| 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 | 48.2 | Very low | 49.7 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 100% | 1.167 | 86% | 0.86 | S | S | * | * | 0 | 110.1 | 0 | -80.2 | 132.7 | 87.9 | 0 | 0 | 107.9 | |||||
| 2 | S | 48.1 | Very low | 49.7 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | trans | -141.1 | 97.1 | 172.9 | -56.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | T | 51.7 | Low | 49.3 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 79% | 0.791 | 85% | 0.848 | S | S | * | * | trans | -92.4 | 119.3 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | I | 61.2 | Low | 48.7 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 80% | 0.795 | 85% | 0.851 | S | S | * | * | trans | -112 | 121.9 | 171.3 | -54.8 | 175.5 | 0 | 0 | 0 | 107.2 | ||||
| 5 | R | 59.1 | Low | 48 | Very low | 226 Ų | 226 | 147.5 Ų | 147.5 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -84.1 | 138.1 | -175.3 | -68.6 | -174.8 | 171.7 | -174 | -1.9 | 110.5 | ||||
| 6 | F | 51.2 | Low | 47.1 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 91% | 0.912 | 85% | 0.846 | S | S | * | * | trans | -78.4 | 123.1 | 166.9 | -71.4 | -87.4 | 0 | 0 | 0 | 109.6 | ||||
| 7 | G | 42.8 | Very low | 47 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | -100 | 101.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | S | 51.1 | Low | 46.4 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -84.8 | 128.3 | 160.4 | -60.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 9 | T | 48.6 | Very low | 46.3 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -132.8 | 130.8 | 159.9 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | C | 46 | Very low | 45.7 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | trans | -117.9 | 129 | -179 | 36.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | S | 38.2 | Very low | 45.3 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | 67.9 | 158.4 | 148.9 | -69.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 12 | P | 49.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -139.5 | 165.6 | 30.8 | 39.6 | -19 | 0 | 0 | 0 | 119 | ||||
| 13 | S | 45.4 | Very low | 44.4 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -53.9 | 143.4 | 169.9 | -40.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 14 | K | 39.9 | Very low | 43.5 | Very low | 206 Ų | 206 | 149.3 Ų | 149.3 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -121.4 | 111.6 | 160.5 | -102.3 | -177.5 | 176.7 | -179.6 | 0 | 110.6 | ||||
| 15 | T | 38.8 | Very low | 42.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -77.3 | 128.5 | 164.8 | -45.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 16 | T | 33.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -144.2 | 118 | 156.4 | -12.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 17 | L | 46.2 | Very low | 40.8 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -105.7 | 120.2 | 178.8 | -161.1 | 168.2 | 0 | 0 | 0 | 106.4 | ||||
| 18 | A | 35 | Very low | 40.8 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -156.6 | 116.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | E | 44.5 | Very low | 40.6 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 156.4 | 177.2 | -76.4 | 171.8 | 110.6 | 0 | 0 | 112.9 | ||||
| 20 | T | 35.2 | Very low | 40.5 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | 142.4 | 89.3 | 127.3 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 21 | L | 37.6 | Very low | 40.5 | Very low | 159 Ų | 159 | 153 Ų | 153 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 44.9 | 161.3 | 136 | -78.3 | 162.6 | 0 | 0 | 0 | 122.3 | ||||
| 22 | P | 46 | Very low | 41.3 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | -128.5 | 125 | -57.5 | 29.2 | -10.5 | 0 | 0 | 0 | 110.2 | |||||
| 23 | R | 31.5 | Very low | 41.6 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -157 | 101.6 | 174 | -152.2 | 152.9 | 64.9 | -166 | 1.6 | 112.3 | N25 | R23-N25 PolarHBondContact O-N 3.24Š| ||
| 24 | W | 32.7 | Very low | 42.4 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | trans | 30.5 | 80.2 | 162.2 | -51.8 | 92.4 | 0 | 0 | 0 | 114.1 | D26 | W24-D26 PolarHBondContact O-N 3.37Š| ||
| 25 | N | 33.8 | Very low | 43.4 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -75 | 111.1 | 163.5 | -72.6 | -20.9 | 0 | 0 | 0 | 106.9 | R23 E27 | R23-N25 PolarHBondContact O-N 3.24Å; N25-E27 PolarHBondContact O-N 2.83Å | ||
| 26 | D | 41.3 | Very low | 44.6 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -51.7 | 86.1 | 151.9 | -58.3 | -66.9 | 0 | 0 | 0 | 107.6 | W24 E28 | W24-D26 PolarHBondContact O-N 3.37Å; D26-E28 PolarHBondContact O-N 2.93Å | ||
| 27 | E | 39.9 | Very low | 46.1 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 90.8 | 161.8 | -67.4 | -164.5 | 137.8 | 0 | 0 | 105.4 | N25 G29 | N25-E27 PolarHBondContact O-N 2.83Å; E27-G29 PolarHBondContact O-N 2.75Å | ||
| 28 | E | 42.1 | Very low | 47.3 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -48.2 | 92.4 | 152.4 | -69.3 | -169.6 | 150.8 | 0 | 0 | 106.4 | D26 E30 | D26-E28 PolarHBondContact O-N 2.93Å; E28-E30 PolarHBondContact O-N 3.3Å | ||
| 29 | G | 46.1 | Very low | 49.7 | Very low | 62 Ų | 62 | 141.8 Ų | 141.8 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | -51.7 | 114.8 | 170 | 0 | 0 | 0 | 0 | 0 | 105.9 | E27 K31 | E27-G29 PolarHBondContact O-N 2.75Å; G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 2.96Å | ||
| 30 | E | 48.1 | Very low | 51.7 | Low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | -38.8 | 103.8 | 168.2 | -160.7 | 154.9 | 147 | 0 | 0 | 106.5 | E28 A32 | E28-E30 PolarHBondContact O-N 3.3Å; E30-A32 PolarHBondContact O-N 2.74Å | ||
| 31 | K | 44.9 | Very low | 54.2 | Low | 198 Ų | 198 | 135 Ų | 135 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -62.2 | 96.5 | 173.4 | -107.6 | -169.5 | 176.5 | -166.8 | 0 | 103.3 | G29 D33 | G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 2.96Å; K31-D33 VanDerWaalsContact C-N 3.31Å; K31-D33 PolarHBondContact O-N 2.77Å | ||
| 32 | A | 55.2 | Low | 56.8 | Low | 72 Ų | 72 | 131.7 Ų | 131.7 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | trans | -46.5 | 111.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | E30 | E30-A32 PolarHBondContact O-N 2.74Š| ||
| 33 | D | 56.3 | Low | 59.1 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | -40.9 | 139.2 | 166.5 | -95.7 | -52.7 | 0 | 0 | 0 | 107 | K31 E35 | K31-D33 VanDerWaalsContact C-N 3.31Å; K31-D33 PolarHBondContact O-N 2.77Å; D33-E35 PolarHBondContact O-N 2.88Å | ||
| 34 | P | 62.1 | Low | 62 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | trans | -61.9 | 86.8 | 176.2 | 26.3 | -32 | 0 | 0 | 0 | 107.4 | D36 | P34-D36 PolarHBondContact O-N 3.49Š| ||
| 35 | E | 60.3 | Low | 64.9 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | trans | -63 | 105.2 | 179.3 | 28.8 | -174.9 | 151.9 | 0 | 0 | 105.2 | D33 A37 | D33-E35 PolarHBondContact O-N 2.88Å; E35-A37 PolarHBondContact O-N 3.32Å | ||
| 36 | D | 64.9 | Low | 67.8 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | trans | -41.2 | 101 | -174.6 | -175.8 | -2.7 | 0 | 0 | 0 | 109.7 | P34 C38 D39 | P34-D36 PolarHBondContact O-N 3.49Å; D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 WeakPolarHBondContact OD1-CB 3.4Å; D36-C38 PolarHBondContact OD1-N 3.46Å; D36-C38 VanDerWaalsContact OD1-N 3.17Å; D36-D39 PolarHBondContact O-N 2.91Å | ||
| 37 | A | 64.3 | Low | 70.2 | Confident | 80 Ų | 80 | 105 Ų | 105 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -11 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E35 | E35-A37 PolarHBondContact O-N 3.32Š|
| 38 | C | 71.1 | Confident | 72.7 | Confident | 107 Ų | 107 | 97.3 Ų | 97.3 | 72% | 0.723 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 6.1 | 178.2 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | D36 P40 | D36-C38 PolarHBondContact O-N 3.31Å; D36-C38 WeakPolarHBondContact OD1-CB 3.4Å; D36-C38 PolarHBondContact OD1-N 3.46Å; D36-C38 VanDerWaalsContact OD1-N 3.17Å; C38-P40 WeakPolarHBondContact O-CD 3.38Å |
| 39 | D | 85.1 | Confident | 75 | Confident | 64 Ų | 64 | 90.4 Ų | 90.4 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | trans | -56.5 | 113.7 | 179.1 | 174 | 21.1 | 0 | 0 | 0 | 111.4 | D36 N41 K42 | D36-D39 PolarHBondContact O-N 2.91Å; D39-N41 PolarHBondContact O-N 3.39Å; D39-N41 PolarHBondContact OD1-N 3.47Å; D39-K42 HydrophobicContact CB-CB 4.23Å; D39-K42 WeakPolarHBondContact O-CB 3.42Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 PolarHBondContact OD2-N 3.21Å | ||
| 40 | P | 86.9 | Confident | 77.2 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.3 | -178.2 | 27.2 | -35.7 | 0 | 0 | 0 | 113.2 | C38 C57 | C38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-C57 HydrophobicContact CB-CB 4.23Å; P40-C57 PolarHBondContact O-N 3.15Å; P40-C57 PolarHBondContact O-SG 3.31Å; P40-C57 VanDerWaalsContact O-SG 3.41Å |
| 41 | N | 88.6 | Confident | 79.3 | Confident | 86 Ų | 86 | 93 Ų | 93 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.1 | 179.8 | -64.3 | -65 | 0 | 0 | 0 | 113.6 | D39 L43 R55 | D39-N41 PolarHBondContact O-N 3.39Å; D39-N41 PolarHBondContact OD1-N 3.47Å; N41-L43 PolarHBondContact O-N 3.34Å; N41-R55 PolarHBondContact OD1-NH1 2.88Å |
| 42 | K | 92.2 | Very high | 81.6 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 39% | 0.387 | 48% | 0.482 | S | S | . | . | trans | -53.3 | 128 | 176 | -173 | 167 | -174.2 | 160.9 | 0 | 110.5 | D39 R55 A56 | D39-K42 HydrophobicContact CB-CB 4.23Å; D39-K42 WeakPolarHBondContact O-CB 3.42Å; D39-K42 PolarHBondContact O-N 3.35Å; D39-K42 PolarHBondContact OD2-N 3.21Å; K42-R55 CarbonylContact O-C 3.48Å; K42-R55 WeakPolarHBondContact O-CA 3.11Å; K42-A56 PolarHBondContact O-N 3.35Å | ||
