| 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 | 31.5 | Very low | 30 | Very low | 231 Ų | 231 | 159.9 Ų | 159.9 | 100% | 1.138 | 84% | 0.837 | S | S | * | * | 0 | 101.3 | 0 | -164 | 179.3 | -166.9 | 0 | 0 | 105.5 | |||||
| 2 | H | 30.7 | Very low | 30.4 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | cis | -128.9 | 140.4 | 14.1 | -99.3 | -97.8 | 0 | 0 | 0 | 109.6 | ||||
| 3 | I | 25.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 72% | 0.723 | 83% | 0.831 | S | S | * | * | trans | -85.7 | 135.5 | 164.3 | -67.1 | 166.5 | 0 | 0 | 0 | 105.9 | ||||
| 4 | L | 30.6 | Very low | 30.8 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -125.2 | 115.2 | 162.2 | -82.4 | 172.7 | 0 | 0 | 0 | 109.2 | ||||
| 5 | D | 28.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -59.8 | 135.5 | 178.9 | -63.4 | -62.5 | 0 | 0 | 0 | 112.4 | ||||
| 6 | R | 27.9 | Very low | 31.5 | Very low | 252 Ų | 252 | 154.5 Ų | 154.5 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -108.9 | 93.5 | 165.6 | -164.3 | 170.6 | 163.8 | -161.4 | -5.2 | 108.2 | ||||
| 7 | N | 28.4 | Very low | 32 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -79.4 | 143.8 | 179.5 | -150 | 6.3 | 0 | 0 | 0 | 111 | ||||
| 8 | S | 33 | Very low | 32.1 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -69.9 | 129.6 | -179.4 | -45.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | N | 28.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -143.8 | 123.2 | 156.4 | -106.2 | -9 | 0 | 0 | 0 | 109.8 | ||||
| 10 | A | 34.2 | Very low | 32.9 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -82.9 | 108.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | D | 31.7 | Very low | 33 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 119.3 | 172.4 | -84.4 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 12 | S | 34 | Very low | 33.8 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.1 | 171 | 37.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 13 | M | 31 | Very low | 34.4 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 147.5 | 169.6 | -73.9 | -71.8 | 129.3 | 0 | 0 | 111.4 | ||
| 14 | P | 35.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.6 | -173.8 | -6.5 | 23.4 | 0 | 0 | 0 | 111.7 | E16 | P14-E16 PolarHBondContact O-N 3.26Š|
| 15 | T | 39.4 | Very low | 36.8 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -77.9 | 112 | 175.2 | -23.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | E | 34.3 | Very low | 38.4 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -71 | 144.4 | 170.8 | -78 | -119.1 | 142.2 | 0 | 0 | 111.4 | P14 | P14-E16 PolarHBondContact O-N 3.26Š| ||
| 17 | P | 39.3 | Very low | 41 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -74.8 | 138.1 | -174.7 | 29.5 | -31.2 | 0 | 0 | 0 | 111.9 | H19 | P17-H19 PolarHBondContact O-N 3.45Å; P17-H19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | S | 34.1 | Very low | 44.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -58.3 | 108.8 | 175.7 | 48.4 | 0 | 0 | 0 | 0 | 112.6 | S20 | S18-S20 PolarHBondContact O-N 3.29Š| ||
| 19 | H | 39.6 | Very low | 47.2 | Very low | 191 Ų | 191 | 119.2 Ų | 119.2 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 107.7 | 159.5 | -84.7 | -69.2 | 0 | 0 | 0 | 109.9 | P17 G21 | P17-H19 PolarHBondContact O-N 3.45Å; P17-H19 VanDerWaalsContact O-N 3.15Å; H19-G21 PolarHBondContact O-N 3.09Å; H19-G21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | S | 41 | Very low | 50.5 | Low | 120 Ų | 120 | 114.1 Ų | 114.1 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -71.6 | 94.1 | 166.7 | 50.5 | 0 | 0 | 0 | 0 | 110 | S18 | S18-S20 PolarHBondContact O-N 3.29Š| ||
| 21 | G | 34.9 | Very low | 53.6 | Low | 62 Ų | 62 | 109.2 Ų | 109.2 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | trans | -80.8 | 141.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | H19 D23 | H19-G21 PolarHBondContact O-N 3.09Å; H19-G21 VanDerWaalsContact O-N 3.16Å; G21-D23 PolarHBondContact O-N 3.45Å | ||
| 22 | P | 47.8 | Very low | 56.7 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -86.5 | 88.4 | -178.9 | 34.6 | -29.6 | 0 | 0 | 0 | 109.5 | ||
| 23 | D | 44 | Very low | 59.6 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -157.5 | 115.2 | 154.8 | -101 | -28.8 | 0 | 0 | 0 | 107.6 | G21 L25 | G21-D23 PolarHBondContact O-N 3.45Å; D23-L25 PolarHBondContact O-N 2.94Å | ||
| 24 | G | 49.7 | Very low | 62.7 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 91% | 0.907 | 59% | 0.592 | S | S | * | * | trans | -66 | 66.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | N26 | G24-N26 PolarHBondContact O-N 3.17Š| ||
| 25 | L | 57.3 | Low | 65.7 | Low | 141 Ų | 141 | 95.5 Ų | 95.5 | 74% | 0.738 | 59% | 0.59 | S | S | * | * | trans | -72 | 109.9 | 167.7 | -71.9 | 167.2 | 0 | 0 | 0 | 107.6 | D23 A27 | D23-L25 PolarHBondContact O-N 2.94Å; L25-A27 PolarHBondContact O-N 3.48Å | ||
| 26 | N | 61.2 | Low | 68.4 | Low | 121 Ų | 121 | 89.6 Ų | 89.6 | 65% | 0.647 | 56% | 0.556 | S | S | * | * | trans | -39.7 | 110.1 | 171.9 | -95.5 | -11.6 | 0 | 0 | 0 | 110.3 | G24 N28 S44 | G24-N26 PolarHBondContact O-N 3.17Å; N26-N28 PolarHBondContact O-N 3Å; N26-S44 PolarHBondContact O-OG 2.67Å | ||
| 27 | A | 82.3 | Confident | 71.3 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -63.3 | -8.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L25 A36 | L25-A27 PolarHBondContact O-N 3.48Å; A27-A36 PolarHBondContact O-N 3.08Å |
| 28 | N | 95.1 | Very high | 73.8 | Confident | 93 Ų | 93 | 81.2 Ų | 81.2 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 142.3 | -178.1 | -63 | 70.5 | 0 | 0 | 0 | 111.3 | N26 A30 G33 | N26-N28 PolarHBondContact O-N 3Å; N28-A30 PolarHBondContact O-N 3.3Å; N28-G33 PolarHBondContact ND2-O 2.68Å |
| 29 | C | 97.4 | Very high | 76.8 | Confident | 4 Ų | 4 | 83 Ų | 83 | 3% | 0.027 | 51% | 0.514 | C | S | . | . | trans | -63.2 | 121.9 | 176 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | I31 C32 G33 D34 C46 | C29-I31 PolarHBondContact O-N 2.79Å; C29-C32 PolarHBondContact O-N 3.4Å; C29-G33 WeakPolarHBondContact O-CA 3.33Å; C29-G33 PolarHBondContact O-N 3.43Å; C29-D34 WeakPolarHBondContact CB-O 3.45Å; C29-D34 PolarHBondContact N-O 2.96Å; C29-C46 HydrophobicContact CB-CB 4.09Å; C29-C46 PolarHBondContact SG-N 2.98Å; C29-C46 VanDerWaalsContact SG-N 3.42Å | ||
| 30 | A | 97.1 | Very high | 79.5 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N28 S44 A92 | N28-A30 PolarHBondContact O-N 3.3Å; A30-S44 PolarHBondContact N-O 3.39Å; A30-A92 HydrophobicContact CB-CB 4.05Å |
| 31 | I | 98.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -49.3 | -178.6 | -59.1 | 88.1 | 0 | 0 | 0 | 111.5 | C29 C49 V73 R85 K88 A92 M94 | C29-I31 PolarHBondContact O-N 2.79Å; I31-C49 HydrophobicContact CB-CB 4.31Å; I31-C49 HydrophobicContact CD1-CB 4.35Å; I31-V73 HydrophobicContact CG2-CG1 4.06Å; I31-V73 WeakPolarHBondContact O-CG1 3.29Å; I31-R85 HydrophobicContact CG2-CG 4.39Å; I31-K88 HydrophobicContact CG2-CB 4.34Å; I31-K88 HydrophobicContact CG2-CD 4.4Å; I31-K88 HydrophobicContact CG2-CG 4.3Å; I31-K88 WeakPolarHBondContact O-CD 3.13Å; I31-K88 WeakPolarHBondContact O-CE 3.46Å; I31-K88 PolarHBondContact O-NZ 2.95Å; I31-A92 HydrophobicContact CD1-CB 4.15Å; I31-A92 HydrophobicContact CG1-CB 4.03Å; I31-M94 HydrophobicContact CD1-CE 3.73Å; I31-M94 HydrophobicContact CD1-SD 4.3Å |
| 32 | C | 97.1 | Very high | 85 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 2.1 | -171.6 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | C29 D34 V73 D74 K75 R78 | C29-C32 PolarHBondContact O-N 3.4Å; C32-D34 PolarHBondContact O-N 3.44Å; C32-D34 VanDerWaalsContact SG-CB 3.51Å; C32-V73 HydrophobicContact CB-CG1 4.23Å; C32-D74 CarbonylContact O-C 3.24Å; C32-D74 VanDerWaalsContact O-C 3.24Å; C32-D74 WeakPolarHBondContact O-CA 3.28Å; C32-K75 PolarHBondContact O-N 3.32Å; C32-R78 HydrophobicContact CB-CB 4.09Å; C32-R78 PolarHBondContact SG-NH1 2.86Å |
| 33 | G | 95.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 75.9 | -6.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N28 C29 | N28-G33 PolarHBondContact ND2-O 2.68Å; C29-G33 WeakPolarHBondContact O-CA 3.33Å; C29-G33 PolarHBondContact O-N 3.43Å |
| 34 | D | 96.7 | Very high | 89.8 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -64.3 | 164.8 | 174.8 | -165.4 | 13.7 | 0 | 0 | 0 | 112 | C29 C32 A36 C46 K75 R78 | C29-D34 WeakPolarHBondContact CB-O 3.45Å; C29-D34 PolarHBondContact N-O 2.96Å; C32-D34 PolarHBondContact O-N 3.44Å; C32-D34 VanDerWaalsContact SG-CB 3.51Å; D34-A36 PolarHBondContact O-N 3.23Å; D34-C46 HydrophobicContact CB-CB 4.28Å; D34-K75 HydrophobicContact CB-CB 4.45Å; D34-K75 HydrophobicContact CB-CG 4.18Å; D34-R78 IonicContact OD2-CZ 2.74Å; D34-R78 IonicContact OD2-NH1 3.15Å; D34-R78 PolarHBondContact OD2-NH1 3.15Å; D34-R78 IonicContact OD2-NH2 3.27Å |
| 35 | K | 96.5 | Very high | 92.1 | Very high | 165 Ų | 165 | 54.6 Ų | 54.6 | 72% | 0.717 | 33% | 0.325 | S | S | * | . | B | Isolated β-bridge | trans | -58.6 | 123 | -179.3 | -172.3 | 175.1 | -180 | 178.7 | 0 | 110.7 | C46 | K35-C46 WeakPolarHBondContact O-CB 3.49Å |
| 36 | A | 96.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 48 Ų | 48 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 140.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A27 D34 S44 | A27-A36 PolarHBondContact O-N 3.08Å; D34-A36 PolarHBondContact O-N 3.23Å; A36-S44 WeakPolarHBondContact CB-OG 3.36Å |
| 37 | T | 95.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | trans | -100.2 | -1.5 | 173.3 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | H40 S45 D47 | T37-H40 PolarHBondContact OG1-NE2 3.41Å; T37-S45 PolarHBondContact N-O 3.32Å; T37-D47 PolarHBondContact OG1-OD1 3.47Å | ||
| 38 | G | 93.2 | Very high | 96.5 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.6 | -166.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S44 S45 | G38-S44 WeakPolarHBondContact O-CA 3.49Å; G38-S45 PolarHBondContact O-N 3.02Å |
| 39 | K | 95.8 | Very high | 96.7 | Very high | 153 Ų | 153 | 40.2 Ų | 40.2 | 67% | 0.665 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.9 | 175.5 | -166.7 | 175.7 | -175.4 | 175.9 | 0 | 109.6 | G42 A43 | K39-G42 WeakPolarHBondContact CE-O 3.34Å; K39-A43 WeakPolarHBondContact CA-O 3.43Å |
| 40 | H | 96.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128 | 177.2 | -52.8 | -70.3 | 0 | 0 | 0 | 109.8 | T37 G42 A43 S45 K50 | T37-H40 PolarHBondContact OG1-NE2 3.41Å; H40-G42 PolarHBondContact O-N 3.47Å; H40-G42 VanDerWaalsContact O-N 3.08Å; H40-A43 PolarHBondContact N-O 3.07Å; H40-A43 PolarHBondContact O-N 2.94Å; H40-S45 WeakPolarHBondContact CB-OG 3.48Å; H40-S45 PolarHBondContact CD2-O 3.36Å; H40-S45 PolarHBondContact CD2-OG 2.87Å; H40-S45 VanDerWaalsContact CD2-OG 3.32Å; H40-K50 HydrophobicContact CB-CB 4.03Å; H40-K50 HydrophobicContact CB-CD 4.27Å; H40-K50 HydrophobicContact CB-CG 3.88Å; H40-K50 PolarHBondContact CE1-NZ 2.95Å; H40-K50 WeakPolarHBondContact ND1-CD 3.33Å; H40-K50 WeakPolarHBondContact ND1-CE 3.15Å; H40-K50 PolarHBondContact ND1-NZ 3.05Å |
| 41 | Y | 97 | Very high | 96.7 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 23.6 | -179.4 | -47.2 | -64.4 | 0 | 0 | 0 | 114.7 | K50 F53 R54 M94 K95 A98 V99 | Y41-K50 HydrophobicContact CE2-CB 4.48Å; Y41-K50 HydrophobicContact CE2-CG 3.8Å; Y41-K50 WeakPolarHBondContact CE2-O 3.46Å; Y41-F53 AromaticContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CE1 4.42Å; Y41-F53 HydrophobicContact CD2-CG 4.49Å; Y41-F53 HydrophobicContact CE2-CD1 4.31Å; Y41-F53 AromaticContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CE1 4.22Å; Y41-R54 HydrophobicContact CE2-CB 4.25Å; Y41-R54 WeakPolarHBondContact OH-CB 3.45Å; Y41-R54 WeakPolarHBondContact OH-CD 3.33Å; Y41-M94 CarbonylContact O-C 3.48Å; Y41-M94 VanDerWaalsContact O-CA 3.32Å; Y41-M94 WeakPolarHBondContact O-CA 3.47Å; Y41-K95 PolarHBondContact O-N 3.12Å; Y41-A98 HydrophobicContact CD1-CB 4.08Å; Y41-A98 WeakPolarHBondContact CD1-O 3.26Å; Y41-V99 HydrophobicContact CD1-CG2 3.77Å; Y41-V99 HydrophobicContact CE1-CB 4.41Å; Y41-V99 HydrophobicContact CE1-CG2 3.83Å; Y41-V99 HydrophobicContact CG-CG2 4.28Å |
| 42 | G | 94.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 42 Ų | 42 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | -12 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K39 H40 | K39-G42 WeakPolarHBondContact CE-O 3.34Å; H40-G42 PolarHBondContact O-N 3.47Å; H40-G42 VanDerWaalsContact O-N 3.08Å |
| 43 | A | 96.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K39 H40 S45 A92 M94 | K39-A43 WeakPolarHBondContact CA-O 3.43Å; H40-A43 PolarHBondContact N-O 3.07Å; H40-A43 PolarHBondContact O-N 2.94Å; A43-S45 PolarHBondContact O-N 2.74Å; A43-S45 PolarHBondContact O-OG 3.35Å; A43-A92 HydrophobicContact CB-CB 4.37Å; A43-A92 WeakPolarHBondContact CB-O 3.21Å; A43-M94 HydrophobicContact CB-CG 3.77Å |
| 44 | S | 97.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 118.6 | 170.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | N26 A30 A36 G38 | N26-S44 PolarHBondContact O-OG 2.67Å; A30-S44 PolarHBondContact N-O 3.39Å; A36-S44 WeakPolarHBondContact CB-OG 3.36Å; G38-S44 WeakPolarHBondContact O-CA 3.49Å |
| 45 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 161.9 | -173.7 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | T37 G38 H40 A43 M94 | T37-S45 PolarHBondContact N-O 3.32Å; G38-S45 PolarHBondContact O-N 3.02Å; H40-S45 WeakPolarHBondContact CB-OG 3.48Å; H40-S45 PolarHBondContact CD2-O 3.36Å; H40-S45 PolarHBondContact CD2-OG 2.87Å; H40-S45 VanDerWaalsContact CD2-OG 3.32Å; A43-S45 PolarHBondContact O-N 2.74Å; A43-S45 PolarHBondContact O-OG 3.35Å; S45-M94 WeakPolarHBondContact OG-CE 3.44Å |
| 46 | C | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -87.2 | 164.3 | 172.6 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | C29 D34 K35 G48 C49 K50 R78 | C29-C46 HydrophobicContact CB-CB 4.09Å; C29-C46 PolarHBondContact SG-N 2.98Å; C29-C46 VanDerWaalsContact SG-N 3.42Å; D34-C46 HydrophobicContact CB-CB 4.28Å; K35-C46 WeakPolarHBondContact O-CB 3.49Å; C46-G48 PolarHBondContact O-N 2.78Å; C46-G48 VanDerWaalsContact O-N 3.17Å; C46-C49 PolarHBondContact O-N 2.99Å; C46-C49 VanDerWaalsContact O-N 3.07Å; C46-K50 PolarHBondContact O-N 2.92Å; C46-R78 PolarHBondContact SG-NH1 3.35Å | ||
| 47 | D | 97.5 | Very high | 96.7 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.6 | -32.5 | 180 | -67.3 | -29.7 | 0 | 0 | 0 | 113.4 | T37 G51 | T37-D47 PolarHBondContact OG1-OD1 3.47Å; D47-G51 PolarHBondContact O-N 2.82Å |
| 48 | G | 97.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 42 Ų | 42 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C46 F52 R85 | C46-G48 PolarHBondContact O-N 2.78Å; C46-G48 VanDerWaalsContact O-N 3.17Å; G48-F52 VanDerWaalsContact O-CB 3.25Å; G48-F52 WeakPolarHBondContact O-CB 3.27Å; G48-F52 PolarHBondContact O-N 3.09Å; G48-F52 VanDerWaalsContact O-N 3.08Å; G48-R85 PolarHBondContact O-NH2 2.88Å |
| 49 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.4 | -35.7 | 178.9 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | I31 C46 F52 F53 R85 | I31-C49 HydrophobicContact CB-CB 4.31Å; I31-C49 HydrophobicContact CD1-CB 4.35Å; C46-C49 PolarHBondContact O-N 2.99Å; C46-C49 VanDerWaalsContact O-N 3.07Å; C49-F52 PolarHBondContact O-N 3.31Å; C49-F53 WeakPolarHBondContact O-CB 3.38Å; C49-F53 PolarHBondContact O-N 2.81Å; C49-R85 PolarHBondContact SG-NH2 2.86Å |
| 50 | K | 97.7 | Very high | 96.1 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -53.7 | -56.1 | 168.2 | 173.8 | -168.8 | -172.2 | 165.4 | 0 | 111.4 | H40 Y41 C46 F52 F53 R54 | H40-K50 HydrophobicContact CB-CB 4.03Å; H40-K50 HydrophobicContact CB-CD 4.27Å; H40-K50 HydrophobicContact CB-CG 3.88Å; H40-K50 PolarHBondContact CE1-NZ 2.95Å; H40-K50 WeakPolarHBondContact ND1-CD 3.33Å; H40-K50 WeakPolarHBondContact ND1-CE 3.15Å; H40-K50 PolarHBondContact ND1-NZ 3.05Å; Y41-K50 HydrophobicContact CE2-CB 4.48Å; Y41-K50 HydrophobicContact CE2-CG 3.8Å; Y41-K50 WeakPolarHBondContact CE2-O 3.46Å; C46-K50 PolarHBondContact O-N 2.92Å; K50-F52 PolarHBondContact O-N 2.88Å; K50-F53 PolarHBondContact O-N 3.39Å; K50-R54 WeakPolarHBondContact O-CB 3.3Å; K50-R54 PolarHBondContact O-N 3.09Å |
| 51 | G | 96.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | D47 R55 | D47-G51 PolarHBondContact O-N 2.82Å; G51-R55 WeakPolarHBondContact O-CG 3.42Å; G51-R55 PolarHBondContact O-N 2.64Å; G51-R55 VanDerWaalsContact O-N 3.11Å |
| 52 | F | 98.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -54.3 | 174.2 | 172.4 | -100.3 | 0 | 0 | 0 | 111.5 | G48 C49 K50 R54 R55 S56 Y63 R82 R85 L86 | G48-F52 VanDerWaalsContact O-CB 3.25Å; G48-F52 WeakPolarHBondContact O-CB 3.27Å; G48-F52 PolarHBondContact O-N 3.09Å; G48-F52 VanDerWaalsContact O-N 3.08Å; C49-F52 PolarHBondContact O-N 3.31Å; K50-F52 PolarHBondContact O-N 2.88Å; F52-R54 PolarHBondContact O-N 2.93Å; F52-R55 PolarHBondContact O-N 2.9Å; F52-S56 PolarHBondContact O-N 3.26Å; F52-S56 PolarHBondContact O-OG 3.47Å; F52-S56 VanDerWaalsContact O-OG 3.04Å; F52-Y63 HydrophobicContact CE2-CE2 4.09Å; F52-Y63 HydrophobicContact CZ-CD2 4.43Å; F52-Y63 AromaticContact CZ-CE2 3.83Å; F52-Y63 HydrophobicContact CZ-CE2 3.83Å; F52-R82 HydrophobicContact CE2-CB 4.12Å; F52-R82 HydrophobicContact CE2-CG 4.09Å; F52-R82 HydrophobicContact CZ-CB 4.17Å; F52-R82 WeakPolarHBondContact CZ-O 3.47Å; F52-R85 VanDerWaalsContact CD1-CD 3.49Å; F52-R85 HydrophobicContact CD1-CG 3.91Å; F52-R85 HydrophobicContact CE1-CB 3.93Å; F52-R85 HydrophobicContact CE1-CG 3.7Å; F52-R85 HydrophobicContact CZ-CB 4.11Å; F52-R85 HydrophobicContact CZ-CG 4.25Å; F52-L86 HydrophobicContact CE1-CB 3.8Å; F52-L86 HydrophobicContact CE1-CD1 4.2Å; F52-L86 HydrophobicContact CZ-CB 3.98Å |
| 53 | F | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | -179.9 | -170.9 | -101.7 | 0 | 0 | 0 | 111.5 | Y41 C49 K50 R55 S56 I57 L86 C89 F90 M94 K95 V99 | Y41-F53 AromaticContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CE1 4.42Å; Y41-F53 HydrophobicContact CD2-CG 4.49Å; Y41-F53 HydrophobicContact CE2-CD1 4.31Å; Y41-F53 AromaticContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CE1 4.22Å; C49-F53 WeakPolarHBondContact O-CB 3.38Å; C49-F53 PolarHBondContact O-N 2.81Å; K50-F53 PolarHBondContact O-N 3.39Å; F53-R55 PolarHBondContact O-N 3.26Å; F53-S56 PolarHBondContact O-N 2.88Å; F53-I57 HydrophobicContact CD1-CG1 4.1Å; F53-I57 HydrophobicContact CD2-CG1 4.45Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.22Å; F53-I57 HydrophobicContact CE2-CG1 4.18Å; F53-I57 HydrophobicContact CG-CG1 4.42Å; F53-I57 HydrophobicContact CZ-CD1 4.12Å; F53-I57 HydrophobicContact CZ-CG1 3.85Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.47Å; F53-L86 HydrophobicContact CD2-CD1 3.82Å; F53-L86 HydrophobicContact CE2-CD1 4.15Å; F53-C89 HydrophobicContact CD2-CB 3.48Å; F53-C89 VanDerWaalsContact CD2-CB 3.48Å; F53-C89 HydrophobicContact CE2-CB 3.93Å; F53-C89 HydrophobicContact CG-CB 4.42Å; F53-F90 AromaticContact CE2-CD1 3.93Å; F53-F90 HydrophobicContact CE2-CD1 3.93Å; F53-F90 AromaticContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE2 4.46Å; F53-F90 HydrophobicContact CE2-CG 4.45Å; F53-F90 AromaticContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CZ-CD1 4.16Å; F53-F90 AromaticContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CZ 4.32Å; F53-M94 HydrophobicContact CB-SD 3.74Å; F53-M94 HydrophobicContact CD1-CB 4.12Å; F53-M94 HydrophobicContact CD1-SD 4.15Å; F53-M94 HydrophobicContact CD2-CB 3.96Å; F53-M94 HydrophobicContact CD2-SD 3.86Å; F53-M94 HydrophobicContact CE1-CB 3.81Å; F53-M94 HydrophobicContact CE2-CB 3.63Å; F53-M94 HydrophobicContact CE2-SD 4.5Å; F53-M94 HydrophobicContact CG-CB 4.19Å; F53-M94 HydrophobicContact CG-SD 3.65Å; F53-M94 HydrophobicContact CZ-CB 3.55Å; F53-K95 WeakPolarHBondContact CE1-O 3.21Å; F53-V99 HydrophobicContact CD1-CG2 3.95Å; F53-V99 HydrophobicContact CE1-CG2 3.79Å |
| 54 | R | 96.6 | Very high | 95.8 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 37% | 0.366 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.8 | -49.2 | 176.1 | -173.9 | 178.6 | 66.1 | 154.7 | -1.8 | 112.6 | Y41 K50 F52 R58 V99 | Y41-R54 HydrophobicContact CE2-CB 4.25Å; Y41-R54 WeakPolarHBondContact OH-CB 3.45Å; Y41-R54 WeakPolarHBondContact OH-CD 3.33Å; K50-R54 WeakPolarHBondContact O-CB 3.3Å; K50-R54 PolarHBondContact O-N 3.09Å; F52-R54 PolarHBondContact O-N 2.93Å; R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.41Å; R54-V99 HydrophobicContact CG-CG1 4.12Å |
| 55 | R | 96 | Very high | 95.8 | Very high | 133 Ų | 133 | 56.2 Ų | 56.2 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67 | -41 | -179.3 | -73.6 | -174.6 | -61.9 | -94.6 | -0.7 | 112 | G51 F52 F53 K59 | G51-R55 WeakPolarHBondContact O-CG 3.42Å; G51-R55 PolarHBondContact O-N 2.64Å; G51-R55 VanDerWaalsContact O-N 3.11Å; F52-R55 PolarHBondContact O-N 2.9Å; F53-R55 PolarHBondContact O-N 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.01Å |
