact CG-CD1 3.73Å; L170-F187 HydrophobicContact CG-CE1 4.44Å; L170-F187 HydrophobicContact CG-CG 4.37Å; L170-L188 CarbonylContact C-O 3.55Å; L170-L188 WeakPolarHBondContact CA-O 3.47Å; L170-C189 HydrophobicContact CD1-CB 4.12Å |
| 171 | V | 94.8 | Very high | 79.4 | Confident | 57 Ų | 57 | 94.3 Ų | 94.3 | 35% | 0.345 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | Q169 F187 L188 | Q169-V171 HydrophobicContact CG-CG2 4.11Å; V171-F187 CarbonylContact O-C 3.42Å; V171-F187 VanDerWaalsContact O-CA 3.29Å; V171-F187 WeakPolarHBondContact O-CA 3.47Å; V171-L188 HydrophobicContact CB-CB 4.28Å; V171-L188 PolarHBondContact N-O 3.46Å; V171-L188 PolarHBondContact O-N 3.12Å |
| 172 | N | 90.1 | Very high | 77.9 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.1 | 171.5 | -171.4 | -24.9 | 0 | 0 | 0 | 108.8 | G174 F187 | N172-G174 WeakPolarHBondContact OD1-CA 3.47Å; N172-G174 PolarHBondContact OD1-N 3.12Å; N172-F187 HydrophobicContact CB-CD1 3.92Å; N172-F187 HydrophobicContact CB-CE1 3.65Å |
| 173 | I | 87.3 | Confident | 76.7 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | trans | -95.6 | -9.4 | 178.6 | -33.6 | 172.9 | 0 | 0 | 0 | 111.5 | E186 L188 | I173-E186 PolarHBondContact N-O 3.46Å; I173-L188 HydrophobicContact CD1-CD1 3.83Å; I173-L188 HydrophobicContact CD1-CD2 3.58Å; I173-L188 HydrophobicContact CD1-CG 3.36Å; I173-L188 HydrophobicContact CG1-CD1 4.3Å; I173-L188 HydrophobicContact CG1-CG 3.87Å | ||
| 174 | G | 72.6 | Confident | 75.8 | Confident | 31 Ų | 31 | 100.4 Ų | 100.4 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | trans | 70.3 | 163.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N172 S176 | N172-G174 WeakPolarHBondContact OD1-CA 3.47Å; N172-G174 PolarHBondContact OD1-N 3.12Å; G174-S176 PolarHBondContact O-N 3.2Å | ||
| 175 | S | 66.7 | Low | 75.4 | Confident | 51 Ų | 51 | 99.3 Ų | 99.3 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | trans | -73.5 | 122.4 | 168.5 | 58.2 | 0 | 0 | 0 | 0 | 108.4 | Y177 D183 | S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.88Å; S175-D183 VanDerWaalsContact CB-OD1 3.28Å; S175-D183 WeakPolarHBondContact CB-OD1 3.43Å; S175-D183 PolarHBondContact OG-OD1 3.24Å | ||
| 176 | S | 58.3 | Low | 75.2 | Confident | 109 Ų | 109 | 100.8 Ų | 100.8 | 76% | 0.762 | 52% | 0.521 | S | S | * | . | trans | -70.3 | 92.2 | 174.3 | 60.1 | 0 | 0 | 0 | 0 | 108.9 | G174 | G174-S176 PolarHBondContact O-N 3.2Š| ||
| 177 | Y | 57.9 | Low | 75.2 | Confident | 232 Ų | 232 | 95.1 Ų | 95.1 | 91% | 0.91 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 40.3 | 78.9 | 167.6 | -63.6 | -86.4 | 0 | 0 | 0 | 115.3 | S175 | S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.88Å |
| 178 | N | 55.2 | Low | 75.2 | Confident | 94 Ų | 94 | 93 Ų | 93 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | trans | -124.6 | 98.7 | 171.4 | -145 | 12.3 | 0 | 0 | 0 | 112.1 | G180 S181 | N178-G180 PolarHBondContact O-N 3.33Å; N178-G180 VanDerWaalsContact O-N 3.1Å; N178-S181 PolarHBondContact ND2-OG 2.9Å | ||
| 179 | Y | 53.3 | Low | 75.2 | Confident | 246 Ų | 246 | 89 Ų | 89 | 97% | 0.965 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -75.4 | 94.4 | 172.2 | -125.6 | -96.2 | 0 | 0 | 0 | 108.3 | ||
| 180 | G | 54.7 | Low | 75.2 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 123.6 | 13.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | N178 | N178-G180 PolarHBondContact O-N 3.33Å; N178-G180 VanDerWaalsContact O-N 3.1Å |
| 181 | S | 54.7 | Low | 75.3 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -145.4 | 131 | 165.8 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | N178 D183 | N178-S181 PolarHBondContact ND2-OG 2.9Å; S181-D183 PolarHBondContact O-N 3.43Å |
| 182 | E | 60.5 | Low | 75.3 | Confident | 185 Ų | 185 | 79.1 Ų | 79.1 | 86% | 0.864 | 43% | 0.425 | S | S | * | . | trans | -7.2 | 99.5 | 179.4 | -77.3 | 167.7 | 98.6 | 0 | 0 | 114.2 | Q184 | E182-Q184 PolarHBondContact O-N 3.39Š| ||
| 183 | D | 64.1 | Low | 75.4 | Confident | 104 Ų | 104 | 78 Ų | 78 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | trans | -60.2 | 99.7 | 174 | -85.1 | -48.3 | 0 | 0 | 0 | 109 | S175 S181 | S175-D183 VanDerWaalsContact CB-OD1 3.28Å; S175-D183 WeakPolarHBondContact CB-OD1 3.43Å; S175-D183 PolarHBondContact OG-OD1 3.24Å; S181-D183 PolarHBondContact O-N 3.43Å | ||
| 184 | Q | 68.7 | Low | 75.6 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 118.2 | 169.2 | -66.7 | -178.7 | -9.3 | 0 | 0 | 108.3 | Q150 E152 E182 E186 | Q150-Q184 VanDerWaalsContact CD-OE1 3.31Å; E152-Q184 PolarHBondContact OE1-NE2 3.34Å; E152-Q184 PolarHBondContact OE1-OE1 3.2Å; E182-Q184 PolarHBondContact O-N 3.39Å; Q184-E186 PolarHBondContact O-N 2.85Å |
| 185 | A | 80.4 | Confident | 76 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 12% | 0.124 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 128.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E151 F187 | E151-A185 HydrophobicContact CB-CB 4.36Å; E151-A185 PolarHBondContact N-O 3.21Å; A185-F187 HydrophobicContact CB-CE2 3.8Å; A185-F187 HydrophobicContact CB-CZ 4.16Å |