| 43 | L | 93.1 | Very high | 83.5 | Confident | 97 Ų | 97 | 89.7 Ų | 89.7 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.5 | 178.9 | -66.1 | 176 | 0 | 0 | 0 | 109.9 | N41 R55 | N41-L43 PolarHBondContact O-N 3.34Å; L43-R55 HydrophobicContact CD2-CG 3.78Å |
| 44 | L | 92.3 | Very high | 85.4 | Confident | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.168 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.3 | 175.8 | -57.2 | 178 | 0 | 0 | 0 | 109.2 | I54 A56 F59 R85 | L44-I54 PolarHBondContact N-O 2.59Å; L44-I54 PolarHBondContact O-N 3.21Å; L44-A56 HydrophobicContact CD1-CB 3.96Å; L44-A56 HydrophobicContact CG-CB 4.32Å; L44-F59 HydrophobicContact CB-CD2 3.63Å; L44-F59 HydrophobicContact CB-CE2 3.58Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 4.2Å; L44-F59 HydrophobicContact CD1-CB 4.12Å; L44-F59 HydrophobicContact CD1-CD1 4.14Å; L44-F59 HydrophobicContact CD1-CD2 4.05Å; L44-F59 HydrophobicContact CD1-CE2 4.46Å; L44-F59 HydrophobicContact CD1-CG 3.87Å; L44-F59 HydrophobicContact CG-CD2 4.46Å; L44-R85 VanDerWaalsContact CD1-NH2 3.32Å |
| 45 | Q | 95.2 | Very high | 86.9 | Confident | 110 Ų | 110 | 84.7 Ų | 84.7 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.1 | 176.2 | -173.6 | 174.7 | -25.1 | 0 | 0 | 110.8 | H52 F59 | Q45-H52 WeakPolarHBondContact CA-O 3.4Å; Q45-F59 WeakPolarHBondContact O-CE2 3.32Å; Q45-F59 WeakPolarHBondContact O-CZ 3.48Å |
| 46 | C | 94.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.02 | 41% | 0.414 | C | S | . | . | trans | -73.8 | 136.9 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | Y48 D49 H52 H62 | C46-Y48 VanDerWaalsContact C-N 3.32Å; C46-Y48 PolarHBondContact O-N 2.81Å; C46-Y48 PolarHBondContact SG-N 2.85Å; C46-Y48 VanDerWaalsContact SG-N 3.38Å; C46-D49 WeakPolarHBondContact CB-O 3.43Å; C46-D49 CarbonylContact O-C 3.51Å; C46-H52 HydrophobicContact CB-CB 3.68Å; C46-H52 PolarHBondContact N-O 3.29Å; C46-H62 WeakPolarHBondContact CB-NE2 3.35Å; C46-H62 PolarHBondContact SG-NE2 3.02Å | ||
| 47 | P | 91.6 | Very high | 89.8 | Confident | 66 Ų | 66 | 77 Ų | 77 | 43% | 0.429 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -71.1 | -23.6 | 175.4 | -24.5 | 38.8 | 0 | 0 | 0 | 114.3 | L77 L87 | P47-L77 HydrophobicContact CB-CD1 4.33Å; P47-L87 HydrophobicContact CB-CD1 4.36Å; P47-L87 HydrophobicContact CG-CD1 3.75Å |
| 48 | Y | 92.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 81.2 Ų | 81.2 | 8% | 0.075 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -82.1 | -28.8 | 179.2 | -58.2 | -59.2 | 0 | 0 | 0 | 112.9 | C46 L63 C66 L73 A74 L77 L87 | C46-Y48 VanDerWaalsContact C-N 3.32Å; C46-Y48 PolarHBondContact O-N 2.81Å; C46-Y48 PolarHBondContact SG-N 2.85Å; C46-Y48 VanDerWaalsContact SG-N 3.38Å; Y48-L63 HydrophobicContact CD2-CD2 4.3Å; Y48-L63 HydrophobicContact CE2-CD2 4.05Å; Y48-C66 HydrophobicContact CD2-CB 3.99Å; Y48-L73 HydrophobicContact CD1-CB 3.77Å; Y48-L73 HydrophobicContact CE1-CB 4.28Å; Y48-L73 WeakPolarHBondContact O-CD1 3.44Å; Y48-A74 HydrophobicContact CE1-CB 4.4Å; Y48-L77 HydrophobicContact CD1-CD1 4.24Å; Y48-L77 HydrophobicContact CE1-CB 4.39Å; Y48-L77 HydrophobicContact CE1-CD1 3.94Å; Y48-L87 VanDerWaalsContact OH-CD2 3.29Å; Y48-L87 WeakPolarHBondContact OH-CD2 3.16Å |
| 49 | D | 90.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 76.7 Ų | 76.7 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | trans | -149.9 | 123.3 | -177.9 | -174.3 | -8.2 | 0 | 0 | 0 | 110.5 | C46 N51 H52 | C46-D49 WeakPolarHBondContact CB-O 3.43Å; C46-D49 CarbonylContact O-C 3.51Å; D49-N51 PolarHBondContact O-N 3.47Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-OD1 3.35Å; D49-H52 PolarHBondContact O-N 2.66Å; D49-H52 IonicContact OD2-CE1 3.46Å; D49-H52 PolarHBondContact OD2-CE1 2.77Å; D49-H52 IonicContact OD2-ND1 3.75Å; D49-H52 IonicContact OD2-NE2 3.91Å | ||
| 50 | K | 91.3 | Very high | 92.8 | Very high | 166 Ų | 166 | 75.7 Ų | 75.7 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.4 | -178.2 | -59.6 | -176.7 | -178.3 | -179.1 | 0 | 112.8 | H52 | K50-H52 VanDerWaalsContact C-N 3.28Å; K50-H52 PolarHBondContact O-N 2.99Å |
| 51 | N | 93.3 | Very high | 93.2 | Very high | 142 Ų | 142 | 80.2 Ų | 80.2 | 76% | 0.759 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.7 | -179.7 | -66.7 | 70 | 0 | 0 | 0 | 112.6 | D49 | D49-N51 PolarHBondContact O-N 3.47Å; D49-N51 WeakPolarHBondContact OD1-CB 3.4Å; D49-N51 PolarHBondContact OD1-N 3.38Å; D49-N51 PolarHBondContact OD1-OD1 3.35Å |
| 52 | H | 92.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 77.4 Ų | 77.4 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | trans | -90.6 | 118.1 | 178.5 | -67.8 | 146.3 | 0 | 0 | 0 | 112 | Q45 C46 D49 K50 I54 H62 | Q45-H52 WeakPolarHBondContact CA-O 3.4Å; C46-H52 HydrophobicContact CB-CB 3.68Å; C46-H52 PolarHBondContact N-O 3.29Å; D49-H52 PolarHBondContact O-N 2.66Å; D49-H52 IonicContact OD2-CE1 3.46Å; D49-H52 PolarHBondContact OD2-CE1 2.77Å; D49-H52 IonicContact OD2-ND1 3.75Å; D49-H52 IonicContact OD2-NE2 3.91Å; K50-H52 VanDerWaalsContact C-N 3.28Å; K50-H52 PolarHBondContact O-N 2.99Å; H52-I54 HydrophobicContact CB-CD1 4.43Å; H52-I54 HydrophobicContact CB-CG1 4.38Å; H52-H62 AromaticContact CG-CE1 3.8Å; H52-H62 AromaticContact ND1-CE1 3.57Å; H52-H62 AromaticContact ND1-NE2 3.85Å | ||
| 53 | Q | 95.1 | Very high | 93.6 | Very high | 132 Ų | 132 | 73.4 Ų | 73.4 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.6 | 166.8 | -67.2 | -172.3 | -18.7 | 0 | 0 | 109.7 | ||
| 54 | I | 94.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.6 | -169.1 | -51.1 | -66.8 | 0 | 0 | 0 | 109.4 | L44 H52 R58 F59 H62 | L44-I54 PolarHBondContact N-O 2.59Å; L44-I54 PolarHBondContact O-N 3.21Å; H52-I54 HydrophobicContact CB-CD1 4.43Å; H52-I54 HydrophobicContact CB-CG1 4.38Å; I54-R58 HydrophobicContact CG2-CB 4.06Å; I54-F59 HydrophobicContact CB-CD2 4.12Å; I54-F59 HydrophobicContact CG2-CD2 4.48Å; I54-H62 HydrophobicContact CG1-CB 4.25Å; I54-H62 HydrophobicContact CG2-CB 3.92Å |
| 55 | R | 95.3 | Very high | 93.8 | Very high | 122 Ų | 122 | 78.5 Ų | 78.5 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 141.6 | 175 | -61.3 | -175.8 | -170.7 | -174.7 | 2.9 | 111.3 | N41 K42 L43 C57 R58 F59 | N41-R55 PolarHBondContact OD1-NH1 2.88Å; K42-R55 CarbonylContact O-C 3.48Å; K42-R55 WeakPolarHBondContact O-CA 3.11Å; L43-R55 HydrophobicContact CD2-CG 3.78Å; R55-C57 PolarHBondContact O-N 3.33Å; R55-C57 VanDerWaalsContact O-N 3.15Å; R55-R58 PolarHBondContact O-N 3.17Å; R55-F59 PolarHBondContact O-N 3.44Å; R55-F59 VanDerWaalsContact O-N 3.09Å |
| 56 | A | 93.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -50.7 | -42.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K42 L44 R58 F59 | K42-A56 PolarHBondContact O-N 3.35Å; L44-A56 HydrophobicContact CD1-CB 3.96Å; L44-A56 HydrophobicContact CG-CB 4.32Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 3.13Å; A56-F59 WeakPolarHBondContact O-CB 3.4Å; A56-F59 PolarHBondContact O-N 3.45Å |
| 57 | C | 92.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 74.7 Ų | 74.7 | 53% | 0.527 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -62.9 | -27.2 | 178.9 | 64 | 0 | 0 | 0 | 0 | 114.6 | P40 R55 | P40-C57 HydrophobicContact CB-CB 4.23Å; P40-C57 PolarHBondContact O-N 3.15Å; P40-C57 PolarHBondContact O-SG 3.31Å; P40-C57 VanDerWaalsContact O-SG 3.41Å; R55-C57 PolarHBondContact O-N 3.33Å; R55-C57 VanDerWaalsContact O-N 3.15Å |
| 58 | R | 94.6 | Very high | 93.8 | Very high | 169 Ų | 169 | 79.1 Ų | 79.1 | 64% | 0.638 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -101.4 | -4.3 | 179.4 | -70.2 | -171.7 | 176.6 | 161.3 | 0.6 | 113.2 | I54 R55 A56 Y61 H62 | I54-R58 HydrophobicContact CG2-CB 4.06Å; R55-R58 PolarHBondContact O-N 3.17Å; A56-R58 VanDerWaalsContact C-N 3.27Å; A56-R58 PolarHBondContact O-N 3.13Å; R58-Y61 PolarHBondContact O-N 3.2Å; R58-H62 PolarHBondContact O-N 3.21Å |
| 59 | F | 94.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 83.8 Ų | 83.8 | 5% | 0.048 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | -174.3 | -162.9 | -105.8 | 0 | 0 | 0 | 113 | L44 Q45 I54 R55 A56 Y61 H62 L63 R85 | L44-F59 HydrophobicContact CB-CD2 3.63Å; L44-F59 HydrophobicContact CB-CE2 3.58Å; L44-F59 HydrophobicContact CB-CG 4.3Å; L44-F59 HydrophobicContact CB-CZ 4.2Å; L44-F59 HydrophobicContact CD1-CB 4.12Å; L44-F59 HydrophobicContact CD1-CD1 4.14Å; L44-F59 HydrophobicContact CD1-CD2 4.05Å; L44-F59 HydrophobicContact CD1-CE2 4.46Å; L44-F59 HydrophobicContact CD1-CG 3.87Å; L44-F59 HydrophobicContact CG-CD2 4.46Å; Q45-F59 WeakPolarHBondContact O-CE2 3.32Å; Q45-F59 WeakPolarHBondContact O-CZ 3.48Å; I54-F59 HydrophobicContact CB-CD2 4.12Å; I54-F59 HydrophobicContact CG2-CD2 4.48Å; R55-F59 PolarHBondContact O-N 3.44Å; R55-F59 VanDerWaalsContact O-N 3.09Å; A56-F59 WeakPolarHBondContact O-CB 3.4Å; A56-F59 PolarHBondContact O-N 3.45Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.45Å; F59-H62 WeakPolarHBondContact O-CB 3.33Å; F59-H62 PolarHBondContact O-N 3.09Å; F59-H62 VanDerWaalsContact O-N 3.12Å; F59-L63 HydrophobicContact CD1-CD1 3.71Å; F59-L63 HydrophobicContact CD1-CG 4.13Å; F59-L63 HydrophobicContact CE1-CD1 3.65Å; F59-L63 HydrophobicContact CE1-CD2 4.11Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3Å; F59-R85 HydrophobicContact CD1-CB 4.24Å; F59-R85 HydrophobicContact CD1-CG 4.1Å |
| 60 | P | 93.4 | Very high | 94 | Very high | 43 Ų | 43 | 84.6 Ų | 84.6 | 28% | 0.279 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 179.6 | -24.5 | 35.8 | 0 | 0 | 0 | 113 | H62 L63 I64 A84 R85 | P60-H62 VanDerWaalsContact C-N 3.35Å; P60-H62 PolarHBondContact O-N 3.44Å; P60-L63 PolarHBondContact O-N 3.12Å; P60-I64 WeakPolarHBondContact O-CG1 3.3Å; P60-I64 PolarHBondContact O-N 3.49Å; P60-A84 HydrophobicContact CB-CB 4.01Å; P60-A84 HydrophobicContact CG-CB 4.5Å; P60-R85 HydrophobicContact CG-CG 4.24Å |