| 56 | S | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 112 | F52 F53 S60 H61 Y63 | F52-S56 PolarHBondContact O-N 3.26Å; F52-S56 PolarHBondContact O-OG 3.47Å; F52-S56 VanDerWaalsContact O-OG 3.04Å; F53-S56 PolarHBondContact O-N 2.88Å; S56-S60 PolarHBondContact O-N 3.2Å; S56-H61 PolarHBondContact O-N 3.24Å; S56-Y63 VanDerWaalsContact OG-CE2 3.3Å; S56-Y63 WeakPolarHBondContact OG-CE2 3.46Å; S56-Y63 PolarHBondContact OG-OH 2.79Å |
| 57 | I | 96 | Very high | 95.6 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71 | -49.1 | 176.9 | -65.1 | -44 | 0 | 0 | 0 | 112.1 | F53 K59 S60 F90 K96 V99 | F53-I57 HydrophobicContact CD1-CG1 4.1Å; F53-I57 HydrophobicContact CD2-CG1 4.45Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.22Å; F53-I57 HydrophobicContact CE2-CG1 4.18Å; F53-I57 HydrophobicContact CG-CG1 4.42Å; F53-I57 HydrophobicContact CZ-CD1 4.12Å; F53-I57 HydrophobicContact CZ-CG1 3.85Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.47Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 2.9Å; I57-S60 PolarHBondContact O-N 3.31Å; I57-F90 HydrophobicContact CD1-CE1 4.33Å; I57-F90 HydrophobicContact CD1-CZ 3.77Å; I57-K96 HydrophobicContact CB-CG 4.48Å; I57-K96 HydrophobicContact CD1-CB 4.25Å; I57-K96 HydrophobicContact CD1-CD 4.22Å; I57-K96 HydrophobicContact CD1-CG 3.86Å; I57-K96 HydrophobicContact CG1-CG 4.17Å; I57-K96 HydrophobicContact CG2-CD 4.36Å; I57-K96 HydrophobicContact CG2-CG 3.55Å; I57-V99 HydrophobicContact CB-CB 4.35Å; I57-V99 HydrophobicContact CB-CG1 4.32Å; I57-V99 HydrophobicContact CB-CG2 4.04Å; I57-V99 HydrophobicContact CG1-CG2 4.13Å; I57-V99 HydrophobicContact CG2-CB 3.83Å; I57-V99 HydrophobicContact CG2-CG1 4.05Å; I57-V99 HydrophobicContact CG2-CG2 3.95Å |
| 58 | R | 90.4 | Very high | 95.5 | Very high | 88 Ų | 88 | 73.4 Ų | 73.4 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | -177 | -77.2 | -176.8 | 178.5 | 176.7 | -6.6 | 113.4 | R54 S60 V99 Q100 N101 | R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.41Å; R58-S60 VanDerWaalsContact C-N 3.28Å; R58-V99 HydrophobicContact CG-CG1 3.93Å; R58-Q100 PolarHBondContact NE-O 2.89Å; R58-Q100 VanDerWaalsContact NE-O 3.17Å; R58-Q100 PolarHBondContact NH2-O 3.42Å; R58-N101 PolarHBondContact NH2-O 3.34Å |
| 59 | K | 91.4 | Very high | 95.4 | Very high | 148 Ų | 148 | 79.9 Ų | 79.9 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.3 | 178.6 | -64.5 | -172.7 | 173.9 | -166.1 | 0 | 112.9 | R55 I57 H61 | R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.01Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 2.9Å; K59-H61 VanDerWaalsContact CB-CD2 3.48Å; K59-H61 WeakPolarHBondContact CB-CD2 3.4Å; K59-H61 WeakPolarHBondContact CB-NE2 3.28Å; K59-H61 VanDerWaalsContact CD-NE2 3.32Å; K59-H61 WeakPolarHBondContact CD-NE2 3.42Å; K59-H61 PolarHBondContact O-N 2.96Å; K59-H61 VanDerWaalsContact O-N 3.09Å |
| 60 | S | 90.6 | Very high | 95.3 | Very high | 85 Ų | 85 | 87.7 Ų | 87.7 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 42.3 | -175.6 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | S56 I57 R58 V62 | S56-S60 PolarHBondContact O-N 3.2Å; I57-S60 PolarHBondContact O-N 3.31Å; R58-S60 VanDerWaalsContact C-N 3.28Å; S60-V62 PolarHBondContact O-N 3.06Å |
| 61 | H | 92.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 85.6 Ų | 85.6 | 38% | 0.375 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 126.1 | -175.1 | -81.1 | -56.3 | 0 | 0 | 0 | 111.2 | S56 K59 Y63 | S56-H61 PolarHBondContact O-N 3.24Å; K59-H61 VanDerWaalsContact CB-CD2 3.48Å; K59-H61 WeakPolarHBondContact CB-CD2 3.4Å; K59-H61 WeakPolarHBondContact CB-NE2 3.28Å; K59-H61 VanDerWaalsContact CD-NE2 3.32Å; K59-H61 WeakPolarHBondContact CD-NE2 3.42Å; K59-H61 PolarHBondContact O-N 2.96Å; K59-H61 VanDerWaalsContact O-N 3.09Å; H61-Y63 HydrophobicContact CB-CD1 4.46Å; H61-Y63 HydrophobicContact CB-CE1 3.74Å; H61-Y63 HydrophobicContact CB-CE2 4.05Å; H61-Y63 VanDerWaalsContact CB-CZ 3.49Å; H61-Y63 WeakPolarHBondContact CB-OH 3.19Å; H61-Y63 PolarHBondContact CD2-OH 3.21Å; H61-Y63 AromaticContact CG-CZ 3.97Å |
| 62 | V | 93.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 90 Ų | 90 | 82% | 0.824 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 118.7 | 167.2 | -175.8 | 0 | 0 | 0 | 0 | 108 | S60 | S60-V62 PolarHBondContact O-N 3.06Š|
| 63 | Y | 96.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 89.9 Ų | 89.9 | 18% | 0.184 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 155.3 | 176.6 | -58.2 | -55.5 | 0 | 0 | 0 | 110.6 | F52 S56 H61 R82 F83 L86 | F52-Y63 HydrophobicContact CE2-CE2 4.09Å; F52-Y63 HydrophobicContact CZ-CD2 4.43Å; F52-Y63 AromaticContact CZ-CE2 3.83Å; F52-Y63 HydrophobicContact CZ-CE2 3.83Å; S56-Y63 VanDerWaalsContact OG-CE2 3.3Å; S56-Y63 WeakPolarHBondContact OG-CE2 3.46Å; S56-Y63 PolarHBondContact OG-OH 2.79Å; H61-Y63 HydrophobicContact CB-CD1 4.46Å; H61-Y63 HydrophobicContact CB-CE1 3.74Å; H61-Y63 HydrophobicContact CB-CE2 4.05Å; H61-Y63 VanDerWaalsContact CB-CZ 3.49Å; H61-Y63 WeakPolarHBondContact CB-OH 3.19Å; H61-Y63 PolarHBondContact CD2-OH 3.21Å; H61-Y63 AromaticContact CG-CZ 3.97Å; Y63-R82 HydrophobicContact CD1-CB 3.8Å; Y63-R82 HydrophobicContact CD2-CB 3.75Å; Y63-R82 HydrophobicContact CE1-CB 4.06Å; Y63-R82 HydrophobicContact CE2-CB 3.99Å; Y63-R82 HydrophobicContact CG-CB 3.66Å; Y63-F83 WeakPolarHBondContact O-CD2 3.39Å; Y63-L86 HydrophobicContact CD2-CB 4.17Å; Y63-L86 HydrophobicContact CD2-CD2 3.77Å; Y63-L86 HydrophobicContact CE2-CB 4.44Å; Y63-L86 HydrophobicContact CE2-CD2 3.92Å |
| 64 | T | 95.8 | Very high | 95.1 | Very high | 113 Ų | 113 | 92.1 Ų | 92.1 | 69% | 0.693 | 44% | 0.443 | S | S | * | . | trans | -122.4 | 135.4 | 173.6 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 65 | C | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 93.2 Ų | 93.2 | 9% | 0.088 | 45% | 0.451 | C | S | . | . | trans | -78.7 | 136.6 | 170.6 | -169 | 0 | 0 | 0 | 0 | 110.1 | F67 R69 C71 C81 F83 | C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact SG-N 3.49Å; C65-F67 VanDerWaalsContact SG-N 3.35Å; C65-R69 HydrophobicContact CB-CB 4.46Å; C65-R69 HydrophobicContact CB-CG 3.76Å; C65-C71 VanDerWaalsContact SG-SG 3.61Å; C65-C81 VanDerWaalsContact SG-SG 3.65Å; C65-F83 HydrophobicContact CB-CB 4.1Å; C65-F83 HydrophobicContact CB-CD1 3.6Å; C65-F83 HydrophobicContact CB-CE1 4.31Å; C65-F83 HydrophobicContact CB-CG 3.97Å | ||
| 66 | R | 96.1 | Very high | 95.1 | Very high | 237 Ų | 237 | 93.3 Ų | 93.3 | 89% | 0.894 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -85.9 | -2.7 | 174.4 | -62.3 | -177.3 | 178.6 | 175.8 | -2.7 | 113.7 | ||
| 67 | F | 94.6 | Very high | 95 | Very high | 133 Ų | 133 | 99.4 Ų | 99.4 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -127.4 | -158.4 | -177.1 | -51.6 | -74.1 | 0 | 0 | 0 | 110 | C65 R69 | C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact SG-N 3.49Å; C65-F67 VanDerWaalsContact SG-N 3.35Å; F67-R69 PolarHBondContact O-N 3.04Å |
| 68 | S | 95.3 | Very high | 95 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -73.7 | 19.5 | -177.9 | 59.4 | 0 | 0 | 0 | 0 | 116 | Q70 | S68-Q70 WeakPolarHBondContact O-CG 3.44Å; S68-Q70 PolarHBondContact O-N 3.45Å; S68-Q70 VanDerWaalsContact O-N 3.09Å |
| 69 | R | 95.3 | Very high | 95.3 | Very high | 163 Ų | 163 | 102 Ų | 102 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 57.7 | 19.1 | -175.9 | -60.3 | -179.5 | -178.6 | -157.8 | 1.2 | 114.9 | C65 F67 F83 C84 | C65-R69 HydrophobicContact CB-CB 4.46Å; C65-R69 HydrophobicContact CB-CG 3.76Å; F67-R69 PolarHBondContact O-N 3.04Å; R69-F83 HydrophobicContact CB-CD1 4.44Å; R69-F83 HydrophobicContact CB-CE1 3.81Å; R69-F83 HydrophobicContact CG-CD1 4.19Å; R69-F83 HydrophobicContact CG-CE1 3.58Å; R69-F83 HydrophobicContact CG-CZ 4.18Å; R69-C84 VanDerWaalsContact C-SG 3.59Å |
| 70 | Q | 95.8 | Very high | 95.5 | Very high | 163 Ų | 163 | 101.7 Ų | 101.7 | 76% | 0.762 | 51% | 0.506 | S | S | * | . | trans | -119 | 28.7 | -179.5 | -65.4 | 173.6 | 15.7 | 0 | 0 | 112.5 | S68 V72 | S68-Q70 WeakPolarHBondContact O-CG 3.44Å; S68-Q70 PolarHBondContact O-N 3.45Å; S68-Q70 VanDerWaalsContact O-N 3.09Å; Q70-V72 PolarHBondContact O-N 3.48Å | ||
| 71 | C | 97.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 98.2 Ų | 98.2 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | trans | -63.2 | 135.1 | -179.3 | -53 | 0 | 0 | 0 | 0 | 111.3 | C65 V73 C81 C84 | C65-C71 VanDerWaalsContact SG-SG 3.61Å; C71-V73 PolarHBondContact O-N 3.29Å; C71-C81 HydrophobicContact CB-CB 3.84Å; C71-C84 HydrophobicContact CB-CB 3.86Å; C71-C84 VanDerWaalsContact SG-SG 3.63Å | ||
| 72 | V | 96.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | trans | -64 | 133 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | Q70 D74 | Q70-V72 PolarHBondContact O-N 3.48Å; V72-D74 HydrophobicContact CG1-CB 4.45Å; V72-D74 WeakPolarHBondContact CG1-OD2 3.47Å | ||
| 73 | V | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 97.4 Ų | 97.4 | 6% | 0.061 | 46% | 0.461 | C | S | . | . | trans | -120.8 | 96.2 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | I31 C32 C71 R78 C84 R85 K88 | I31-V73 HydrophobicContact CG2-CG1 4.06Å; I31-V73 WeakPolarHBondContact O-CG1 3.29Å; C32-V73 HydrophobicContact CB-CG1 4.23Å; C71-V73 PolarHBondContact O-N 3.29Å; V73-R78 HydrophobicContact CG1-CB 3.97Å; V73-C84 HydrophobicContact CG2-CB 4.27Å; V73-R85 HydrophobicContact CG1-CB 4.48Å; V73-R85 HydrophobicContact CG1-CG 4.18Å; V73-R85 HydrophobicContact CG2-CB 4.49Å; V73-K88 HydrophobicContact CB-CD 3.76Å; V73-K88 HydrophobicContact CG1-CD 4.17Å; V73-K88 HydrophobicContact CG2-CD 4.22Å; V73-K88 PolarHBondContact O-NZ 2.94Å | ||
| 74 | D | 96.8 | Very high | 96.5 | Very high | 46 Ų | 46 | 95.6 Ų | 95.6 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | trans | -121.8 | -177.2 | 175.5 | 58.9 | 42.2 | 0 | 0 | 0 | 110.2 | C32 V72 D76 K77 R78 | C32-D74 CarbonylContact O-C 3.24Å; C32-D74 VanDerWaalsContact O-C 3.24Å; C32-D74 WeakPolarHBondContact O-CA 3.28Å; V72-D74 HydrophobicContact CG1-CB 4.45Å; V72-D74 WeakPolarHBondContact CG1-OD2 3.47Å; D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.1Å; D74-D76 PolarHBondContact OD1-N 2.95Å; D74-D76 VanDerWaalsContact OD1-N 3.11Å; D74-K77 WeakPolarHBondContact OD1-CA 3.48Å; D74-K77 VanDerWaalsContact OD1-CB 3.31Å; D74-K77 WeakPolarHBondContact OD1-CB 3.41Å; D74-K77 PolarHBondContact OD1-N 3.37Å; D74-R78 WeakPolarHBondContact O-CB 3.35Å; D74-R78 PolarHBondContact O-N 3.49Å | ||
| 75 | K | 95.7 | Very high | 96.6 | Very high | 120 Ų | 120 | 90.7 Ų | 90.7 | 52% | 0.522 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -42.2 | -175.8 | -178.1 | -178.7 | 176.7 | -174.3 | 0 | 112.3 | C32 D34 | C32-K75 PolarHBondContact O-N 3.32Å; D34-K75 HydrophobicContact CB-CB 4.45Å; D34-K75 HydrophobicContact CB-CG 4.18Å |
| 76 | D | 95.3 | Very high | 96.6 | Very high | 136 Ų | 136 | 91 Ų | 91 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -34.9 | -170.3 | -53.6 | -51.6 | 0 | 0 | 0 | 111.8 | D74 | D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.1Å; D74-D76 PolarHBondContact OD1-N 2.95Å; D74-D76 VanDerWaalsContact OD1-N 3.11Å |
| 77 | K | 94.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 83.1 Ų | 83.1 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 3 | -173.2 | -57.1 | 179 | -174.8 | 176.3 | 0 | 113.8 | D74 N79 Q80 | D74-K77 WeakPolarHBondContact OD1-CA 3.48Å; D74-K77 VanDerWaalsContact OD1-CB 3.31Å; D74-K77 WeakPolarHBondContact OD1-CB 3.41Å; D74-K77 PolarHBondContact OD1-N 3.37Å; K77-N79 PolarHBondContact O-N 3.2Å; K77-Q80 VanDerWaalsContact O-CB 3.24Å; K77-Q80 WeakPolarHBondContact O-CB 3.26Å; K77-Q80 PolarHBondContact O-N 3.06Å |
| 78 | R | 96.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 17% | 0.17 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.7 | 177.2 | 60.7 | -170 | -171.2 | -167.6 | -4.5 | 114.8 | C32 D34 C46 V73 D74 R85 | C32-R78 HydrophobicContact CB-CB 4.09Å; C32-R78 PolarHBondContact SG-NH1 2.86Å; D34-R78 IonicContact OD2-CZ 2.74Å; D34-R78 IonicContact OD2-NH1 3.15Å; D34-R78 PolarHBondContact OD2-NH1 3.15Å; D34-R78 IonicContact OD2-NH2 3.27Å; C46-R78 PolarHBondContact SG-NH1 3.35Å; V73-R78 HydrophobicContact CG1-CB 3.97Å; D74-R78 WeakPolarHBondContact O-CB 3.35Å; D74-R78 PolarHBondContact O-N 3.49Å; R78-R85 VanDerWaalsContact O-CD 3.29Å; R78-R85 WeakPolarHBondContact O-CD 3.17Å |
| 79 | N | 96.6 | Very high | 97 | Very high | 118 Ų | 118 | 76 Ų | 76 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9.8 | 178.7 | -66.2 | -27.9 | 0 | 0 | 0 | 113.8 | K77 C81 R85 | K77-N79 PolarHBondContact O-N 3.2Å; N79-C81 PolarHBondContact O-N 3.46Å; N79-R85 PolarHBondContact OD1-NH1 3.19Å |
| 80 | Q | 96.3 | Very high | 97.1 | Very high | 143 Ų | 143 | 72.3 Ų | 72.3 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -66.6 | -36.7 | -174.8 | -170.7 | 63.7 | 24.5 | 0 | 0 | 113 | K77 | K77-Q80 VanDerWaalsContact O-CB 3.24Å; K77-Q80 WeakPolarHBondContact O-CB 3.26Å; K77-Q80 PolarHBondContact O-N 3.06Å |
| 81 | C | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -139.4 | 105.8 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | C65 C71 N79 F83 C84 R85 | C65-C81 VanDerWaalsContact SG-SG 3.65Å; C71-C81 HydrophobicContact CB-CB 3.84Å; N79-C81 PolarHBondContact O-N 3.46Å; C81-F83 VanDerWaalsContact C-N 3.32Å; C81-F83 PolarHBondContact O-N 3.46Å; C81-C84 HydrophobicContact CB-CB 4.13Å; C81-C84 PolarHBondContact O-N 2.71Å; C81-C84 VanDerWaalsContact SG-SG 3.61Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 PolarHBondContact O-N 3.46Å | ||
| 82 | R | 97.8 | Very high | 97.2 | Very high | 159 Ų | 159 | 74.3 Ų | 74.3 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.3 | -34.8 | 178.3 | -63.7 | -178 | 175.8 | 121.2 | -0.8 | 112.6 | F52 Y63 L86 | F52-R82 HydrophobicContact CE2-CB 4.12Å; F52-R82 HydrophobicContact CE2-CG 4.09Å; F52-R82 HydrophobicContact CZ-CB 4.17Å; F52-R82 WeakPolarHBondContact CZ-O 3.47Å; Y63-R82 HydrophobicContact CD1-CB 3.8Å; Y63-R82 HydrophobicContact CD2-CB 3.75Å; Y63-R82 HydrophobicContact CE1-CB 4.06Å; Y63-R82 HydrophobicContact CE2-CB 3.99Å; Y63-R82 HydrophobicContact CG-CB 3.66Å; R82-L86 WeakPolarHBondContact O-CB 3.46Å; R82-L86 PolarHBondContact O-N 3.42Å |
| 83 | F | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 71.2 Ų | 71.2 | 18% | 0.184 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -56.7 | 175.5 | 175.4 | -91 | 0 | 0 | 0 | 111.5 | Y63 C65 R69 C81 R85 L86 N87 | Y63-F83 WeakPolarHBondContact O-CD2 3.39Å; C65-F83 HydrophobicContact CB-CB 4.1Å; C65-F83 HydrophobicContact CB-CD1 3.6Å; C65-F83 HydrophobicContact CB-CE1 4.31Å; C65-F83 HydrophobicContact CB-CG 3.97Å; R69-F83 HydrophobicContact CB-CD1 4.44Å; R69-F83 HydrophobicContact CB-CE1 3.81Å; R69-F83 HydrophobicContact CG-CD1 4.19Å; R69-F83 HydrophobicContact CG-CE1 3.58Å; R69-F83 HydrophobicContact CG-CZ 4.18Å; C81-F83 VanDerWaalsContact C-N 3.32Å; C81-F83 PolarHBondContact O-N 3.46Å; F83-R85 VanDerWaalsContact C-N 3.28Å; F83-R85 PolarHBondContact O-N 3.39Å; F83-L86 PolarHBondContact O-N 3.31Å; F83-N87 WeakPolarHBondContact O-CB 3.27Å; F83-N87 PolarHBondContact O-N 2.82Å |
| 84 | C | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | -178.2 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | R69 C71 V73 C81 K88 | R69-C84 VanDerWaalsContact C-SG 3.59Å; C71-C84 HydrophobicContact CB-CB 3.86Å; C71-C84 VanDerWaalsContact SG-SG 3.63Å; V73-C84 HydrophobicContact CG2-CB 4.27Å; C81-C84 HydrophobicContact CB-CB 4.13Å; C81-C84 PolarHBondContact O-N 2.71Å; C81-C84 VanDerWaalsContact SG-SG 3.61Å; C84-K88 VanDerWaalsContact O-CB 3.29Å; C84-K88 WeakPolarHBondContact O-CB 3.38Å; C84-K88 PolarHBondContact O-N 3.03Å |
| 85 | R | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 4% | 0.038 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 174.5 | -169 | -170.4 | -169.9 | 162.2 | -2.7 | 112.3 | I31 G48 C49 F52 V73 R78 N79 C81 F83 K88 C89 | I31-R85 HydrophobicContact CG2-CG 4.39Å; G48-R85 PolarHBondContact O-NH2 2.88Å; C49-R85 PolarHBondContact SG-NH2 2.86Å; F52-R85 VanDerWaalsContact CD1-CD 3.49Å; F52-R85 HydrophobicContact CD1-CG 3.91Å; F52-R85 HydrophobicContact CE1-CB 3.93Å; F52-R85 HydrophobicContact CE1-CG 3.7Å; F52-R85 HydrophobicContact CZ-CB 4.11Å; F52-R85 HydrophobicContact CZ-CG 4.25Å; V73-R85 HydrophobicContact CG1-CB 4.48Å; V73-R85 HydrophobicContact CG1-CG 4.18Å; V73-R85 HydrophobicContact CG2-CB 4.49Å; R78-R85 VanDerWaalsContact O-CD 3.29Å; R78-R85 WeakPolarHBondContact O-CD 3.17Å; N79-R85 PolarHBondContact OD1-NH1 3.19Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 PolarHBondContact O-N 3.46Å; F83-R85 VanDerWaalsContact C-N 3.28Å; F83-R85 PolarHBondContact O-N 3.39Å; R85-K88 PolarHBondContact O-N 3.44Å; R85-C89 PolarHBondContact O-N 3.03Å; R85-C89 PolarHBondContact O-SG 3.45Å |
| 86 | L | 98.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 73.9 Ų | 73.9 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.6 | -176.5 | 61.4 | 0 | 0 | 0 | 111.4 | F52 F53 Y63 R82 F83 K88 C89 F90 | F52-L86 HydrophobicContact CE1-CB 3.8Å; F52-L86 HydrophobicContact CE1-CD1 4.2Å; F52-L86 HydrophobicContact CZ-CB 3.98Å; F53-L86 HydrophobicContact CD2-CD1 3.82Å; F53-L86 HydrophobicContact CE2-CD1 4.15Å; Y63-L86 HydrophobicContact CD2-CB 4.17Å; Y63-L86 HydrophobicContact CD2-CD2 3.77Å; Y63-L86 HydrophobicContact CE2-CB 4.44Å; Y63-L86 HydrophobicContact CE2-CD2 3.92Å; R82-L86 WeakPolarHBondContact O-CB 3.46Å; R82-L86 PolarHBondContact O-N 3.42Å; F83-L86 PolarHBondContact O-N 3.31Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.11Å; L86-C89 VanDerWaalsContact O-CB 3.3Å; L86-C89 WeakPolarHBondContact O-CB 3.28Å; L86-C89 PolarHBondContact O-N 2.92Å; L86-C89 VanDerWaalsContact O-N 3.16Å; L86-F90 HydrophobicContact CD1-CE2 4Å; L86-F90 HydrophobicContact CD1-CZ 4.48Å; L86-F90 HydrophobicContact CD2-CE2 4.36Å; L86-F90 HydrophobicContact CG-CD2 4.32Å; L86-F90 HydrophobicContact CG-CE2 3.83Å; L86-F90 VanDerWaalsContact O-CD2 3.3Å; L86-F90 WeakPolarHBondContact O-CD2 3.33Å; L86-F90 PolarHBondContact O-N 3.08Å |
| 87 | N | 97.7 | Very high | 97 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 174.6 | -167.5 | 46 | 0 | 0 | 0 | 111.6 | F83 C89 F90 R91 | F83-N87 WeakPolarHBondContact O-CB 3.27Å; F83-N87 PolarHBondContact O-N 2.82Å; N87-C89 VanDerWaalsContact C-N 3.35Å; N87-C89 PolarHBondContact O-N 3.4Å; N87-F90 PolarHBondContact O-N 3.24Å; N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.1Å |
| 88 | K | 98.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -32.9 | 175.7 | -164.4 | 172.1 | -177.9 | -172 | 0 | 112.6 | I31 V73 C84 R85 L86 R91 A92 | I31-K88 HydrophobicContact CG2-CB 4.34Å; I31-K88 HydrophobicContact CG2-CD 4.4Å; I31-K88 HydrophobicContact CG2-CG 4.3Å; I31-K88 WeakPolarHBondContact O-CD 3.13Å; I31-K88 WeakPolarHBondContact O-CE 3.46Å; I31-K88 PolarHBondContact O-NZ 2.95Å; V73-K88 HydrophobicContact CB-CD 3.76Å; V73-K88 HydrophobicContact CG1-CD 4.17Å; V73-K88 HydrophobicContact CG2-CD 4.22Å; V73-K88 PolarHBondContact O-NZ 2.94Å; C84-K88 VanDerWaalsContact O-CB 3.29Å; C84-K88 WeakPolarHBondContact O-CB 3.38Å; C84-K88 PolarHBondContact O-N 3.03Å; R85-K88 PolarHBondContact O-N 3.44Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.11Å; K88-R91 PolarHBondContact O-N 2.66Å; K88-A92 VanDerWaalsContact O-CB 3.31Å; K88-A92 WeakPolarHBondContact O-CB 3.33Å; K88-A92 PolarHBondContact O-N 2.96Å |
| 89 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 171 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | F53 R85 L86 N87 A92 G93 M94 | F53-C89 HydrophobicContact CD2-CB 3.48Å; F53-C89 VanDerWaalsContact CD2-CB 3.48Å; F53-C89 HydrophobicContact CE2-CB 3.93Å; F53-C89 HydrophobicContact CG-CB 4.42Å; R85-C89 PolarHBondContact O-N 3.03Å; R85-C89 PolarHBondContact O-SG 3.45Å; L86-C89 VanDerWaalsContact O-CB 3.3Å; L86-C89 WeakPolarHBondContact O-CB 3.28Å; L86-C89 PolarHBondContact O-N 2.92Å; L86-C89 VanDerWaalsContact O-N 3.16Å; N87-C89 VanDerWaalsContact C-N 3.35Å; N87-C89 PolarHBondContact O-N 3.4Å; C89-A92 PolarHBondContact O-N 2.99Å; C89-G93 PolarHBondContact O-N 2.98Å; C89-M94 HydrophobicContact CB-CB 4.28Å; C89-M94 HydrophobicContact CB-CG 4.3Å; C89-M94 HydrophobicContact CB-SD 3.61Å; C89-M94 VanDerWaalsContact O-CB 3.29Å; C89-M94 WeakPolarHBondContact O-CB 3.25Å; C89-M94 PolarHBondContact O-N 3Å |