| 186 | E | 89.6 | Confident | 76.5 | Confident | 75 Ų | 75 | 84 Ų | 84 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.7 | 172.9 | -69.9 | -170 | -170.5 | 0 | 0 | 111.5 | Q148 I173 Q184 | Q148-E186 PolarHBondContact NE2-OE2 3.2Å; I173-E186 PolarHBondContact N-O 3.46Å; Q184-E186 PolarHBondContact O-N 2.85Å |
| 187 | F | 91.6 | Very high | 76.4 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 10% | 0.101 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.5 | -178.2 | -65.3 | -89.7 | 0 | 0 | 0 | 112.7 | Q148 C149 E151 L170 V171 N172 A185 | Q148-F187 WeakPolarHBondContact CA-O 3.37Å; C149-F187 PolarHBondContact N-O 3.43Å; C149-F187 PolarHBondContact O-N 2.95Å; E151-F187 HydrophobicContact CB-CE2 3.85Å; E151-F187 HydrophobicContact CG-CE2 4.03Å; L170-F187 HydrophobicContact CD1-CB 3.72Å; L170-F187 HydrophobicContact CD1-CD1 4.01Å; L170-F187 HydrophobicContact CD1-CG 4.15Å; L170-F187 HydrophobicContact CD2-CD1 3.81Å; L170-F187 HydrophobicContact CD2-CE1 4.1Å; L170-F187 HydrophobicContact CD2-CG 4.5Å; L170-F187 HydrophobicContact CG-CB 4.37Å; L170-F187 HydrophobicContact CG-CD1 3.73Å; L170-F187 HydrophobicContact CG-CE1 4.44Å; L170-F187 HydrophobicContact CG-CG 4.37Å; V171-F187 CarbonylContact O-C 3.42Å; V171-F187 VanDerWaalsContact O-CA 3.29Å; V171-F187 WeakPolarHBondContact O-CA 3.47Å; N172-F187 HydrophobicContact CB-CD1 3.92Å; N172-F187 HydrophobicContact CB-CE1 3.65Å; A185-F187 HydrophobicContact CB-CE2 3.8Å; A185-F187 HydrophobicContact CB-CZ 4.16Å |
| 188 | L | 94.8 | Very high | 76.2 | Confident | 53 Ų | 53 | 76 Ų | 76 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.9 | 162.4 | -55.9 | 178.8 | 0 | 0 | 0 | 110 | V146 L147 Q148 L170 V171 I173 | V146-L188 HydrophobicContact CG1-CB 3.85Å; V146-L188 HydrophobicContact CG1-CD1 4.31Å; V146-L188 HydrophobicContact CG1-CD2 4.13Å; V146-L188 HydrophobicContact CG1-CG 4.3Å; L147-L188 CarbonylContact O-C 3.53Å; L147-L188 WeakPolarHBondContact O-CA 3.2Å; Q148-L188 HydrophobicContact CB-CD2 4.02Å; Q148-L188 HydrophobicContact CG-CD2 4.1Å; L170-L188 CarbonylContact C-O 3.55Å; L170-L188 WeakPolarHBondContact CA-O 3.47Å; V171-L188 HydrophobicContact CB-CB 4.28Å; V171-L188 PolarHBondContact N-O 3.46Å; V171-L188 PolarHBondContact O-N 3.12Å; I173-L188 HydrophobicContact CD1-CD1 3.83Å; I173-L188 HydrophobicContact CD1-CD2 3.58Å; I173-L188 HydrophobicContact CD1-CG 3.36Å; I173-L188 HydrophobicContact CG1-CD1 4.3Å; I173-L188 HydrophobicContact CG1-CG 3.87Å |
| 189 | C | 93.9 | Very high | 75.9 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 109.6 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | V146 L147 M157 F167 Q169 L170 | V146-C189 WeakPolarHBondContact CA-O 3.43Å; L147-C189 HydrophobicContact CB-CB 4.33Å; L147-C189 PolarHBondContact N-O 3.27Å; L147-C189 PolarHBondContact O-N 3Å; M157-C189 HydrophobicContact CE-CB 3.53Å; M157-C189 HydrophobicContact SD-CB 4.18Å; F167-C189 WeakPolarHBondContact CD2-SG 3.41Å; F167-C189 VanDerWaalsContact CE2-SG 3.59Å; Q169-C189 CarbonylContact O-C 3.55Å; Q169-C189 WeakPolarHBondContact O-CA 3.32Å; L170-C189 HydrophobicContact CD1-CB 4.12Å |
| 190 | V | 96.1 | Very high | 75.4 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.7 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | Y144 R145 V146 E168 Q169 | Y144-V190 HydrophobicContact CD1-CG1 4.22Å; R145-V190 WeakPolarHBondContact O-CA 3.35Å; V146-V190 HydrophobicContact CG2-CG2 4.42Å; E168-V190 HydrophobicContact CB-CB 4.35Å; E168-V190 HydrophobicContact CB-CG1 4.17Å; E168-V190 WeakPolarHBondContact CB-O 3.31Å; E168-V190 PolarHBondContact N-O 3.49Å; Q169-V190 HydrophobicContact CB-CB 4Å; Q169-V190 HydrophobicContact CB-CG2 4.1Å; Q169-V190 PolarHBondContact N-O 2.97Å; Q169-V190 PolarHBondContact O-N 3.05Å |
| 191 | V | 95.6 | Very high | 74.8 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.4 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | Y144 R145 L147 M161 W165 R166 | Y144-V191 CarbonylContact C-O 3.57Å; Y144-V191 VanDerWaalsContact CA-O 3.29Å; Y144-V191 WeakPolarHBondContact CA-O 3.46Å; R145-V191 HydrophobicContact CB-CG2 3.69Å; R145-V191 PolarHBondContact N-O 2.92Å; R145-V191 PolarHBondContact O-N 3.46Å; L147-V191 HydrophobicContact CD1-CG1 4.41Å; L147-V191 HydrophobicContact CD1-CG2 4.26Å; L147-V191 HydrophobicContact CG-CG2 4.37Å; M161-V191 HydrophobicContact CE-CB 4.46Å; M161-V191 HydrophobicContact CE-CG1 3.39Å; M161-V191 HydrophobicContact SD-CB 4.28Å; M161-V191 HydrophobicContact SD-CG1 3.8Å; W165-V191 HydrophobicContact CD2-CG2 4.31Å; W165-V191 HydrophobicContact CE3-CB 3.97Å; W165-V191 HydrophobicContact CE3-CG2 3.44Å; W165-V191 VanDerWaalsContact CE3-CG2 3.44Å; W165-V191 HydrophobicContact CZ3-CG2 3.83Å; R166-V191 CarbonylContact O-C 3.56Å; R166-V191 WeakPolarHBondContact O-CA 3.48Å; R166-V191 WeakPolarHBondContact O-CB 3.47Å |