| 61 | Y | 95.3 | Very high | 94 | Very high | 165 Ų | 165 | 81 Ų | 81 | 65% | 0.647 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 177 | 177.7 | -98.3 | 0 | 0 | 0 | 111.9 | R58 F59 L63 I64 K65 | R58-Y61 PolarHBondContact O-N 3.2Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.45Å; Y61-L63 PolarHBondContact O-N 3.04Å; Y61-I64 PolarHBondContact O-N 2.93Å; Y61-K65 PolarHBondContact O-N 2.8Å |
| 62 | H | 95.3 | Very high | 94 | Very high | 27 Ų | 27 | 82.4 Ų | 82.4 | 13% | 0.125 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.1 | 172.4 | 83.6 | 0 | 0 | 0 | 111.8 | C46 H52 I54 R58 F59 P60 I64 K65 C66 | C46-H62 WeakPolarHBondContact CB-NE2 3.35Å; C46-H62 PolarHBondContact SG-NE2 3.02Å; H52-H62 AromaticContact CG-CE1 3.8Å; H52-H62 AromaticContact ND1-CE1 3.57Å; H52-H62 AromaticContact ND1-NE2 3.85Å; I54-H62 HydrophobicContact CG1-CB 4.25Å; I54-H62 HydrophobicContact CG2-CB 3.92Å; R58-H62 PolarHBondContact O-N 3.21Å; F59-H62 WeakPolarHBondContact O-CB 3.33Å; F59-H62 PolarHBondContact O-N 3.09Å; F59-H62 VanDerWaalsContact O-N 3.12Å; P60-H62 VanDerWaalsContact C-N 3.35Å; P60-H62 PolarHBondContact O-N 3.44Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 3.35Å; H62-K65 PolarHBondContact O-N 2.9Å; H62-K65 VanDerWaalsContact O-N 3.14Å; H62-C66 WeakPolarHBondContact O-CB 2.9Å; H62-C66 PolarHBondContact O-N 2.83Å |
| 63 | L | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 180 | -66.7 | 173.8 | 0 | 0 | 0 | 112.3 | Y48 F59 P60 Y61 K65 S67 A84 L87 | Y48-L63 HydrophobicContact CD2-CD2 4.3Å; Y48-L63 HydrophobicContact CE2-CD2 4.05Å; F59-L63 HydrophobicContact CD1-CD1 3.71Å; F59-L63 HydrophobicContact CD1-CG 4.13Å; F59-L63 HydrophobicContact CE1-CD1 3.65Å; F59-L63 HydrophobicContact CE1-CD2 4.11Å; F59-L63 HydrophobicContact CE1-CG 4.08Å; F59-L63 HydrophobicContact CZ-CD2 4.15Å; F59-L63 WeakPolarHBondContact O-CG 3.48Å; F59-L63 PolarHBondContact O-N 3Å; P60-L63 PolarHBondContact O-N 3.12Å; Y61-L63 PolarHBondContact O-N 3.04Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.92Å; L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.48Å; L63-S67 PolarHBondContact O-N 3.17Å; L63-S67 PolarHBondContact O-OG 2.99Å; L63-S67 VanDerWaalsContact O-OG 3.08Å; L63-A84 VanDerWaalsContact CD1-O 3.27Å; L63-A84 WeakPolarHBondContact CD1-O 3.48Å; L63-L87 HydrophobicContact CD1-CD1 3.44Å; L63-L87 VanDerWaalsContact CD1-CD1 3.44Å; L63-L87 HydrophobicContact CD1-CG 4.43Å; L63-L87 HydrophobicContact CD2-CD1 3.36Å; L63-L87 HydrophobicContact CG-CD1 3.9Å |
| 64 | I | 93.8 | Very high | 93.6 | Very high | 110 Ų | 110 | 77.1 Ų | 77.1 | 56% | 0.564 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 177.5 | -61.8 | 166.6 | 0 | 0 | 0 | 111.3 | P60 Y61 H62 S67 | P60-I64 WeakPolarHBondContact O-CG1 3.3Å; P60-I64 PolarHBondContact O-N 3.49Å; Y61-I64 PolarHBondContact O-N 2.93Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 3.35Å; I64-S67 PolarHBondContact O-OG 3.19Å |
| 65 | K | 94.6 | Very high | 93.4 | Very high | 126 Ų | 126 | 78.3 Ų | 78.3 | 55% | 0.548 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76.4 | -42 | 179.9 | -170.2 | 176.3 | -179.4 | -179.9 | 0 | 112 | Y61 H62 L63 K68 | Y61-K65 PolarHBondContact O-N 2.8Å; H62-K65 PolarHBondContact O-N 2.9Å; H62-K65 VanDerWaalsContact O-N 3.14Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.92Å; K65-K68 PolarHBondContact O-N 2.94Å |
| 66 | C | 94.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.027 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71 | -36.2 | -176.2 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | Y48 H62 K68 N69 H70 | Y48-C66 HydrophobicContact CD2-CB 3.99Å; H62-C66 WeakPolarHBondContact O-CB 2.9Å; H62-C66 PolarHBondContact O-N 2.83Å; C66-K68 PolarHBondContact O-N 2.73Å; C66-N69 PolarHBondContact O-N 2.9Å; C66-H70 PolarHBondContact O-CD2 3.13Å; C66-H70 PolarHBondContact O-N 3.21Å; C66-H70 VanDerWaalsContact O-N 3.17Å; C66-H70 VanDerWaalsContact SG-CD2 3.57Å |
| 67 | S | 94.1 | Very high | 93.3 | Very high | 28 Ų | 28 | 78.8 Ų | 78.8 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.3 | -33.6 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | L63 I64 N69 H70 A74 | L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.48Å; L63-S67 PolarHBondContact O-N 3.17Å; L63-S67 PolarHBondContact O-OG 2.99Å; L63-S67 VanDerWaalsContact O-OG 3.08Å; I64-S67 PolarHBondContact O-OG 3.19Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.2Å; S67-H70 CarbonylContact O-C 3.39Å; S67-H70 PolarHBondContact O-N 3.26Å; S67-A74 WeakPolarHBondContact O-CB 3.37Å |
| 68 | K | 93.6 | Very high | 93.4 | Very high | 160 Ų | 160 | 79.4 Ų | 79.4 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.1 | -32.3 | 175.7 | -62.5 | 179.1 | -177.8 | -175.5 | 0 | 112.9 | K65 C66 | K65-K68 PolarHBondContact O-N 2.94Å; C66-K68 PolarHBondContact O-N 2.73Å |
| 69 | N | 93.3 | Very high | 93.3 | Very high | 116 Ų | 116 | 74.7 Ų | 74.7 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -83 | -22.1 | 179.7 | -63.9 | -15.5 | 0 | 0 | 0 | 112.3 | C66 S67 P71 | C66-N69 PolarHBondContact O-N 2.9Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.2Å; N69-P71 VanDerWaalsContact C-CD 3.42Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.35Å |
| 70 | H | 93.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 74.4 Ų | 74.4 | 27% | 0.269 | 37% | 0.373 | S | S | . | . | trans | -120.5 | 67.1 | -178.7 | -59.2 | -84.9 | 0 | 0 | 0 | 111.5 | C66 S67 K72 L73 A74 | C66-H70 PolarHBondContact O-CD2 3.13Å; C66-H70 PolarHBondContact O-N 3.21Å; C66-H70 VanDerWaalsContact O-N 3.17Å; C66-H70 VanDerWaalsContact SG-CD2 3.57Å; S67-H70 CarbonylContact O-C 3.39Å; S67-H70 PolarHBondContact O-N 3.26Å; H70-K72 VanDerWaalsContact C-N 3.26Å; H70-K72 PolarHBondContact O-N 3.29Å; H70-L73 PolarHBondContact O-N 3.41Å; H70-A74 WeakPolarHBondContact O-CB 3.18Å; H70-A74 PolarHBondContact O-N 3.09Å | ||
| 71 | P | 91.8 | Very high | 93.3 | Very high | 90 Ų | 90 | 76.8 Ų | 76.8 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.1 | -29.3 | -172.3 | 25 | -35.1 | 0 | 0 | 0 | 113.7 | N69 S75 | N69-P71 VanDerWaalsContact C-CD 3.42Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-S75 WeakPolarHBondContact O-CB 3.29Å; P71-S75 PolarHBondContact O-N 3.35Å |
| 72 | K | 91.7 | Very high | 93.1 | Very high | 173 Ų | 173 | 73.4 Ų | 73.4 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -57.9 | 177.4 | -63.2 | -176.8 | -179 | -179.1 | 0 | 110.8 | H70 A74 S75 | H70-K72 VanDerWaalsContact C-N 3.26Å; H70-K72 PolarHBondContact O-N 3.29Å; K72-A74 PolarHBondContact O-N 3.06Å; K72-S75 WeakPolarHBondContact O-CB 3.27Å; K72-S75 PolarHBondContact O-N 2.96Å; K72-S75 VanDerWaalsContact O-N 3.13Å; K72-S75 PolarHBondContact O-OG 3.38Å |
| 73 | L | 90.4 | Very high | 92.9 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 178.3 | -62.8 | 176.4 | 0 | 0 | 0 | 112.8 | Y48 H70 S75 E76 L77 | Y48-L73 HydrophobicContact CD1-CB 3.77Å; Y48-L73 HydrophobicContact CE1-CB 4.28Å; Y48-L73 WeakPolarHBondContact O-CD1 3.44Å; H70-L73 PolarHBondContact O-N 3.41Å; L73-S75 PolarHBondContact O-N 3.29Å; L73-E76 PolarHBondContact O-N 3.15Å; L73-E76 VanDerWaalsContact O-N 3.13Å; L73-L77 PolarHBondContact O-N 2.91Å |
| 74 | A | 90.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 75.8 Ų | 75.8 | 21% | 0.207 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -23.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y48 S67 H70 K72 | Y48-A74 HydrophobicContact CE1-CB 4.4Å; S67-A74 WeakPolarHBondContact O-CB 3.37Å; H70-A74 WeakPolarHBondContact O-CB 3.18Å; H70-A74 PolarHBondContact O-N 3.09Å; K72-A74 PolarHBondContact O-N 3.06Å |
| 75 | S | 91 | Very high | 92.6 | Very high | 58 Ų | 58 | 75.4 Ų | 75.4 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.5 | -27.6 | 174.4 | 82.9 | 0 | 0 | 0 | 0 | 112.6 | P71 K72 L73 K90 | P71-S75 WeakPolarHBondContact O-CB 3.29Å; P71-S75 PolarHBondContact O-N 3.35Å; K72-S75 WeakPolarHBondContact O-CB 3.27Å; K72-S75 PolarHBondContact O-N 2.96Å; K72-S75 VanDerWaalsContact O-N 3.13Å; K72-S75 PolarHBondContact O-OG 3.38Å; L73-S75 PolarHBondContact O-N 3.29Å; S75-K90 WeakPolarHBondContact O-CE 3.47Å; S75-K90 PolarHBondContact O-NZ 2.97Å |
| 76 | E | 92.9 | Very high | 92.5 | Very high | 112 Ų | 112 | 72.1 Ų | 72.1 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -91.4 | -39.4 | -176.1 | -68.4 | 169.4 | -166.6 | 0 | 0 | 112.1 | L73 P89 K90 | L73-E76 PolarHBondContact O-N 3.15Å; L73-E76 VanDerWaalsContact O-N 3.13Å; E76-P89 WeakPolarHBondContact O-CA 3.44Å; E76-K90 PolarHBondContact O-N 2.97Å |
| 77 | L | 93.5 | Very high | 92.4 | Very high | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.3 | 180 | -60.8 | 174.8 | 0 | 0 | 0 | 111.5 | P47 Y48 L73 L87 P89 | P47-L77 HydrophobicContact CB-CD1 4.33Å; Y48-L77 HydrophobicContact CD1-CD1 4.24Å; Y48-L77 HydrophobicContact CE1-CB 4.39Å; Y48-L77 HydrophobicContact CE1-CD1 3.94Å; L73-L77 PolarHBondContact O-N 2.91Å; L77-L87 HydrophobicContact CB-CD2 4Å; L77-P89 HydrophobicContact CD2-CG 4.19Å |
| 78 | K | 93.1 | Very high | 92.4 | Very high | 92 Ų | 92 | 74 Ų | 74 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.9 | 176.1 | -68.7 | -62.8 | -175.9 | -175.7 | 0 | 110.6 | L87 M88 K90 L93 | K78-L87 WeakPolarHBondContact O-CA 3.45Å; K78-M88 PolarHBondContact N-O 2.96Å; K78-M88 PolarHBondContact O-N 3.08Å; K78-K90 HydrophobicContact CG-CG 3.75Å; K78-L93 HydrophobicContact CB-CD2 3.8Å |
| 79 | T | 94.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 140.8 | 179.8 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | A84 H86 | T79-A84 HydrophobicContact CG2-CB 4.39Å; T79-H86 WeakPolarHBondContact CA-O 3.42Å |