| 90 | F | 98 | Very high | 96.2 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.9 | -70.6 | -61.5 | 0 | 0 | 0 | 112.3 | F53 I57 L86 N87 A92 G93 M94 K96 | F53-F90 AromaticContact CE2-CD1 3.93Å; F53-F90 HydrophobicContact CE2-CD1 3.93Å; F53-F90 AromaticContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE2 4.46Å; F53-F90 HydrophobicContact CE2-CG 4.45Å; F53-F90 AromaticContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CZ-CD1 4.16Å; F53-F90 AromaticContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CZ 4.32Å; I57-F90 HydrophobicContact CD1-CE1 4.33Å; I57-F90 HydrophobicContact CD1-CZ 3.77Å; L86-F90 HydrophobicContact CD1-CE2 4Å; L86-F90 HydrophobicContact CD1-CZ 4.48Å; L86-F90 HydrophobicContact CD2-CE2 4.36Å; L86-F90 HydrophobicContact CG-CD2 4.32Å; L86-F90 HydrophobicContact CG-CE2 3.83Å; L86-F90 VanDerWaalsContact O-CD2 3.3Å; L86-F90 WeakPolarHBondContact O-CD2 3.33Å; L86-F90 PolarHBondContact O-N 3.08Å; N87-F90 PolarHBondContact O-N 3.24Å; F90-A92 PolarHBondContact O-N 3.41Å; F90-G93 PolarHBondContact O-N 2.91Å; F90-M94 WeakPolarHBondContact CD1-O 3.45Å; F90-K96 HydrophobicContact CE1-CB 4.32Å |
| 91 | R | 97.3 | Very high | 95.4 | Very high | 204 Ų | 204 | 69.6 Ų | 69.6 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.6 | -31.3 | 176.6 | -71.7 | 177.2 | 63.9 | -168.3 | 0.2 | 113.4 | N87 K88 G93 | N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.1Å; K88-R91 PolarHBondContact O-N 2.66Å; R91-G93 PolarHBondContact O-N 2.89Å |
| 92 | A | 96.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 76.8 Ų | 76.8 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A30 I31 A43 K88 C89 F90 | A30-A92 HydrophobicContact CB-CB 4.05Å; I31-A92 HydrophobicContact CD1-CB 4.15Å; I31-A92 HydrophobicContact CG1-CB 4.03Å; A43-A92 HydrophobicContact CB-CB 4.37Å; A43-A92 WeakPolarHBondContact CB-O 3.21Å; K88-A92 VanDerWaalsContact O-CB 3.31Å; K88-A92 WeakPolarHBondContact O-CB 3.33Å; K88-A92 PolarHBondContact O-N 2.96Å; C89-A92 PolarHBondContact O-N 2.99Å; F90-A92 PolarHBondContact O-N 3.41Å |
| 93 | G | 96.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 78.1 Ų | 78.1 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 16.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C89 F90 R91 K95 | C89-G93 PolarHBondContact O-N 2.98Å; F90-G93 PolarHBondContact O-N 2.91Å; R91-G93 PolarHBondContact O-N 2.89Å; G93-K95 PolarHBondContact O-N 2.85Å |
| 94 | M | 98 | Very high | 91.8 | Very high | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | trans | -72 | 124.9 | 171.4 | -67.4 | -173.7 | 158 | 0 | 0 | 111 | I31 Y41 A43 S45 F53 C89 F90 | I31-M94 HydrophobicContact CD1-CE 3.73Å; I31-M94 HydrophobicContact CD1-SD 4.3Å; Y41-M94 CarbonylContact O-C 3.48Å; Y41-M94 VanDerWaalsContact O-CA 3.32Å; Y41-M94 WeakPolarHBondContact O-CA 3.47Å; A43-M94 HydrophobicContact CB-CG 3.77Å; S45-M94 WeakPolarHBondContact OG-CE 3.44Å; F53-M94 HydrophobicContact CB-SD 3.74Å; F53-M94 HydrophobicContact CD1-CB 4.12Å; F53-M94 HydrophobicContact CD1-SD 4.15Å; F53-M94 HydrophobicContact CD2-CB 3.96Å; F53-M94 HydrophobicContact CD2-SD 3.86Å; F53-M94 HydrophobicContact CE1-CB 3.81Å; F53-M94 HydrophobicContact CE2-CB 3.63Å; F53-M94 HydrophobicContact CE2-SD 4.5Å; F53-M94 HydrophobicContact CG-CB 4.19Å; F53-M94 HydrophobicContact CG-SD 3.65Å; F53-M94 HydrophobicContact CZ-CB 3.55Å; C89-M94 HydrophobicContact CB-CB 4.28Å; C89-M94 HydrophobicContact CB-CG 4.3Å; C89-M94 HydrophobicContact CB-SD 3.61Å; C89-M94 VanDerWaalsContact O-CB 3.29Å; C89-M94 WeakPolarHBondContact O-CB 3.25Å; C89-M94 PolarHBondContact O-N 3Å; F90-M94 WeakPolarHBondContact CD1-O 3.45Å | ||
| 95 | K | 96.4 | Very high | 90.5 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | trans | -96.8 | 125 | -174.8 | -74.9 | -178 | 172.4 | -160.8 | 0 | 111.2 | Y41 F53 G93 E97 A98 | Y41-K95 PolarHBondContact O-N 3.12Å; F53-K95 WeakPolarHBondContact CE1-O 3.21Å; G93-K95 PolarHBondContact O-N 2.85Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 4.28Å; K95-E97 WeakPolarHBondContact CB-OE1 3.24Å; K95-E97 VanDerWaalsContact CD-OE1 3.27Å; K95-E97 WeakPolarHBondContact CD-OE1 3.32Å; K95-E97 WeakPolarHBondContact CG-OE1 3.38Å; K95-E97 PolarHBondContact O-N 3.1Å; K95-A98 HydrophobicContact CB-CB 4Å; K95-A98 WeakPolarHBondContact O-CB 3.5Å; K95-A98 PolarHBondContact O-N 3.23Å | ||
| 96 | K | 95 | Very high | 89 | Confident | 113 Ų | 113 | 100 Ų | 100 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -62.8 | -41.1 | 179.7 | 179.5 | 177.9 | 177.7 | -174.1 | 0 | 110.7 | I57 F90 A98 V99 | I57-K96 HydrophobicContact CB-CG 4.48Å; I57-K96 HydrophobicContact CD1-CB 4.25Å; I57-K96 HydrophobicContact CD1-CD 4.22Å; I57-K96 HydrophobicContact CD1-CG 3.86Å; I57-K96 HydrophobicContact CG1-CG 4.17Å; I57-K96 HydrophobicContact CG2-CD 4.36Å; I57-K96 HydrophobicContact CG2-CG 3.55Å; F90-K96 HydrophobicContact CE1-CB 4.32Å; K96-A98 PolarHBondContact O-N 3.05Å; K96-V99 WeakPolarHBondContact O-CB 3.15Å; K96-V99 PolarHBondContact O-N 3.29Å; K96-V99 VanDerWaalsContact O-N 3.09Å |
| 97 | E | 92.3 | Very high | 87 | Confident | 143 Ų | 143 | 102.4 Ų | 102.4 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -64 | -20.8 | 179.2 | 66.9 | -83.5 | -165.1 | 0 | 0 | 113.5 | K95 V99 | K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 4.28Å; K95-E97 WeakPolarHBondContact CB-OE1 3.24Å; K95-E97 VanDerWaalsContact CD-OE1 3.27Å; K95-E97 WeakPolarHBondContact CD-OE1 3.32Å; K95-E97 WeakPolarHBondContact CG-OE1 3.38Å; K95-E97 PolarHBondContact O-N 3.1Å; E97-V99 PolarHBondContact O-N 2.93Å |
| 98 | A | 92.7 | Very high | 84.9 | Confident | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -78.6 | -5.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y41 K95 K96 Q100 | Y41-A98 HydrophobicContact CD1-CB 4.08Å; Y41-A98 WeakPolarHBondContact CD1-O 3.26Å; K95-A98 HydrophobicContact CB-CB 4Å; K95-A98 WeakPolarHBondContact O-CB 3.5Å; K95-A98 PolarHBondContact O-N 3.23Å; K96-A98 PolarHBondContact O-N 3.05Å; A98-Q100 PolarHBondContact O-N 3.33Å |
| 99 | V | 91.1 | Very high | 82.7 | Confident | 17 Ų | 17 | 111.6 Ų | 111.6 | 10% | 0.103 | 54% | 0.541 | C | S | . | . | trans | -88.5 | 103.3 | 178.2 | -177 | 0 | 0 | 0 | 0 | 109.6 | Y41 F53 R54 I57 R58 K96 E97 | Y41-V99 HydrophobicContact CD1-CG2 3.77Å; Y41-V99 HydrophobicContact CE1-CB 4.41Å; Y41-V99 HydrophobicContact CE1-CG2 3.83Å; Y41-V99 HydrophobicContact CG-CG2 4.28Å; F53-V99 HydrophobicContact CD1-CG2 3.95Å; F53-V99 HydrophobicContact CE1-CG2 3.79Å; R54-V99 HydrophobicContact CG-CG1 4.12Å; I57-V99 HydrophobicContact CB-CB 4.35Å; I57-V99 HydrophobicContact CB-CG1 4.32Å; I57-V99 HydrophobicContact CB-CG2 4.04Å; I57-V99 HydrophobicContact CG1-CG2 4.13Å; I57-V99 HydrophobicContact CG2-CB 3.83Å; I57-V99 HydrophobicContact CG2-CG1 4.05Å; I57-V99 HydrophobicContact CG2-CG2 3.95Å; R58-V99 HydrophobicContact CG-CG1 3.93Å; K96-V99 WeakPolarHBondContact O-CB 3.15Å; K96-V99 PolarHBondContact O-N 3.29Å; K96-V99 VanDerWaalsContact O-N 3.09Å; E97-V99 PolarHBondContact O-N 2.93Å | ||
| 100 | Q | 86.9 | Confident | 80.7 | Confident | 136 Ų | 136 | 118.3 Ų | 118.3 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 152.3 | 174.6 | -66.9 | 175.6 | -20 | 0 | 0 | 112.5 | R58 A98 | R58-Q100 PolarHBondContact NE-O 2.89Å; R58-Q100 VanDerWaalsContact NE-O 3.17Å; R58-Q100 PolarHBondContact NH2-O 3.42Å; A98-Q100 PolarHBondContact O-N 3.33Å |
| 101 | N | 79.1 | Confident | 78.3 | Confident | 139 Ų | 139 | 119.6 Ų | 119.6 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 168.6 | 171.1 | -71.4 | -17 | 0 | 0 | 0 | 111.8 | R58 R103 | R58-N101 PolarHBondContact NH2-O 3.34Å; N101-R103 PolarHBondContact O-N 2.92Å |
| 102 | E | 76.4 | Confident | 76.3 | Confident | 162 Ų | 162 | 116.2 Ų | 116.2 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.7 | 173.2 | -60.1 | -154.1 | 146.7 | 0 | 0 | 109.6 | ||
| 103 | R | 77.5 | Confident | 74.1 | Confident | 187 Ų | 187 | 119.7 Ų | 119.7 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 155.6 | 170.2 | -68.4 | -175.5 | -70 | -175 | -0.4 | 106.8 | N101 | N101-R103 PolarHBondContact O-N 2.92Š|
| 104 | D | 65.4 | Low | 71.7 | Confident | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 147 | 172.8 | -62.2 | -39.7 | 0 | 0 | 0 | 110.8 | I106 | D104-I106 PolarHBondContact O-N 3.5Å; D104-I106 VanDerWaalsContact O-N 3.11Å |
| 105 | R | 70.4 | Confident | 69.5 | Low | 204 Ų | 204 | 128.2 Ų | 128.2 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 119.1 | -179.8 | -69 | -176.7 | 177.5 | -168.1 | 1.6 | 108.3 | S107 | R105-S107 PolarHBondContact O-N 3.16Š|
| 106 | I | 67.8 | Low | 67.6 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | trans | -74.5 | 16.2 | 169.8 | -45.9 | 165.4 | 0 | 0 | 0 | 110.4 | D104 | D104-I106 PolarHBondContact O-N 3.5Å; D104-I106 VanDerWaalsContact O-N 3.11Å | ||
| 107 | S | 54.7 | Low | 66 | Low | 70 Ų | 70 | 130.9 Ų | 130.9 | 49% | 0.49 | 66% | 0.661 | S | S | . | * | trans | -90.9 | 121.1 | -179 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | R105 R109 | R105-S107 PolarHBondContact O-N 3.16Å; S107-R109 PolarHBondContact O-N 3.4Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-R109 PolarHBondContact OG-N 2.98Å | ||
| 108 | S | 54 | Low | 64.6 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 90% | 0.902 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -64.2 | -10.7 | 173 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | R110 | S108-R110 PolarHBondContact O-N 2.96Š|
| 109 | R | 51.6 | Low | 63.3 | Low | 207 Ų | 207 | 123.5 Ų | 123.5 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | trans | -80.1 | 101.3 | 169.4 | -92.5 | -176.9 | -167.6 | -169.4 | 3 | 111.1 | S107 | S107-R109 PolarHBondContact O-N 3.4Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-R109 PolarHBondContact OG-N 2.98Å | ||
| 110 | R | 55.9 | Low | 62.8 | Low | 142 Ų | 142 | 126.1 Ų | 126.1 | 54% | 0.536 | 64% | 0.638 | S | S | . | * | trans | -64.2 | 133.7 | 155.4 | -67.8 | -172.4 | -170.3 | 155.9 | 17 | 108.4 | S108 I112 D291 | S108-R110 PolarHBondContact O-N 2.96Å; R110-I112 PolarHBondContact O-N 3.41Å; R110-D291 IonicContact CZ-OD1 3.6Å; R110-D291 IonicContact NE-OD1 3.7Å; R110-D291 IonicContact NH1-OD1 2.73Å; R110-D291 PolarHBondContact NH1-OD1 2.91Å; R110-D291 IonicContact NH2-OD1 3.03Å; R110-D291 PolarHBondContact NH2-OD1 3.39Å | ||
| 111 | V | 49.2 | Very low | 62.9 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | trans | -89.9 | 99.2 | 168.9 | 178.8 | 0 | 0 | 0 | 0 | 105 | P113 | V111-P113 WeakPolarHBondContact O-CD 3.44Š| ||
| 112 | I | 55.6 | Low | 63.3 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 68% | 0.677 | 60% | 0.601 | S | S | * | * | trans | -68.7 | 122.8 | 171.4 | -58.5 | 174.5 | 0 | 0 | 0 | 106.2 | R110 D114 | R110-I112 PolarHBondContact O-N 3.41Å; I112-D114 PolarHBondContact O-N 3.48Å | ||
| 113 | P | 49.8 | Very low | 64 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 67% | 0.669 | 58% | 0.578 | S | S | * | * | trans | -59.3 | 132.7 | 174 | -19.3 | 31.5 | 0 | 0 | 0 | 109.9 | V111 S115 | V111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-S115 PolarHBondContact O-N 2.94Å | ||
| 114 | D | 45.6 | Very low | 64.8 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | trans | -63.2 | 96.9 | -179.1 | -146.6 | 17 | 0 | 0 | 0 | 109.5 | I112 Q116 | I112-D114 PolarHBondContact O-N 3.48Å; D114-Q116 VanDerWaalsContact OD1-CD 3.23Å; D114-Q116 VanDerWaalsContact OD1-CG 3.29Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.43Å; D114-Q116 PolarHBondContact OD1-NE2 3.13Å | ||
| 115 | S | 52.1 | Low | 66.2 | Low | 90 Ų | 90 | 97.5 Ų | 97.5 | 63% | 0.629 | 51% | 0.514 | S | S | * | . | trans | -130.4 | 64.7 | 168.8 | -55.9 | 0 | 0 | 0 | 0 | 106.6 | P113 D117 Q280 | P113-S115 PolarHBondContact O-N 2.94Å; S115-D117 PolarHBondContact O-N 2.98Å; S115-Q280 PolarHBondContact O-NE2 3.42Å | ||
| 116 | Q | 56.6 | Low | 67.4 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 95.8 | 179.7 | -71.3 | 175 | 13.6 | 0 | 0 | 109.1 | D114 | D114-Q116 VanDerWaalsContact OD1-CD 3.23Å; D114-Q116 VanDerWaalsContact OD1-CG 3.29Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.43Å; D114-Q116 PolarHBondContact OD1-NE2 3.13Å |
| 117 | D | 61.5 | Low | 68.7 | Low | 137 Ų | 137 | 85.7 Ų | 85.7 | 73% | 0.733 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | -20.8 | 159.2 | -77.8 | -46 | 0 | 0 | 0 | 111.9 | S115 | S115-D117 PolarHBondContact O-N 2.98Š|
| 118 | L | 62.3 | Low | 70.6 | Confident | 17 Ų | 17 | 83 Ų | 83 | 9% | 0.089 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -110.3 | 150.6 | 167.3 | -91.5 | 81.6 | 0 | 0 | 0 | 115.8 | F261 M277 Q280 V281 | L118-F261 HydrophobicContact CD2-CE2 4.23Å; L118-M277 HydrophobicContact CD1-CB 3.58Å; L118-M277 HydrophobicContact CD1-CE 4.14Å; L118-M277 HydrophobicContact CD1-CG 3.65Å; L118-M277 HydrophobicContact CD2-CB 4.07Å; L118-M277 HydrophobicContact CD2-CE 4.47Å; L118-M277 VanDerWaalsContact CD2-O 3.3Å; L118-M277 WeakPolarHBondContact CD2-O 3.36Å; L118-M277 HydrophobicContact CG-CB 4.34Å; L118-M277 HydrophobicContact CG-CE 4.28Å; L118-Q280 HydrophobicContact CB-CB 4.33Å; L118-Q280 HydrophobicContact CB-CG 3.9Å; L118-Q280 HydrophobicContact CD1-CB 4.19Å; L118-Q280 VanDerWaalsContact N-OE1 3.11Å; L118-V281 HydrophobicContact CD2-CG2 3.45Å; L118-V281 VanDerWaalsContact CD2-CG2 3.45Å |
| 119 | P | 65.9 | Low | 72.5 | Confident | 14 Ų | 14 | 79.7 Ų | 79.7 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | trans | -57.7 | 135.8 | 168.7 | 17.7 | -26.8 | 0 | 0 | 0 | 112.1 | I123 L124 I172 | P119-I123 HydrophobicContact CB-CB 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.75Å; P119-I123 HydrophobicContact CB-CG1 4.15Å; P119-I123 HydrophobicContact CB-CG2 3.43Å; P119-I123 VanDerWaalsContact CB-CG2 3.43Å; P119-I123 HydrophobicContact CG-CG2 4.29Å; P119-L124 HydrophobicContact CG-CD2 4.23Å; P119-I172 HydrophobicContact CG-CG2 3.86Å | ||
| 120 | P | 80.9 | Confident | 74.5 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | trans | -51.9 | 156.3 | 168.8 | -27.2 | 35 | 0 | 0 | 0 | 112.3 | T122 I123 L124 | P120-T122 PolarHBondContact O-N 2.89Å; P120-I123 WeakPolarHBondContact O-CB 3.32Å; P120-I123 PolarHBondContact O-N 3.49Å; P120-L124 PolarHBondContact O-N 3.34Å | ||
| 121 | I | 88.3 | Confident | 76.3 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -51.2 | -29.3 | 178.4 | -158.4 | 170.5 | 0 | 0 | 0 | 112.9 | L124 A125 N250 A254 L285 Y288 | I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.3Å; I121-A125 PolarHBondContact O-N 3.46Å; I121-N250 HydrophobicContact CD1-CB 4.02Å; I121-N250 WeakPolarHBondContact CD1-O 3.37Å; I121-N250 HydrophobicContact CG1-CB 4.07Å; I121-A254 HydrophobicContact CD1-CB 3.83Å; I121-A254 HydrophobicContact CG1-CB 4.09Å; I121-L285 HydrophobicContact CD1-CD1 4.17Å; I121-Y288 HydrophobicContact CD1-CD1 4.29Å; I121-Y288 HydrophobicContact CD1-CD2 4.38Å; I121-Y288 HydrophobicContact CD1-CG 3.99Å; I121-Y288 HydrophobicContact CG2-CD2 4.05Å |
| 122 | T | 87.9 | Confident | 78 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | P120 A125 Q126 | P120-T122 PolarHBondContact O-N 2.89Å; T122-A125 PolarHBondContact O-N 3.27Å; T122-Q126 WeakPolarHBondContact O-CB 3.37Å; T122-Q126 PolarHBondContact O-N 3.35Å |
| 123 | I | 91.3 | Very high | 79.3 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.8 | -37 | 174.6 | -64.1 | -176.8 | 0 | 0 | 0 | 109.9 | P119 P120 Q126 A127 | P119-I123 HydrophobicContact CB-CB 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.75Å; P119-I123 HydrophobicContact CB-CG1 4.15Å; P119-I123 HydrophobicContact CB-CG2 3.43Å; P119-I123 VanDerWaalsContact CB-CG2 3.43Å; P119-I123 HydrophobicContact CG-CG2 4.29Å; P120-I123 WeakPolarHBondContact O-CB 3.32Å; P120-I123 PolarHBondContact O-N 3.49Å; I123-Q126 WeakPolarHBondContact O-CB 3.42Å; I123-Q126 PolarHBondContact O-N 3.01Å; I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 2.95Å |
| 124 | L | 95 | Very high | 80.7 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.3 | -59 | 177.5 | 0 | 0 | 0 | 111 | P119 P120 I121 Q126 A127 E128 I172 A253 A257 V281 | P119-L124 HydrophobicContact CG-CD2 4.23Å; P120-L124 PolarHBondContact O-N 3.34Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.3Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.36Å; L124-A127 PolarHBondContact O-N 2.9Å; L124-E128 PolarHBondContact O-N 3.27Å; L124-I172 HydrophobicContact CD2-CD1 4.16Å; L124-I172 HydrophobicContact CD2-CG1 4.34Å; L124-I172 HydrophobicContact CD2-CG2 4.32Å; L124-A253 HydrophobicContact CB-CB 3.94Å; L124-A257 HydrophobicContact CD1-CB 3.78Å; L124-A257 HydrophobicContact CD2-CB 4.11Å; L124-V281 HydrophobicContact CD1-CG1 3.98Å; L124-V281 HydrophobicContact CD1-CG2 4.3Å |
| 125 | A | 94.4 | Very high | 81.9 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I121 T122 E128 S129 N250 A253 | I121-A125 PolarHBondContact O-N 3.46Å; T122-A125 PolarHBondContact O-N 3.27Å; A125-E128 WeakPolarHBondContact O-CB 3.5Å; A125-E128 PolarHBondContact O-N 3.21Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-N250 WeakPolarHBondContact CB-OD1 3.25Å; A125-A253 HydrophobicContact CB-CB 4.3Å |
| 126 | Q | 94.5 | Very high | 82.2 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 174 | -175.8 | 179.8 | 5.9 | 0 | 0 | 111.9 | T122 I123 L124 E128 S129 L130 | T122-Q126 WeakPolarHBondContact O-CB 3.37Å; T122-Q126 PolarHBondContact O-N 3.35Å; I123-Q126 WeakPolarHBondContact O-CB 3.42Å; I123-Q126 PolarHBondContact O-N 3.01Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.36Å; Q126-E128 VanDerWaalsContact C-N 3.27Å; Q126-E128 PolarHBondContact O-N 3.44Å; Q126-S129 PolarHBondContact O-N 3.22Å; Q126-L130 HydrophobicContact CG-CD1 4.22Å; Q126-L130 HydrophobicContact CG-CG 4.5Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.97Å |
| 127 | A | 95.5 | Very high | 82.2 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I123 L124 S131 I172 | I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 2.95Å; L124-A127 PolarHBondContact O-N 2.9Å; A127-S131 WeakPolarHBondContact O-CB 3.35Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 PolarHBondContact O-OG 3.38Å; A127-I172 HydrophobicContact CB-CG1 4.23Å |
| 128 | E | 94.9 | Very high | 82 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 7% | 0.065 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 173.2 | -177.6 | 57.4 | -151.2 | 0 | 0 | 111.7 | L124 A125 Q126 L130 S131 Q132 Y252 A253 K256 | L124-E128 PolarHBondContact O-N 3.27Å; A125-E128 WeakPolarHBondContact O-CB 3.5Å; A125-E128 PolarHBondContact O-N 3.21Å; Q126-E128 VanDerWaalsContact C-N 3.27Å; Q126-E128 PolarHBondContact O-N 3.44Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.47Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.9Å; E128-Q132 WeakPolarHBondContact O-CG 3.41Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact OE1-NE2 2.89Å; E128-Y252 HydrophobicContact CG-CD1 4.18Å; E128-Y252 HydrophobicContact CG-CE1 4.01Å; E128-A253 HydrophobicContact CB-CB 4.49Å; E128-K256 WeakPolarHBondContact OE2-CD 3.36Å; E128-K256 IonicContact OE2-NZ 2.85Å; E128-K256 PolarHBondContact OE2-NZ 2.92Å |
| 129 | S | 93.5 | Very high | 81.4 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | A125 Q126 | A125-S129 PolarHBondContact O-N 3.45Å; Q126-S129 PolarHBondContact O-N 3.22Å |
| 130 | L | 94.1 | Very high | 80.7 | Confident | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.293 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.9 | -70.2 | 171.6 | 0 | 0 | 0 | 111.8 | Q126 E128 Q132 Q133 Y171 | Q126-L130 HydrophobicContact CG-CD1 4.22Å; Q126-L130 HydrophobicContact CG-CG 4.5Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.97Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.47Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.41Å; L130-Q133 PolarHBondContact O-N 3.31Å; L130-Y171 HydrophobicContact CB-CD2 3.76Å; L130-Y171 HydrophobicContact CB-CE2 3.57Å; L130-Y171 HydrophobicContact CB-CG 4.4Å; L130-Y171 HydrophobicContact CD1-CD1 4.07Å; L130-Y171 HydrophobicContact CD1-CD2 4.31Å; L130-Y171 HydrophobicContact CD1-CE1 4.27Å; L130-Y171 HydrophobicContact CD1-CE2 4.49Å; L130-Y171 HydrophobicContact CD1-CG 4.11Å |
| 131 | S | 92.6 | Very high | 79.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -32.2 | -179.2 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | A127 E128 Q133 I134 | A127-S131 WeakPolarHBondContact O-CB 3.35Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 PolarHBondContact O-OG 3.38Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.9Å; S131-Q133 VanDerWaalsContact C-N 3.3Å; S131-Q133 PolarHBondContact O-N 2.85Å; S131-I134 WeakPolarHBondContact O-CB 3.43Å; S131-I134 PolarHBondContact O-N 3.35Å |
| 132 | Q | 85.6 | Confident | 77.8 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.5 | -27.7 | 177.5 | -70 | 175.6 | 5.2 | 0 | 0 | 113.1 | E128 L130 I134 I135 | E128-Q132 WeakPolarHBondContact O-CG 3.41Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact OE1-NE2 2.89Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.41Å; Q132-I134 PolarHBondContact O-N 3.09Å; Q132-I135 PolarHBondContact O-N 2.77Å |
| 133 | Q | 83.3 | Confident | 76.3 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 65% | 0.654 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.7 | 178.4 | -65.4 | 172.3 | 29.5 | 0 | 0 | 113.4 | L130 S131 I135 | L130-Q133 PolarHBondContact O-N 3.31Å; S131-Q133 VanDerWaalsContact C-N 3.3Å; S131-Q133 PolarHBondContact O-N 2.85Å; Q133-I135 VanDerWaalsContact C-N 3.25Å; Q133-I135 PolarHBondContact O-N 3.37Å |