| 192 | S | 94.9 | Very high | 74 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.4 | 175.8 | 80.2 | 0 | 0 | 0 | 0 | 111.3 | V143 W165 R166 E168 | V143-S192 CarbonylContact O-C 3.57Å; V143-S192 VanDerWaalsContact O-CA 3.25Å; V143-S192 WeakPolarHBondContact O-CA 3.31Å; W165-S192 CarbonylContact C-O 3.57Å; W165-S192 WeakPolarHBondContact CA-O 3.4Å; R166-S192 PolarHBondContact N-O 2.95Å; R166-S192 PolarHBondContact O-N 3.31Å; E168-S192 VanDerWaalsContact OE1-CB 3.3Å; E168-S192 WeakPolarHBondContact OE1-CB 3.39Å; E168-S192 PolarHBondContact OE1-OG 3.18Å |
| 193 | K | 93.3 | Very high | 73.1 | Confident | 68 Ų | 68 | 71 Ų | 71 | 30% | 0.296 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 126.5 | 168.3 | 178.9 | 154.8 | -174.6 | 164.4 | 0 | 109.4 | H142 V143 D163 G164 W165 | H142-K193 WeakPolarHBondContact CA-O 3.48Å; V143-K193 PolarHBondContact N-O 2.97Å; V143-K193 PolarHBondContact O-N 2.77Å; D163-K193 PolarHBondContact O-NZ 3.33Å; G164-K193 VanDerWaalsContact O-CG 3.28Å; G164-K193 WeakPolarHBondContact O-CG 2.99Å; W165-K193 HydrophobicContact CD2-CB 3.94Å; W165-K193 HydrophobicContact CD2-CD 4.22Å; W165-K193 HydrophobicContact CE3-CB 3.83Å; W165-K193 HydrophobicContact CG-CB 4.48Å; W165-K193 HydrophobicContact CG-CD 4.31Å; W165-K193 HydrophobicContact CH2-CB 4.22Å; W165-K193 HydrophobicContact CZ2-CB 4.36Å; W165-K193 HydrophobicContact CZ2-CD 4.34Å; W165-K193 HydrophobicContact CZ3-CB 3.99Å |
| 194 | E | 91 | Very high | 71.7 | Confident | 62 Ų | 62 | 71 Ų | 71 | 29% | 0.29 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.3 | 176 | -76.8 | 171.1 | -151.1 | 0 | 0 | 110.3 | P140 H142 R166 | P140-E194 HydrophobicContact CB-CG 4.43Å; H142-E194 VanDerWaalsContact CD2-CG 3.47Å; H142-E194 WeakPolarHBondContact CD2-CG 3.39Å; H142-E194 WeakPolarHBondContact NE2-CG 3.35Å; H142-E194 IonicContact NE2-OE1 2.79Å; H142-E194 PolarHBondContact NE2-OE1 3.29Å; R166-E194 IonicContact NH1-OE1 2.95Å; R166-E194 PolarHBondContact NH1-OE1 2.87Å |
| 195 | L | 81.6 | Confident | 70.4 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 42% | 0.424 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.7 | 171.2 | -60.2 | -177.6 | 0 | 0 | 0 | 109.9 | K141 V143 | K141-L195 HydrophobicContact CB-CB 4.35Å; K141-L195 PolarHBondContact N-O 2.92Å; K141-L195 WeakPolarHBondContact O-CA 3.47Å; K141-L195 VanDerWaalsContact O-CB 3.24Å; K141-L195 WeakPolarHBondContact O-CB 3.12Å; K141-L195 PolarHBondContact O-N 2.99Å; V143-L195 HydrophobicContact CG2-CD1 3.42Å; V143-L195 VanDerWaalsContact CG2-CD1 3.42Å; V143-L195 HydrophobicContact CG2-CD2 4.36Å; V143-L195 HydrophobicContact CG2-CG 3.81Å |
| 196 | H | 75.4 | Confident | 68.1 | Low | 158 Ų | 158 | 80.6 Ų | 80.6 | 73% | 0.731 | 47% | 0.474 | S | S | * | . | trans | -88.3 | 109 | 168.6 | -55.7 | 83.9 | 0 | 0 | 0 | 107.4 | S198 | H196-S198 PolarHBondContact O-N 2.86Š| ||
| 197 | S | 57.4 | Low | 65.9 | Low | 76 Ų | 76 | 81 Ų | 81 | 53% | 0.531 | 49% | 0.486 | S | S | . | . | trans | -85.6 | 100.2 | 170.2 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | S | 53.7 | Low | 63.4 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | trans | -71.3 | 129 | 159.9 | -75.5 | 0 | 0 | 0 | 0 | 108.8 | H196 N200 | H196-S198 PolarHBondContact O-N 2.86Å; S198-N200 PolarHBondContact O-N 3.35Å | ||
| 199 | P | 49.5 | Very low | 60.7 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -72.1 | -8.8 | 179.5 | -12.4 | 25.6 | 0 | 0 | 0 | 113.9 | Y133 | Y133-P199 HydrophobicContact CD2-CG 4.18Å; Y133-P199 HydrophobicContact CE2-CG 3.29Å; Y133-P199 VanDerWaalsContact OH-CD 3.27Å; Y133-P199 WeakPolarHBondContact OH-CD 3.49Å |
| 200 | N | 42.7 | Very low | 58.2 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | trans | -96.8 | 105.7 | -179.6 | -77.1 | 20.5 | 0 | 0 | 0 | 109.9 | S198 L202 | S198-N200 PolarHBondContact O-N 3.35Å; N200-L202 PolarHBondContact O-N 3.05Å | ||
| 201 | G | 42.4 | Very low | 55.6 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 87% | 0.866 | 61% | 0.606 | S | S | * | * | trans | -66.9 | 65 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 202 | L | 37.8 | Very low | 53.1 | Low | 143 Ų | 143 | 109.8 Ų | 109.8 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | trans | -123.1 | 112.5 | 155.4 | -67.3 | 175.7 | 0 | 0 | 0 | 105.5 | N200 S204 | N200-L202 PolarHBondContact O-N 3.05Å; L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 3.2Å | ||
| 203 | S | 40.9 | Very low | 50.6 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | trans | -51.2 | 103.1 | 166.9 | -169 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 204 | S | 33.6 | Very low | 48.5 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -124.6 | 82.4 | 171.3 | -163.3 | 0 | 0 | 0 | 0 | 106.1 | L202 S206 | L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 3.2Å; S204-S206 PolarHBondContact O-N 3.21Å | ||
| 205 | E | 43.2 | Very low | 46.5 | Very low | 192 Ų | 192 | 122.3 Ų | 122.3 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | trans | -63 | 93.9 | 159.9 | -148.1 | 179.9 | 116.9 | 0 | 0 | 106.8 | ||||
| 206 | S | 32.1 | Very low | 44.8 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -150 | 73.1 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | S204 | S204-S206 PolarHBondContact O-N 3.21Š| ||