| 80 | C | 94.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | trans | -65.4 | 140.2 | 173 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | F82 N83 H86 H96 | C80-F82 VanDerWaalsContact C-N 3.27Å; C80-F82 PolarHBondContact O-N 3.34Å; C80-F82 PolarHBondContact SG-N 2.99Å; C80-F82 VanDerWaalsContact SG-N 3.4Å; C80-N83 WeakPolarHBondContact CB-O 3.43Å; C80-H86 HydrophobicContact CB-CB 3.56Å; C80-H86 PolarHBondContact N-O 3.33Å; C80-H96 WeakPolarHBondContact CB-NE2 3.49Å; C80-H96 VanDerWaalsContact SG-CD2 3.56Å; C80-H96 PolarHBondContact SG-NE2 3.46Å | ||
| 81 | P | 92.1 | Very high | 92.5 | Very high | 93 Ų | 93 | 72.4 Ų | 72.4 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -63 | -28.4 | 174.7 | -22.8 | 33.7 | 0 | 0 | 0 | 114.5 | I97 | P81-I97 HydrophobicContact CG-CD1 4.05Å; P81-I97 HydrophobicContact CG-CG1 4.32Å |
| 82 | F | 92.1 | Very high | 92.6 | Very high | 93 Ų | 93 | 72 Ų | 72 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -91.7 | -30.7 | -174.3 | -52 | -62.9 | 0 | 0 | 0 | 113.1 | C80 I97 C100 D102 R103 | C80-F82 VanDerWaalsContact C-N 3.27Å; C80-F82 PolarHBondContact O-N 3.34Å; C80-F82 PolarHBondContact SG-N 2.99Å; C80-F82 VanDerWaalsContact SG-N 3.4Å; F82-I97 HydrophobicContact CE2-CG2 3.84Å; F82-I97 HydrophobicContact CZ-CG2 4.34Å; F82-C100 HydrophobicContact CD2-CB 4.13Å; F82-D102 HydrophobicContact CB-CB 4.28Å; F82-R103 HydrophobicContact CD2-CB 3.92Å; F82-R103 HydrophobicContact CD2-CG 4.29Å; F82-R103 HydrophobicContact CE1-CG 4.27Å; F82-R103 HydrophobicContact CE2-CB 3.91Å; F82-R103 HydrophobicContact CE2-CG 3.8Å; F82-R103 HydrophobicContact CG-CB 4.33Å; F82-R103 HydrophobicContact CZ-CB 4.35Å; F82-R103 HydrophobicContact CZ-CG 3.81Å |
| 83 | N | 91.2 | Very high | 92.7 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -141.5 | 118.8 | 179.3 | -172.9 | -16.6 | 0 | 0 | 0 | 111.4 | C80 R85 H86 D102 | C80-N83 WeakPolarHBondContact CB-O 3.43Å; N83-R85 PolarHBondContact O-N 3.48Å; N83-R85 VanDerWaalsContact O-N 3.12Å; N83-R85 VanDerWaalsContact OD1-CB 3.3Å; N83-R85 WeakPolarHBondContact OD1-CB 3.26Å; N83-R85 WeakPolarHBondContact OD1-CG 3.18Å; N83-R85 PolarHBondContact OD1-N 3.12Å; N83-H86 PolarHBondContact O-N 3.49Å; N83-H86 VanDerWaalsContact O-N 3.1Å; N83-D102 HydrophobicContact CB-CB 4.13Å; N83-D102 WeakPolarHBondContact CB-OD2 3.35Å; N83-D102 PolarHBondContact ND2-OD2 2.72Å | ||
| 84 | A | 90.3 | Very high | 92.9 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P60 L63 T79 | P60-A84 HydrophobicContact CB-CB 4.01Å; P60-A84 HydrophobicContact CG-CB 4.5Å; L63-A84 VanDerWaalsContact CD1-O 3.27Å; L63-A84 WeakPolarHBondContact CD1-O 3.48Å; T79-A84 HydrophobicContact CG2-CB 4.39Å |
| 85 | R | 90.6 | Very high | 93.1 | Very high | 103 Ų | 103 | 71.5 Ų | 71.5 | 39% | 0.389 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -23.8 | 174.7 | -62.6 | 172.1 | 59.7 | -175.1 | -5.3 | 112.5 | L44 F59 P60 N83 | L44-R85 VanDerWaalsContact CD1-NH2 3.32Å; F59-R85 HydrophobicContact CD1-CB 4.24Å; F59-R85 HydrophobicContact CD1-CG 4.1Å; P60-R85 HydrophobicContact CG-CG 4.24Å; N83-R85 PolarHBondContact O-N 3.48Å; N83-R85 VanDerWaalsContact O-N 3.12Å; N83-R85 VanDerWaalsContact OD1-CB 3.3Å; N83-R85 WeakPolarHBondContact OD1-CB 3.26Å; N83-R85 WeakPolarHBondContact OD1-CG 3.18Å; N83-R85 PolarHBondContact OD1-N 3.12Å |
| 86 | H | 93 | Very high | 93.3 | Very high | 57 Ų | 57 | 70.1 Ų | 70.1 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | trans | -81.9 | 121.5 | -178.5 | -63.8 | 168 | 0 | 0 | 0 | 110.5 | T79 C80 N83 H96 D102 | T79-H86 WeakPolarHBondContact CA-O 3.42Å; C80-H86 HydrophobicContact CB-CB 3.56Å; C80-H86 PolarHBondContact N-O 3.33Å; N83-H86 PolarHBondContact O-N 3.49Å; N83-H86 VanDerWaalsContact O-N 3.1Å; H86-H96 AromaticContact CG-CE1 3.83Å; H86-H96 AromaticContact CG-NE2 3.82Å; H86-H96 AromaticContact ND1-CE1 3.29Å; H86-H96 PolarHBondContact ND1-CE1 3.36Å; H86-H96 VanDerWaalsContact ND1-CE1 3.29Å; H86-H96 AromaticContact ND1-NE2 3.3Å; H86-H96 PolarHBondContact ND1-NE2 3.45Å; H86-D102 IonicContact CE1-OD2 2.89Å; H86-D102 PolarHBondContact CE1-OD2 2.89Å; H86-D102 IonicContact ND1-OD2 3.65Å; H86-D102 IonicContact NE2-OD2 3.56Å | ||
| 87 | L | 92.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.3 | 175.1 | -83.3 | 141.7 | 0 | 0 | 0 | 108.7 | P47 Y48 L63 L77 K78 | P47-L87 HydrophobicContact CB-CD1 4.36Å; P47-L87 HydrophobicContact CG-CD1 3.75Å; Y48-L87 VanDerWaalsContact OH-CD2 3.29Å; Y48-L87 WeakPolarHBondContact OH-CD2 3.16Å; L63-L87 HydrophobicContact CD1-CD1 3.44Å; L63-L87 VanDerWaalsContact CD1-CD1 3.44Å; L63-L87 HydrophobicContact CD1-CG 4.43Å; L63-L87 HydrophobicContact CD2-CD1 3.36Å; L63-L87 HydrophobicContact CG-CD1 3.9Å; L77-L87 HydrophobicContact CB-CD2 4Å; K78-L87 WeakPolarHBondContact O-CA 3.45Å |
| 88 | M | 94.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 23% | 0.232 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.7 | -179.3 | -58.4 | -58.9 | -68.3 | 0 | 0 | 109.9 | K78 E92 L93 H96 | K78-M88 PolarHBondContact N-O 2.96Å; K78-M88 PolarHBondContact O-N 3.08Å; M88-E92 HydrophobicContact CE-CB 4.13Å; M88-L93 HydrophobicContact CB-CB 4.48Å; M88-L93 HydrophobicContact CB-CD1 4.35Å; M88-H96 HydrophobicContact CE-CB 4.23Å; M88-H96 HydrophobicContact CG-CB 3.82Å |
| 89 | P | 94.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 69.1 Ų | 69.1 | 23% | 0.234 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 147.9 | 165.9 | -24.4 | 34.7 | 0 | 0 | 0 | 111.5 | E76 L77 H91 E92 L93 | E76-P89 WeakPolarHBondContact O-CA 3.44Å; L77-P89 HydrophobicContact CD2-CG 4.19Å; P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 WeakPolarHBondContact CB-ND1 3.49Å; P89-H91 PolarHBondContact O-N 3.36Å; P89-H91 VanDerWaalsContact O-N 3.12Å; P89-E92 PolarHBondContact O-N 2.78Å; P89-L93 PolarHBondContact O-N 3.14Å |
| 90 | K | 92.7 | Very high | 93.2 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -49.2 | -40.5 | -179.9 | -79.4 | 171.4 | 168.4 | 163.7 | 0 | 114.1 | S75 E76 K78 | S75-K90 WeakPolarHBondContact O-CE 3.47Å; S75-K90 PolarHBondContact O-NZ 2.97Å; E76-K90 PolarHBondContact O-N 2.97Å; K78-K90 HydrophobicContact CG-CG 3.75Å |
| 91 | H | 94.3 | Very high | 92.9 | Very high | 145 Ų | 145 | 72.6 Ų | 72.6 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.8 | -26.1 | -178 | 65 | -74.2 | 0 | 0 | 0 | 113.2 | P89 | P89-H91 WeakPolarHBondContact CB-CE1 3.24Å; P89-H91 WeakPolarHBondContact CB-ND1 3.49Å; P89-H91 PolarHBondContact O-N 3.36Å; P89-H91 VanDerWaalsContact O-N 3.12Å |
| 92 | E | 94.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -94 | -16.3 | -178.7 | -64.2 | 173.5 | -168.6 | 0 | 0 | 112.7 | M88 P89 S94 H95 H96 | M88-E92 HydrophobicContact CE-CB 4.13Å; P89-E92 PolarHBondContact O-N 2.78Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.41Å; E92-H95 PolarHBondContact O-N 2.97Å; E92-H95 VanDerWaalsContact O-N 3.16Å; E92-H96 PolarHBondContact O-N 3.48Å |
| 93 | L | 94.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 72.8 Ų | 72.8 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | -177.2 | -178.5 | 65 | 0 | 0 | 0 | 112.1 | K78 M88 P89 H95 H96 I97 | K78-L93 HydrophobicContact CB-CD2 3.8Å; M88-L93 HydrophobicContact CB-CB 4.48Å; M88-L93 HydrophobicContact CB-CD1 4.35Å; P89-L93 PolarHBondContact O-N 3.14Å; L93-H95 PolarHBondContact O-N 3.19Å; L93-H96 WeakPolarHBondContact O-CB 3.3Å; L93-H96 PolarHBondContact O-N 3.31Å; L93-I97 HydrophobicContact CD1-CD1 4.15Å; L93-I97 HydrophobicContact CD1-CG1 4.2Å; L93-I97 HydrophobicContact CD2-CD1 4.37Å; L93-I97 HydrophobicContact CG-CD1 3.81Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.4Å |
| 94 | S | 93.7 | Very high | 91.9 | Very high | 89 Ų | 89 | 78.3 Ų | 78.3 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | E92 I97 A98 | E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 3.41Å; S94-I97 PolarHBondContact O-N 3.1Å; S94-A98 PolarHBondContact O-N 3.06Å |
| 95 | H | 95.1 | Very high | 90.6 | Very high | 131 Ų | 131 | 79.7 Ų | 79.7 | 61% | 0.606 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | 175.9 | 177.5 | -100.1 | 0 | 0 | 0 | 111.2 | E92 L93 I97 A98 N99 | E92-H95 PolarHBondContact O-N 2.97Å; E92-H95 VanDerWaalsContact O-N 3.16Å; L93-H95 PolarHBondContact O-N 3.19Å; H95-I97 PolarHBondContact O-N 3.41Å; H95-A98 PolarHBondContact O-N 3.24Å; H95-N99 PolarHBondContact CE1-ND2 2.91Å; H95-N99 PolarHBondContact NE2-ND2 3.24Å; H95-N99 PolarHBondContact O-N 3.1Å |
| 96 | H | 95.3 | Very high | 89.1 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 13% | 0.13 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.7 | 174.2 | 75 | 0 | 0 | 0 | 112.1 | C80 H86 M88 E92 L93 A98 N99 C100 | C80-H96 WeakPolarHBondContact CB-NE2 3.49Å; C80-H96 VanDerWaalsContact SG-CD2 3.56Å; C80-H96 PolarHBondContact SG-NE2 3.46Å; H86-H96 AromaticContact CG-CE1 3.83Å; H86-H96 AromaticContact CG-NE2 3.82Å; H86-H96 AromaticContact ND1-CE1 3.29Å; H86-H96 PolarHBondContact ND1-CE1 3.36Å; H86-H96 VanDerWaalsContact ND1-CE1 3.29Å; H86-H96 AromaticContact ND1-NE2 3.3Å; H86-H96 PolarHBondContact ND1-NE2 3.45Å; M88-H96 HydrophobicContact CE-CB 4.23Å; M88-H96 HydrophobicContact CG-CB 3.82Å; E92-H96 PolarHBondContact O-N 3.48Å; L93-H96 WeakPolarHBondContact O-CB 3.3Å; L93-H96 PolarHBondContact O-N 3.31Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.21Å; H96-N99 CarbonylContact O-C 3.43Å; H96-N99 PolarHBondContact O-N 3.49Å; H96-N99 VanDerWaalsContact O-N 3.1Å; H96-C100 WeakPolarHBondContact O-CA 3.5Å; H96-C100 VanDerWaalsContact O-CB 3.24Å; H96-C100 WeakPolarHBondContact O-CB 3.48Å; H96-C100 PolarHBondContact O-N 3.33Å |