| 134 | I | 78.4 | Confident | 74.7 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.2 | 178.2 | -57.4 | 175 | 0 | 0 | 0 | 110.8 | S131 Q132 E167 Y171 | S131-I134 WeakPolarHBondContact O-CB 3.43Å; S131-I134 PolarHBondContact O-N 3.35Å; Q132-I134 PolarHBondContact O-N 3.09Å; I134-E167 HydrophobicContact CD1-CB 3.44Å; I134-E167 VanDerWaalsContact CD1-CB 3.44Å; I134-E167 HydrophobicContact CD1-CG 3.88Å; I134-Y171 HydrophobicContact CD1-CE2 4.47Å |
| 135 | I | 71.6 | Confident | 73.4 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -90.6 | 136.2 | 178.3 | -53.2 | 161.3 | 0 | 0 | 0 | 107.7 | Q132 Q133 V164 G213 | Q132-I135 PolarHBondContact O-N 2.77Å; Q133-I135 VanDerWaalsContact C-N 3.25Å; Q133-I135 PolarHBondContact O-N 3.37Å; I135-V164 HydrophobicContact CD1-CG1 4.41Å; I135-V164 HydrophobicContact CD1-CG2 4.02Å; I135-V164 HydrophobicContact CG1-CG2 3.77Å; I135-G213 WeakPolarHBondContact CG2-O 3.34Å |
| 136 | T | 58.5 | Low | 72.5 | Confident | 115 Ų | 115 | 77 Ų | 77 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | trans | -52.9 | 126.2 | 170.7 | -37.9 | 0 | 0 | 0 | 0 | 108.5 | V138 | T136-V138 PolarHBondContact O-N 3.12Š| ||
| 137 | P | 56.7 | Low | 72.1 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 74% | 0.74 | 44% | 0.438 | S | S | * | . | trans | -58.3 | 113.5 | 179.7 | 20.3 | -29.2 | 0 | 0 | 0 | 107.9 | G139 | P137-G139 PolarHBondContact O-N 3.32Š| ||
| 138 | V | 56 | Low | 71.9 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 33% | 0.333 | 46% | 0.457 | S | S | . | . | trans | -70.5 | 70.9 | 164 | -177.5 | 0 | 0 | 0 | 0 | 104.6 | T136 L140 V141 L211 | T136-V138 PolarHBondContact O-N 3.12Å; V138-L140 PolarHBondContact O-N 2.8Å; V138-V141 HydrophobicContact CG1-CG2 3.37Å; V138-L211 HydrophobicContact CG1-CD1 4.34Å; V138-L211 HydrophobicContact CG1-CD2 4.38Å | ||
| 139 | G | 51 | Low | 71.8 | Confident | 50 Ų | 50 | 80 Ų | 80 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | trans | -59.5 | 136.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P137 V141 | P137-G139 PolarHBondContact O-N 3.32Å; G139-V141 WeakPolarHBondContact O-CA 3.44Å; G139-V141 WeakPolarHBondContact O-CG2 3.17Å; G139-V141 PolarHBondContact O-N 3.2Å | ||
| 140 | L | 50.1 | Low | 71.7 | Confident | 186 Ų | 186 | 80.6 Ų | 80.6 | 97% | 0.974 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 1.5 | 73.2 | 171.5 | -82.2 | 152.8 | 0 | 0 | 0 | 112.8 | V138 D142 | V138-L140 PolarHBondContact O-N 2.8Å; L140-D142 PolarHBondContact O-N 2.74Å |
| 141 | V | 52.5 | Low | 71.6 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 35% | 0.345 | 45% | 0.453 | S | S | . | . | trans | -75.8 | 125.9 | -176.3 | -169.5 | 0 | 0 | 0 | 0 | 105.4 | V138 G139 V143 V146 | V138-V141 HydrophobicContact CG1-CG2 3.37Å; G139-V141 WeakPolarHBondContact O-CA 3.44Å; G139-V141 WeakPolarHBondContact O-CG2 3.17Å; G139-V141 PolarHBondContact O-N 3.2Å; V141-V143 PolarHBondContact O-N 2.99Å; V141-V143 VanDerWaalsContact O-N 3.12Å; V141-V146 HydrophobicContact CB-CG2 4.21Å; V141-V146 HydrophobicContact CG1-CG2 3.69Å | ||
| 142 | D | 55.6 | Low | 71.6 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | trans | -57.3 | 119.9 | 170.4 | -161.8 | -0.5 | 0 | 0 | 0 | 107.5 | L140 S144 D145 | L140-D142 PolarHBondContact O-N 2.74Å; D142-S144 PolarHBondContact O-N 2.73Å; D142-D145 PolarHBondContact O-N 3.19Å; D142-D145 VanDerWaalsContact O-N 3.07Å | ||
| 143 | V | 57.3 | Low | 71.9 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 47% | 0.473 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -58.8 | -20.7 | -167 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | V141 F209 | V141-V143 PolarHBondContact O-N 2.99Å; V141-V143 VanDerWaalsContact O-N 3.12Å; V143-F209 HydrophobicContact CG1-CE1 3.67Å; V143-F209 HydrophobicContact CG1-CZ 3.9Å; V143-F209 HydrophobicContact CG2-CZ 4.23Å |
| 144 | S | 57.2 | Low | 72.5 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 63% | 0.629 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -71.8 | -23.2 | 179.3 | 47.4 | 0 | 0 | 0 | 0 | 115.5 | D142 | D142-S144 PolarHBondContact O-N 2.73Š|
| 145 | D | 67 | Low | 73.2 | Confident | 138 Ų | 138 | 67 Ų | 67 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -105.2 | 6.8 | -174.7 | -71.9 | -20.9 | 0 | 0 | 0 | 113.5 | D142 K147 | D142-D145 PolarHBondContact O-N 3.19Å; D142-D145 VanDerWaalsContact O-N 3.07Å; D145-K147 PolarHBondContact O-N 2.74Å |
| 146 | V | 75.8 | Confident | 74.3 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 119.6 | -173.1 | -157.5 | 0 | 0 | 0 | 0 | 111.4 | V141 S148 G215 V217 | V141-V146 HydrophobicContact CB-CG2 4.21Å; V141-V146 HydrophobicContact CG1-CG2 3.69Å; V146-S148 PolarHBondContact O-N 2.99Å; V146-G215 WeakPolarHBondContact CG1-O 3.29Å; V146-V217 HydrophobicContact CB-CG1 4.07Å; V146-V217 HydrophobicContact CB-CG2 3.99Å; V146-V217 HydrophobicContact CG1-CB 4.15Å; V146-V217 HydrophobicContact CG1-CG1 3.39Å; V146-V217 HydrophobicContact CG1-CG2 3.85Å |
| 147 | K | 87.4 | Confident | 76 | Confident | 118 Ų | 118 | 64.6 Ų | 64.6 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.7 | 178 | -178 | -169.6 | 167.9 | -157.8 | 0 | 110.9 | D145 A149 D153 C216 V217 | D145-K147 PolarHBondContact O-N 2.74Å; K147-A149 PolarHBondContact O-N 3.27Å; K147-D153 VanDerWaalsContact NZ-CG 3.3Å; K147-D153 IonicContact NZ-OD1 3.71Å; K147-D153 PolarHBondContact NZ-OD1 3.26Å; K147-D153 IonicContact NZ-OD2 3.62Å; K147-D153 PolarHBondContact NZ-OD2 3.03Å; K147-C216 WeakPolarHBondContact O-CA 3.43Å; K147-V217 PolarHBondContact O-N 2.96Å |
| 148 | S | 91.1 | Very high | 77.9 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -63.9 | 130.6 | 167.7 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | V146 V217 H219 | V146-S148 PolarHBondContact O-N 2.99Å; S148-V217 WeakPolarHBondContact CA-O 3.36Å; S148-H219 PolarHBondContact OG-CD2 3.33Å |
| 149 | A | 92.4 | Very high | 79.8 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 134.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K147 D153 V154 L212 C216 V217 I218 | K147-A149 PolarHBondContact O-N 3.27Å; A149-D153 HydrophobicContact CB-CB 4.1Å; A149-V154 HydrophobicContact CB-CG2 4.07Å; A149-L212 HydrophobicContact CB-CD1 3.64Å; A149-C216 HydrophobicContact CB-CB 3.82Å; A149-V217 WeakPolarHBondContact CB-O 3.4Å; A149-V217 PolarHBondContact N-O 3.28Å; A149-I218 HydrophobicContact CB-CG1 4.1Å |
| 150 | T | 92.4 | Very high | 81.9 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 168.9 | 162.2 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | G152 D153 V154 | T150-G152 PolarHBondContact O-N 3.05Å; T150-G152 PolarHBondContact OG1-N 2.98Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 3.41Å; T150-D153 PolarHBondContact O-N 3.46Å; T150-D153 VanDerWaalsContact O-N 3.1Å; T150-D153 PolarHBondContact OG1-N 2.95Å; T150-D153 PolarHBondContact OG1-OD2 3.1Å; T150-V154 WeakPolarHBondContact O-CG2 3.44Å; T150-V154 PolarHBondContact O-N 3.47Å |
| 151 | V | 91.5 | Very high | 84.1 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -52.3 | -41.6 | 172.1 | -175 | 0 | 0 | 0 | 0 | 111.7 | V154 C155 I227 I324 A330 | V151-V154 PolarHBondContact O-N 3.36Å; V151-C155 PolarHBondContact O-N 3.41Å; V151-C155 PolarHBondContact O-SG 2.94Å; V151-I227 HydrophobicContact CB-CD1 4.28Å; V151-I227 HydrophobicContact CG2-CD1 3.75Å; V151-I324 HydrophobicContact CG1-CD1 3.92Å; V151-I324 HydrophobicContact CG1-CG1 4.48Å; V151-I324 HydrophobicContact CG1-CG2 3.71Å; V151-A330 HydrophobicContact CB-CB 4.43Å; V151-A330 HydrophobicContact CG1-CB 3.7Å |
| 152 | G | 92 | Very high | 86.2 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T150 V154 C155 D156 | T150-G152 PolarHBondContact O-N 3.05Å; T150-G152 PolarHBondContact OG1-N 2.98Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 3.26Å; G152-C155 PolarHBondContact O-N 3.01Å; G152-D156 WeakPolarHBondContact O-CB 3.47Å; G152-D156 PolarHBondContact O-N 3.31Å |
| 153 | D | 92.7 | Very high | 88.1 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | 176.8 | -60.7 | -67.1 | 0 | 0 | 0 | 111.5 | K147 A149 T150 S157 N214 C216 | K147-D153 VanDerWaalsContact NZ-CG 3.3Å; K147-D153 IonicContact NZ-OD1 3.71Å; K147-D153 PolarHBondContact NZ-OD1 3.26Å; K147-D153 IonicContact NZ-OD2 3.62Å; K147-D153 PolarHBondContact NZ-OD2 3.03Å; A149-D153 HydrophobicContact CB-CB 4.1Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 3.41Å; T150-D153 PolarHBondContact O-N 3.46Å; T150-D153 VanDerWaalsContact O-N 3.1Å; T150-D153 PolarHBondContact OG1-N 2.95Å; T150-D153 PolarHBondContact OG1-OD2 3.1Å; D153-S157 WeakPolarHBondContact O-CB 3.25Å; D153-S157 PolarHBondContact O-N 3.25Å; D153-N214 PolarHBondContact O-ND2 3.04Å; D153-C216 HydrophobicContact CB-CB 4.48Å |
| 154 | V | 94.3 | Very high | 90 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 174.7 | 178 | 0 | 0 | 0 | 0 | 110.9 | A149 T150 V151 G152 D156 S157 M158 L212 I218 I227 | A149-V154 HydrophobicContact CB-CG2 4.07Å; T150-V154 WeakPolarHBondContact O-CG2 3.44Å; T150-V154 PolarHBondContact O-N 3.47Å; V151-V154 PolarHBondContact O-N 3.36Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 3.26Å; V154-D156 VanDerWaalsContact C-N 3.32Å; V154-D156 PolarHBondContact O-N 3.31Å; V154-S157 PolarHBondContact O-N 2.84Å; V154-M158 HydrophobicContact CG1-CE 3.96Å; V154-M158 HydrophobicContact CG1-SD 4.33Å; V154-M158 WeakPolarHBondContact O-CG 3.39Å; V154-M158 PolarHBondContact O-N 3.24Å; V154-L212 HydrophobicContact CG2-CD1 3.97Å; V154-I218 HydrophobicContact CG2-CD1 3.82Å; V154-I218 HydrophobicContact CG2-CG1 4.24Å; V154-I227 HydrophobicContact CG2-CD1 4.33Å |
| 155 | C | 94.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 177.6 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | V151 G152 M158 R159 L336 | V151-C155 PolarHBondContact O-N 3.41Å; V151-C155 PolarHBondContact O-SG 2.94Å; G152-C155 PolarHBondContact O-N 3.01Å; C155-M158 PolarHBondContact O-N 3.42Å; C155-R159 PolarHBondContact O-N 3.44Å; C155-L336 HydrophobicContact CB-CD1 4.09Å |
| 156 | D | 93.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 177 | -79.1 | -28.3 | 0 | 0 | 0 | 112 | G152 V154 R159 Q160 | G152-D156 WeakPolarHBondContact O-CB 3.47Å; G152-D156 PolarHBondContact O-N 3.31Å; V154-D156 VanDerWaalsContact C-N 3.32Å; V154-D156 PolarHBondContact O-N 3.31Å; D156-R159 PolarHBondContact O-N 3.38Å; D156-Q160 PolarHBondContact O-N 2.97Å |
| 157 | S | 94.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | D153 V154 R159 Q160 Q161 G213 | D153-S157 WeakPolarHBondContact O-CB 3.25Å; D153-S157 PolarHBondContact O-N 3.25Å; V154-S157 PolarHBondContact O-N 2.84Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.32Å; S157-Q160 PolarHBondContact O-N 2.99Å; S157-Q161 WeakPolarHBondContact O-CB 3.38Å; S157-Q161 VanDerWaalsContact O-CG 3.25Å; S157-Q161 WeakPolarHBondContact O-CG 3.38Å; S157-Q161 PolarHBondContact O-N 2.92Å; S157-G213 PolarHBondContact OG-N 2.7Å |
| 158 | M | 96.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 35 Ų | 35 | 11% | 0.108 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 178.9 | -70.4 | 178.3 | 165.6 | 0 | 0 | 111.1 | V154 C155 Q160 Q161 L162 L195 M317 L321 L336 | V154-M158 HydrophobicContact CG1-CE 3.96Å; V154-M158 HydrophobicContact CG1-SD 4.33Å; V154-M158 WeakPolarHBondContact O-CG 3.39Å; V154-M158 PolarHBondContact O-N 3.24Å; C155-M158 PolarHBondContact O-N 3.42Å; M158-Q160 VanDerWaalsContact C-N 3.35Å; M158-Q160 PolarHBondContact O-N 2.99Å; M158-Q161 PolarHBondContact O-N 3.46Å; M158-L162 WeakPolarHBondContact O-CG 3.25Å; M158-L162 PolarHBondContact O-N 3.21Å; M158-L195 HydrophobicContact CB-CD1 3.99Å; M158-L195 HydrophobicContact CG-CD1 4.01Å; M158-L195 HydrophobicContact SD-CD1 4.49Å; M158-M317 HydrophobicContact CE-CE 4.33Å; M158-M317 HydrophobicContact CE-CG 3.98Å; M158-M317 HydrophobicContact CE-SD 3.37Å; M158-M317 WeakPolarHBondContact CE-SD 3.3Å; M158-L321 HydrophobicContact CE-CD1 4.18Å; M158-L321 HydrophobicContact SD-CD1 3.89Å; M158-L321 HydrophobicContact SD-CD2 4.24Å; M158-L336 HydrophobicContact CB-CD2 3.54Å |
| 159 | R | 95.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 177.3 | -175.3 | -171.5 | 62.8 | 75.2 | 2.9 | 111.6 | C155 D156 S157 L162 L163 D333 L335 L336 | C155-R159 PolarHBondContact O-N 3.44Å; D156-R159 PolarHBondContact O-N 3.38Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.32Å; R159-L162 PolarHBondContact O-N 3.43Å; R159-L163 PolarHBondContact O-N 2.95Å; R159-D333 VanDerWaalsContact CD-CG 3.45Å; R159-D333 WeakPolarHBondContact CD-OD1 3.38Å; R159-D333 HydrophobicContact CG-CB 4.41Å; R159-L335 HydrophobicContact CG-CD2 4.19Å; R159-L336 HydrophobicContact CB-CD1 4.41Å; R159-L336 HydrophobicContact CB-CG 4.37Å |
| 160 | Q | 95 | Very high | 95.3 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -44 | 177.1 | -174.7 | -177.2 | 5.9 | 0 | 0 | 111.7 | D156 S157 M158 L162 L163 V164 | D156-Q160 PolarHBondContact O-N 2.97Å; S157-Q160 PolarHBondContact O-N 2.99Å; M158-Q160 VanDerWaalsContact C-N 3.35Å; M158-Q160 PolarHBondContact O-N 2.99Å; Q160-L162 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 2.97Å; Q160-L163 WeakPolarHBondContact O-CB 3.43Å; Q160-L163 PolarHBondContact O-N 3.3Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.93Å |
| 161 | Q | 96.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | -179.1 | -66.3 | -56.5 | -80 | 0 | 0 | 112.9 | S157 M158 L163 V164 L165 L195 | S157-Q161 WeakPolarHBondContact O-CB 3.38Å; S157-Q161 VanDerWaalsContact O-CG 3.25Å; S157-Q161 WeakPolarHBondContact O-CG 3.38Å; S157-Q161 PolarHBondContact O-N 2.92Å; M158-Q161 PolarHBondContact O-N 3.46Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-V164 PolarHBondContact O-N 3.24Å; Q161-L165 PolarHBondContact O-N 3.23Å; Q161-L195 HydrophobicContact CB-CD2 3.42Å; Q161-L195 VanDerWaalsContact CB-CD2 3.42Å; Q161-L195 HydrophobicContact CG-CD2 4.48Å |
| 162 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 171.3 | -71.7 | 177.2 | 0 | 0 | 0 | 112.2 | M158 R159 Q160 V164 L165 V166 A191 L195 L335 L336 M339 | M158-L162 WeakPolarHBondContact O-CG 3.25Å; M158-L162 PolarHBondContact O-N 3.21Å; R159-L162 PolarHBondContact O-N 3.43Å; Q160-L162 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 2.97Å; L162-V164 VanDerWaalsContact C-N 3.33Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 3Å; L162-V166 WeakPolarHBondContact O-CG2 3.45Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-V166 VanDerWaalsContact O-N 3.15Å; L162-A191 HydrophobicContact CD2-CB 3.87Å; L162-L195 HydrophobicContact CD2-CD1 4.02Å; L162-L195 HydrophobicContact CD2-CD2 4.13Å; L162-L195 HydrophobicContact CD2-CG 4.04Å; L162-L195 HydrophobicContact CG-CD1 4.24Å; L162-L195 HydrophobicContact CG-CD2 4.18Å; L162-L195 HydrophobicContact CG-CG 4.48Å; L162-L335 HydrophobicContact CB-CD2 3.92Å; L162-L335 HydrophobicContact CB-CG 4.41Å; L162-L335 HydrophobicContact CD1-CD2 4.48Å; L162-L335 HydrophobicContact CD1-CG 4.23Å; L162-L336 HydrophobicContact CD1-CD2 3.71Å; L162-M339 HydrophobicContact CB-SD 3.93Å; L162-M339 HydrophobicContact CD1-CB 4Å; L162-M339 HydrophobicContact CD1-CG 4.46Å; L162-M339 HydrophobicContact CD1-SD 3.9Å; L162-M339 HydrophobicContact CD2-CB 4.47Å; L162-M339 HydrophobicContact CD2-CE 3.94Å; L162-M339 HydrophobicContact CD2-SD 4.02Å; L162-M339 HydrophobicContact CG-SD 4.16Å |
| 163 | L | 95.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 45% | 0.45 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 173.1 | -64.2 | 172.8 | 0 | 0 | 0 | 111.4 | R159 Q160 Q161 L165 V166 E167 L335 | R159-L163 PolarHBondContact O-N 2.95Å; Q160-L163 WeakPolarHBondContact O-CB 3.43Å; Q160-L163 PolarHBondContact O-N 3.3Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.11Å; L163-V166 WeakPolarHBondContact O-CB 3.35Å; L163-V166 PolarHBondContact O-N 3.42Å; L163-E167 PolarHBondContact O-N 3.36Å; L163-E167 VanDerWaalsContact O-N 3.12Å; L163-L335 HydrophobicContact CD2-CD2 3.76Å; L163-L335 HydrophobicContact CG-CD2 3.94Å |
| 164 | V | 96.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -36.4 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | I135 Q160 Q161 L162 V166 E167 W168 | I135-V164 HydrophobicContact CD1-CG1 4.41Å; I135-V164 HydrophobicContact CD1-CG2 4.02Å; I135-V164 HydrophobicContact CG1-CG2 3.77Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.93Å; Q161-V164 PolarHBondContact O-N 3.24Å; L162-V164 VanDerWaalsContact C-N 3.33Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 2.73Å; V164-E167 PolarHBondContact O-N 3.27Å; V164-W168 WeakPolarHBondContact O-CB 3.44Å; V164-W168 PolarHBondContact O-N 3.4Å |
| 165 | L | 97.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 173.4 | 177.3 | 64.7 | 0 | 0 | 0 | 112 | Q161 L162 L163 W168 A169 L187 H194 M339 | Q161-L165 PolarHBondContact O-N 3.23Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 3Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.11Å; L165-W168 HydrophobicContact CD1-CE3 3.63Å; L165-W168 HydrophobicContact CD1-CZ3 3.94Å; L165-W168 PolarHBondContact O-N 2.82Å; L165-A169 PolarHBondContact O-N 3.04Å; L165-L187 HydrophobicContact CG-CD2 4.17Å; L165-H194 HydrophobicContact CD1-CB 3.93Å; L165-H194 HydrophobicContact CD2-CB 3.82Å; L165-H194 HydrophobicContact CG-CB 4.48Å; L165-M339 HydrophobicContact CD2-CE 4.4Å |
| 166 | V | 97.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 21% | 0.212 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | L162 L163 V164 A169 K170 L187 | L162-V166 WeakPolarHBondContact O-CG2 3.45Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-V166 VanDerWaalsContact O-N 3.15Å; L163-V166 WeakPolarHBondContact O-CB 3.35Å; L163-V166 PolarHBondContact O-N 3.42Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 2.73Å; V166-A169 PolarHBondContact O-N 2.86Å; V166-K170 WeakPolarHBondContact O-CG 3.35Å; V166-K170 PolarHBondContact O-N 3.42Å; V166-L187 HydrophobicContact CG2-CD1 4.21Å; V166-L187 HydrophobicContact CG2-CD2 4.09Å |
| 167 | E | 96.3 | Very high | 95.5 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.9 | -66.6 | -56 | 126.6 | 0 | 0 | 112.3 | I134 L163 V164 A169 K170 Y171 | I134-E167 HydrophobicContact CD1-CB 3.44Å; I134-E167 VanDerWaalsContact CD1-CB 3.44Å; I134-E167 HydrophobicContact CD1-CG 3.88Å; L163-E167 PolarHBondContact O-N 3.36Å; L163-E167 VanDerWaalsContact O-N 3.12Å; V164-E167 PolarHBondContact O-N 3.27Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 2.78Å; E167-K170 WeakPolarHBondContact O-CB 3.37Å; E167-K170 PolarHBondContact O-N 2.79Å; E167-K170 IonicContact OE1-NZ 2.76Å; E167-K170 PolarHBondContact OE1-NZ 2.63Å; E167-K170 IonicContact OE2-NZ 3.61Å; E167-Y171 VanDerWaalsContact O-CD2 3.3Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 2.73Å |
| 168 | W | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.4 | -47.2 | 172.8 | 169.2 | 80.1 | 0 | 0 | 0 | 111.8 | V164 L165 K170 Y171 I172 K256 F260 | V164-W168 WeakPolarHBondContact O-CB 3.44Å; V164-W168 PolarHBondContact O-N 3.4Å; L165-W168 HydrophobicContact CD1-CE3 3.63Å; L165-W168 HydrophobicContact CD1-CZ3 3.94Å; L165-W168 PolarHBondContact O-N 2.82Å; W168-K170 VanDerWaalsContact C-N 3.3Å; W168-K170 PolarHBondContact O-N 3.39Å; W168-Y171 PolarHBondContact O-N 3.34Å; W168-Y171 VanDerWaalsContact O-N 3.14Å; W168-I172 HydrophobicContact CD2-CD1 4.36Å; W168-I172 HydrophobicContact CE3-CD1 4.42Å; W168-I172 HydrophobicContact CH2-CD1 3.77Å; W168-I172 HydrophobicContact CZ2-CD1 3.67Å; W168-I172 HydrophobicContact CZ3-CD1 4.15Å; W168-K256 HydrophobicContact CD2-CD 4.19Å; W168-K256 HydrophobicContact CH2-CD 4.15Å; W168-K256 HydrophobicContact CH2-CG 3.86Å; W168-K256 HydrophobicContact CZ2-CB 4.21Å; W168-K256 HydrophobicContact CZ2-CD 3.6Å; W168-K256 HydrophobicContact CZ2-CG 3.69Å; W168-F260 HydrophobicContact CH2-CB 3.84Å; W168-F260 HydrophobicContact CH2-CD1 4.19Å; W168-F260 HydrophobicContact CH2-CD2 4.45Å; W168-F260 AromaticContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CZ3-CB 4.02Å; W168-F260 AromaticContact CZ3-CD1 3.96Å; W168-F260 HydrophobicContact CZ3-CD1 3.96Å; W168-F260 AromaticContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CE1 4.34Å; W168-F260 HydrophobicContact CZ3-CE2 4.16Å; W168-F260 AromaticContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CZ 4.42Å |
| 169 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -38.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L165 V166 E167 Y171 I172 F175 L187 F260 | L165-A169 PolarHBondContact O-N 3.04Å; V166-A169 PolarHBondContact O-N 2.86Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 2.78Å; A169-Y171 PolarHBondContact O-N 2.94Å; A169-I172 WeakPolarHBondContact O-CB 3.36Å; A169-I172 PolarHBondContact O-N 3.03Å; A169-F175 VanDerWaalsContact C-CD1 3.46Å; A169-F175 HydrophobicContact CB-CD1 3.82Å; A169-F175 HydrophobicContact CB-CD2 4.46Å; A169-F175 HydrophobicContact CB-CE1 3.62Å; A169-F175 HydrophobicContact CB-CE2 4.27Å; A169-F175 HydrophobicContact CB-CG 4.22Å; A169-F175 HydrophobicContact CB-CZ 3.84Å; A169-F175 WeakPolarHBondContact O-CD1 3.38Å; A169-L187 HydrophobicContact CB-CD2 4.12Å; A169-F260 HydrophobicContact CB-CE1 4.18Å; A169-F260 HydrophobicContact CB-CE2 4.31Å; A169-F260 HydrophobicContact CB-CZ 3.65Å |