| 207 | S | 42.8 | Very low | 43.6 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | trans | -63.8 | 133.6 | 165.6 | -131.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 208 | R | 39.4 | Very low | 43.5 | Very low | 198 Ų | 198 | 123 Ų | 123 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | trans | 66.5 | 88.8 | 149.7 | -35.9 | 172.3 | -155.7 | -159.7 | -2 | 116.2 | D163 | D163-R208 IonicContact OD2-NH1 3.77Å; D163-R208 IonicContact OD2-NH2 3.5Å; D163-R208 PolarHBondContact OD2-NH2 3.37Å | ||
| 209 | K | 38.2 | Very low | 43.4 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | trans | -123.1 | 77.2 | 150.2 | -163 | 169 | -172.1 | 173.8 | 0 | 110.8 | ||||
| 210 | T | 40.4 | Very low | 43.4 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -141 | 115.1 | 151.1 | 45 | 0 | 0 | 0 | 0 | 105.9 | ||
| 211 | K | 41.9 | Very low | 43.9 | Very low | 182 Ų | 182 | 126 Ų | 126 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | 97.4 | 76.7 | -176 | -148 | 174.6 | -169 | -170.2 | 0 | 114.7 | ||||
| 212 | S | 43.6 | Very low | 44.3 | Very low | 34 Ų | 34 | 128.3 Ų | 128.3 | 24% | 0.238 | 66% | 0.659 | C | S | . | * | trans | -142 | 34.6 | 162.5 | 79.4 | 0 | 0 | 0 | 0 | 110.8 | Q216 | S212-Q216 VanDerWaalsContact O-CG 3.3Å; S212-Q216 WeakPolarHBondContact O-CG 3.3Å; S212-Q216 PolarHBondContact O-OE1 3.23Å | ||
| 213 | T | 41.9 | Very low | 44.9 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -100.1 | -9.8 | -175.4 | -16.4 | 0 | 0 | 0 | 0 | 113.1 | L217 | T213-L217 WeakPolarHBondContact O-CD1 3.48Š|
| 214 | E | 49.8 | Very low | 45.6 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -95.8 | -44.8 | 174.2 | -82 | 169.4 | 126.9 | 0 | 0 | 111.3 | Q216 L217 E218 | E214-Q216 VanDerWaalsContact C-N 3.3Å; E214-Q216 PolarHBondContact O-N 3.46Å; E214-L217 PolarHBondContact O-N 3.34Å; E214-L217 VanDerWaalsContact O-N 3.16Å; E214-E218 PolarHBondContact O-N 3.32Å |
| 215 | E | 48 | Very low | 46.6 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 66% | 0.659 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.9 | -31 | 178.1 | -71 | 176.7 | 148.6 | 0 | 0 | 113.1 | L217 E218 E219 | E215-L217 VanDerWaalsContact C-N 3.32Å; E215-L217 PolarHBondContact O-N 3.35Å; E215-E218 PolarHBondContact O-N 2.67Å; E215-E219 PolarHBondContact O-N 2.95Å |
| 216 | Q | 46.3 | Very low | 47.2 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.9 | -18.8 | 177.6 | -71.5 | -170.3 | -33.9 | 0 | 0 | 114 | S212 E214 Q220 | S212-Q216 VanDerWaalsContact O-CG 3.3Å; S212-Q216 WeakPolarHBondContact O-CG 3.3Å; S212-Q216 PolarHBondContact O-OE1 3.23Å; E214-Q216 VanDerWaalsContact C-N 3.3Å; E214-Q216 PolarHBondContact O-N 3.46Å; Q216-Q220 PolarHBondContact O-N 2.64Å |
| 217 | L | 51 | Low | 48.3 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -84.7 | -30.9 | 175.3 | -109.8 | 113.9 | 0 | 0 | 0 | 111.6 | T213 E214 E215 Q221 | T213-L217 WeakPolarHBondContact O-CD1 3.48Å; E214-L217 PolarHBondContact O-N 3.34Å; E214-L217 VanDerWaalsContact O-N 3.16Å; E215-L217 VanDerWaalsContact C-N 3.32Å; E215-L217 PolarHBondContact O-N 3.35Å; L217-Q221 PolarHBondContact O-N 2.97Å |
| 218 | E | 53.7 | Low | 49 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 59% | 0.589 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.2 | -37.5 | 176.4 | -70.8 | 179.6 | 159.4 | 0 | 0 | 111.9 | E214 E215 Q221 Q222 | E214-E218 PolarHBondContact O-N 3.32Å; E215-E218 PolarHBondContact O-N 2.67Å; E218-Q221 PolarHBondContact O-N 2.69Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.12Å |
| 219 | E | 51.7 | Low | 49.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.6 | -30.4 | 174.3 | -73.3 | -176.6 | 152.5 | 0 | 0 | 113 | E215 Q223 | E215-E219 PolarHBondContact O-N 2.95Å; E219-Q223 PolarHBondContact O-N 2.86Å |
| 220 | Q | 50.1 | Low | 50.7 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.6 | -36.5 | 174.1 | -105.1 | 169.4 | 56.2 | 0 | 0 | 112.4 | Q216 Q223 E224 | Q216-Q220 PolarHBondContact O-N 2.64Å; Q220-Q223 PolarHBondContact O-N 2.97Å; Q220-E224 PolarHBondContact O-N 2.74Å |
| 221 | Q | 52.4 | Low | 51.5 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 59% | 0.593 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.4 | -38.2 | 174.9 | -86.1 | 175.6 | 13.5 | 0 | 0 | 112.3 | L217 E218 E224 E225 | L217-Q221 PolarHBondContact O-N 2.97Å; E218-Q221 PolarHBondContact O-N 2.69Å; Q221-E224 PolarHBondContact O-N 2.87Å; Q221-E225 PolarHBondContact O-N 2.78Å; Q221-E225 VanDerWaalsContact O-N 3.1Å |
| 222 | Q | 51.4 | Low | 52.3 | Low | 133 Ų | 133 | 118.3 Ų | 118.3 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.3 | -33.4 | 176.5 | -74.9 | 171.5 | 16.8 | 0 | 0 | 112.7 | E218 E226 | E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.12Å; Q222-E226 WeakPolarHBondContact O-CB 3.49Å; Q222-E226 PolarHBondContact O-N 2.81Å; Q222-E226 VanDerWaalsContact O-N 3.09Å |