| 97 | I | 93.1 | Very high | 87 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 180 | -71.7 | 168.2 | 0 | 0 | 0 | 111 | P81 F82 L93 S94 H95 N99 R103 | P81-I97 HydrophobicContact CG-CD1 4.05Å; P81-I97 HydrophobicContact CG-CG1 4.32Å; F82-I97 HydrophobicContact CE2-CG2 3.84Å; F82-I97 HydrophobicContact CZ-CG2 4.34Å; L93-I97 HydrophobicContact CD1-CD1 4.15Å; L93-I97 HydrophobicContact CD1-CG1 4.2Å; L93-I97 HydrophobicContact CD2-CD1 4.37Å; L93-I97 HydrophobicContact CG-CD1 3.81Å; L93-I97 HydrophobicContact CG-CG1 4.3Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.4Å; S94-I97 PolarHBondContact O-N 3.1Å; H95-I97 PolarHBondContact O-N 3.41Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.42Å; I97-R103 WeakPolarHBondContact O-CD 3.36Å |
| 98 | A | 91.8 | Very high | 85.2 | Confident | 57 Ų | 57 | 84 Ų | 84 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S94 H95 H96 | S94-A98 PolarHBondContact O-N 3.06Å; H95-A98 PolarHBondContact O-N 3.24Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.21Å |
| 99 | N | 92.3 | Very high | 83.3 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -112.7 | 13.2 | -170.3 | -59.7 | -0.8 | 0 | 0 | 0 | 113.4 | H95 H96 I97 V101 | H95-N99 PolarHBondContact CE1-ND2 2.91Å; H95-N99 PolarHBondContact NE2-ND2 3.24Å; H95-N99 PolarHBondContact O-N 3.1Å; H96-N99 CarbonylContact O-C 3.43Å; H96-N99 PolarHBondContact O-N 3.49Å; H96-N99 VanDerWaalsContact O-N 3.1Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.42Å; N99-V101 PolarHBondContact O-N 3.25Å |
| 100 | C | 93.1 | Very high | 81.3 | Confident | 9 Ų | 9 | 92.8 Ų | 92.8 | 6% | 0.061 | 50% | 0.502 | C | S | . | . | trans | -68.7 | 130.4 | -174.7 | -175.7 | 0 | 0 | 0 | 0 | 110 | F82 H96 D102 R103 | F82-C100 HydrophobicContact CD2-CB 4.13Å; H96-C100 WeakPolarHBondContact O-CA 3.5Å; H96-C100 VanDerWaalsContact O-CB 3.24Å; H96-C100 WeakPolarHBondContact O-CB 3.48Å; H96-C100 PolarHBondContact O-N 3.33Å; C100-D102 PolarHBondContact O-N 3.5Å; C100-R103 HydrophobicContact CB-CB 4.11Å; C100-R103 VanDerWaalsContact O-CB 3.22Å; C100-R103 WeakPolarHBondContact O-CB 3.22Å; C100-R103 PolarHBondContact O-N 3.16Å; C100-R103 VanDerWaalsContact O-N 3.08Å | ||
| 101 | V | 88.8 | Confident | 79.4 | Confident | 139 Ų | 139 | 91.8 Ų | 91.8 | 84% | 0.842 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -34.2 | 178.3 | -177 | 0 | 0 | 0 | 0 | 111.7 | N99 R103 | N99-V101 PolarHBondContact O-N 3.25Å; V101-R103 PolarHBondContact O-N 3.45Å |
| 102 | D | 88 | Confident | 77.1 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 35% | 0.348 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1 | 178.8 | -55.2 | -53.7 | 0 | 0 | 0 | 113.3 | F82 N83 H86 C100 I104 | F82-D102 HydrophobicContact CB-CB 4.28Å; N83-D102 HydrophobicContact CB-CB 4.13Å; N83-D102 WeakPolarHBondContact CB-OD2 3.35Å; N83-D102 PolarHBondContact ND2-OD2 2.72Å; H86-D102 IonicContact CE1-OD2 2.89Å; H86-D102 PolarHBondContact CE1-OD2 2.89Å; H86-D102 IonicContact ND1-OD2 3.65Å; H86-D102 IonicContact NE2-OD2 3.56Å; C100-D102 PolarHBondContact O-N 3.5Å; D102-I104 PolarHBondContact O-N 3.27Å |
| 103 | R | 88.3 | Confident | 75 | Confident | 125 Ų | 125 | 86.9 Ų | 86.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | trans | -73.3 | 96.5 | 174.1 | -179.3 | 171.6 | 174.8 | -105.8 | -3.3 | 108 | F82 I97 C100 V101 S105 | F82-R103 HydrophobicContact CD2-CB 3.92Å; F82-R103 HydrophobicContact CD2-CG 4.29Å; F82-R103 HydrophobicContact CE1-CG 4.27Å; F82-R103 HydrophobicContact CE2-CB 3.91Å; F82-R103 HydrophobicContact CE2-CG 3.8Å; F82-R103 HydrophobicContact CG-CB 4.33Å; F82-R103 HydrophobicContact CZ-CB 4.35Å; F82-R103 HydrophobicContact CZ-CG 3.81Å; I97-R103 WeakPolarHBondContact O-CD 3.36Å; C100-R103 HydrophobicContact CB-CB 4.11Å; C100-R103 VanDerWaalsContact O-CB 3.22Å; C100-R103 WeakPolarHBondContact O-CB 3.22Å; C100-R103 PolarHBondContact O-N 3.16Å; C100-R103 VanDerWaalsContact O-N 3.08Å; V101-R103 PolarHBondContact O-N 3.45Å; R103-S105 PolarHBondContact O-N 3.29Å | ||
| 104 | I | 77.8 | Confident | 73.1 | Confident | 150 Ų | 150 | 89.6 Ų | 89.6 | 77% | 0.769 | 53% | 0.531 | S | S | * | . | trans | -64.9 | 106.1 | 171.1 | -55.6 | 174.6 | 0 | 0 | 0 | 107.3 | D102 V106 | D102-I104 PolarHBondContact O-N 3.27Å; I104-V106 PolarHBondContact O-N 3.3Å; I104-V106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | S | 63.3 | Low | 71.3 | Confident | 78 Ų | 78 | 92.4 Ų | 92.4 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | trans | -69.5 | 107 | 169.6 | 52.1 | 0 | 0 | 0 | 0 | 107.7 | R103 N107 | R103-S105 PolarHBondContact O-N 3.29Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.21Å | ||
| 106 | V | 59.7 | Low | 69.3 | Low | 106 Ų | 106 | 88.6 Ų | 88.6 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | trans | -64.9 | 101.8 | 165 | -177.9 | 0 | 0 | 0 | 0 | 105.9 | I104 A108 L111 | I104-V106 PolarHBondContact O-N 3.3Å; I104-V106 VanDerWaalsContact O-N 3.15Å; V106-A108 PolarHBondContact O-N 2.88Å; V106-L111 HydrophobicContact CG1-CD1 4.41Å | ||
| 107 | N | 49.8 | Very low | 67.3 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | trans | -66.6 | 126.8 | 179.2 | -117.9 | 17.9 | 0 | 0 | 0 | 108.1 | S105 E109 D110 | S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.21Å; N107-E109 HydrophobicContact CB-CG 3.91Å; N107-E109 PolarHBondContact ND2-OE1 3.1Å; N107-E109 PolarHBondContact O-N 3.35Å; N107-D110 PolarHBondContact O-N 3.39Å | ||
| 108 | A | 54.1 | Low | 65.7 | Low | 80 Ų | 80 | 94.9 Ų | 94.9 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -62.6 | -15.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V106 D110 L111 | V106-A108 PolarHBondContact O-N 2.88Å; A108-D110 VanDerWaalsContact C-N 3.28Å; A108-D110 PolarHBondContact O-N 3.12Å; A108-L111 PolarHBondContact O-N 2.98Å |
| 109 | E | 54.3 | Low | 64.1 | Low | 156 Ų | 156 | 100.6 Ų | 100.6 | 73% | 0.729 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -70.7 | -16.9 | 173.1 | 57 | -164.8 | -174.1 | 0 | 0 | 113.9 | N107 | N107-E109 HydrophobicContact CB-CG 3.91Å; N107-E109 PolarHBondContact ND2-OE1 3.1Å; N107-E109 PolarHBondContact O-N 3.35Å |
| 110 | D | 52.8 | Low | 62.6 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -85.7 | -8.7 | 170 | -166.1 | 37.4 | 0 | 0 | 0 | 112.7 | N107 A108 | N107-D110 PolarHBondContact O-N 3.39Å; A108-D110 VanDerWaalsContact C-N 3.28Å; A108-D110 PolarHBondContact O-N 3.12Å |
| 111 | L | 52.1 | Low | 61.4 | Low | 99 Ų | 99 | 111.6 Ų | 111.6 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -98 | 1.7 | 174.6 | -63.4 | 174.7 | 0 | 0 | 0 | 112.8 | V106 A108 S113 | V106-L111 HydrophobicContact CG1-CD1 4.41Å; A108-L111 PolarHBondContact O-N 2.98Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.24Å |
| 112 | G | 47.2 | Very low | 60.6 | Low | 71 Ų | 71 | 111 Ų | 111 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | trans | -81.8 | 1.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 113 | S | 49.3 | Very low | 59.9 | Low | 51 Ų | 51 | 113.1 Ų | 113.1 | 36% | 0.357 | 62% | 0.623 | S | S | . | * | trans | -107.4 | 109.2 | 168.3 | -150.8 | 0 | 0 | 0 | 0 | 108.9 | L111 E115 V116 | L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.24Å; S113-E115 PolarHBondContact O-N 3.39Å; S113-V116 PolarHBondContact O-N 3.08Å | ||
| 114 | A | 55.3 | Low | 59.1 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 74% | 0.744 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.6 | -10.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 115 | E | 56 | Low | 59.1 | Low | 147 Ų | 147 | 111.2 Ų | 111.2 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.1 | -24.3 | 174.5 | -61.3 | -176.8 | 151.8 | 0 | 0 | 114.5 | S113 S118 | S113-E115 PolarHBondContact O-N 3.39Å; E115-S118 PolarHBondContact O-OG 3.35Å |
| 116 | V | 52.8 | Low | 59.4 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 32% | 0.315 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -80.4 | -31.2 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | S113 S118 K119 | S113-V116 PolarHBondContact O-N 3.08Å; V116-S118 VanDerWaalsContact C-N 3.34Å; V116-K119 PolarHBondContact O-N 2.78Å |
| 117 | Q | 53.7 | Low | 59.9 | Low | 143 Ų | 143 | 117.7 Ų | 117.7 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.9 | -24.3 | 175.6 | -70.2 | -175 | 3 | 0 | 0 | 113.1 | ||
| 118 | S | 58.5 | Low | 60.8 | Low | 69 Ų | 69 | 119.1 Ų | 119.1 | 48% | 0.483 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -78.2 | -26.8 | 175 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | E115 V116 W120 Q121 | E115-S118 PolarHBondContact O-OG 3.35Å; V116-S118 VanDerWaalsContact C-N 3.34Å; S118-W120 VanDerWaalsContact C-N 3.31Å; S118-W120 PolarHBondContact O-N 3.1Å; S118-Q121 PolarHBondContact O-N 3.49Å |
| 119 | K | 58.5 | Low | 61.6 | Low | 177 Ų | 177 | 121 Ų | 121 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69 | -23.8 | -178.7 | -174.7 | 170.6 | -179.7 | 177.1 | 0 | 114.4 | V116 | V116-K119 PolarHBondContact O-N 2.78Å |
| 120 | W | 61.3 | Low | 62.3 | Low | 206 Ų | 206 | 118.3 Ų | 118.3 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 4.8 | -179.1 | -71.9 | 98.1 | 0 | 0 | 0 | 114.1 | S118 V122 | S118-W120 VanDerWaalsContact C-N 3.31Å; S118-W120 PolarHBondContact O-N 3.1Å; W120-V122 PolarHBondContact O-N 3.3Å |
| 121 | Q | 67.1 | Low | 62.9 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | trans | -70.7 | 98.8 | 169.7 | -64.1 | 177.2 | 26.7 | 0 | 0 | 107.9 | S118 P123 | S118-Q121 PolarHBondContact O-N 3.49Å; Q121-P123 WeakPolarHBondContact O-CD 3.21Å | ||
| 122 | V | 72.7 | Confident | 63.4 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | trans | -63.2 | 114.9 | 168.1 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | W120 V124 | W120-V122 PolarHBondContact O-N 3.3Å; V122-V124 PolarHBondContact O-N 3.31Å | ||