| 170 | K | 95.9 | Very high | 95.6 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -25.7 | 176.9 | -70.2 | 172.6 | -176.8 | 171 | 0 | 113.7 | V166 E167 W168 I172 | V166-K170 WeakPolarHBondContact O-CG 3.35Å; V166-K170 PolarHBondContact O-N 3.42Å; E167-K170 WeakPolarHBondContact O-CB 3.37Å; E167-K170 PolarHBondContact O-N 2.79Å; E167-K170 IonicContact OE1-NZ 2.76Å; E167-K170 PolarHBondContact OE1-NZ 2.63Å; E167-K170 IonicContact OE2-NZ 3.61Å; W168-K170 VanDerWaalsContact C-N 3.3Å; W168-K170 PolarHBondContact O-N 3.39Å; K170-I172 PolarHBondContact O-N 3.28Å |
| 171 | Y | 95.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -5.5 | 175.4 | -65.1 | -47.9 | 0 | 0 | 0 | 113.7 | L130 I134 E167 W168 A169 P173 | L130-Y171 HydrophobicContact CB-CD2 3.76Å; L130-Y171 HydrophobicContact CB-CE2 3.57Å; L130-Y171 HydrophobicContact CB-CG 4.4Å; L130-Y171 HydrophobicContact CD1-CD1 4.07Å; L130-Y171 HydrophobicContact CD1-CD2 4.31Å; L130-Y171 HydrophobicContact CD1-CE1 4.27Å; L130-Y171 HydrophobicContact CD1-CE2 4.49Å; L130-Y171 HydrophobicContact CD1-CG 4.11Å; I134-Y171 HydrophobicContact CD1-CE2 4.47Å; E167-Y171 VanDerWaalsContact O-CD2 3.3Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 2.73Å; W168-Y171 PolarHBondContact O-N 3.34Å; W168-Y171 VanDerWaalsContact O-N 3.14Å; A169-Y171 PolarHBondContact O-N 2.94Å; Y171-P173 WeakPolarHBondContact O-CD 3.5Å |
| 172 | I | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -95 | 109.7 | 175.9 | -54.1 | 175.7 | 0 | 0 | 0 | 108.3 | P119 L124 A127 W168 A169 K170 S174 F175 G176 F261 | P119-I172 HydrophobicContact CG-CG2 3.86Å; L124-I172 HydrophobicContact CD2-CD1 4.16Å; L124-I172 HydrophobicContact CD2-CG1 4.34Å; L124-I172 HydrophobicContact CD2-CG2 4.32Å; A127-I172 HydrophobicContact CB-CG1 4.23Å; W168-I172 HydrophobicContact CD2-CD1 4.36Å; W168-I172 HydrophobicContact CE3-CD1 4.42Å; W168-I172 HydrophobicContact CH2-CD1 3.77Å; W168-I172 HydrophobicContact CZ2-CD1 3.67Å; W168-I172 HydrophobicContact CZ3-CD1 4.15Å; A169-I172 WeakPolarHBondContact O-CB 3.36Å; A169-I172 PolarHBondContact O-N 3.03Å; K170-I172 PolarHBondContact O-N 3.28Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.92Å; I172-F175 HydrophobicContact CB-CB 4.14Å; I172-F175 HydrophobicContact CG2-CB 4.43Å; I172-F175 WeakPolarHBondContact O-CB 3.32Å; I172-F175 PolarHBondContact O-N 2.89Å; I172-G176 PolarHBondContact O-N 3.18Å; I172-F261 HydrophobicContact CG2-CZ 4.1Å |
| 173 | P | 91.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.5 | -44.9 | -172.9 | -28.2 | 35.9 | 0 | 0 | 0 | 113.6 | Y171 F175 G176 E177 | Y171-P173 WeakPolarHBondContact O-CD 3.5Å; P173-F175 PolarHBondContact O-N 3Å; P173-G176 PolarHBondContact O-N 3.18Å; P173-E177 PolarHBondContact O-N 3.33Å |
| 174 | S | 90.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -20.4 | -179 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | I172 M277 | I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.92Å; S174-M277 VanDerWaalsContact CB-CE 3.46Å; S174-M277 WeakPolarHBondContact OG-CE 3.44Å |
| 175 | F | 95.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.3 | -42.2 | 170.8 | 170.2 | -98.3 | 0 | 0 | 0 | 111.4 | A169 I172 P173 E177 L178 Q183 L187 F260 | A169-F175 VanDerWaalsContact C-CD1 3.46Å; A169-F175 HydrophobicContact CB-CD1 3.82Å; A169-F175 HydrophobicContact CB-CD2 4.46Å; A169-F175 HydrophobicContact CB-CE1 3.62Å; A169-F175 HydrophobicContact CB-CE2 4.27Å; A169-F175 HydrophobicContact CB-CG 4.22Å; A169-F175 HydrophobicContact CB-CZ 3.84Å; A169-F175 WeakPolarHBondContact O-CD1 3.38Å; I172-F175 HydrophobicContact CB-CB 4.14Å; I172-F175 HydrophobicContact CG2-CB 4.43Å; I172-F175 WeakPolarHBondContact O-CB 3.32Å; I172-F175 PolarHBondContact O-N 2.89Å; P173-F175 PolarHBondContact O-N 3Å; F175-E177 PolarHBondContact O-N 3.4Å; F175-E177 VanDerWaalsContact O-N 3.16Å; F175-L178 HydrophobicContact CD2-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 PolarHBondContact O-N 3.38Å; F175-Q183 HydrophobicContact CD2-CG 4.15Å; F175-Q183 HydrophobicContact CE1-CB 4.34Å; F175-Q183 HydrophobicContact CE1-CG 4.08Å; F175-Q183 HydrophobicContact CE2-CB 3.63Å; F175-Q183 HydrophobicContact CE2-CG 3.66Å; F175-Q183 HydrophobicContact CZ-CB 3.5Å; F175-Q183 VanDerWaalsContact CZ-CB 3.5Å; F175-Q183 HydrophobicContact CZ-CG 3.63Å; F175-Q183 PolarHBondContact O-NE2 3.48Å; F175-L187 HydrophobicContact CE2-CG 4.5Å; F175-L187 HydrophobicContact CZ-CD1 3.95Å; F175-L187 HydrophobicContact CZ-CG 4.15Å; F175-F260 AromaticContact CD2-CE1 3.51Å; F175-F260 HydrophobicContact CD2-CE1 3.51Å; F175-F260 AromaticContact CD2-CZ 3.67Å; F175-F260 HydrophobicContact CD2-CZ 3.67Å; F175-F260 AromaticContact CE2-CE1 3.86Å; F175-F260 HydrophobicContact CE2-CE1 3.86Å; F175-F260 AromaticContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CE2-CZ 3.49Å; F175-F260 VanDerWaalsContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CG-CE1 4.2Å; F175-F260 HydrophobicContact CG-CZ 4.49Å; F175-F260 HydrophobicContact CZ-CZ 4.21Å |
| 176 | G | 93.8 | Very high | 95.8 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -22.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I172 P173 | I172-G176 PolarHBondContact O-N 3.18Å; P173-G176 PolarHBondContact O-N 3.18Å |
| 177 | E | 93.4 | Very high | 95.8 | Very high | 145 Ų | 145 | 45.9 Ų | 45.9 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10 | 175.8 | -65.7 | 175.2 | -171.4 | 0 | 0 | 114.1 | P173 F175 | P173-E177 PolarHBondContact O-N 3.33Å; F175-E177 PolarHBondContact O-N 3.4Å; F175-E177 VanDerWaalsContact O-N 3.16Å |
| 178 | L | 95.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -75.4 | 151.3 | 178.6 | -62.8 | 176.2 | 0 | 0 | 0 | 111.2 | F175 D182 Q183 L186 K273 I274 M277 | F175-L178 HydrophobicContact CD2-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 PolarHBondContact O-N 3.38Å; L178-D182 HydrophobicContact CB-CB 4.46Å; L178-Q183 HydrophobicContact CB-CG 3.94Å; L178-Q183 PolarHBondContact O-NE2 3.17Å; L178-L186 HydrophobicContact CD1-CD1 3.59Å; L178-K273 HydrophobicContact CD2-CD 4.14Å; L178-I274 HydrophobicContact CD1-CD1 3.79Å; L178-I274 HydrophobicContact CD2-CD1 4Å; L178-M277 HydrophobicContact CD2-SD 4.39Å |
| 179 | P | 97 | Very high | 95.8 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | trans | -53.7 | 143.7 | 168.1 | -24.6 | 35.1 | 0 | 0 | 0 | 111.8 | D181 D182 Q183 | P179-D181 PolarHBondContact O-N 3.25Å; P179-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 WeakPolarHBondContact CD-OD2 3.5Å; P179-D182 WeakPolarHBondContact O-CB 3.22Å; P179-D182 PolarHBondContact O-N 2.9Å; P179-Q183 WeakPolarHBondContact O-CG 3.31Å; P179-Q183 PolarHBondContact O-N 3.41Å | ||
| 180 | L | 96.7 | Very high | 95.8 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 68% | 0.675 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.8 | -37.1 | -178.1 | -69.4 | 175.1 | 0 | 0 | 0 | 113.1 | Q183 V184 | L180-Q183 WeakPolarHBondContact O-CB 3.45Å; L180-Q183 PolarHBondContact O-N 3.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.22Å; L180-V184 PolarHBondContact O-N 2.91Å |
| 181 | D | 96.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.6 | -59.2 | -32.3 | 0 | 0 | 0 | 111.2 | P179 V184 S185 R269 | P179-D181 PolarHBondContact O-N 3.25Å; D181-V184 PolarHBondContact O-N 3.41Å; D181-S185 PolarHBondContact O-N 2.9Å; D181-S185 PolarHBondContact O-OG 3.48Å; D181-R269 IonicContact OD2-CZ 2.73Å; D181-R269 IonicContact OD2-NE 3.42Å; D181-R269 IonicContact OD2-NH2 3.63Å; D181-R269 PolarHBondContact OD2-NH2 2.91Å |
| 182 | D | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.7 | -65.8 | -11.2 | 0 | 0 | 0 | 110.7 | L178 P179 V184 S185 L186 L268 R269 | L178-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 WeakPolarHBondContact CD-OD2 3.5Å; P179-D182 WeakPolarHBondContact O-CB 3.22Å; P179-D182 PolarHBondContact O-N 2.9Å; D182-V184 VanDerWaalsContact C-N 3.33Å; D182-V184 PolarHBondContact O-N 3.29Å; D182-S185 PolarHBondContact O-N 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.48Å; D182-L186 PolarHBondContact O-N 2.91Å; D182-L268 HydrophobicContact CB-CD2 3.87Å; D182-L268 WeakPolarHBondContact OD1-CA 3.35Å; D182-R269 WeakPolarHBondContact OD1-CG 3.4Å; D182-R269 PolarHBondContact OD1-N 3.41Å |
| 183 | Q | 97.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 175 | -69.8 | -176.2 | 26.1 | 0 | 0 | 111.6 | F175 L178 P179 L180 L187 | F175-Q183 HydrophobicContact CD2-CG 4.15Å; F175-Q183 HydrophobicContact CE1-CB 4.34Å; F175-Q183 HydrophobicContact CE1-CG 4.08Å; F175-Q183 HydrophobicContact CE2-CB 3.63Å; F175-Q183 HydrophobicContact CE2-CG 3.66Å; F175-Q183 HydrophobicContact CZ-CB 3.5Å; F175-Q183 VanDerWaalsContact CZ-CB 3.5Å; F175-Q183 HydrophobicContact CZ-CG 3.63Å; F175-Q183 PolarHBondContact O-NE2 3.48Å; L178-Q183 HydrophobicContact CB-CG 3.94Å; L178-Q183 PolarHBondContact O-NE2 3.17Å; P179-Q183 WeakPolarHBondContact O-CG 3.31Å; P179-Q183 PolarHBondContact O-N 3.41Å; L180-Q183 WeakPolarHBondContact O-CB 3.45Å; L180-Q183 PolarHBondContact O-N 3.4Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.16Å |
| 184 | V | 96.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L180 D181 D182 L186 L187 R188 | L180-V184 WeakPolarHBondContact O-CG2 3.22Å; L180-V184 PolarHBondContact O-N 2.91Å; D181-V184 PolarHBondContact O-N 3.41Å; D182-V184 VanDerWaalsContact C-N 3.33Å; D182-V184 PolarHBondContact O-N 3.29Å; V184-L186 PolarHBondContact O-N 3.4Å; V184-L187 PolarHBondContact O-N 3.23Å; V184-R188 HydrophobicContact CG1-CG 4.47Å; V184-R188 WeakPolarHBondContact O-CB 3.4Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 3.05Å |
| 185 | S | 96.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 176.6 | -76.9 | 0 | 0 | 0 | 0 | 112.2 | D181 D182 R188 A189 K266 | D181-S185 PolarHBondContact O-N 2.9Å; D181-S185 PolarHBondContact O-OG 3.48Å; D182-S185 PolarHBondContact O-N 3.32Å; S185-R188 PolarHBondContact O-N 3.12Å; S185-A189 WeakPolarHBondContact O-CB 3.5Å; S185-A189 PolarHBondContact O-N 3.47Å; S185-K266 VanDerWaalsContact CB-O 3.23Å; S185-K266 WeakPolarHBondContact CB-O 3.35Å; S185-K266 PolarHBondContact OG-O 2.91Å |
| 186 | L | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 178.4 | -66.4 | 172.8 | 0 | 0 | 0 | 112.1 | L178 D182 V184 R188 A189 F260 F261 D262 A265 L268 I274 | L178-L186 HydrophobicContact CD1-CD1 3.59Å; D182-L186 WeakPolarHBondContact O-CG 3.48Å; D182-L186 PolarHBondContact O-N 2.91Å; V184-L186 PolarHBondContact O-N 3.4Å; L186-R188 PolarHBondContact O-N 3.33Å; L186-A189 PolarHBondContact O-N 3.05Å; L186-F260 HydrophobicContact CB-CE2 4.32Å; L186-F260 HydrophobicContact CB-CZ 4.16Å; L186-F261 HydrophobicContact CD1-CD1 4.39Å; L186-D262 WeakPolarHBondContact CD2-O 3.48Å; L186-A265 HydrophobicContact CD2-CB 4.17Å; L186-L268 HydrophobicContact CD2-CD1 4.46Å; L186-L268 HydrophobicContact CD2-CD2 4.18Å; L186-L268 HydrophobicContact CG-CD2 4.18Å; L186-I274 HydrophobicContact CD1-CD1 3.99Å; L186-I274 HydrophobicContact CD2-CG2 4.03Å |
| 187 | L | 97.6 | Very high | 97.3 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.7 | -30.3 | 176.6 | -79.2 | 166.4 | 0 | 0 | 0 | 112.9 | L165 V166 A169 F175 Q183 V184 F260 M339 | L165-L187 HydrophobicContact CG-CD2 4.17Å; V166-L187 HydrophobicContact CG2-CD1 4.21Å; V166-L187 HydrophobicContact CG2-CD2 4.09Å; A169-L187 HydrophobicContact CB-CD2 4.12Å; F175-L187 HydrophobicContact CE2-CG 4.5Å; F175-L187 HydrophobicContact CZ-CD1 3.95Å; F175-L187 HydrophobicContact CZ-CG 4.15Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.16Å; V184-L187 PolarHBondContact O-N 3.23Å; L187-F260 HydrophobicContact CD2-CE2 3.92Å; L187-F260 HydrophobicContact CD2-CZ 4.24Å; L187-F260 HydrophobicContact CG-CE2 4.23Å; L187-F260 HydrophobicContact CG-CZ 4.35Å; L187-M339 HydrophobicContact CB-CE 4.23Å; L187-M339 WeakPolarHBondContact O-CE 3.24Å |
| 188 | R | 96.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 31.4 Ų | 31.4 | 42% | 0.415 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -87.2 | -32.6 | 179.2 | -72 | 177.5 | 173.4 | 163.3 | -2.9 | 113.5 | V184 S185 L186 H190 E338 M339 | V184-R188 HydrophobicContact CG1-CG 4.47Å; V184-R188 WeakPolarHBondContact O-CB 3.4Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 3.05Å; S185-R188 PolarHBondContact O-N 3.12Å; L186-R188 PolarHBondContact O-N 3.33Å; R188-H190 PolarHBondContact O-N 3.29Å; R188-E338 IonicContact NH2-OE2 3.6Å; R188-E338 PolarHBondContact NH2-OE2 3.31Å; R188-M339 HydrophobicContact CG-CG 4.48Å |
| 189 | A | 96.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 31% | 0.306 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.3 | -46.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S185 L186 A265 | S185-A189 WeakPolarHBondContact O-CB 3.5Å; S185-A189 PolarHBondContact O-N 3.47Å; L186-A189 PolarHBondContact O-N 3.05Å; A189-A265 HydrophobicContact CB-CB 3.69Å |
| 190 | H | 97.7 | Very high | 97.6 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 35.1 | -174.3 | -64.4 | -62.6 | 0 | 0 | 0 | 113.1 | R188 G192 E193 H194 V259 D262 | R188-H190 PolarHBondContact O-N 3.29Å; H190-G192 PolarHBondContact O-N 2.94Å; H190-E193 VanDerWaalsContact C-OE2 3.24Å; H190-E193 WeakPolarHBondContact CA-OE2 3.45Å; H190-E193 HydrophobicContact CB-CB 4.23Å; H190-E193 HydrophobicContact CB-CG 4.4Å; H190-E193 IonicContact CE1-OE1 2.91Å; H190-E193 IonicContact CG-OE1 2.7Å; H190-E193 IonicContact ND1-OE1 3.96Å; H190-E193 PolarHBondContact ND1-OE1 3.25Å; H190-E193 IonicContact ND1-OE2 3.22Å; H190-E193 PolarHBondContact O-N 2.92Å; H190-H194 PolarHBondContact O-CD2 3.23Å; H190-H194 PolarHBondContact O-N 2.98Å; H190-H194 VanDerWaalsContact O-N 3.12Å; H190-V259 HydrophobicContact CB-CG1 3.62Å; H190-V259 PolarHBondContact CD2-O 3.35Å; H190-V259 VanDerWaalsContact CD2-O 3.27Å; H190-D262 WeakPolarHBondContact NE2-CB 3.41Å; H190-D262 IonicContact NE2-OD2 2.82Å; H190-D262 PolarHBondContact NE2-OD2 3.48Å |
| 191 | A | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59 | -36.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L162 H194 L195 M339 L340 | L162-A191 HydrophobicContact CD2-CB 3.87Å; A191-H194 PolarHBondContact O-N 2.82Å; A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.27Å; A191-M339 HydrophobicContact CB-CB 4.04Å; A191-M339 HydrophobicContact CB-CE 4.1Å; A191-M339 WeakPolarHBondContact CB-O 3.45Å; A191-L340 HydrophobicContact CB-CD2 3.78Å |
| 192 | G | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H190 H194 L195 L196 | H190-G192 PolarHBondContact O-N 2.94Å; G192-H194 VanDerWaalsContact C-N 3.29Å; G192-H194 PolarHBondContact O-N 3.13Å; G192-L195 WeakPolarHBondContact O-CB 3.47Å; G192-L195 PolarHBondContact O-N 3.3Å; G192-L195 VanDerWaalsContact O-N 3.16Å; G192-L196 PolarHBondContact O-N 3.44Å |
| 193 | E | 98.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.075 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -40 | 176.3 | -67.9 | 89.1 | 149.2 | 0 | 0 | 110.8 | H190 L196 L197 V259 L310 Q311 T314 | H190-E193 VanDerWaalsContact C-OE2 3.24Å; H190-E193 WeakPolarHBondContact CA-OE2 3.45Å; H190-E193 HydrophobicContact CB-CB 4.23Å; H190-E193 HydrophobicContact CB-CG 4.4Å; H190-E193 IonicContact CE1-OE1 2.91Å; H190-E193 IonicContact CG-OE1 2.7Å; H190-E193 IonicContact ND1-OE1 3.96Å; H190-E193 PolarHBondContact ND1-OE1 3.25Å; H190-E193 IonicContact ND1-OE2 3.22Å; H190-E193 PolarHBondContact O-N 2.92Å; E193-L196 PolarHBondContact O-N 3.15Å; E193-L197 WeakPolarHBondContact O-CB 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.23Å; E193-L197 PolarHBondContact O-N 2.93Å; E193-V259 HydrophobicContact CB-CG1 3.89Å; E193-L310 HydrophobicContact CB-CD1 4.43Å; E193-L310 HydrophobicContact CB-CD2 3.87Å; E193-L310 HydrophobicContact CB-CG 3.97Å; E193-L310 HydrophobicContact CG-CD2 4.24Å; E193-L310 HydrophobicContact CG-CG 4.01Å; E193-Q311 HydrophobicContact CG-CG 4.34Å; E193-T314 HydrophobicContact CG-CG2 4.25Å |
| 194 | H | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.046 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 174.8 | -75.5 | -62.6 | 0 | 0 | 0 | 113.3 | L165 H190 A191 G192 G198 K256 F260 | L165-H194 HydrophobicContact CD1-CB 3.93Å; L165-H194 HydrophobicContact CD2-CB 3.82Å; L165-H194 HydrophobicContact CG-CB 4.48Å; H190-H194 PolarHBondContact O-CD2 3.23Å; H190-H194 PolarHBondContact O-N 2.98Å; H190-H194 VanDerWaalsContact O-N 3.12Å; A191-H194 PolarHBondContact O-N 2.82Å; G192-H194 VanDerWaalsContact C-N 3.29Å; G192-H194 PolarHBondContact O-N 3.13Å; H194-G198 PolarHBondContact O-N 3.5Å; H194-K256 PolarHBondContact CE1-O 3.4Å; H194-K256 VanDerWaalsContact CE1-O 3.28Å; H194-F260 AromaticContact NE2-CD2 3.51Å |
| 195 | L | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 25.4 Ų | 25.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.2 | -69 | 173.8 | 0 | 0 | 0 | 111.1 | M158 Q161 L162 A191 G192 G198 V199 L340 | M158-L195 HydrophobicContact CB-CD1 3.99Å; M158-L195 HydrophobicContact CG-CD1 4.01Å; M158-L195 HydrophobicContact SD-CD1 4.49Å; Q161-L195 HydrophobicContact CB-CD2 3.42Å; Q161-L195 VanDerWaalsContact CB-CD2 3.42Å; Q161-L195 HydrophobicContact CG-CD2 4.48Å; L162-L195 HydrophobicContact CD2-CD1 4.02Å; L162-L195 HydrophobicContact CD2-CD2 4.13Å; L162-L195 HydrophobicContact CD2-CG 4.04Å; L162-L195 HydrophobicContact CG-CD1 4.24Å; L162-L195 HydrophobicContact CG-CD2 4.18Å; L162-L195 HydrophobicContact CG-CG 4.48Å; A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.27Å; G192-L195 WeakPolarHBondContact O-CB 3.47Å; G192-L195 PolarHBondContact O-N 3.3Å; G192-L195 VanDerWaalsContact O-N 3.16Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 PolarHBondContact O-N 3.29Å; L195-L340 HydrophobicContact CD1-CD1 3.89Å; L195-L340 HydrophobicContact CD1-CD2 4.1Å |
| 196 | L | 98.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 179.6 | -68.9 | -159.6 | 0 | 0 | 0 | 112.7 | G192 E193 G198 V199 A200 I234 L238 L310 I313 T314 M317 | G192-L196 PolarHBondContact O-N 3.44Å; E193-L196 PolarHBondContact O-N 3.15Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 3.1Å; L196-V199 HydrophobicContact CD2-CG1 4.35Å; L196-V199 VanDerWaalsContact O-CG1 3.32Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 2.76Å; L196-A200 VanDerWaalsContact O-CB 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 2.77Å; L196-I234 HydrophobicContact CD2-CD1 3.57Å; L196-I234 HydrophobicContact CD2-CG1 4.21Å; L196-L238 HydrophobicContact CB-CD1 4.38Å; L196-L310 HydrophobicContact CB-CD1 3.64Å; L196-I313 HydrophobicContact CD1-CB 3.84Å; L196-I313 HydrophobicContact CD1-CG2 3.53Å; L196-T314 WeakPolarHBondContact CD1-OG1 3.4Å; L196-M317 HydrophobicContact CD2-SD 3.51Å; L196-M317 VanDerWaalsContact CD2-SD 3.51Å; L196-M317 HydrophobicContact CG-SD 4.06Å |
| 197 | L | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 172.6 | -79.3 | 174.6 | 0 | 0 | 0 | 111.7 | E193 K201 F242 Y252 V259 L310 | E193-L197 WeakPolarHBondContact O-CB 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.23Å; E193-L197 PolarHBondContact O-N 2.93Å; L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 PolarHBondContact O-N 3.5Å; L197-F242 HydrophobicContact CD2-CZ 3.71Å; L197-Y252 HydrophobicContact CB-CE2 4.16Å; L197-Y252 PolarHBondContact O-OH 3.42Å; L197-V259 HydrophobicContact CD1-CG2 4.24Å; L197-L310 HydrophobicContact CD1-CD2 3.69Å; L197-L310 HydrophobicContact CD2-CD1 4.29Å; L197-L310 HydrophobicContact CD2-CD2 3.83Å; L197-L310 HydrophobicContact CG-CD1 3.97Å; L197-L310 HydrophobicContact CG-CD2 3.54Å; L197-L310 HydrophobicContact CG-CG 4.4Å |
| 198 | G | 97.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H194 L195 L196 R202 Y252 | H194-G198 PolarHBondContact O-N 3.5Å; L195-G198 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 3.1Å; G198-R202 VanDerWaalsContact O-CB 3.29Å; G198-R202 WeakPolarHBondContact O-CB 3.39Å; G198-R202 PolarHBondContact O-N 2.97Å; G198-Y252 WeakPolarHBondContact CA-OH 3.15Å |
| 199 | V | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | 177.8 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | L195 L196 S203 L210 L212 I234 | L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 PolarHBondContact O-N 3.29Å; L196-V199 HydrophobicContact CD2-CG1 4.35Å; L196-V199 VanDerWaalsContact O-CG1 3.32Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 2.76Å; V199-S203 WeakPolarHBondContact O-CB 3.27Å; V199-S203 PolarHBondContact O-N 3.38Å; V199-S203 PolarHBondContact O-OG 3.38Å; V199-L210 HydrophobicContact CG2-CB 4.02Å; V199-L212 HydrophobicContact CG2-CD2 4.26Å; V199-I234 HydrophobicContact CG1-CD1 4.48Å; V199-I234 HydrophobicContact CG1-CG2 4.32Å |