| 223 | Q | 50.8 | Low | 52.9 | Low | 124 Ų | 124 | 123.6 Ų | 123.6 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75 | -32.1 | 175.2 | -78.9 | 173.2 | 35 | 0 | 0 | 113.2 | E219 Q220 V227 | E219-Q223 PolarHBondContact O-N 2.86Å; Q220-Q223 PolarHBondContact O-N 2.97Å; Q223-V227 WeakPolarHBondContact O-CB 3.37Å; Q223-V227 WeakPolarHBondContact O-CG2 3.46Å; Q223-V227 PolarHBondContact O-N 3.33Å; Q223-V227 VanDerWaalsContact O-N 3.15Å |
| 224 | E | 56.2 | Low | 53.3 | Low | 144 Ų | 144 | 124.8 Ų | 124.8 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 172.7 | -80.4 | -177.6 | 155 | 0 | 0 | 111.8 | Q220 Q221 E228 | Q220-E224 PolarHBondContact O-N 2.74Å; Q221-E224 PolarHBondContact O-N 2.87Å; E224-E228 PolarHBondContact O-N 2.73Å; E224-E228 VanDerWaalsContact O-N 3.08Å |
| 225 | E | 54.7 | Low | 53.6 | Low | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.7 | -38.4 | 177.1 | -140.2 | 175.9 | 172.5 | 0 | 0 | 112.1 | Q221 E228 E229 | Q221-E225 PolarHBondContact O-N 2.78Å; Q221-E225 VanDerWaalsContact O-N 3.1Å; E225-E228 PolarHBondContact O-N 2.83Å; E225-E229 PolarHBondContact O-N 3Å; E225-E229 VanDerWaalsContact O-N 3.07Å |
| 226 | E | 55 | Low | 53.8 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.3 | -31.6 | 177.1 | -161.1 | -178.9 | 166.8 | 0 | 0 | 112.4 | Q222 V230 | Q222-E226 WeakPolarHBondContact O-CB 3.49Å; Q222-E226 PolarHBondContact O-N 2.81Å; Q222-E226 VanDerWaalsContact O-N 3.09Å; E226-V230 WeakPolarHBondContact O-CG2 3.47Å; E226-V230 PolarHBondContact O-N 2.67Å |
| 227 | V | 54.4 | Low | 54.1 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 56% | 0.558 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.5 | -36.4 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | Q223 V230 E231 | Q223-V227 WeakPolarHBondContact O-CB 3.37Å; Q223-V227 WeakPolarHBondContact O-CG2 3.46Å; Q223-V227 PolarHBondContact O-N 3.33Å; Q223-V227 VanDerWaalsContact O-N 3.15Å; V227-V230 PolarHBondContact O-N 3.04Å; V227-E231 WeakPolarHBondContact O-CB 3.21Å; V227-E231 PolarHBondContact O-N 3.47Å |
| 228 | E | 57.3 | Low | 54.2 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.6 | -39 | 175 | -164 | 174.3 | 173.6 | 0 | 0 | 111.4 | E224 E225 V230 E231 V232 | E224-E228 PolarHBondContact O-N 2.73Å; E224-E228 VanDerWaalsContact O-N 3.08Å; E225-E228 PolarHBondContact O-N 2.83Å; E228-V230 PolarHBondContact O-N 2.75Å; E228-E231 PolarHBondContact O-N 2.86Å; E228-V232 WeakPolarHBondContact O-CG2 3.11Å; E228-V232 PolarHBondContact O-N 3.03Å |
| 229 | E | 57.7 | Low | 54 | Low | 150 Ų | 150 | 120.1 Ų | 120.1 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -41.3 | 175.4 | -119.6 | -173.2 | 168.6 | 0 | 0 | 112.5 | E225 E233 | E225-E229 PolarHBondContact O-N 3Å; E225-E229 VanDerWaalsContact O-N 3.07Å; E229-E233 PolarHBondContact O-N 3.35Å |
| 230 | V | 56.2 | Low | 53.7 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.8 | -33 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | E226 V227 E228 Q234 | E226-V230 WeakPolarHBondContact O-CG2 3.47Å; E226-V230 PolarHBondContact O-N 2.67Å; V227-V230 PolarHBondContact O-N 3.04Å; E228-V230 PolarHBondContact O-N 2.75Å; V230-Q234 PolarHBondContact O-N 2.89Å |
| 231 | E | 58.3 | Low | 53.6 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73 | -37.5 | 177 | -158.2 | 173.2 | 138.5 | 0 | 0 | 111.5 | V227 E228 Q234 V235 | V227-E231 WeakPolarHBondContact O-CB 3.21Å; V227-E231 PolarHBondContact O-N 3.47Å; E228-E231 PolarHBondContact O-N 2.86Å; E231-Q234 PolarHBondContact O-N 2.92Å; E231-V235 VanDerWaalsContact O-CG2 3.27Å; E231-V235 WeakPolarHBondContact O-CG2 3.33Å; E231-V235 PolarHBondContact O-N 3.47Å; E231-V235 VanDerWaalsContact O-N 3.09Å |
| 232 | V | 56.9 | Low | 53.5 | Low | 90 Ų | 90 | 118 Ų | 118 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.9 | -38.1 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | E228 Q236 | E228-V232 WeakPolarHBondContact O-CG2 3.11Å; E228-V232 PolarHBondContact O-N 3.03Å; V232-Q236 PolarHBondContact O-N 2.85Å |
| 233 | E | 56.7 | Low | 53.3 | Low | 144 Ų | 144 | 119.4 Ų | 119.4 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.8 | -41.3 | 176.2 | -157.4 | 174.1 | 141.8 | 0 | 0 | 111.5 | E229 V235 Q236 V237 | E229-E233 PolarHBondContact O-N 3.35Å; E233-V235 PolarHBondContact O-N 2.66Å; E233-Q236 PolarHBondContact O-N 2.94Å; E233-V237 WeakPolarHBondContact O-CG2 3.21Å; E233-V237 PolarHBondContact O-N 3.05Å |
| 234 | Q | 50.8 | Low | 53 | Low | 133 Ų | 133 | 122.7 Ų | 122.7 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | 176.2 | -83 | -174.7 | 30.8 | 0 | 0 | 113.7 | V230 E231 Q236 V237 E238 | V230-Q234 PolarHBondContact O-N 2.89Å; E231-Q234 PolarHBondContact O-N 2.92Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.46Å; Q234-V237 PolarHBondContact O-N 3.15Å; Q234-E238 PolarHBondContact O-N 3.17Å |
| 235 | V | 56.3 | Low | 52.3 | Low | 94 Ų | 94 | 119.9 Ų | 119.9 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.9 | -31.7 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | E231 E233 A239 | E231-V235 VanDerWaalsContact O-CG2 3.27Å; E231-V235 WeakPolarHBondContact O-CG2 3.33Å; E231-V235 PolarHBondContact O-N 3.47Å; E231-V235 VanDerWaalsContact O-N 3.09Å; E233-V235 PolarHBondContact O-N 2.66Å; V235-A239 PolarHBondContact O-N 2.86Å |