| 123 | P | 73.3 | Confident | 64.5 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 71% | 0.708 | 66% | 0.662 | S | S | * | * | trans | -57.6 | 129.2 | 176.7 | -21.2 | 33.2 | 0 | 0 | 0 | 108.4 | Q121 S125 | Q121-P123 WeakPolarHBondContact O-CD 3.21Å; P123-S125 PolarHBondContact O-N 2.85Å | ||
| 124 | V | 72.6 | Confident | 65.4 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | trans | -59 | 111.6 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 106.8 | V122 T126 | V122-V124 PolarHBondContact O-N 3.31Å; V124-T126 PolarHBondContact O-N 3.46Å | ||
| 125 | S | 76.2 | Confident | 66.1 | Low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | trans | -58.3 | 115.7 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 109 | P123 W127 | P123-S125 PolarHBondContact O-N 2.85Å; S125-W127 PolarHBondContact O-N 3.4Å; S125-W127 WeakPolarHBondContact OG-CB 3.24Å; S125-W127 PolarHBondContact OG-N 3.35Å | ||
| 126 | T | 70.9 | Confident | 67.2 | Low | 135 Ų | 135 | 128.9 Ų | 128.9 | 83% | 0.828 | 67% | 0.67 | S | S | * | * | trans | -82.4 | 12.7 | 171.7 | -19.8 | 0 | 0 | 0 | 0 | 111.3 | V124 T128 | V124-T126 PolarHBondContact O-N 3.46Å; T126-T128 PolarHBondContact O-N 2.98Å | ||
| 127 | W | 70.3 | Confident | 68 | Low | 186 Ų | 186 | 133 Ų | 133 | 71% | 0.705 | 69% | 0.69 | S | S | * | * | trans | -64.4 | 100.6 | -179.3 | -176.3 | -97 | 0 | 0 | 0 | 110.5 | S125 | S125-W127 PolarHBondContact O-N 3.4Å; S125-W127 WeakPolarHBondContact OG-CB 3.24Å; S125-W127 PolarHBondContact OG-N 3.35Å | ||
| 128 | T | 68.3 | Low | 68.6 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | trans | -81.9 | 130.9 | 163.3 | -31.2 | 0 | 0 | 0 | 0 | 107.6 | T126 T130 | T126-T128 PolarHBondContact O-N 2.98Å; T128-T130 PolarHBondContact O-N 3.33Å | ||
| 129 | N | 70.4 | Confident | 68.9 | Low | 119 Ų | 119 | 138.1 Ų | 138.1 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | -59.4 | 103 | 176.9 | -155.3 | 4.4 | 0 | 0 | 0 | 108.8 | N131 | N129-N131 PolarHBondContact O-N 3.08Š| ||
| 130 | T | 69.3 | Low | 69.2 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | trans | -59.4 | 121.7 | 170.9 | 40.2 | 0 | 0 | 0 | 0 | 107.1 | T128 C132 | T128-T130 PolarHBondContact O-N 3.33Å; T130-C132 PolarHBondContact O-N 3.16Å | ||
| 131 | N | 65.6 | Low | 69.2 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | -35.6 | 108.1 | -175.8 | -178 | 30.2 | 0 | 0 | 0 | 111.3 | N129 D133 | N129-N131 PolarHBondContact O-N 3.08Å; N131-D133 VanDerWaalsContact C-N 3.35Å; N131-D133 PolarHBondContact ND2-OD1 3.13Å; N131-D133 PolarHBondContact O-N 3.14Å | ||
| 132 | C | 62.1 | Low | 68.8 | Low | 88 Ų | 88 | 130.2 Ų | 130.2 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | trans | -76.1 | 90.9 | 176.7 | -65.4 | 0 | 0 | 0 | 0 | 107.6 | T130 E134 | T130-C132 PolarHBondContact O-N 3.16Å; C132-E134 PolarHBondContact O-N 3.46Å | ||
| 133 | D | 70.3 | Confident | 68.2 | Low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | trans | -72.4 | -4.1 | 172.9 | -69 | -45.6 | 0 | 0 | 0 | 112.5 | N131 D135 | N131-D133 VanDerWaalsContact C-N 3.35Å; N131-D133 PolarHBondContact ND2-OD1 3.13Å; N131-D133 PolarHBondContact O-N 3.14Å; D133-D135 PolarHBondContact O-N 3.1Å | ||
| 134 | E | 68.9 | Low | 67.7 | Low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -88 | 90.2 | 175.9 | -70 | 176.3 | 173.1 | 0 | 0 | 111 | C132 W136 | C132-E134 PolarHBondContact O-N 3.46Å; E134-W136 PolarHBondContact O-N 2.99Å | ||
| 135 | D | 70.4 | Confident | 67.5 | Low | 75 Ų | 75 | 127 Ų | 127 | 40% | 0.401 | 69% | 0.685 | S | S | . | * | trans | -86.6 | 99.2 | 175 | -176.2 | 5.6 | 0 | 0 | 0 | 110.4 | D133 D137 K138 | D133-D135 PolarHBondContact O-N 3.1Å; D135-D137 PolarHBondContact O-N 3.24Å; D135-D137 VanDerWaalsContact O-N 3.1Å; D135-D137 WeakPolarHBondContact OD1-CB 3.4Å; D135-D137 PolarHBondContact OD1-N 3.08Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å; D135-K138 HydrophobicContact CB-CD 3.98Å; D135-K138 HydrophobicContact CB-CG 4.07Å; D135-K138 PolarHBondContact O-N 2.66Å; D135-K138 VanDerWaalsContact O-N 3.09Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.19Å | ||
| 136 | W | 77.8 | Confident | 67.3 | Low | 216 Ų | 216 | 127.9 Ų | 127.9 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -9.8 | 178 | -70.3 | 91.6 | 0 | 0 | 0 | 113.6 | E134 | E134-W136 PolarHBondContact O-N 2.99Š|
| 137 | D | 69.9 | Low | 67.1 | Low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -10.2 | 174 | -73.5 | -23.5 | 0 | 0 | 0 | 113.2 | D135 | D135-D137 PolarHBondContact O-N 3.24Å; D135-D137 VanDerWaalsContact O-N 3.1Å; D135-D137 WeakPolarHBondContact OD1-CB 3.4Å; D135-D137 PolarHBondContact OD1-N 3.08Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å |
| 138 | K | 66.3 | Low | 67.5 | Low | 154 Ų | 154 | 125.6 Ų | 125.6 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -18.6 | 179.9 | -72.4 | 178.8 | -173.4 | 165.8 | 0 | 114.8 | D135 | D135-K138 HydrophobicContact CB-CD 3.98Å; D135-K138 HydrophobicContact CB-CG 4.07Å; D135-K138 PolarHBondContact O-N 2.66Å; D135-K138 VanDerWaalsContact O-N 3.09Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.19Å |
| 139 | E | 64.4 | Low | 67.1 | Low | 167 Ų | 167 | 131.4 Ų | 131.4 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 4.1 | -179.4 | -63.9 | -66.1 | 152.1 | 0 | 0 | 113 | D141 | E139-D141 VanDerWaalsContact C-N 3.32Å; E139-D141 PolarHBondContact O-N 2.95Å |
| 140 | A | 65 | Low | 66.7 | Low | 66 Ų | 66 | 129.4 Ų | 129.4 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | trans | -73.6 | 90.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I142 | A140-I142 WeakPolarHBondContact O-CG1 3.37Å; A140-I142 PolarHBondContact O-N 3.18Å | ||
| 141 | D | 62.3 | Low | 66.2 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 63% | 0.631 | 70% | 0.695 | S | S | * | * | trans | -58.3 | 99.5 | 170.5 | -154 | 1.3 | 0 | 0 | 0 | 108.2 | E139 S143 S144 | E139-D141 VanDerWaalsContact C-N 3.32Å; E139-D141 PolarHBondContact O-N 2.95Å; D141-S143 PolarHBondContact O-N 3.15Å; D141-S144 PolarHBondContact O-N 3.45Å; D141-S144 PolarHBondContact O-OG 3.06Å | ||
| 142 | I | 57.9 | Low | 65.7 | Low | 173 Ų | 173 | 128 Ų | 128 | 89% | 0.887 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -8.8 | -176.1 | -56.4 | 166.1 | 0 | 0 | 0 | 110.9 | A140 | A140-I142 WeakPolarHBondContact O-CG1 3.37Å; A140-I142 PolarHBondContact O-N 3.18Å |
| 143 | S | 60.3 | Low | 65.6 | Low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -5.4 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 114.4 | D141 V145 | D141-S143 PolarHBondContact O-N 3.15Å; S143-V145 PolarHBondContact O-N 3.37Å |
| 144 | S | 62.5 | Low | 64.9 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -69.8 | 120.7 | 179.2 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | D141 | D141-S144 PolarHBondContact O-N 3.45Å; D141-S144 PolarHBondContact O-OG 3.06Å |
| 145 | V | 68 | Low | 64.2 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 131.4 | 177.2 | -93.2 | 0 | 0 | 0 | 0 | 109.7 | S143 F147 I156 | S143-V145 PolarHBondContact O-N 3.37Å; V145-F147 PolarHBondContact O-N 3.01Å; V145-I156 HydrophobicContact CG2-CD1 4.47Å |
| 146 | P | 71.8 | Confident | 63.3 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 125.3 | -177.4 | -23 | 30.4 | 0 | 0 | 0 | 110.6 | V148 | P146-V148 PolarHBondContact O-N 3.01Š|
| 147 | F | 67.9 | Low | 62.2 | Low | 181 Ų | 181 | 127 Ų | 127 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.8 | 169.8 | 83.8 | -87.3 | 0 | 0 | 0 | 107.6 | V145 | V145-F147 PolarHBondContact O-N 3.01Š|
| 148 | V | 78.1 | Confident | 61.2 | Low | 93 Ų | 93 | 129 Ų | 129 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | trans | -104 | 113.6 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | P146 G150 V151 | P146-V148 PolarHBondContact O-N 3.01Å; V148-G150 PolarHBondContact O-N 3.41Å; V148-G150 VanDerWaalsContact O-N 3.14Å; V148-V151 HydrophobicContact CB-CB 4.46Å; V148-V151 HydrophobicContact CB-CG2 4.29Å; V148-V151 HydrophobicContact CG1-CB 4.44Å; V148-V151 HydrophobicContact CG1-CG2 3.75Å; V148-V151 PolarHBondContact O-N 3.1Å | ||
| 149 | W | 60.2 | Low | 60.5 | Low | 239 Ų | 239 | 129.9 Ų | 129.9 | 91% | 0.905 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 116 | 178.9 | -169.3 | -90.5 | 0 | 0 | 0 | 110.4 | ||
| 150 | G | 60.8 | Low | 59.4 | Low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.1 | 2.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V148 | V148-G150 PolarHBondContact O-N 3.41Å; V148-G150 VanDerWaalsContact O-N 3.14Å |
| 151 | V | 59.7 | Low | 58.4 | Low | 98 Ų | 98 | 136.2 Ų | 136.2 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -117.5 | 121 | 176.4 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | V148 T153 | V148-V151 HydrophobicContact CB-CB 4.46Å; V148-V151 HydrophobicContact CB-CG2 4.29Å; V148-V151 HydrophobicContact CG1-CB 4.44Å; V148-V151 HydrophobicContact CG1-CG2 3.75Å; V148-V151 PolarHBondContact O-N 3.1Å; V151-T153 PolarHBondContact O-N 3.02Å | ||
| 152 | S | 54.9 | Low | 57.3 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -86.1 | 106.4 | -179.5 | -163.9 | 0 | 0 | 0 | 0 | 110.6 | N154 | S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 VanDerWaalsContact O-N 3.13Å; S152-N154 PolarHBondContact OG-ND2 3.18Å; S152-N154 VanDerWaalsContact OG-ND2 3.16Å | ||
| 153 | T | 60.6 | Low | 56.4 | Low | 104 Ų | 104 | 135.3 Ų | 135.3 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | trans | -85.1 | 67.9 | 177.8 | 43.8 | 0 | 0 | 0 | 0 | 112.1 | V151 L155 | V151-T153 PolarHBondContact O-N 3.02Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.08Å | ||