| 200 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -51.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L196 R202 S203 M204 I234 L238 V239 F242 | L196-A200 VanDerWaalsContact O-CB 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 2.77Å; A200-R202 PolarHBondContact O-N 2.89Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 VanDerWaalsContact O-N 3.1Å; A200-M204 PolarHBondContact O-N 3.15Å; A200-I234 HydrophobicContact CB-CG2 4.31Å; A200-L238 HydrophobicContact CB-CB 3.89Å; A200-L238 HydrophobicContact CB-CD1 4.46Å; A200-V239 HydrophobicContact CB-CG2 4.07Å; A200-F242 HydrophobicContact CB-CE2 4.37Å |
| 201 | K | 97 | Very high | 96.3 | Very high | 35 Ų | 35 | 31 Ų | 31 | 15% | 0.152 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 177.8 | 179.3 | 55.7 | 170.8 | 171.8 | 0 | 112.2 | L197 S203 M204 F242 I247 D249 Y252 | L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 PolarHBondContact O-N 3.5Å; K201-S203 PolarHBondContact O-N 3.31Å; K201-M204 HydrophobicContact CD-SD 3.52Å; K201-M204 VanDerWaalsContact CD-SD 3.52Å; K201-M204 WeakPolarHBondContact O-CG 3.34Å; K201-M204 PolarHBondContact O-N 3.06Å; K201-F242 HydrophobicContact CB-CD2 4.49Å; K201-F242 HydrophobicContact CB-CE2 4.18Å; K201-I247 PolarHBondContact NZ-O 2.99Å; K201-D249 WeakPolarHBondContact CE-OD1 3.47Å; K201-D249 IonicContact NZ-OD1 3Å; K201-D249 PolarHBondContact NZ-OD1 3.22Å; K201-Y252 HydrophobicContact CB-CD2 3.93Å; K201-Y252 HydrophobicContact CB-CE1 4.47Å; K201-Y252 HydrophobicContact CB-CE2 3.5Å; K201-Y252 VanDerWaalsContact CB-CE2 3.5Å; K201-Y252 HydrophobicContact CD-CD2 4.2Å; K201-Y252 HydrophobicContact CD-CG 4.22Å; K201-Y252 HydrophobicContact CG-CD1 4.18Å; K201-Y252 HydrophobicContact CG-CD2 3.93Å; K201-Y252 HydrophobicContact CG-CE1 4.12Å; K201-Y252 HydrophobicContact CG-CE2 3.86Å; K201-Y252 HydrophobicContact CG-CG 4.08Å |
| 202 | R | 95.2 | Very high | 96.1 | Very high | 62 Ų | 62 | 31.5 Ų | 31.5 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -26.7 | 177.9 | -175.8 | 170.6 | 57.8 | -103.6 | -7.7 | 113.1 | G198 A200 P205 L211 | G198-R202 VanDerWaalsContact O-CB 3.29Å; G198-R202 WeakPolarHBondContact O-CB 3.39Å; G198-R202 PolarHBondContact O-N 2.97Å; A200-R202 PolarHBondContact O-N 2.89Å; R202-P205 WeakPolarHBondContact O-CD 3.46Å; R202-L211 HydrophobicContact CG-CB 4.5Å; R202-L211 HydrophobicContact CG-CD2 4.13Å; R202-L211 HydrophobicContact CG-CG 4.41Å; R202-L211 VanDerWaalsContact CZ-O 3.28Å; R202-L211 PolarHBondContact NE-O 3.22Å; R202-L211 PolarHBondContact NH2-O 3.32Å |
| 203 | S | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -90.5 | -7 | -177.7 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | V199 A200 K201 P205 F206 L210 L211 | V199-S203 WeakPolarHBondContact O-CB 3.27Å; V199-S203 PolarHBondContact O-N 3.38Å; V199-S203 PolarHBondContact O-OG 3.38Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 VanDerWaalsContact O-N 3.1Å; K201-S203 PolarHBondContact O-N 3.31Å; S203-P205 VanDerWaalsContact C-N 3.3Å; S203-P205 VanDerWaalsContact O-N 3.17Å; S203-F206 PolarHBondContact O-N 3.25Å; S203-L210 WeakPolarHBondContact OG-CA 3.47Å; S203-L211 PolarHBondContact OG-N 3.13Å |
| 204 | M | 95.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -34.7 | 178.7 | -71.5 | 179.2 | 67 | 0 | 0 | 115.5 | A200 K201 F206 F242 Q243 I247 | A200-M204 PolarHBondContact O-N 3.15Å; K201-M204 HydrophobicContact CD-SD 3.52Å; K201-M204 VanDerWaalsContact CD-SD 3.52Å; K201-M204 WeakPolarHBondContact O-CG 3.34Å; K201-M204 PolarHBondContact O-N 3.06Å; M204-F206 PolarHBondContact O-N 3.33Å; M204-F242 HydrophobicContact CE-CB 3.99Å; M204-F242 WeakPolarHBondContact CE-O 3.48Å; M204-F242 HydrophobicContact CG-CB 3.99Å; M204-F242 HydrophobicContact CG-CD2 4.26Å; M204-F242 HydrophobicContact SD-CB 3.8Å; M204-F242 HydrophobicContact SD-CD2 3.81Å; M204-F242 HydrophobicContact SD-CG 4.32Å; M204-Q243 HydrophobicContact CB-CG 4.46Å; M204-Q243 PolarHBondContact O-NE2 2.85Å; M204-I247 HydrophobicContact CE-CG2 3.98Å; M204-I247 HydrophobicContact SD-CG2 3.89Å |
| 205 | P | 94.1 | Very high | 95 | Very high | 105 Ų | 105 | 33.6 Ų | 33.6 | 68% | 0.682 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.9 | 178.6 | -20.2 | 35.1 | 0 | 0 | 0 | 114.5 | R202 S203 | R202-P205 WeakPolarHBondContact O-CD 3.46Å; S203-P205 VanDerWaalsContact C-N 3.3Å; S203-P205 VanDerWaalsContact O-N 3.17Å |
| 206 | F | 92.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | trans | -111.9 | 162.5 | -170.3 | -52.1 | -71.3 | 0 | 0 | 0 | 111.7 | S203 M204 F209 L211 | S203-F206 PolarHBondContact O-N 3.25Å; M204-F206 PolarHBondContact O-N 3.33Å; F206-F209 HydrophobicContact CB-CD2 4.2Å; F206-F209 HydrophobicContact CB-CE1 3.96Å; F206-F209 HydrophobicContact CB-CE2 3.6Å; F206-F209 HydrophobicContact CB-CZ 3.49Å; F206-F209 VanDerWaalsContact CB-CZ 3.49Å; F206-F209 HydrophobicContact CD1-CE1 4.4Å; F206-F209 AromaticContact CD1-CE2 3.81Å; F206-F209 HydrophobicContact CD1-CE2 3.81Å; F206-F209 AromaticContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD1-CZ 3.42Å; F206-F209 VanDerWaalsContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD2-CE2 4.09Å; F206-F209 HydrophobicContact CD2-CZ 4.48Å; F206-F209 HydrophobicContact CE1-CZ 4.28Å; F206-F209 HydrophobicContact CG-CE1 4.45Å; F206-F209 AromaticContact CG-CE2 3.55Å; F206-F209 HydrophobicContact CG-CE2 3.55Å; F206-F209 AromaticContact CG-CZ 3.53Å; F206-F209 HydrophobicContact CG-CZ 3.53Å; F206-L211 HydrophobicContact CD2-CB 4.25Å; F206-L211 HydrophobicContact CE2-CB 4.09Å; F206-L211 HydrophobicContact CE2-CD2 3.56Å; F206-L211 HydrophobicContact CE2-CG 4.44Å; F206-L211 HydrophobicContact CZ-CD2 3.95Å | ||
| 207 | K | 90.3 | Very high | 94.5 | Very high | 161 Ų | 161 | 33.2 Ų | 33.2 | 70% | 0.7 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -122.1 | 137.4 | 179.5 | -165.4 | -172.9 | 172.7 | 178.5 | 0 | 110 | F209 | K207-F209 WeakPolarHBondContact O-CD1 3.34Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-F209 VanDerWaalsContact O-N 3.09Å |
| 208 | D | 91.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 34 Ų | 34 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 63 | 10.6 | 172.9 | -60.2 | -49.6 | 0 | 0 | 0 | 116.2 | R220 | D208-R220 WeakPolarHBondContact O-CB 3.41Å; D208-R220 PolarHBondContact O-N 2.75Å |
| 209 | F | 94.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.6 | 170.6 | 66.5 | -95.9 | 0 | 0 | 0 | 112.6 | V143 F206 K207 V217 I218 | V143-F209 HydrophobicContact CG1-CE1 3.67Å; V143-F209 HydrophobicContact CG1-CZ 3.9Å; V143-F209 HydrophobicContact CG2-CZ 4.23Å; F206-F209 HydrophobicContact CB-CD2 4.2Å; F206-F209 HydrophobicContact CB-CE1 3.96Å; F206-F209 HydrophobicContact CB-CE2 3.6Å; F206-F209 HydrophobicContact CB-CZ 3.49Å; F206-F209 VanDerWaalsContact CB-CZ 3.49Å; F206-F209 HydrophobicContact CD1-CE1 4.4Å; F206-F209 AromaticContact CD1-CE2 3.81Å; F206-F209 HydrophobicContact CD1-CE2 3.81Å; F206-F209 AromaticContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD1-CZ 3.42Å; F206-F209 VanDerWaalsContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD2-CE2 4.09Å; F206-F209 HydrophobicContact CD2-CZ 4.48Å; F206-F209 HydrophobicContact CE1-CZ 4.28Å; F206-F209 HydrophobicContact CG-CE1 4.45Å; F206-F209 AromaticContact CG-CE2 3.55Å; F206-F209 HydrophobicContact CG-CE2 3.55Å; F206-F209 AromaticContact CG-CZ 3.53Å; F206-F209 HydrophobicContact CG-CZ 3.53Å; K207-F209 WeakPolarHBondContact O-CD1 3.34Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-F209 VanDerWaalsContact O-N 3.09Å; F209-V217 HydrophobicContact CD2-CB 4.06Å; F209-V217 HydrophobicContact CD2-CG1 3.59Å; F209-V217 HydrophobicContact CE2-CG1 3.83Å; F209-V217 HydrophobicContact CG-CG1 4.5Å; F209-I218 CarbonylContact C-O 3.53Å; F209-I218 VanDerWaalsContact CA-O 3.27Å; F209-I218 WeakPolarHBondContact CA-O 3.46Å; F209-I218 WeakPolarHBondContact CB-O 3.46Å |
| 210 | L | 96.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.8 | 173.3 | -60.7 | 175.4 | 0 | 0 | 0 | 110.5 | V199 S203 V217 I218 A231 I234 L235 V239 | V199-L210 HydrophobicContact CG2-CB 4.02Å; S203-L210 WeakPolarHBondContact OG-CA 3.47Å; L210-V217 VanDerWaalsContact O-CA 3.26Å; L210-V217 WeakPolarHBondContact O-CA 3.45Å; L210-I218 HydrophobicContact CB-CB 4.35Å; L210-I218 PolarHBondContact N-O 3.04Å; L210-I218 PolarHBondContact O-N 2.92Å; L210-A231 HydrophobicContact CD1-CB 3.71Å; L210-I234 HydrophobicContact CD1-CB 3.99Å; L210-I234 HydrophobicContact CD1-CD1 3.83Å; L210-I234 HydrophobicContact CD1-CG2 3.97Å; L210-I234 HydrophobicContact CD2-CB 4.35Å; L210-I234 HydrophobicContact CD2-CG2 3.7Å; L210-L235 HydrophobicContact CD2-CD2 3.61Å; L210-L235 HydrophobicContact CD2-CG 3.87Å; L210-L235 HydrophobicContact CG-CD2 4.2Å; L210-L235 HydrophobicContact CG-CG 4.17Å; L210-V239 HydrophobicContact CD2-CG2 4.04Å |
| 211 | L | 94.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.4 | 174.8 | -179.5 | 62.5 | 0 | 0 | 0 | 110.6 | V138 R202 S203 F206 V217 | V138-L211 HydrophobicContact CG1-CD1 4.34Å; V138-L211 HydrophobicContact CG1-CD2 4.38Å; R202-L211 HydrophobicContact CG-CB 4.5Å; R202-L211 HydrophobicContact CG-CD2 4.13Å; R202-L211 HydrophobicContact CG-CG 4.41Å; R202-L211 VanDerWaalsContact CZ-O 3.28Å; R202-L211 PolarHBondContact NE-O 3.22Å; R202-L211 PolarHBondContact NH2-O 3.32Å; S203-L211 PolarHBondContact OG-N 3.13Å; F206-L211 HydrophobicContact CD2-CB 4.25Å; F206-L211 HydrophobicContact CE2-CB 4.09Å; F206-L211 HydrophobicContact CE2-CD2 3.56Å; F206-L211 HydrophobicContact CE2-CG 4.44Å; F206-L211 HydrophobicContact CZ-CD2 3.95Å; L211-V217 HydrophobicContact CD1-CG1 4.01Å |
| 212 | L | 94.9 | Very high | 93 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 163.3 | 178.1 | -59.6 | -175.4 | 0 | 0 | 0 | 112.3 | A149 V154 V199 N214 G215 C216 I218 | A149-L212 HydrophobicContact CB-CD1 3.64Å; V154-L212 HydrophobicContact CG2-CD1 3.97Å; V199-L212 HydrophobicContact CG2-CD2 4.26Å; L212-N214 VanDerWaalsContact CB-OD1 3.25Å; L212-N214 WeakPolarHBondContact CB-OD1 3.29Å; L212-N214 PolarHBondContact O-N 3.42Å; L212-G215 PolarHBondContact O-N 2.95Å; L212-G215 VanDerWaalsContact O-N 3.12Å; L212-C216 VanDerWaalsContact CB-O 3.27Å; L212-C216 WeakPolarHBondContact CB-O 3.44Å; L212-C216 HydrophobicContact CD1-CB 4.22Å; L212-C216 WeakPolarHBondContact CG-O 3.27Å; L212-C216 PolarHBondContact N-O 3.37Å; L212-I218 HydrophobicContact CD1-CD1 4.28Å; L212-I218 HydrophobicContact CD1-CG1 4.11Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CD2-CG1 4.21Å; L212-I218 HydrophobicContact CG-CD1 4.41Å; L212-I218 HydrophobicContact CG-CG1 4.28Å |
| 213 | G | 91.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I135 S157 | I135-G213 WeakPolarHBondContact CG2-O 3.34Å; S157-G213 PolarHBondContact OG-N 2.7Å |
| 214 | N | 91.2 | Very high | 92.1 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 8.1 | 174.2 | 63 | 0 | 0 | 0 | 0 | 113.3 | D153 L212 C216 | D153-N214 PolarHBondContact O-ND2 3.04Å; L212-N214 VanDerWaalsContact CB-OD1 3.25Å; L212-N214 WeakPolarHBondContact CB-OD1 3.29Å; L212-N214 PolarHBondContact O-N 3.42Å; N214-C216 VanDerWaalsContact C-N 3.33Å; N214-C216 PolarHBondContact O-N 3.08Å; N214-C216 PolarHBondContact OD1-N 3.44Å |
| 215 | G | 89.8 | Confident | 91.6 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 82.1 | -2.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V146 L212 | V146-G215 WeakPolarHBondContact CG1-O 3.29Å; L212-G215 PolarHBondContact O-N 2.95Å; L212-G215 VanDerWaalsContact O-N 3.12Å |
| 216 | C | 92.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.081 | 27% | 0.273 | C | S | . | . | trans | -75.6 | 162.4 | 170.4 | -64 | 0 | 0 | 0 | 0 | 111.1 | K147 A149 D153 L212 N214 | K147-C216 WeakPolarHBondContact O-CA 3.43Å; A149-C216 HydrophobicContact CB-CB 3.82Å; D153-C216 HydrophobicContact CB-CB 4.48Å; L212-C216 VanDerWaalsContact CB-O 3.27Å; L212-C216 WeakPolarHBondContact CB-O 3.44Å; L212-C216 HydrophobicContact CD1-CB 4.22Å; L212-C216 WeakPolarHBondContact CG-O 3.27Å; L212-C216 PolarHBondContact N-O 3.37Å; N214-C216 VanDerWaalsContact C-N 3.33Å; N214-C216 PolarHBondContact O-N 3.08Å; N214-C216 PolarHBondContact OD1-N 3.44Å | ||
| 217 | V | 93.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.1 | 179 | -70 | 0 | 0 | 0 | 0 | 113.4 | V146 K147 S148 A149 F209 L210 L211 H219 | V146-V217 HydrophobicContact CB-CG1 4.07Å; V146-V217 HydrophobicContact CB-CG2 3.99Å; V146-V217 HydrophobicContact CG1-CB 4.15Å; V146-V217 HydrophobicContact CG1-CG1 3.39Å; V146-V217 HydrophobicContact CG1-CG2 3.85Å; K147-V217 PolarHBondContact O-N 2.96Å; S148-V217 WeakPolarHBondContact CA-O 3.36Å; A149-V217 WeakPolarHBondContact CB-O 3.4Å; A149-V217 PolarHBondContact N-O 3.28Å; F209-V217 HydrophobicContact CD2-CB 4.06Å; F209-V217 HydrophobicContact CD2-CG1 3.59Å; F209-V217 HydrophobicContact CE2-CG1 3.83Å; F209-V217 HydrophobicContact CG-CG1 4.5Å; L210-V217 VanDerWaalsContact O-CA 3.26Å; L210-V217 WeakPolarHBondContact O-CA 3.45Å; L211-V217 HydrophobicContact CD1-CG1 4.01Å; V217-H219 WeakPolarHBondContact CG2-NE2 3.47Å |
| 218 | I | 95.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 106.7 | 167.5 | -54.4 | 173.2 | 0 | 0 | 0 | 107.4 | A149 V154 F209 L210 L212 I227 A231 | A149-I218 HydrophobicContact CB-CG1 4.1Å; V154-I218 HydrophobicContact CG2-CD1 3.82Å; V154-I218 HydrophobicContact CG2-CG1 4.24Å; F209-I218 CarbonylContact C-O 3.53Å; F209-I218 VanDerWaalsContact CA-O 3.27Å; F209-I218 WeakPolarHBondContact CA-O 3.46Å; F209-I218 WeakPolarHBondContact CB-O 3.46Å; L210-I218 HydrophobicContact CB-CB 4.35Å; L210-I218 PolarHBondContact N-O 3.04Å; L210-I218 PolarHBondContact O-N 2.92Å; L212-I218 HydrophobicContact CD1-CD1 4.28Å; L212-I218 HydrophobicContact CD1-CG1 4.11Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CD2-CG1 4.21Å; L212-I218 HydrophobicContact CG-CD1 4.41Å; L212-I218 HydrophobicContact CG-CG1 4.28Å; I218-I227 HydrophobicContact CD1-CG2 3.89Å; I218-I227 HydrophobicContact CG1-CG2 4.38Å; I218-I227 HydrophobicContact CG2-CG2 3.68Å; I218-A231 HydrophobicContact CB-CB 4.49Å; I218-A231 HydrophobicContact CG2-CB 3.62Å |
| 219 | H | 93.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 45 Ų | 45 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.1 | 172.7 | -65 | -79.5 | 0 | 0 | 0 | 110.6 | S148 V217 N221 G222 | S148-H219 PolarHBondContact OG-CD2 3.33Å; V217-H219 WeakPolarHBondContact CG2-NE2 3.47Å; H219-N221 PolarHBondContact O-N 2.64Å; H219-G222 PolarHBondContact O-N 3.39Å |
| 220 | R | 93.2 | Very high | 91.4 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -41.7 | 174.2 | -171.7 | -178.6 | -171.6 | 96.9 | 7.8 | 112.4 | D208 C228 L235 D236 | D208-R220 WeakPolarHBondContact O-CB 3.41Å; D208-R220 PolarHBondContact O-N 2.75Å; R220-C228 WeakPolarHBondContact O-CB 3.26Å; R220-L235 HydrophobicContact CB-CD1 3.95Å; R220-L235 HydrophobicContact CG-CD1 4.22Å; R220-D236 IonicContact CZ-OD1 3.77Å; R220-D236 VanDerWaalsContact CZ-OD1 3.27Å; R220-D236 IonicContact CZ-OD2 3.73Å; R220-D236 IonicContact NH1-OD1 2.82Å; R220-D236 PolarHBondContact NH1-OD1 3.28Å; R220-D236 IonicContact NH1-OD2 2.79Å; R220-D236 IonicContact NH2-OD1 3.75Å; R220-D236 PolarHBondContact NH2-OD1 3.22Å; R220-D236 IonicContact NH2-OD2 2.78Å; R220-D236 PolarHBondContact NH2-OD2 2.95Å |
| 221 | N | 89 | Confident | 91.4 | Very high | 147 Ų | 147 | 44.8 Ų | 44.8 | 79% | 0.786 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 71.3 | 178.6 | -60 | -32.3 | 0 | 0 | 0 | 109.5 | H219 | H219-N221 PolarHBondContact O-N 2.64Š|
| 222 | G | 86.8 | Confident | 91.5 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -95.9 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H219 E224 C228 | H219-G222 PolarHBondContact O-N 3.39Å; G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.32Å; G222-C228 WeakPolarHBondContact CA-SG 3.47Å; G222-C228 PolarHBondContact N-SG 2.83Å | ||
| 223 | P | 85.4 | Confident | 91.7 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 73% | 0.734 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -73.6 | -17.7 | -179.7 | 29.7 | -34.8 | 0 | 0 | 0 | 114.1 | P225 | P223-P225 VanDerWaalsContact O-CD 3.29Å; P223-P225 WeakPolarHBondContact O-CD 3.39Å |
| 224 | E | 86.9 | Confident | 92 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | trans | -103 | 93.3 | -176.8 | -65.3 | -66.7 | 165.8 | 0 | 0 | 110.6 | G222 E226 I227 C228 | G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.32Å; E224-E226 VanDerWaalsContact C-N 3.35Å; E224-E226 PolarHBondContact O-N 3.49Å; E224-I227 HydrophobicContact CB-CB 4.13Å; E224-I227 HydrophobicContact CB-CD1 4.11Å; E224-I227 HydrophobicContact CB-CG1 4.32Å; E224-I227 HydrophobicContact CG-CD1 4.42Å; E224-I227 PolarHBondContact O-N 3.26Å; E224-C228 PolarHBondContact O-N 3.06Å; E224-C228 PolarHBondContact O-SG 2.97Å | ||
| 225 | P | 86.8 | Confident | 92.4 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -31.2 | -168 | 23.9 | -30.4 | 0 | 0 | 0 | 113.7 | P223 C228 R229 | P223-P225 VanDerWaalsContact O-CD 3.29Å; P223-P225 WeakPolarHBondContact O-CD 3.39Å; P225-C228 PolarHBondContact O-N 2.91Å; P225-R229 WeakPolarHBondContact O-CG 3.15Å; P225-R229 PolarHBondContact O-N 2.89Å; P225-R229 PolarHBondContact O-NE 3.12Å |
| 226 | E | 85.4 | Confident | 92.8 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.2 | -70.5 | 59 | -128.7 | 0 | 0 | 111.2 | E224 R229 | E224-E226 VanDerWaalsContact C-N 3.35Å; E224-E226 PolarHBondContact O-N 3.49Å; E226-R229 IonicContact OE1-NH2 2.67Å; E226-R229 PolarHBondContact OE1-NH2 2.93Å |
| 227 | I | 89.7 | Confident | 93.1 | Very high | 26 Ų | 26 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.1 | -43.1 | 177.9 | -65.9 | 177.1 | 0 | 0 | 0 | 110 | V151 V154 I218 E224 R229 V230 A231 | V151-I227 HydrophobicContact CB-CD1 4.28Å; V151-I227 HydrophobicContact CG2-CD1 3.75Å; V154-I227 HydrophobicContact CG2-CD1 4.33Å; I218-I227 HydrophobicContact CD1-CG2 3.89Å; I218-I227 HydrophobicContact CG1-CG2 4.38Å; I218-I227 HydrophobicContact CG2-CG2 3.68Å; E224-I227 HydrophobicContact CB-CB 4.13Å; E224-I227 HydrophobicContact CB-CD1 4.11Å; E224-I227 HydrophobicContact CB-CG1 4.32Å; E224-I227 HydrophobicContact CG-CD1 4.42Å; E224-I227 PolarHBondContact O-N 3.26Å; I227-R229 VanDerWaalsContact C-N 3.26Å; I227-R229 PolarHBondContact O-N 3.23Å; I227-V230 PolarHBondContact O-N 3.47Å; I227-A231 WeakPolarHBondContact O-CB 3.34Å; I227-A231 PolarHBondContact O-N 3.31Å |
| 228 | C | 92.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -33.4 | -179.4 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | R220 G222 E224 P225 A231 S232 | R220-C228 WeakPolarHBondContact O-CB 3.26Å; G222-C228 WeakPolarHBondContact CA-SG 3.47Å; G222-C228 PolarHBondContact N-SG 2.83Å; E224-C228 PolarHBondContact O-N 3.06Å; E224-C228 PolarHBondContact O-SG 2.97Å; P225-C228 PolarHBondContact O-N 2.91Å; C228-A231 PolarHBondContact O-N 3.32Å; C228-S232 WeakPolarHBondContact O-CB 3.24Å; C228-S232 PolarHBondContact O-N 3.44Å; C228-S232 PolarHBondContact O-OG 3.45Å |
| 229 | R | 93.9 | Very high | 93.5 | Very high | 132 Ų | 132 | 50.1 Ų | 50.1 | 50% | 0.498 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.4 | -80.6 | -177 | -79.1 | 177.2 | -5.4 | 112 | P225 E226 I227 R233 | P225-R229 WeakPolarHBondContact O-CG 3.15Å; P225-R229 PolarHBondContact O-N 2.89Å; P225-R229 PolarHBondContact O-NE 3.12Å; E226-R229 IonicContact OE1-NH2 2.67Å; E226-R229 PolarHBondContact OE1-NH2 2.93Å; I227-R229 VanDerWaalsContact C-N 3.26Å; I227-R229 PolarHBondContact O-N 3.23Å; R229-R233 PolarHBondContact O-N 3.29Å |
| 230 | V | 96.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 177 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | I227 S232 R233 I234 I313 Q316 M317 Q320 | I227-V230 PolarHBondContact O-N 3.47Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 2.83Å; V230-R233 PolarHBondContact O-N 3.15Å; V230-I234 HydrophobicContact CG1-CD1 3.99Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.34Å; V230-I234 PolarHBondContact O-N 3.21Å; V230-I313 HydrophobicContact CG1-CG2 4.1Å; V230-Q316 HydrophobicContact CG2-CG 4.14Å; V230-M317 HydrophobicContact CG1-CB 4.02Å; V230-M317 HydrophobicContact CG1-CG 4.47Å; V230-Q320 HydrophobicContact CG2-CG 3.94Å |
| 231 | A | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L210 I218 I227 C228 R233 I234 L235 | L210-A231 HydrophobicContact CD1-CB 3.71Å; I218-A231 HydrophobicContact CB-CB 4.49Å; I218-A231 HydrophobicContact CG2-CB 3.62Å; I227-A231 WeakPolarHBondContact O-CB 3.34Å; I227-A231 PolarHBondContact O-N 3.31Å; C228-A231 PolarHBondContact O-N 3.32Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.89Å; A231-I234 PolarHBondContact O-N 3.02Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.27Å |