| 236 | Q | 52.7 | Low | 51.7 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.4 | -36.3 | 176.7 | -159.9 | 68.7 | 62.5 | 0 | 0 | 112.1 | V232 E233 Q234 D240 | V232-Q236 PolarHBondContact O-N 2.85Å; E233-Q236 PolarHBondContact O-N 2.94Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.46Å; Q236-D240 PolarHBondContact O-N 3.25Å |
| 237 | V | 52.8 | Low | 51.2 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 58% | 0.582 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.3 | -31.3 | 177 | -133.4 | 0 | 0 | 0 | 0 | 112.7 | E233 Q234 A241 | E233-V237 WeakPolarHBondContact O-CG2 3.21Å; E233-V237 PolarHBondContact O-N 3.05Å; Q234-V237 PolarHBondContact O-N 3.15Å; V237-A241 PolarHBondContact O-N 3.18Å |
| 238 | E | 51.9 | Low | 50.7 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.2 | -30.7 | 178 | -146.7 | 175.2 | -173.8 | 0 | 0 | 112 | Q234 | Q234-E238 PolarHBondContact O-N 3.17Å |
| 239 | A | 49.3 | Very low | 49.7 | Very low | 55 Ų | 55 | 124.5 Ų | 124.5 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69 | -39.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V235 Q242 | V235-A239 PolarHBondContact O-N 2.86Å; A239-Q242 PolarHBondContact O-N 3.04Å |
| 240 | D | 44.9 | Very low | 48.7 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72 | -29.8 | 178.5 | -109.5 | -95.7 | 0 | 0 | 0 | 112.9 | Q236 Q242 | Q236-D240 PolarHBondContact O-N 3.25Å; D240-Q242 VanDerWaalsContact C-N 3.25Å; D240-Q242 PolarHBondContact O-N 3.08Å |
| 241 | A | 49.8 | Very low | 48.1 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -69.7 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V237 | V237-A241 PolarHBondContact O-N 3.18Å |
| 242 | Q | 48.5 | Very low | 47 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.4 | -19.2 | -178.1 | -154.3 | 152.1 | -85.1 | 0 | 0 | 113.4 | A239 D240 | A239-Q242 PolarHBondContact O-N 3.04Å; D240-Q242 VanDerWaalsContact C-N 3.25Å; D240-Q242 PolarHBondContact O-N 3.08Å |
| 243 | E | 48.1 | Very low | 46.1 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77 | -27.5 | 173.2 | -163.4 | 178.5 | 122.8 | 0 | 0 | 112.3 | A245 | E243-A245 VanDerWaalsContact C-N 3.35Å; E243-A245 PolarHBondContact O-N 3.26Å |
| 244 | K | 43.7 | Very low | 45.1 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -5.7 | -177.9 | -148.7 | 173.1 | -176.4 | 178.5 | 0 | 114.9 | ||
| 245 | A | 43.1 | Very low | 44.5 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 1.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E243 | E243-A245 VanDerWaalsContact C-N 3.35Å; E243-A245 PolarHBondContact O-N 3.26Å |
| 246 | Q | 42.2 | Very low | 44 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -111 | 25.3 | -178.4 | -98.3 | -176.3 | -11.3 | 0 | 0 | 115.3 | ||
| 247 | S | 42.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -138.7 | 73.2 | 170 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 248 | S | 44.5 | Very low | 43.5 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | 171.4 | 98.4 | 141.5 | 31.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 249 | Q | 36.8 | Very low | 43.8 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 95% | 0.949 | 75% | 0.753 | S | S | * | * | trans | -139.2 | 109.5 | 152.3 | -79.7 | -168.9 | -28 | 0 | 0 | 109.7 | ||||
| 250 | D | 37.2 | Very low | 43.6 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -89.9 | 134.4 | 159.5 | -126.1 | -38.9 | 0 | 0 | 0 | 107.4 | ||||
| 251 | P | 43.2 | Very low | 44.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -103.9 | 117.8 | -173.8 | 34.8 | -25.9 | 0 | 0 | 0 | 112.2 | ||||
| 252 | A | 35.7 | Very low | 45.1 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -175.4 | 150.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 253 | N | 36.8 | Very low | 45.3 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 83.3 | 103.6 | 171.4 | -67.5 | -48.6 | 0 | 0 | 0 | 116.3 | ||||
| 254 | L | 36.8 | Very low | 45.6 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | 71.3 | 117.5 | 56.5 | -145.9 | 84 | 0 | 0 | 0 | 112.9 | |||||
| 255 | F | 37.8 | Very low | 45.6 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | trans | 104.2 | 111.5 | 163.7 | -76.7 | -82.9 | 0 | 0 | 0 | 120.9 | ||||
| 256 | S | 45 | Very low | 46.5 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 70 | 113 | 135.3 | -63.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 257 | L | 45.2 | Very low | 46.2 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -153.1 | 152 | 135.2 | -81.5 | -172.1 | 0 | 0 | 0 | 112 | ||||
| 258 | P | 50.7 | Low | 45.8 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 173 | -161.6 | 38 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 259 | P | 57 | Low | 45.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 153.6 | -165.4 | 33 | -33.2 | 0 | 0 | 0 | 114.8 | ||