| 154 | N | 55.9 | Low | 55.6 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 21.9 | 175.5 | -76.2 | -43.1 | 0 | 0 | 0 | 114.8 | S152 | S152-N154 PolarHBondContact O-N 3.27Å; S152-N154 VanDerWaalsContact O-N 3.13Å; S152-N154 PolarHBondContact OG-ND2 3.18Å; S152-N154 VanDerWaalsContact OG-ND2 3.16Å |
| 155 | L | 54 | Low | 54.8 | Low | 167 Ų | 167 | 136.7 Ų | 136.7 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 0.7 | -177.6 | -83.8 | 163.1 | 0 | 0 | 0 | 115.1 | T153 S157 | T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.08Å; L155-S157 PolarHBondContact O-N 3.46Å |
| 156 | I | 51.8 | Low | 53.9 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | trans | -103.4 | 47.9 | 179.4 | -46.7 | 172.8 | 0 | 0 | 0 | 110 | V145 | V145-I156 HydrophobicContact CG2-CD1 4.47Š| ||
| 157 | S | 53.3 | Low | 53.1 | Low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -130.8 | 57.9 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | L155 | L155-S157 PolarHBondContact O-N 3.46Š| ||
| 158 | Q | 49.9 | Very low | 52.5 | Low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -139 | -2.6 | 168.3 | -75.6 | -160.3 | -22.7 | 0 | 0 | 117.3 | ||
| 159 | N | 50.3 | Low | 51.5 | Low | 171 Ų | 171 | 138.7 Ų | 138.7 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | trans | -155.4 | 89 | 172.3 | -87.4 | -40.4 | 0 | 0 | 0 | 112.6 | ||||
| 160 | R | 42.1 | Very low | 51.1 | Low | 229 Ų | 229 | 133.6 Ų | 133.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -146 | 119.2 | 151 | -149.3 | 178.8 | -154.7 | -146 | 6 | 109.1 | E162 | R160-E162 PolarHBondContact O-N 3.48Š| ||
| 161 | T | 43.7 | Very low | 50.5 | Low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.8 | 172.9 | -51 | 0 | 0 | 0 | 0 | 109.2 | ||
| 162 | E | 39.8 | Very low | 50.3 | Low | 168 Ų | 168 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 135.5 | 178.2 | -64.8 | -76.2 | 143.7 | 0 | 0 | 113.3 | R160 | R160-E162 PolarHBondContact O-N 3.48Š|
| 163 | P | 38.8 | Very low | 50.2 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 117.3 | 143.9 | 21.5 | -5.8 | 0 | 0 | 0 | 109.5 | T165 | P163-T165 PolarHBondContact O-N 2.96Š|
| 164 | C | 43.7 | Very low | 50.3 | Low | 112 Ų | 112 | 143.1 Ų | 143.1 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -55.8 | 107.9 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 165 | T | 45.1 | Very low | 50.3 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -112.3 | 104.8 | 165.7 | -49.3 | 0 | 0 | 0 | 0 | 108.1 | P163 N167 | P163-T165 PolarHBondContact O-N 2.96Å; T165-N167 PolarHBondContact O-N 3.04Å; T165-N167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | T | 49.4 | Very low | 50 | Low | 101 Ų | 101 | 137.7 Ų | 137.7 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 97.7 | -177.6 | 61.2 | 0 | 0 | 0 | 0 | 110 | N168 | T166-N168 PolarHBondContact O-N 2.96Š| ||
| 167 | N | 54.3 | Low | 50.1 | Low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -90.2 | 97.2 | 170.8 | -62.8 | -37.1 | 0 | 0 | 0 | 109 | T165 L169 | T165-N167 PolarHBondContact O-N 3.04Å; T165-N167 VanDerWaalsContact O-N 3.1Å; N167-L169 PolarHBondContact O-N 2.83Å | ||
| 168 | N | 57 | Low | 50.2 | Low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 87.3 | 172 | -70.3 | -63.9 | 0 | 0 | 0 | 110 | T166 | T166-N168 PolarHBondContact O-N 2.96Š| ||
| 169 | L | 55.9 | Low | 50.5 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -110.1 | 130 | 163.5 | -66.9 | 177.7 | 0 | 0 | 0 | 109.9 | N167 | N167-L169 PolarHBondContact O-N 2.83Š| ||
| 170 | T | 52.4 | Low | 50.6 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -58.5 | 133 | -179.5 | -34.4 | 0 | 0 | 0 | 0 | 110.7 | G172 | T170-G172 PolarHBondContact O-N 2.93Å; T170-G172 VanDerWaalsContact O-N 3.1Å | ||
| 171 | P | 47.6 | Very low | 50.7 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 109.2 | 177.5 | -14.9 | 28.5 | 0 | 0 | 0 | 110.2 | ||
| 172 | G | 56.7 | Low | 50.7 | Low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.7 | -18.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | T170 R174 | T170-G172 PolarHBondContact O-N 2.93Å; T170-G172 VanDerWaalsContact O-N 3.1Å; G172-R174 PolarHBondContact O-N 2.99Å; G172-R174 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 51.1 | Low | 51 | Low | 184 Ų | 184 | 138.9 Ų | 138.9 | 96% | 0.963 | 76% | 0.76 | S | S | * | * | trans | -89.2 | 82.4 | -178.4 | -61.4 | 178.2 | 0 | 0 | 0 | 111 | ||||
| 174 | R | 63.4 | Low | 51 | Low | 191 Ų | 191 | 138.4 Ų | 138.4 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 121.1 | 170.1 | -161.7 | 179.6 | -71.6 | -174.6 | -3.8 | 108.4 | G172 | G172-R174 PolarHBondContact O-N 2.99Å; G172-R174 VanDerWaalsContact O-N 3.08Å |
| 175 | A | 55.2 | Low | 51.3 | Low | 80 Ų | 80 | 142.6 Ų | 142.6 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 139.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R177 | A175-R177 PolarHBondContact O-N 2.84Š|
| 176 | P | 48.7 | Very low | 51.4 | Low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 125.6 | -179.5 | -10.8 | 22.6 | 0 | 0 | 0 | 109.8 | T178 | P176-T178 PolarHBondContact O-N 3.43Š|
| 177 | R | 54.9 | Low | 51.4 | Low | 203 Ų | 203 | 141 Ų | 141 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -74.7 | 13.8 | -179.1 | -86.9 | -166.7 | -78.5 | -111.8 | 6.9 | 114.9 | A175 | A175-R177 PolarHBondContact O-N 2.84Š|
| 178 | T | 55.3 | Low | 51 | Low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -142.3 | 107 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | P176 | P176-T178 PolarHBondContact O-N 3.43Š| ||
| 179 | L | 56.3 | Low | 50.5 | Low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 140.5 | 163.1 | -63.2 | 169.4 | 0 | 0 | 0 | 108.7 | W181 | L179-W181 PolarHBondContact O-N 2.98Å; L179-W181 VanDerWaalsContact O-N 3.1Å | ||
| 180 | P | 50.4 | Low | 50 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -76.9 | 6.4 | -172.2 | 29.6 | -32.9 | 0 | 0 | 0 | 114.5 | ||
| 181 | W | 44.6 | Very low | 49.6 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | -107.8 | 99.6 | -174.8 | -47.4 | 98.2 | 0 | 0 | 0 | 110.5 | L179 M183 | L179-W181 PolarHBondContact O-N 2.98Å; L179-W181 VanDerWaalsContact O-N 3.1Å; W181-M183 HydrophobicContact CB-CE 3.62Å; W181-M183 PolarHBondContact O-N 3.36Å; W181-M183 VanDerWaalsContact O-N 3.09Å | ||
| 182 | K | 44.1 | Very low | 49.7 | Very low | 209 Ų | 209 | 137.2 Ų | 137.2 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 103.6 | 165.4 | -70.3 | -169.1 | 178.8 | -175.9 | 0 | 108.5 | C184 | K182-C184 PolarHBondContact O-N 3.41Š| ||
| 183 | M | 46.5 | Very low | 49.4 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 74% | 0.744 | 72% | 0.716 | S | S | * | * | trans | -72.3 | 106.4 | 169.8 | -65.3 | -66.8 | 100.6 | 0 | 0 | 108.9 | W181 K185 | W181-M183 HydrophobicContact CB-CE 3.62Å; W181-M183 PolarHBondContact O-N 3.36Å; W181-M183 VanDerWaalsContact O-N 3.09Å; M183-K185 PolarHBondContact O-N 3.09Å | ||
| 184 | C | 39 | Very low | 49.3 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | -73.8 | 122.8 | 170.1 | -159.2 | 0 | 0 | 0 | 0 | 108.3 | K182 S186 C187 | K182-C184 PolarHBondContact O-N 3.41Å; C184-S186 PolarHBondContact O-N 3.22Å; C184-C187 PolarHBondContact O-N 2.97Å | ||
| 185 | K | 49.4 | Very low | 48.6 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 87% | 0.87 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -1.8 | -174.3 | -68.5 | -179.3 | 177.7 | 177.6 | 0 | 114.7 | M183 | M183-K185 PolarHBondContact O-N 3.09Š|
| 186 | S | 47.4 | Very low | 48.4 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -15.7 | 175.5 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | C184 | C184-S186 PolarHBondContact O-N 3.22Š|
| 187 | C | 49.4 | Very low | 48.5 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -91.5 | -14.1 | -172.3 | -133.9 | 0 | 0 | 0 | 0 | 115.1 | C184 I189 C190 | C184-C187 PolarHBondContact O-N 2.97Å; C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 PolarHBondContact O-N 3.11Å; C187-C190 PolarHBondContact O-N 3.1Å |
| 188 | L | 45 | Very low | 48.1 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.6 | -26.1 | -179.9 | -129.5 | 82.3 | 0 | 0 | 0 | 112.7 | ||
| 189 | I | 47.9 | Very low | 47.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -78.3 | -30.9 | -179 | -50 | 168.3 | 0 | 0 | 0 | 110.3 | C187 L193 | C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 PolarHBondContact O-N 3.11Å; I189-L193 HydrophobicContact CG2-CD1 4.24Å; I189-L193 PolarHBondContact O-N 2.96Å |
| 190 | C | 44 | Very low | 47.4 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 52% | 0.52 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -75.7 | -31.2 | -178.5 | -143 | 0 | 0 | 0 | 0 | 112.7 | C187 Q194 | C187-C190 PolarHBondContact O-N 3.1Å; C190-Q194 PolarHBondContact O-N 3.31Å |
| 191 | F | 43.8 | Very low | 47.5 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.1 | -27.2 | 177.8 | -134.2 | -91.6 | 0 | 0 | 0 | 112.9 | ||
| 192 | M | 50.1 | Low | 47.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 64% | 0.635 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80 | -27.4 | 175.2 | -66.4 | -67 | 102.7 | 0 | 0 | 112.9 | S196 | M192-S196 PolarHBondContact O-N 3.05Å |
| 193 | L | 51.4 | Low | 47.4 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.2 | -27.2 | 175.2 | -82.1 | 157.8 | 0 | 0 | 0 | 113.1 | I189 V197 | I189-L193 HydrophobicContact CG2-CD1 4.24Å; I189-L193 PolarHBondContact O-N 2.96Å; L193-V197 WeakPolarHBondContact O-CG2 3.19Å |
| 194 | Q | 49.1 | Very low | 47.5 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 68% | 0.682 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.3 | -24.6 | 174.3 | -147.7 | 84 | 15 | 0 | 0 | 113 | C190 | C190-Q194 PolarHBondContact O-N 3.31Å |
| 195 | H | 47.4 | Very low | 47.9 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -84.2 | -23.5 | 179.5 | -125.5 | -95.2 | 0 | 0 | 0 | 113.4 | ||