| 232 | S | 97.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | C228 V230 L235 D236 | C228-S232 WeakPolarHBondContact O-CB 3.24Å; C228-S232 PolarHBondContact O-N 3.44Å; C228-S232 PolarHBondContact O-OG 3.45Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 2.83Å; S232-L235 PolarHBondContact O-N 3.15Å; S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 VanDerWaalsContact O-CG 3.28Å; S232-D236 PolarHBondContact O-N 2.98Å |
| 233 | R | 98.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 44 Ų | 44 | 19% | 0.192 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 175 | -66.7 | -170.4 | 69 | -157.2 | -5.9 | 112.4 | R229 V230 A231 L235 D236 E237 S312 I313 | R229-R233 PolarHBondContact O-N 3.29Å; V230-R233 PolarHBondContact O-N 3.15Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.89Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.98Å; R233-D236 PolarHBondContact O-N 3.4Å; R233-E237 WeakPolarHBondContact CB-OE1 3.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.28Å; R233-E237 WeakPolarHBondContact CG-OE1 3.48Å; R233-E237 IonicContact CZ-OE1 3.92Å; R233-E237 IonicContact CZ-OE2 2.95Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 PolarHBondContact NE-OE1 3.25Å; R233-E237 IonicContact NE-OE2 2.98Å; R233-E237 IonicContact NH2-OE1 2.7Å; R233-E237 IonicContact NH2-OE2 3.23Å; R233-E237 PolarHBondContact NH2-OE2 2.97Å; R233-E237 WeakPolarHBondContact O-CA 3.36Å; R233-E237 WeakPolarHBondContact O-CB 3.5Å; R233-E237 PolarHBondContact O-N 3.36Å; R233-S312 PolarHBondContact NH1-OG 2.99Å; R233-S312 PolarHBondContact NH2-OG 3.28Å; R233-I313 HydrophobicContact CB-CD1 4.28Å; R233-I313 HydrophobicContact CB-CG1 4.13Å; R233-I313 HydrophobicContact CB-CG2 4.38Å |
| 234 | I | 98.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.3 | -63.2 | 164.3 | 0 | 0 | 0 | 110.4 | L196 V199 A200 L210 V230 A231 L238 V239 I313 | L196-I234 HydrophobicContact CD2-CD1 3.57Å; L196-I234 HydrophobicContact CD2-CG1 4.21Å; V199-I234 HydrophobicContact CG1-CD1 4.48Å; V199-I234 HydrophobicContact CG1-CG2 4.32Å; A200-I234 HydrophobicContact CB-CG2 4.31Å; L210-I234 HydrophobicContact CD1-CB 3.99Å; L210-I234 HydrophobicContact CD1-CD1 3.83Å; L210-I234 HydrophobicContact CD1-CG2 3.97Å; L210-I234 HydrophobicContact CD2-CB 4.35Å; L210-I234 HydrophobicContact CD2-CG2 3.7Å; V230-I234 HydrophobicContact CG1-CD1 3.99Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.34Å; V230-I234 PolarHBondContact O-N 3.21Å; A231-I234 PolarHBondContact O-N 3.02Å; I234-L238 HydrophobicContact CG2-CD1 4.34Å; I234-L238 WeakPolarHBondContact O-CA 3.46Å; I234-L238 WeakPolarHBondContact O-CB 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å; I234-L238 VanDerWaalsContact O-N 3.09Å; I234-V239 HydrophobicContact CG2-CG2 4.27Å; I234-V239 PolarHBondContact O-N 2.98Å; I234-I313 HydrophobicContact CG1-CG2 3.75Å |
| 235 | L | 98.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -62.7 | -49.1 | 178.6 | -72.9 | 167 | 0 | 0 | 0 | 111.8 | L210 R220 A231 S232 R233 V239 Q240 | L210-L235 HydrophobicContact CD2-CD2 3.61Å; L210-L235 HydrophobicContact CD2-CG 3.87Å; L210-L235 HydrophobicContact CG-CD2 4.2Å; L210-L235 HydrophobicContact CG-CG 4.17Å; R220-L235 HydrophobicContact CB-CD1 3.95Å; R220-L235 HydrophobicContact CG-CD1 4.22Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.27Å; S232-L235 PolarHBondContact O-N 3.15Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.98Å; L235-V239 HydrophobicContact CD2-CG2 4.34Å; L235-V239 WeakPolarHBondContact O-CB 3.3Å; L235-Q240 WeakPolarHBondContact O-CB 3.49Å; L235-Q240 PolarHBondContact O-N 3.06Å |
| 236 | D | 98.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -78.8 | -37.3 | -173.2 | -65.4 | -18 | 0 | 0 | 0 | 113.6 | R220 S232 R233 P241 | R220-D236 IonicContact CZ-OD1 3.77Å; R220-D236 VanDerWaalsContact CZ-OD1 3.27Å; R220-D236 IonicContact CZ-OD2 3.73Å; R220-D236 IonicContact NH1-OD1 2.82Å; R220-D236 PolarHBondContact NH1-OD1 3.28Å; R220-D236 IonicContact NH1-OD2 2.79Å; R220-D236 IonicContact NH2-OD1 3.75Å; R220-D236 PolarHBondContact NH2-OD1 3.22Å; R220-D236 IonicContact NH2-OD2 2.78Å; R220-D236 PolarHBondContact NH2-OD2 2.95Å; S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 VanDerWaalsContact O-CG 3.28Å; S232-D236 PolarHBondContact O-N 2.98Å; R233-D236 PolarHBondContact O-N 3.4Å; D236-P241 VanDerWaalsContact O-CD 3.3Å; D236-P241 WeakPolarHBondContact O-CD 3.47Å |
| 237 | E | 98.5 | Very high | 96.3 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -108.2 | -7.5 | -167.3 | -59.8 | 173.7 | -124.1 | 0 | 0 | 112.9 | R233 T309 I313 | R233-E237 WeakPolarHBondContact CB-OE1 3.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.28Å; R233-E237 WeakPolarHBondContact CG-OE1 3.48Å; R233-E237 IonicContact CZ-OE1 3.92Å; R233-E237 IonicContact CZ-OE2 2.95Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 PolarHBondContact NE-OE1 3.25Å; R233-E237 IonicContact NE-OE2 2.98Å; R233-E237 IonicContact NH2-OE1 2.7Å; R233-E237 IonicContact NH2-OE2 3.23Å; R233-E237 PolarHBondContact NH2-OE2 2.97Å; R233-E237 WeakPolarHBondContact O-CA 3.36Å; R233-E237 WeakPolarHBondContact O-CB 3.5Å; R233-E237 PolarHBondContact O-N 3.36Å; E237-T309 HydrophobicContact CB-CG2 3.58Å; E237-T309 HydrophobicContact CG-CG2 4.37Å; E237-T309 WeakPolarHBondContact OE2-CG2 3.48Å; E237-I313 HydrophobicContact CB-CD1 3.99Å |
| 238 | L | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -127.1 | -55.4 | 173.3 | -59.5 | 174.7 | 0 | 0 | 0 | 112.9 | L196 A200 I234 F242 L310 I313 | L196-L238 HydrophobicContact CB-CD1 4.38Å; A200-L238 HydrophobicContact CB-CB 3.89Å; A200-L238 HydrophobicContact CB-CD1 4.46Å; I234-L238 HydrophobicContact CG2-CD1 4.34Å; I234-L238 WeakPolarHBondContact O-CA 3.46Å; I234-L238 WeakPolarHBondContact O-CB 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å; I234-L238 VanDerWaalsContact O-N 3.09Å; L238-F242 WeakPolarHBondContact O-CB 3.36Å; L238-F242 WeakPolarHBondContact O-CD1 3.42Å; L238-F242 WeakPolarHBondContact O-CG 3.13Å; L238-F242 PolarHBondContact O-N 3.02Å; L238-L310 HydrophobicContact CD1-CD1 3.92Å; L238-L310 HydrophobicContact CD2-CB 4.2Å; L238-L310 HydrophobicContact CD2-CD1 4.43Å; L238-I313 HydrophobicContact CD1-CD1 3.85Å; L238-I313 HydrophobicContact CD2-CD1 4.38Å; L238-I313 HydrophobicContact CG-CD1 3.77Å |
| 239 | V | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -64.8 | -49.2 | -176.5 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | A200 L210 I234 L235 F242 Q243 | A200-V239 HydrophobicContact CB-CG2 4.07Å; L210-V239 HydrophobicContact CD2-CG2 4.04Å; I234-V239 HydrophobicContact CG2-CG2 4.27Å; I234-V239 PolarHBondContact O-N 2.98Å; L235-V239 HydrophobicContact CD2-CG2 4.34Å; L235-V239 WeakPolarHBondContact O-CB 3.3Å; V239-F242 WeakPolarHBondContact O-CB 3.42Å; V239-F242 PolarHBondContact O-N 3.31Å; V239-Q243 WeakPolarHBondContact O-CG 3.3Å; V239-Q243 PolarHBondContact O-N 2.93Å |
| 240 | Q | 98.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 42.5 Ų | 42.5 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 178.6 | -175.7 | 68.9 | 61.9 | 0 | 0 | 111.6 | L235 F242 Q243 D244 | L235-Q240 WeakPolarHBondContact O-CB 3.49Å; L235-Q240 PolarHBondContact O-N 3.06Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 2.91Å; Q240-Q243 WeakPolarHBondContact O-CB 3.35Å; Q240-Q243 PolarHBondContact O-N 3.16Å; Q240-Q243 VanDerWaalsContact O-N 3.09Å; Q240-D244 PolarHBondContact NE2-OD1 3.15Å; Q240-D244 PolarHBondContact O-N 3.34Å |
| 241 | P | 97.7 | Very high | 96.6 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -38 | 172.3 | -30.5 | 37.6 | 0 | 0 | 0 | 114.4 | D236 Q243 D244 I245 L306 | D236-P241 VanDerWaalsContact O-CD 3.3Å; D236-P241 WeakPolarHBondContact O-CD 3.47Å; P241-Q243 VanDerWaalsContact C-N 3.31Å; P241-Q243 PolarHBondContact O-N 2.78Å; P241-D244 PolarHBondContact O-N 2.74Å; P241-I245 VanDerWaalsContact O-CB 3.28Å; P241-I245 WeakPolarHBondContact O-CB 3.33Å; P241-I245 WeakPolarHBondContact O-CD1 3.43Å; P241-I245 WeakPolarHBondContact O-CG1 3.42Å; P241-I245 PolarHBondContact O-N 3.16Å; P241-L306 HydrophobicContact CB-CD2 3.62Å; P241-L306 HydrophobicContact CG-CD2 4.45Å |
| 242 | F | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.4 | -85.5 | 29.2 | 0 | 0 | 0 | 111.9 | L197 A200 K201 M204 L238 V239 Q240 Q246 I247 Y252 L306 | L197-F242 HydrophobicContact CD2-CZ 3.71Å; A200-F242 HydrophobicContact CB-CE2 4.37Å; K201-F242 HydrophobicContact CB-CD2 4.49Å; K201-F242 HydrophobicContact CB-CE2 4.18Å; M204-F242 HydrophobicContact CE-CB 3.99Å; M204-F242 WeakPolarHBondContact CE-O 3.48Å; M204-F242 HydrophobicContact CG-CB 3.99Å; M204-F242 HydrophobicContact CG-CD2 4.26Å; M204-F242 HydrophobicContact SD-CB 3.8Å; M204-F242 HydrophobicContact SD-CD2 3.81Å; M204-F242 HydrophobicContact SD-CG 4.32Å; L238-F242 WeakPolarHBondContact O-CB 3.36Å; L238-F242 WeakPolarHBondContact O-CD1 3.42Å; L238-F242 WeakPolarHBondContact O-CG 3.13Å; L238-F242 PolarHBondContact O-N 3.02Å; V239-F242 WeakPolarHBondContact O-CB 3.42Å; V239-F242 PolarHBondContact O-N 3.31Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 2.91Å; F242-Q246 WeakPolarHBondContact O-CA 3.37Å; F242-Q246 PolarHBondContact O-N 3.28Å; F242-I247 HydrophobicContact CB-CG2 3.74Å; F242-I247 HydrophobicContact CD1-CG2 4.31Å; F242-I247 HydrophobicContact CD2-CG2 3.62Å; F242-I247 HydrophobicContact CE2-CG2 4.26Å; F242-I247 HydrophobicContact CG-CG2 3.63Å; F242-I247 HydrophobicContact CZ-CD1 4.44Å; F242-I247 PolarHBondContact O-N 3.35Å; F242-I247 VanDerWaalsContact O-N 3.08Å; F242-Y252 HydrophobicContact CE2-CD2 4.03Å; F242-Y252 HydrophobicContact CE2-CE2 4.26Å; F242-Y252 HydrophobicContact CZ-CD2 4.5Å; F242-L306 HydrophobicContact CD1-CD1 3.97Å; F242-L306 HydrophobicContact CE1-CD1 3.72Å |
| 243 | Q | 96.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.6 | -44.6 | 176.2 | -69.7 | 167.2 | -16.3 | 0 | 0 | 111.5 | M204 V239 Q240 P241 Q246 | M204-Q243 HydrophobicContact CB-CG 4.46Å; M204-Q243 PolarHBondContact O-NE2 2.85Å; V239-Q243 WeakPolarHBondContact O-CG 3.3Å; V239-Q243 PolarHBondContact O-N 2.93Å; Q240-Q243 WeakPolarHBondContact O-CB 3.35Å; Q240-Q243 PolarHBondContact O-N 3.16Å; Q240-Q243 VanDerWaalsContact O-N 3.09Å; P241-Q243 VanDerWaalsContact C-N 3.31Å; P241-Q243 PolarHBondContact O-N 2.78Å; Q243-Q246 VanDerWaalsContact O-CG 3.26Å; Q243-Q246 WeakPolarHBondContact O-CG 3.46Å; Q243-Q246 PolarHBondContact O-N 3.5Å; Q243-Q246 VanDerWaalsContact O-N 3.11Å |
| 244 | D | 94.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 38.3 Ų | 38.3 | 59% | 0.594 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.1 | -44.4 | -179.2 | -66 | -18.5 | 0 | 0 | 0 | 111.3 | Q240 P241 Q246 | Q240-D244 PolarHBondContact NE2-OD1 3.15Å; Q240-D244 PolarHBondContact O-N 3.34Å; P241-D244 PolarHBondContact O-N 2.74Å; D244-Q246 PolarHBondContact O-N 2.88Å |
| 245 | I | 93.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.9 | -20.2 | 175.7 | -63.6 | 166.2 | 0 | 0 | 0 | 111 | P241 R299 E302 L303 L306 | P241-I245 VanDerWaalsContact O-CB 3.28Å; P241-I245 WeakPolarHBondContact O-CB 3.33Å; P241-I245 WeakPolarHBondContact O-CD1 3.43Å; P241-I245 WeakPolarHBondContact O-CG1 3.42Å; P241-I245 PolarHBondContact O-N 3.16Å; I245-R299 VanDerWaalsContact O-CZ 3.31Å; I245-R299 PolarHBondContact O-NH1 3.09Å; I245-R299 PolarHBondContact O-NH2 3.27Å; I245-E302 HydrophobicContact CD1-CB 4.22Å; I245-L303 HydrophobicContact CG2-CD2 3.91Å; I245-L303 HydrophobicContact CG2-CG 4.5Å; I245-L306 HydrophobicContact CD1-CD1 4Å; I245-L306 HydrophobicContact CD1-CD2 4.34Å; I245-L306 HydrophobicContact CD1-CG 4.5Å |
| 246 | Q | 93.6 | Very high | 96.6 | Very high | 154 Ų | 154 | 38 Ų | 38 | 72% | 0.72 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 56.7 | -169.6 | -57.6 | -175.9 | 12.7 | 0 | 0 | 111.3 | F242 Q243 D244 D248 R299 | F242-Q246 WeakPolarHBondContact O-CA 3.37Å; F242-Q246 PolarHBondContact O-N 3.28Å; Q243-Q246 VanDerWaalsContact O-CG 3.26Å; Q243-Q246 WeakPolarHBondContact O-CG 3.46Å; Q243-Q246 PolarHBondContact O-N 3.5Å; Q243-Q246 VanDerWaalsContact O-N 3.11Å; D244-Q246 PolarHBondContact O-N 2.88Å; Q246-D248 PolarHBondContact O-N 3.41Å; Q246-R299 PolarHBondContact O-NH2 3.24Å |
| 247 | I | 95.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | -62.2 | 123.9 | -178.5 | -169.4 | 175.3 | 0 | 0 | 0 | 111.3 | K201 M204 F242 E251 L255 L303 | K201-I247 PolarHBondContact NZ-O 2.99Å; M204-I247 HydrophobicContact CE-CG2 3.98Å; M204-I247 HydrophobicContact SD-CG2 3.89Å; F242-I247 HydrophobicContact CB-CG2 3.74Å; F242-I247 HydrophobicContact CD1-CG2 4.31Å; F242-I247 HydrophobicContact CD2-CG2 3.62Å; F242-I247 HydrophobicContact CE2-CG2 4.26Å; F242-I247 HydrophobicContact CG-CG2 3.63Å; F242-I247 HydrophobicContact CZ-CD1 4.44Å; F242-I247 PolarHBondContact O-N 3.35Å; F242-I247 VanDerWaalsContact O-N 3.08Å; I247-E251 HydrophobicContact CD1-CB 4.28Å; I247-E251 HydrophobicContact CG1-CB 3.69Å; I247-L255 HydrophobicContact CD1-CD1 3.68Å; I247-L303 HydrophobicContact CB-CD2 4.46Å; I247-L303 HydrophobicContact CD1-CD2 3.73Å; I247-L303 HydrophobicContact CG1-CD2 3.93Å | ||
| 248 | D | 93.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 16% | 0.16 | 16% | 0.159 | C | C | . | . | trans | -86.4 | 172.3 | 177.1 | 79.3 | 35.3 | 0 | 0 | 0 | 112.6 | Q246 N250 E251 Y252 Y288 R292 | Q246-D248 PolarHBondContact O-N 3.41Å; D248-N250 VanDerWaalsContact C-N 3.3Å; D248-N250 PolarHBondContact O-N 3.38Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 WeakPolarHBondContact OD1-CB 3.47Å; D248-N250 PolarHBondContact OD1-N 3.5Å; D248-E251 PolarHBondContact N-OE2 3.26Å; D248-E251 PolarHBondContact O-N 2.94Å; D248-E251 PolarHBondContact OD1-N 2.93Å; D248-Y252 VanDerWaalsContact O-CB 3.31Å; D248-Y252 WeakPolarHBondContact O-CB 3.44Å; D248-Y252 PolarHBondContact O-N 3.14Å; D248-Y288 VanDerWaalsContact CG-OH 3.28Å; D248-Y288 PolarHBondContact OD1-OH 2.95Å; D248-Y288 WeakPolarHBondContact OD2-CE1 3.33Å; D248-Y288 PolarHBondContact OD2-OH 3.27Å; D248-R292 IonicContact OD2-CZ 3.58Å; D248-R292 IonicContact OD2-NH1 3.63Å; D248-R292 PolarHBondContact OD2-NH1 2.81Å; D248-R292 IonicContact OD2-NH2 2.79Å; D248-R292 PolarHBondContact OD2-NH2 2.89Å | ||
| 249 | D | 94.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 32.1 Ų | 32.1 | 50% | 0.503 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.9 | -26.2 | -173.5 | -61.3 | -24.4 | 0 | 0 | 0 | 113.2 | K201 A253 | K201-D249 WeakPolarHBondContact CE-OD1 3.47Å; K201-D249 IonicContact NZ-OD1 3Å; K201-D249 PolarHBondContact NZ-OD1 3.22Å; D249-A253 VanDerWaalsContact O-CB 3.22Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 3.37Å |
| 250 | N | 94.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 32 Ų | 32 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.9 | -44.1 | 176.1 | -61.4 | -80.8 | 0 | 0 | 0 | 110.4 | I121 A125 D248 A253 A254 Y288 | I121-N250 HydrophobicContact CD1-CB 4.02Å; I121-N250 WeakPolarHBondContact CD1-O 3.37Å; I121-N250 HydrophobicContact CG1-CB 4.07Å; A125-N250 WeakPolarHBondContact CB-OD1 3.25Å; D248-N250 VanDerWaalsContact C-N 3.3Å; D248-N250 PolarHBondContact O-N 3.38Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 WeakPolarHBondContact OD1-CB 3.47Å; D248-N250 PolarHBondContact OD1-N 3.5Å; N250-A253 PolarHBondContact O-N 3.23Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.82Å; N250-Y288 HydrophobicContact CB-CE1 4.08Å; N250-Y288 HydrophobicContact CB-CE2 3.91Å; N250-Y288 WeakPolarHBondContact CB-OH 3.39Å; N250-Y288 PolarHBondContact ND2-OH 3.02Å |
| 251 | E | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.1 | -67.1 | 168 | 157.5 | 0 | 0 | 111.2 | I247 D248 A254 L255 L285 Y288 R299 L303 | I247-E251 HydrophobicContact CD1-CB 4.28Å; I247-E251 HydrophobicContact CG1-CB 3.69Å; D248-E251 PolarHBondContact N-OE2 3.26Å; D248-E251 PolarHBondContact O-N 2.94Å; D248-E251 PolarHBondContact OD1-N 2.93Å; E251-A254 PolarHBondContact O-N 2.85Å; E251-L255 PolarHBondContact O-N 2.77Å; E251-L285 HydrophobicContact CB-CD1 4.3Å; E251-L285 HydrophobicContact CG-CD1 4.03Å; E251-Y288 HydrophobicContact CG-CD1 4.11Å; E251-Y288 HydrophobicContact CG-CE1 3.78Å; E251-R299 IonicContact OE1-CZ 2.96Å; E251-R299 IonicContact OE1-NE 3.27Å; E251-R299 PolarHBondContact OE1-NE 2.78Å; E251-R299 IonicContact OE1-NH2 3.64Å; E251-R299 PolarHBondContact OE1-NH2 3.46Å; E251-R299 IonicContact OE2-CZ 2.87Å; E251-R299 IonicContact OE2-NE 2.68Å; E251-R299 IonicContact OE2-NH2 3.75Å; E251-R299 PolarHBondContact OE2-NH2 2.97Å; E251-L303 HydrophobicContact CB-CD1 4.21Å; E251-L303 HydrophobicContact CG-CD1 4.18Å |
| 252 | Y | 97.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 174 | 173.6 | -102.2 | 0 | 0 | 0 | 111.8 | E128 L197 G198 K201 F242 D248 A254 L255 K256 | E128-Y252 HydrophobicContact CG-CD1 4.18Å; E128-Y252 HydrophobicContact CG-CE1 4.01Å; L197-Y252 HydrophobicContact CB-CE2 4.16Å; L197-Y252 PolarHBondContact O-OH 3.42Å; G198-Y252 WeakPolarHBondContact CA-OH 3.15Å; K201-Y252 HydrophobicContact CB-CD2 3.93Å; K201-Y252 HydrophobicContact CB-CE1 4.47Å; K201-Y252 HydrophobicContact CB-CE2 3.5Å; K201-Y252 VanDerWaalsContact CB-CE2 3.5Å; K201-Y252 HydrophobicContact CD-CD2 4.2Å; K201-Y252 HydrophobicContact CD-CG 4.22Å; K201-Y252 HydrophobicContact CG-CD1 4.18Å; K201-Y252 HydrophobicContact CG-CD2 3.93Å; K201-Y252 HydrophobicContact CG-CE1 4.12Å; K201-Y252 HydrophobicContact CG-CE2 3.86Å; K201-Y252 HydrophobicContact CG-CG 4.08Å; F242-Y252 HydrophobicContact CE2-CD2 4.03Å; F242-Y252 HydrophobicContact CE2-CE2 4.26Å; F242-Y252 HydrophobicContact CZ-CD2 4.5Å; D248-Y252 VanDerWaalsContact O-CB 3.31Å; D248-Y252 WeakPolarHBondContact O-CB 3.44Å; D248-Y252 PolarHBondContact O-N 3.14Å; Y252-A254 VanDerWaalsContact C-N 3.3Å; Y252-A254 PolarHBondContact O-N 3.38Å; Y252-L255 PolarHBondContact O-N 2.96Å; Y252-K256 HydrophobicContact CE1-CD 4.37Å; Y252-K256 WeakPolarHBondContact O-CB 3.4Å; Y252-K256 PolarHBondContact O-N 3.23Å |
| 253 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L124 A125 E128 D249 N250 A257 | L124-A253 HydrophobicContact CB-CB 3.94Å; A125-A253 HydrophobicContact CB-CB 4.3Å; E128-A253 HydrophobicContact CB-CB 4.49Å; D249-A253 VanDerWaalsContact O-CB 3.22Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 3.37Å; N250-A253 PolarHBondContact O-N 3.23Å; A253-A257 WeakPolarHBondContact O-CB 3.37Å; A253-A257 PolarHBondContact O-N 3.44Å |
| 254 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I121 N250 E251 Y252 K256 A257 I258 V281 L285 | I121-A254 HydrophobicContact CD1-CB 3.83Å; I121-A254 HydrophobicContact CG1-CB 4.09Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.82Å; E251-A254 PolarHBondContact O-N 2.85Å; Y252-A254 VanDerWaalsContact C-N 3.3Å; Y252-A254 PolarHBondContact O-N 3.38Å; A254-K256 VanDerWaalsContact C-N 3.3Å; A254-K256 PolarHBondContact O-N 3.03Å; A254-A257 PolarHBondContact O-N 3.4Å; A254-A257 VanDerWaalsContact O-N 3.15Å; A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.48Å; A254-I258 PolarHBondContact O-N 2.7Å; A254-V281 HydrophobicContact CB-CG1 4.03Å; A254-L285 HydrophobicContact CB-CB 4.06Å; A254-L285 HydrophobicContact CB-CD1 3.92Å; A254-L285 HydrophobicContact CB-CD2 4.09Å; A254-L285 HydrophobicContact CB-CG 4.24Å |
| 255 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 175.3 | -78 | -175.1 | 0 | 0 | 0 | 111.6 | I247 E251 Y252 A257 I258 V259 L303 L304 L306 L307 | I247-L255 HydrophobicContact CD1-CD1 3.68Å; E251-L255 PolarHBondContact O-N 2.77Å; Y252-L255 PolarHBondContact O-N 2.96Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.22Å; L255-I258 HydrophobicContact CD2-CD1 4.48Å; L255-I258 PolarHBondContact O-N 3.49Å; L255-V259 WeakPolarHBondContact O-CG2 3.04Å; L255-V259 PolarHBondContact O-N 3.25Å; L255-L303 HydrophobicContact CD1-CB 4.23Å; L255-L303 HydrophobicContact CD1-CD2 4.04Å; L255-L303 HydrophobicContact CD2-CB 4.21Å; L255-L304 HydrophobicContact CD2-CD2 4.13Å; L255-L306 HydrophobicContact CD1-CD1 4.28Å; L255-L307 HydrophobicContact CD2-CD2 4.39Å |
| 256 | K | 98.2 | Very high | 96.6 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.8 | -166.6 | -178.4 | 179 | -169.5 | 0 | 110.8 | E128 W168 H194 Y252 A254 V259 F260 | E128-K256 WeakPolarHBondContact OE2-CD 3.36Å; E128-K256 IonicContact OE2-NZ 2.85Å; E128-K256 PolarHBondContact OE2-NZ 2.92Å; W168-K256 HydrophobicContact CD2-CD 4.19Å; W168-K256 HydrophobicContact CH2-CD 4.15Å; W168-K256 HydrophobicContact CH2-CG 3.86Å; W168-K256 HydrophobicContact CZ2-CB 4.21Å; W168-K256 HydrophobicContact CZ2-CD 3.6Å; W168-K256 HydrophobicContact CZ2-CG 3.69Å; H194-K256 PolarHBondContact CE1-O 3.4Å; H194-K256 VanDerWaalsContact CE1-O 3.28Å; Y252-K256 HydrophobicContact CE1-CD 4.37Å; Y252-K256 WeakPolarHBondContact O-CB 3.4Å; Y252-K256 PolarHBondContact O-N 3.23Å; A254-K256 VanDerWaalsContact C-N 3.3Å; A254-K256 PolarHBondContact O-N 3.03Å; K256-V259 PolarHBondContact O-N 3.19Å; K256-F260 WeakPolarHBondContact O-CB 3.49Å; K256-F260 PolarHBondContact O-N 3Å |