| 260 | L | 46.8 | Very low | 45.1 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 150 | -178.9 | -84.4 | 91.5 | 0 | 0 | 0 | 114.1 | ||
| 261 | P | 59 | Low | 45.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 155.5 | 168.9 | 34.7 | -31.6 | 0 | 0 | 0 | 113.6 | ||
| 262 | P | 65.4 | Low | 45.4 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 166.4 | -176 | 35.8 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 263 | P | 53 | Low | 45.2 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.5 | -175.3 | 35.8 | -33 | 0 | 0 | 0 | 112.1 | ||
| 264 | P | 54 | Low | 45.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 135.8 | 167.7 | 33.1 | -24.4 | 0 | 0 | 0 | 112.5 | ||
| 265 | L | 45 | Very low | 45 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -98.6 | -174.2 | 157.6 | -65.9 | 167.9 | 0 | 0 | 0 | 109.1 | ||||
| 266 | P | 60.6 | Low | 44.9 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | -112.9 | 174.6 | -107.9 | 27.7 | -4.6 | 0 | 0 | 0 | 112.8 | |||||
| 267 | A | 36.1 | Very low | 44.8 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 156.7 | 131.4 | 137 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 268 | G | 34.8 | Very low | 44.4 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | 64.8 | 127.7 | 124.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 269 | G | 32.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 164.6 | 127.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 270 | S | 34.3 | Very low | 42.8 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 153.3 | -165.8 | -48.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 271 | R | 36.9 | Very low | 42.3 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | 73.8 | 167.6 | 141.9 | -84 | 180 | 169.7 | -143.2 | -1.9 | 119.4 | ||||
| 272 | P | 49.9 | Very low | 41.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | cis | -141.1 | -177.3 | -22.5 | 29.4 | -5.3 | 0 | 0 | 0 | 116.4 | ||||
| 273 | H | 32.2 | Very low | 39.7 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 72.9 | 139 | 164.8 | -61.5 | -73 | 0 | 0 | 0 | 117.3 | ||||
| 274 | S | 33.2 | Very low | 39 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | -169 | 140.8 | 41.3 | -157 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 275 | L | 35.8 | Very low | 38.1 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 176.2 | 147.4 | 75.9 | -85.1 | 167.4 | 0 | 0 | 0 | 109 | |||||
| 276 | R | 35.9 | Very low | 38.1 | Very low | 237 Ų | 237 | 137.4 Ų | 137.4 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -9.2 | 146 | 170.7 | -79.3 | 175.1 | 159.5 | -176.8 | -6.9 | 123 | ||||
| 277 | P | 43.5 | Very low | 37.6 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -100 | 155.7 | 156.4 | 37 | -26.9 | 0 | 0 | 0 | 113.1 | ||||
| 278 | E | 36.2 | Very low | 37.9 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 151.6 | 165.2 | -93.3 | -136.6 | 101.3 | 0 | 0 | 111.6 | ||||
| 279 | A | 37.4 | Very low | 38.5 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 80.3 | 91.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 280 | E | 36 | Very low | 38.8 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -47.5 | 139.6 | 149.2 | -157.7 | -157.2 | 126.4 | 0 | 0 | 113.7 | ||||
| 281 | L | 37.6 | Very low | 38.9 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | -164.8 | 130.4 | 119.1 | -142.3 | 78.8 | 0 | 0 | 0 | 111.8 | |||||
| 282 | A | 34.4 | Very low | 39.5 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 60% | 0.603 | 80% | 0.802 | S | S | * | * | trans | -77.5 | 167.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 283 | V | 35.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | 139.6 | 120.1 | 123.4 | 172.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 284 | R | 36.3 | Very low | 39.9 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | 64.2 | 117 | 150 | -75.4 | 160.3 | 118.2 | -176.1 | 1.3 | 119 | ||||
| 285 | A | 36 | Very low | 40.2 | Very low | 93 Ų | 93 | 151.1 Ų | 151.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 77.1 | 122.7 | 69.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 286 | S | 44.6 | Very low | 40.2 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -52.2 | 167.3 | -177.9 | -49 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 287 | P | 50.6 | Low | 40.4 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -137.5 | 146.4 | 124.3 | 29.1 | -11.9 | 0 | 0 | 0 | 114.7 | |||||
| 288 | R | 41.6 | Very low | 40.7 | Very low | 239 Ų | 239 | 145.8 Ų | 145.8 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -82.1 | 165.7 | 159.2 | -103.2 | -172 | -176.6 | -147.2 | 2.3 | 110.3 | ||||
| 289 | P | 49.1 | Very low | 40.8 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -94.6 | 154.3 | -156 | 37.1 | -34 | 0 | 0 | 0 | 113.3 | ||||
| 290 | L | 37.3 | Very low | 40.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -151.3 | 135.5 | 164.4 | -100.7 | 164.2 | 0 | 0 | 0 | 112 | ||||