| 196 | S | 50.6 | Low | 47.9 | Very low | 72 Ų | 72 | 115 Ų | 115 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -76 | -37.3 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | M192 F198 L199 | M192-S196 PolarHBondContact O-N 3.05Å; S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.35Å; S196-L199 PolarHBondContact O-N 3.28Å |
| 197 | V | 50.7 | Low | 47.6 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.8 | -27.1 | 175.6 | -125.5 | 0 | 0 | 0 | 0 | 112.4 | L193 | L193-V197 WeakPolarHBondContact O-CG2 3.19Å |
| 198 | F | 46.9 | Very low | 47.3 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.9 | -28.9 | 179.1 | -146 | -97.2 | 0 | 0 | 0 | 112.6 | S196 W202 | S196-F198 VanDerWaalsContact C-N 3.3Å; S196-F198 PolarHBondContact O-N 3.35Å; F198-W202 PolarHBondContact O-N 2.96Å |
| 199 | L | 49.9 | Very low | 47.1 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.3 | -32.1 | 176.8 | -71.6 | 171.7 | 0 | 0 | 0 | 113.1 | S196 S203 | S196-L199 PolarHBondContact O-N 3.28Å; L199-S203 PolarHBondContact O-N 2.89Å; L199-S203 PolarHBondContact O-OG 3.33Å |
| 200 | M | 48.3 | Very low | 46.7 | Very low | 146 Ų | 146 | 115 Ų | 115 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.9 | -32.8 | 178.2 | -84.3 | 177.8 | 161 | 0 | 0 | 113.5 | ||
| 201 | V | 52.6 | Low | 46.8 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.2 | -30 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 202 | W | 37.7 | Very low | 46.9 | Very low | 176 Ų | 176 | 112.8 Ų | 112.8 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.3 | -30.9 | 179.6 | -146.3 | 9.2 | 0 | 0 | 0 | 113.1 | F198 H204 A205 V206 | F198-W202 PolarHBondContact O-N 2.96Å; W202-H204 PolarHBondContact O-N 3.21Å; W202-A205 PolarHBondContact O-N 3.45Å; W202-V206 WeakPolarHBondContact O-CG2 3.29Å; W202-V206 PolarHBondContact O-N 2.93Å |
| 203 | S | 47.5 | Very low | 46.7 | Very low | 78 Ų | 78 | 111 Ų | 111 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -31.4 | 175.2 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | L199 F207 | L199-S203 PolarHBondContact O-N 2.89Å; L199-S203 PolarHBondContact O-OG 3.33Å; S203-F207 PolarHBondContact O-N 2.77Å |
| 204 | H | 48.5 | Very low | 46.4 | Very low | 152 Ų | 152 | 112.9 Ų | 112.9 | 70% | 0.704 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.8 | -32.5 | 176.1 | -88 | -130.5 | 0 | 0 | 0 | 113.2 | W202 S208 | W202-H204 PolarHBondContact O-N 3.21Å; H204-S208 PolarHBondContact O-N 3.03Å; H204-S208 VanDerWaalsContact O-N 3.1Å |
| 205 | A | 47.7 | Very low | 46.2 | Very low | 59 Ų | 59 | 114 Ų | 114 | 49% | 0.488 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.4 | -35.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W202 | W202-A205 PolarHBondContact O-N 3.45Å |
| 206 | V | 49.9 | Very low | 46.3 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.9 | -32.9 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | W202 | W202-V206 WeakPolarHBondContact O-CG2 3.29Å; W202-V206 PolarHBondContact O-N 2.93Å |
| 207 | F | 41.4 | Very low | 46.3 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.6 | -32 | 177.3 | -121.2 | -96 | 0 | 0 | 0 | 113.7 | S203 | S203-F207 PolarHBondContact O-N 2.77Å |
| 208 | S | 43.1 | Very low | 45.8 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.3 | -19.8 | 178.6 | -169.4 | 0 | 0 | 0 | 0 | 113.9 | H204 | H204-S208 PolarHBondContact O-N 3.03Å; H204-S208 VanDerWaalsContact O-N 3.1Å |
| 209 | C | 40.6 | Very low | 45.8 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 64% | 0.635 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -86 | -26.2 | -179.9 | -149.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 210 | C | 40.2 | Very low | 45.9 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.8 | -24.1 | 177 | -91.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 211 | T | 44.3 | Very low | 46 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 49% | 0.491 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -85.2 | -8.7 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 212 | V | 47.3 | Very low | 45.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -94.5 | -25.5 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 213 | S | 46.1 | Very low | 46 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -86.5 | -11.2 | -179.1 | -150 | 0 | 0 | 0 | 0 | 115.2 | ||
| 214 | L | 43.5 | Very low | 46 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -99.6 | -3.9 | 176.6 | -124.3 | 78 | 0 | 0 | 0 | 114.7 | ||
| 215 | K | 45.7 | Very low | 46.1 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -94.1 | -4.7 | 174.7 | -69.7 | -179.3 | 179.2 | 178.6 | 0 | 113.7 | ||
| 216 | S | 50 | Low | 46.2 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -102.5 | 5.8 | -176.7 | -135.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 217 | L | 49.7 | Very low | 46 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -119.5 | 7.2 | 175.6 | -109.7 | 89.8 | 0 | 0 | 0 | 115 | ||
| 218 | W | 41.6 | Very low | 46.5 | Very low | 251 Ų | 251 | 123.5 Ų | 123.5 | 95% | 0.951 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -137.3 | 50.2 | 175.1 | -127.8 | 34.8 | 0 | 0 | 0 | 112.2 | ||
| 219 | S | 46.6 | Very low | 46.8 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -138.2 | 66 | 165.3 | 59 | 0 | 0 | 0 | 0 | 107.8 | ||
| 220 | G | 51.9 | Low | 47.1 | Very low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -166.2 | 12.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 221 | V | 50.9 | Low | 47.4 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -158.6 | 137.3 | 158.4 | -141.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 222 | H | 45.8 | Very low | 47.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | 90.7 | 64.2 | 159.6 | -140.1 | -85.5 | 0 | 0 | 0 | 119.2 | ||||
| 223 | L | 43.9 | Very low | 47.8 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -147.7 | 42.7 | 146.5 | -133.7 | 79 | 0 | 0 | 0 | 113.6 | ||||
| 224 | S | 47.8 | Very low | 47.7 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -108.5 | 78.4 | 159.6 | -62.2 | 0 | 0 | 0 | 0 | 107.2 | ||
| 225 | L | 49.9 | Very low | 47.9 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 177.4 | 3.6 | 161 | -99 | 159.4 | 0 | 0 | 0 | 115.6 | ||
| 226 | L | 49.7 | Very low | 47.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -116 | 33.3 | 175.4 | -66.9 | 174.8 | 0 | 0 | 0 | 113.4 | ||
| 227 | G | 45.8 | Very low | 47.5 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -103.7 | 5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 228 | S | 51.9 | Low | 47.5 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -123 | 9.6 | -170.6 | -145.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 229 | L | 50.2 | Low | 48 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -128.5 | -1.9 | 177.8 | -82.2 | 165.1 | 0 | 0 | 0 | 115.3 | ||
| 230 | Y | 46.1 | Very low | 48 | Very low | 204 Ų | 204 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -96.7 | -5.9 | 175.9 | -99.9 | -91.1 | 0 | 0 | 0 | 114.6 | ||
| 231 | F | 45.7 | Very low | 47.5 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -91.7 | -8.3 | 178.5 | -137.2 | -97.1 | 0 | 0 | 0 | 114.3 | ||
| 232 | S | 50.8 | Low | 47.3 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -100 | -1.9 | 177.8 | -64 | 0 | 0 | 0 | 0 | 114.9 | ||
| 233 | L | 49.6 | Very low | 47.1 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.7 | -3.8 | 177.6 | -97.1 | 153 | 0 | 0 | 0 | 114.1 | ||
| 234 | F | 43.9 | Very low | 46.8 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -99.8 | -6.4 | 177.6 | -126.1 | -94.5 | 0 | 0 | 0 | 114.3 | ||
| 235 | L | 48.3 | Very low | 46.8 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -102.1 | 8.5 | 178.5 | -93.3 | 163.1 | 0 | 0 | 0 | 114.6 | ||
| 236 | F | 44 | Very low | 46.6 | Very low | 195 Ų | 195 | 157.5 Ų | 157.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -119.6 | 14.1 | -179.8 | -110.7 | -81.3 | 0 | 0 | 0 | 114.9 | ||
| 237 | R | 44.1 | Very low | 46.4 | Very low | 238 Ų | 238 | 158.8 Ų | 158.8 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -123.7 | 23.4 | 177.2 | -154.3 | 157.1 | -179.8 | 118.1 | -1.4 | 114.6 | ||||
| 238 | T | 49.8 | Very low | 46.5 | Very low | 122 Ų | 122 | 163.6 Ų | 163.6 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -106.5 | 59.6 | 163 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 239 | D | 50.9 | Low | 46.1 | Very low | 145 Ų | 145 | 167.2 Ų | 167.2 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -165.5 | 96.5 | 157.6 | -157.5 | -97.6 | 0 | 0 | 0 | 109.3 | ||
| 240 | K | 47.3 | Very low | 45.9 | Very low | 206 Ų | 206 | 169.1 Ų | 169.1 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | trans | 159.6 | 119.2 | 145.7 | -93.4 | -176.7 | 176.4 | 179.6 | 0 | 110.6 | ||||
| 241 | G | 41.6 | Very low | 45.8 | Very low | 77 Ų | 77 | 166.6 Ų | 166.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 125.7 | 48 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 242 | Q | 45.5 | Very low | 45.9 | Very low | 183 Ų | 183 | 165.6 Ų | 165.6 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -64.4 | 129.2 | 133.9 | -79.3 | -179.9 | -23 | 0 | 0 | 106.8 | ||||
| 243 | N | 41.8 | Very low | 45.4 | Very low | 158 Ų | 158 | 171.6 Ų | 171.6 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | 159 | 86.9 | 149.3 | -76 | -18.6 | 0 | 0 | 0 | 108.3 | ||||
| 244 | E | 38.5 | Very low | 45.1 | Very low | 277 Ų | 277 | 174.5 Ų | 174.5 | 100% | 1.294 | 86% | 0.861 | S | S | * | * | trans | -170.8 | 0 | 135.2 | -101.5 | 178.7 | 170.8 | 0 | 0 | 109.2 |
Retrieved 244 of 244 residues in 640.8 ms
(Link to these results)