| 291 | A | 37.6 | Very low | 40.8 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | 70.5 | 109.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 292 | R | 49.3 | Very low | 41.4 | Very low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -85.7 | 144.3 | 152.9 | -166.5 | -175.4 | -164.1 | -156.3 | 4.8 | 108.7 | ||||
| 293 | P | 48.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -122.3 | 151.3 | 151 | 21.1 | -2.5 | 0 | 0 | 0 | 113.2 | ||||
| 294 | Q | 41.3 | Very low | 42.6 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -83.2 | 155.7 | 174.8 | -61.5 | 171.6 | -16.7 | 0 | 0 | 111.7 | ||||
| 295 | S | 40.3 | Very low | 43.4 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 164.6 | 153.7 | 133.2 | 66.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 296 | C | 35.7 | Very low | 44.2 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 73% | 0.73 | 83% | 0.829 | S | S | * | * | cis | -172.2 | 139.9 | -12.5 | -99.7 | 0 | 0 | 0 | 0 | 103 | ||||
| 297 | H | 40.6 | Very low | 43.9 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -163.9 | 131.4 | 139.6 | -101.7 | -66.3 | 0 | 0 | 0 | 109.8 | ||||
| 298 | P | 49.5 | Very low | 43.3 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 69% | 0.688 | 83% | 0.828 | S | S | * | * | trans | -96 | 137.9 | -178.6 | 35.4 | -28.6 | 0 | 0 | 0 | 110.8 | ||||
| 299 | C | 37.8 | Very low | 43.2 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -135.7 | 105.7 | 157.5 | -107.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 300 | C | 36.8 | Very low | 43 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -62.5 | 128.6 | 168.7 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 301 | Y | 36.7 | Very low | 43.9 | Very low | 231 Ų | 231 | 142 Ų | 142 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -138.2 | 116.1 | 153.4 | -115.9 | -90.2 | 0 | 0 | 0 | 108.3 | ||||
| 302 | K | 49.3 | Very low | 44.1 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 148.7 | 170 | -84.5 | 175.1 | 166.9 | 178.3 | 0 | 109.4 | ||
| 303 | P | 52.3 | Low | 43.9 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -95 | 123.5 | 151.6 | 15 | 1.8 | 0 | 0 | 0 | 110.2 | ||
| 304 | E | 42.5 | Very low | 44.1 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 150.4 | 166.6 | -72.4 | -177.2 | 100.3 | 0 | 0 | 110.8 | ||
| 305 | A | 53.2 | Low | 44.2 | Very low | 93 Ų | 93 | 143 Ų | 143 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 154.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 306 | P | 52.7 | Low | 44.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 119.6 | 166.5 | 32.7 | -26.3 | 0 | 0 | 0 | 110 | ||
| 307 | G | 39.4 | Very low | 44.9 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -161.1 | 109.4 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 308 | C | 36.8 | Very low | 44.9 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | 175.1 | 126.8 | 143.3 | -91.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 309 | E | 39.4 | Very low | 44.5 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -58.8 | 154 | 175 | -60.3 | 173.3 | 95.1 | 0 | 0 | 112.6 | ||||
| 310 | A | 46.9 | Very low | 45.6 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -118.5 | 128.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 311 | P | 55.4 | Low | 46.3 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | trans | -95.8 | 155 | 179.5 | 35.5 | -31.3 | 0 | 0 | 0 | 113.6 | ||||
| 312 | D | 42 | Very low | 46.8 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 84% | 0.835 | S | S | * | * | trans | 64.9 | 102.7 | 142.4 | -65 | -37 | 0 | 0 | 0 | 122.1 | ||||
| 313 | H | 45.7 | Very low | 46.7 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | 29.9 | 106.3 | 110.4 | -79.5 | -66.8 | 0 | 0 | 0 | 119.1 | |||||
| 314 | L | 50.8 | Low | 46.4 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | trans | -148.1 | 103.6 | 140.9 | -112.3 | 113.5 | 0 | 0 | 0 | 106.9 | ||||
| 315 | Q | 45.1 | Very low | 46.6 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | 61.3 | 121.1 | 86.5 | -72 | -171.4 | 6.3 | 0 | 0 | 115.4 | |||||
| 316 | G | 39.5 | Very low | 46.2 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | 100.7 | 127.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 317 | L | 50.1 | Low | 45.8 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | cis | -155.8 | 135 | 20.4 | -74.7 | 161.6 | 0 | 0 | 0 | 108 | ||||
| 318 | G | 39.9 | Very low | 46.2 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | trans | -77.4 | 155.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 319 | V | 42.3 | Very low | 46.9 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | -165.5 | 134.4 | 115 | 177 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 320 | P | 59.8 | Low | 47.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | trans | -100.5 | 146.9 | 170.9 | 36.5 | -28.1 | 0 | 0 | 0 | 112.2 | ||||
| 321 | I | 53.1 | Low | 47.6 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 100% | 1.246 | 83% | 0.829 | S | S | * | * | trans | -146.6 | 0 | 138.4 | -51.4 | -176.8 | 0 | 0 | 0 | 106.9 |
Retrieved 321 of 321 residues in 45.7 ms
(Link to these results)