| 257 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L124 A253 A254 L255 V259 F260 F261 V281 | L124-A257 HydrophobicContact CD1-CB 3.78Å; L124-A257 HydrophobicContact CD2-CB 4.11Å; A253-A257 WeakPolarHBondContact O-CB 3.37Å; A253-A257 PolarHBondContact O-N 3.44Å; A254-A257 PolarHBondContact O-N 3.4Å; A254-A257 VanDerWaalsContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.22Å; A257-V259 VanDerWaalsContact C-N 3.34Å; A257-F260 PolarHBondContact O-N 3.43Å; A257-F261 HydrophobicContact CB-CD2 4.31Å; A257-F261 HydrophobicContact CB-CE2 4.29Å; A257-F261 VanDerWaalsContact O-CD2 3.26Å; A257-F261 WeakPolarHBondContact O-CD2 3.23Å; A257-F261 PolarHBondContact O-N 3.21Å; A257-V281 HydrophobicContact CB-CG1 4.01Å; A257-V281 HydrophobicContact CB-CG2 4.17Å |
| 258 | I | 98.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -42 | 175.1 | -71.9 | 165 | 0 | 0 | 0 | 111 | A254 L255 R278 V281 Q282 L285 L304 L307 | A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.48Å; A254-I258 PolarHBondContact O-N 2.7Å; L255-I258 HydrophobicContact CD2-CD1 4.48Å; L255-I258 PolarHBondContact O-N 3.49Å; I258-R278 HydrophobicContact CG2-CG 4.31Å; I258-R278 VanDerWaalsContact O-CD 3.24Å; I258-R278 WeakPolarHBondContact O-CD 3.44Å; I258-V281 HydrophobicContact CD1-CG1 4.29Å; I258-V281 HydrophobicContact CG1-CB 4.14Å; I258-V281 HydrophobicContact CG1-CG1 3.74Å; I258-Q282 HydrophobicContact CD1-CG 3.81Å; I258-Q282 HydrophobicContact CG1-CG 3.92Å; I258-L285 HydrophobicContact CD1-CD2 3.95Å; I258-L304 HydrophobicContact CD1-CD2 4.06Å; I258-L307 HydrophobicContact CG2-CD1 4Å |
| 259 | V | 98.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -41 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111 | H190 E193 L197 L255 K256 A257 L307 L310 | H190-V259 HydrophobicContact CB-CG1 3.62Å; H190-V259 PolarHBondContact CD2-O 3.35Å; H190-V259 VanDerWaalsContact CD2-O 3.27Å; E193-V259 HydrophobicContact CB-CG1 3.89Å; L197-V259 HydrophobicContact CD1-CG2 4.24Å; L255-V259 WeakPolarHBondContact O-CG2 3.04Å; L255-V259 PolarHBondContact O-N 3.25Å; K256-V259 PolarHBondContact O-N 3.19Å; A257-V259 VanDerWaalsContact C-N 3.34Å; V259-L307 HydrophobicContact CG2-CD2 3.53Å; V259-L310 HydrophobicContact CG2-CD2 4.25Å |
| 260 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | -175.6 | -173 | -113 | 0 | 0 | 0 | 113.7 | W168 A169 F175 L186 L187 H194 K256 A257 D262 | W168-F260 HydrophobicContact CH2-CB 3.84Å; W168-F260 HydrophobicContact CH2-CD1 4.19Å; W168-F260 HydrophobicContact CH2-CD2 4.45Å; W168-F260 AromaticContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CZ3-CB 4.02Å; W168-F260 AromaticContact CZ3-CD1 3.96Å; W168-F260 HydrophobicContact CZ3-CD1 3.96Å; W168-F260 AromaticContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CE1 4.34Å; W168-F260 HydrophobicContact CZ3-CE2 4.16Å; W168-F260 AromaticContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CZ 4.42Å; A169-F260 HydrophobicContact CB-CE1 4.18Å; A169-F260 HydrophobicContact CB-CE2 4.31Å; A169-F260 HydrophobicContact CB-CZ 3.65Å; F175-F260 AromaticContact CD2-CE1 3.51Å; F175-F260 HydrophobicContact CD2-CE1 3.51Å; F175-F260 AromaticContact CD2-CZ 3.67Å; F175-F260 HydrophobicContact CD2-CZ 3.67Å; F175-F260 AromaticContact CE2-CE1 3.86Å; F175-F260 HydrophobicContact CE2-CE1 3.86Å; F175-F260 AromaticContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CE2-CZ 3.49Å; F175-F260 VanDerWaalsContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CG-CE1 4.2Å; F175-F260 HydrophobicContact CG-CZ 4.49Å; F175-F260 HydrophobicContact CZ-CZ 4.21Å; L186-F260 HydrophobicContact CB-CE2 4.32Å; L186-F260 HydrophobicContact CB-CZ 4.16Å; L187-F260 HydrophobicContact CD2-CE2 3.92Å; L187-F260 HydrophobicContact CD2-CZ 4.24Å; L187-F260 HydrophobicContact CG-CE2 4.23Å; L187-F260 HydrophobicContact CG-CZ 4.35Å; H194-F260 AromaticContact NE2-CD2 3.51Å; K256-F260 WeakPolarHBondContact O-CB 3.49Å; K256-F260 PolarHBondContact O-N 3Å; A257-F260 PolarHBondContact O-N 3.43Å; F260-D262 PolarHBondContact O-N 3.4Å |
| 261 | F | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -82.5 | 61.8 | -179 | -67.5 | -58.7 | 0 | 0 | 0 | 111.6 | L118 I172 L186 A257 P263 I274 M277 R278 V281 | L118-F261 HydrophobicContact CD2-CE2 4.23Å; I172-F261 HydrophobicContact CG2-CZ 4.1Å; L186-F261 HydrophobicContact CD1-CD1 4.39Å; A257-F261 HydrophobicContact CB-CD2 4.31Å; A257-F261 HydrophobicContact CB-CE2 4.29Å; A257-F261 VanDerWaalsContact O-CD2 3.26Å; A257-F261 WeakPolarHBondContact O-CD2 3.23Å; A257-F261 PolarHBondContact O-N 3.21Å; F261-P263 WeakPolarHBondContact O-CD 3.4Å; F261-I274 VanDerWaalsContact C-CG2 3.44Å; F261-I274 HydrophobicContact CB-CG2 4.03Å; F261-I274 WeakPolarHBondContact O-CG2 3.48Å; F261-M277 HydrophobicContact CD1-CB 4.38Å; F261-M277 HydrophobicContact CD1-CE 3.88Å; F261-M277 HydrophobicContact CD1-SD 4.26Å; F261-M277 HydrophobicContact CE1-CE 3.35Å; F261-M277 HydrophobicContact CE1-SD 4.22Å; F261-M277 HydrophobicContact CE2-CE 4.31Å; F261-M277 HydrophobicContact CG-CB 4.26Å; F261-M277 HydrophobicContact CZ-CE 3.6Å; F261-R278 HydrophobicContact CB-CB 4.07Å; F261-R278 WeakPolarHBondContact O-CB 3.45Å; F261-R278 WeakPolarHBondContact O-CD 3.43Å; F261-V281 HydrophobicContact CD2-CG2 4.35Å | ||
| 262 | D | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -82 | 112.7 | 176.2 | -178.5 | 35.8 | 0 | 0 | 0 | 111.9 | L186 H190 F260 D264 A265 L268 R278 | L186-D262 WeakPolarHBondContact CD2-O 3.48Å; H190-D262 WeakPolarHBondContact NE2-CB 3.41Å; H190-D262 IonicContact NE2-OD2 2.82Å; H190-D262 PolarHBondContact NE2-OD2 3.48Å; F260-D262 PolarHBondContact O-N 3.4Å; D262-D264 PolarHBondContact O-N 3Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D262-D264 VanDerWaalsContact OD1-N 3.16Å; D262-D264 VanDerWaalsContact OD2-C 3.3Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.04Å; D262-L268 WeakPolarHBondContact O-CD1 3.46Å; D262-R278 IonicContact OD1-NH1 3.71Å; D262-R278 PolarHBondContact OD1-NH1 3.02Å | ||
| 263 | P | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13.9 | 174.8 | 33.2 | -35.6 | 0 | 0 | 0 | 112.9 | F261 A265 L268 P271 I274 K275 R278 | F261-P263 WeakPolarHBondContact O-CD 3.4Å; P263-A265 VanDerWaalsContact C-N 3.29Å; P263-L268 WeakPolarHBondContact O-CD1 3.21Å; P263-P271 HydrophobicContact CB-CB 4.47Å; P263-P271 VanDerWaalsContact CB-O 3.25Å; P263-P271 WeakPolarHBondContact CB-O 3.28Å; P263-P271 WeakPolarHBondContact O-CB 3.46Å; P263-I274 HydrophobicContact CB-CB 4.27Å; P263-I274 HydrophobicContact CB-CG2 4.34Å; P263-K275 HydrophobicContact CB-CB 3.78Å; P263-K275 HydrophobicContact CG-CB 4Å; P263-K275 HydrophobicContact CG-CG 4.38Å; P263-R278 VanDerWaalsContact CD-NH2 3.26Å |
| 264 | D | 97.5 | Very high | 96.8 | Very high | 130 Ų | 130 | 45.8 Ų | 45.8 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.7 | 178.6 | -57.7 | -51.4 | 0 | 0 | 0 | 112 | D262 | D262-D264 PolarHBondContact O-N 3Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D262-D264 VanDerWaalsContact OD1-N 3.16Å; D262-D264 VanDerWaalsContact OD2-C 3.3Å |
| 265 | A | 96.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -59.4 | 139.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L186 A189 D262 P263 L268 | L186-A265 HydrophobicContact CD2-CB 4.17Å; A189-A265 HydrophobicContact CB-CB 3.69Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.04Å; P263-A265 VanDerWaalsContact C-N 3.29Å; A265-L268 HydrophobicContact CB-CD1 3.84Å; A265-L268 HydrophobicContact CB-CG 4.05Å; A265-L268 WeakPolarHBondContact O-CG 3.5Å |
| 266 | K | 92.4 | Very high | 96.6 | Very high | 179 Ų | 179 | 56.1 Ų | 56.1 | 78% | 0.778 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 141.3 | -174.5 | -65.5 | -177.7 | -179.3 | 178.7 | 0 | 111.4 | S185 L268 | S185-K266 VanDerWaalsContact CB-O 3.23Å; S185-K266 WeakPolarHBondContact CB-O 3.35Å; S185-K266 PolarHBondContact OG-O 2.91Å; K266-L268 VanDerWaalsContact C-N 3.27Å; K266-L268 PolarHBondContact O-N 3.26Å |
| 267 | S | 93 | Very high | 96.4 | Very high | 106 Ų | 106 | 55.9 Ų | 55.9 | 74% | 0.741 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 21.9 | 171 | -48.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 268 | L | 96.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -66.4 | 136.3 | 172 | -72.2 | 175.8 | 0 | 0 | 0 | 111.6 | D182 L186 D262 P263 A265 K266 P271 I274 | D182-L268 HydrophobicContact CB-CD2 3.87Å; D182-L268 WeakPolarHBondContact OD1-CA 3.35Å; L186-L268 HydrophobicContact CD2-CD1 4.46Å; L186-L268 HydrophobicContact CD2-CD2 4.18Å; L186-L268 HydrophobicContact CG-CD2 4.18Å; D262-L268 WeakPolarHBondContact O-CD1 3.46Å; P263-L268 WeakPolarHBondContact O-CD1 3.21Å; A265-L268 HydrophobicContact CB-CD1 3.84Å; A265-L268 HydrophobicContact CB-CG 4.05Å; A265-L268 WeakPolarHBondContact O-CG 3.5Å; K266-L268 VanDerWaalsContact C-N 3.27Å; K266-L268 PolarHBondContact O-N 3.26Å; L268-P271 HydrophobicContact CB-CG 4.02Å; L268-I274 HydrophobicContact CD1-CB 4.43Å; L268-I274 HydrophobicContact CD1-CG1 4Å; L268-I274 HydrophobicContact CD2-CG1 4.31Å | ||
| 269 | R | 96.1 | Very high | 96.2 | Very high | 169 Ų | 169 | 62.6 Ų | 62.6 | 64% | 0.638 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -72.4 | -42 | 175.6 | -65.7 | 175.6 | 178.6 | -154.2 | 3.3 | 112.6 | D181 D182 | D181-R269 IonicContact OD2-CZ 2.73Å; D181-R269 IonicContact OD2-NE 3.42Å; D181-R269 IonicContact OD2-NH2 3.63Å; D181-R269 PolarHBondContact OD2-NH2 2.91Å; D182-R269 WeakPolarHBondContact OD1-CG 3.4Å; D182-R269 PolarHBondContact OD1-N 3.41Å |
| 270 | D | 95 | Very high | 95.9 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | trans | -132.6 | 81.3 | 178.1 | -172.1 | -6 | 0 | 0 | 0 | 111.8 | A272 K273 I274 | D270-A272 PolarHBondContact O-N 3.14Å; D270-A272 WeakPolarHBondContact OD1-CB 3.32Å; D270-A272 PolarHBondContact OD1-N 3.42Å; D270-A272 VanDerWaalsContact OD1-N 3.08Å; D270-K273 HydrophobicContact CB-CB 4.12Å; D270-K273 PolarHBondContact O-N 2.94Å; D270-K273 PolarHBondContact OD1-N 3.26Å; D270-K273 WeakPolarHBondContact OD2-CB 3.47Å; D270-I274 PolarHBondContact O-N 3.44Å | ||
| 271 | P | 97.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.3 | -30.6 | 173 | -28.4 | 36.5 | 0 | 0 | 0 | 114.1 | P263 L268 I274 K275 | P263-P271 HydrophobicContact CB-CB 4.47Å; P263-P271 VanDerWaalsContact CB-O 3.25Å; P263-P271 WeakPolarHBondContact CB-O 3.28Å; P263-P271 WeakPolarHBondContact O-CB 3.46Å; L268-P271 HydrophobicContact CB-CG 4.02Å; P271-I274 PolarHBondContact O-N 3.41Å; P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 3.32Å |
| 272 | A | 96.7 | Very high | 95.6 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.6 | -37.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D270 K275 T276 | D270-A272 PolarHBondContact O-N 3.14Å; D270-A272 WeakPolarHBondContact OD1-CB 3.32Å; D270-A272 PolarHBondContact OD1-N 3.42Å; D270-A272 VanDerWaalsContact OD1-N 3.08Å; A272-K275 PolarHBondContact O-N 2.99Å; A272-T276 PolarHBondContact O-N 2.7Å; A272-T276 PolarHBondContact O-OG1 3.01Å |
| 273 | K | 95.2 | Very high | 95.3 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.7 | -55.6 | 169.4 | -176.6 | 174.2 | -179.2 | 178.8 | 0 | 110.2 | L178 D270 K275 T276 M277 | L178-K273 HydrophobicContact CD2-CD 4.14Å; D270-K273 HydrophobicContact CB-CB 4.12Å; D270-K273 PolarHBondContact O-N 2.94Å; D270-K273 PolarHBondContact OD1-N 3.26Å; D270-K273 WeakPolarHBondContact OD2-CB 3.47Å; K273-K275 VanDerWaalsContact C-N 3.28Å; K273-K275 PolarHBondContact O-N 3.29Å; K273-T276 WeakPolarHBondContact O-CA 3.41Å; K273-T276 VanDerWaalsContact O-CB 3.32Å; K273-T276 WeakPolarHBondContact O-CB 3.47Å; K273-T276 PolarHBondContact O-N 3.3Å; K273-M277 HydrophobicContact CG-CG 4.47Å; K273-M277 HydrophobicContact CG-SD 4.37Å; K273-M277 VanDerWaalsContact O-CG 3.28Å; K273-M277 WeakPolarHBondContact O-CG 3.48Å; K273-M277 PolarHBondContact O-N 3.21Å |
| 274 | I | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -39.6 | -179.3 | -54.8 | -50.9 | 0 | 0 | 0 | 112.1 | L178 L186 F261 P263 L268 D270 P271 T276 M277 R278 | L178-I274 HydrophobicContact CD1-CD1 3.79Å; L178-I274 HydrophobicContact CD2-CD1 4Å; L186-I274 HydrophobicContact CD1-CD1 3.99Å; L186-I274 HydrophobicContact CD2-CG2 4.03Å; F261-I274 VanDerWaalsContact C-CG2 3.44Å; F261-I274 HydrophobicContact CB-CG2 4.03Å; F261-I274 WeakPolarHBondContact O-CG2 3.48Å; P263-I274 HydrophobicContact CB-CB 4.27Å; P263-I274 HydrophobicContact CB-CG2 4.34Å; L268-I274 HydrophobicContact CD1-CB 4.43Å; L268-I274 HydrophobicContact CD1-CG1 4Å; L268-I274 HydrophobicContact CD2-CG1 4.31Å; D270-I274 PolarHBondContact O-N 3.44Å; P271-I274 PolarHBondContact O-N 3.41Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.5Å; I274-M277 HydrophobicContact CD1-SD 3.89Å; I274-M277 WeakPolarHBondContact O-CB 3.48Å; I274-M277 PolarHBondContact O-N 2.91Å; I274-M277 VanDerWaalsContact O-N 3.14Å; I274-R278 PolarHBondContact O-N 3.19Å |
| 275 | K | 96.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 65.5 Ų | 65.5 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 175.6 | -175.5 | 175.9 | -179.3 | 174.7 | 0 | 112 | P263 P271 A272 K273 M277 R278 L279 | P263-K275 HydrophobicContact CB-CB 3.78Å; P263-K275 HydrophobicContact CG-CB 4Å; P263-K275 HydrophobicContact CG-CG 4.38Å; P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 3.32Å; A272-K275 PolarHBondContact O-N 2.99Å; K273-K275 VanDerWaalsContact C-N 3.28Å; K273-K275 PolarHBondContact O-N 3.29Å; K275-M277 VanDerWaalsContact C-N 3.3Å; K275-R278 PolarHBondContact O-N 2.7Å; K275-L279 WeakPolarHBondContact O-CB 3.47Å; K275-L279 PolarHBondContact O-N 3.11Å |
| 276 | T | 94.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 69.2 Ų | 69.2 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | A272 K273 I274 L279 Q280 | A272-T276 PolarHBondContact O-N 2.7Å; A272-T276 PolarHBondContact O-OG1 3.01Å; K273-T276 WeakPolarHBondContact O-CA 3.41Å; K273-T276 VanDerWaalsContact O-CB 3.32Å; K273-T276 WeakPolarHBondContact O-CB 3.47Å; K273-T276 PolarHBondContact O-N 3.3Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.5Å; T276-L279 PolarHBondContact O-N 3.34Å; T276-Q280 PolarHBondContact O-N 3.16Å |
| 277 | M | 94.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 176.2 | -58.5 | -176.1 | 64.4 | 0 | 0 | 112 | L118 S174 L178 F261 K273 I274 K275 L279 Q280 V281 | L118-M277 HydrophobicContact CD1-CB 3.58Å; L118-M277 HydrophobicContact CD1-CE 4.14Å; L118-M277 HydrophobicContact CD1-CG 3.65Å; L118-M277 HydrophobicContact CD2-CB 4.07Å; L118-M277 HydrophobicContact CD2-CE 4.47Å; L118-M277 VanDerWaalsContact CD2-O 3.3Å; L118-M277 WeakPolarHBondContact CD2-O 3.36Å; L118-M277 HydrophobicContact CG-CB 4.34Å; L118-M277 HydrophobicContact CG-CE 4.28Å; S174-M277 VanDerWaalsContact CB-CE 3.46Å; S174-M277 WeakPolarHBondContact OG-CE 3.44Å; L178-M277 HydrophobicContact CD2-SD 4.39Å; F261-M277 HydrophobicContact CD1-CB 4.38Å; F261-M277 HydrophobicContact CD1-CE 3.88Å; F261-M277 HydrophobicContact CD1-SD 4.26Å; F261-M277 HydrophobicContact CE1-CE 3.35Å; F261-M277 HydrophobicContact CE1-SD 4.22Å; F261-M277 HydrophobicContact CE2-CE 4.31Å; F261-M277 HydrophobicContact CG-CB 4.26Å; F261-M277 HydrophobicContact CZ-CE 3.6Å; K273-M277 HydrophobicContact CG-CG 4.47Å; K273-M277 HydrophobicContact CG-SD 4.37Å; K273-M277 VanDerWaalsContact O-CG 3.28Å; K273-M277 WeakPolarHBondContact O-CG 3.48Å; K273-M277 PolarHBondContact O-N 3.21Å; I274-M277 HydrophobicContact CD1-SD 3.89Å; I274-M277 WeakPolarHBondContact O-CB 3.48Å; I274-M277 PolarHBondContact O-N 2.91Å; I274-M277 VanDerWaalsContact O-N 3.14Å; K275-M277 VanDerWaalsContact C-N 3.3Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.43Å; M277-Q280 PolarHBondContact O-N 3.43Å; M277-V281 PolarHBondContact O-N 3.31Å |
| 278 | R | 96.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.8 | -174.4 | 167.9 | 67 | -171.8 | 0.2 | 112.4 | I258 F261 D262 P263 I274 K275 Q280 V281 Q282 | I258-R278 HydrophobicContact CG2-CG 4.31Å; I258-R278 VanDerWaalsContact O-CD 3.24Å; I258-R278 WeakPolarHBondContact O-CD 3.44Å; F261-R278 HydrophobicContact CB-CB 4.07Å; F261-R278 WeakPolarHBondContact O-CB 3.45Å; F261-R278 WeakPolarHBondContact O-CD 3.43Å; D262-R278 IonicContact OD1-NH1 3.71Å; D262-R278 PolarHBondContact OD1-NH1 3.02Å; P263-R278 VanDerWaalsContact CD-NH2 3.26Å; I274-R278 PolarHBondContact O-N 3.19Å; K275-R278 PolarHBondContact O-N 2.7Å; R278-Q280 VanDerWaalsContact C-N 3.31Å; R278-Q280 PolarHBondContact O-N 3.4Å; R278-V281 PolarHBondContact O-N 3.48Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.23Å |
| 279 | L | 94.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 178.4 | -179.1 | 62.3 | 0 | 0 | 0 | 111.6 | K275 T276 M277 V281 Q282 M283 | K275-L279 WeakPolarHBondContact O-CB 3.47Å; K275-L279 PolarHBondContact O-N 3.11Å; T276-L279 PolarHBondContact O-N 3.34Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.43Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.26Å; L279-Q282 WeakPolarHBondContact O-CB 3.32Å; L279-Q282 PolarHBondContact O-N 3.33Å; L279-M283 HydrophobicContact CD1-CG 4.43Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CG 3.49Å; L279-M283 PolarHBondContact O-N 3.04Å |
| 280 | Q | 93.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -37 | 177.5 | -174.1 | 165 | 1.8 | 0 | 0 | 112.4 | S115 L118 T276 M277 R278 S284 | S115-Q280 PolarHBondContact O-NE2 3.42Å; L118-Q280 HydrophobicContact CB-CB 4.33Å; L118-Q280 HydrophobicContact CB-CG 3.9Å; L118-Q280 HydrophobicContact CD1-CB 4.19Å; L118-Q280 VanDerWaalsContact N-OE1 3.11Å; T276-Q280 PolarHBondContact O-N 3.16Å; M277-Q280 PolarHBondContact O-N 3.43Å; R278-Q280 VanDerWaalsContact C-N 3.31Å; R278-Q280 PolarHBondContact O-N 3.4Å; Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.01Å; Q280-S284 PolarHBondContact O-OG 3.16Å |
| 281 | V | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L118 L124 A254 A257 I258 F261 M277 R278 L279 M283 S284 L285 | L118-V281 HydrophobicContact CD2-CG2 3.45Å; L118-V281 VanDerWaalsContact CD2-CG2 3.45Å; L124-V281 HydrophobicContact CD1-CG1 3.98Å; L124-V281 HydrophobicContact CD1-CG2 4.3Å; A254-V281 HydrophobicContact CB-CG1 4.03Å; A257-V281 HydrophobicContact CB-CG1 4.01Å; A257-V281 HydrophobicContact CB-CG2 4.17Å; I258-V281 HydrophobicContact CD1-CG1 4.29Å; I258-V281 HydrophobicContact CG1-CB 4.14Å; I258-V281 HydrophobicContact CG1-CG1 3.74Å; F261-V281 HydrophobicContact CD2-CG2 4.35Å; M277-V281 PolarHBondContact O-N 3.31Å; R278-V281 PolarHBondContact O-N 3.48Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.26Å; V281-M283 PolarHBondContact O-N 3.41Å; V281-S284 PolarHBondContact O-N 2.92Å; V281-L285 WeakPolarHBondContact O-CB 3.5Å; V281-L285 PolarHBondContact O-N 3.35Å |
| 282 | Q | 94.7 | Very high | 91.5 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 177.9 | -71.1 | 171.8 | -24.9 | 0 | 0 | 111.9 | I258 R278 L279 S284 L285 E286 F300 | I258-Q282 HydrophobicContact CD1-CG 3.81Å; I258-Q282 HydrophobicContact CG1-CG 3.92Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.23Å; L279-Q282 WeakPolarHBondContact O-CB 3.32Å; L279-Q282 PolarHBondContact O-N 3.33Å; Q282-S284 PolarHBondContact O-N 2.99Å; Q282-L285 PolarHBondContact O-N 2.8Å; Q282-E286 PolarHBondContact O-N 2.88Å; Q282-F300 HydrophobicContact CB-CZ 4.34Å; Q282-F300 WeakPolarHBondContact O-CE2 3.07Å |
| 283 | M | 91.1 | Very high | 89.6 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 51% | 0.512 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.8 | -68.5 | 176.8 | 67.7 | 0 | 0 | 111.7 | L279 V281 L285 E286 D287 | L279-M283 HydrophobicContact CD1-CG 4.43Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CG 3.49Å; L279-M283 PolarHBondContact O-N 3.04Å; V281-M283 PolarHBondContact O-N 3.41Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.93Å; M283-E286 PolarHBondContact O-N 3Å; M283-D287 WeakPolarHBondContact O-CB 3.27Å; M283-D287 PolarHBondContact O-N 3.01Å |
| 284 | S | 91.5 | Very high | 87.7 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | Q280 V281 Q282 Y288 | Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.01Å; Q280-S284 PolarHBondContact O-OG 3.16Å; V281-S284 PolarHBondContact O-N 2.92Å; Q282-S284 PolarHBondContact O-N 2.99Å; S284-Y288 VanDerWaalsContact O-CB 3.27Å; S284-Y288 WeakPolarHBondContact O-CB 3.32Å; S284-Y288 PolarHBondContact O-N 3.37Å |
| 285 | L | 92.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 174.9 | 178.3 | 59.3 | 0 | 0 | 0 | 111.4 | I121 E251 A254 I258 V281 Q282 M283 Y288 I289 F300 L303 | I121-L285 HydrophobicContact CD1-CD1 4.17Å; E251-L285 HydrophobicContact CB-CD1 4.3Å; E251-L285 HydrophobicContact CG-CD1 4.03Å; A254-L285 HydrophobicContact CB-CB 4.06Å; A254-L285 HydrophobicContact CB-CD1 3.92Å; A254-L285 HydrophobicContact CB-CD2 4.09Å; A254-L285 HydrophobicContact CB-CG 4.24Å; I258-L285 HydrophobicContact CD1-CD2 3.95Å; V281-L285 WeakPolarHBondContact O-CB 3.5Å; V281-L285 PolarHBondContact O-N 3.35Å; Q282-L285 PolarHBondContact O-N 2.8Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.93Å; L285-Y288 PolarHBondContact O-N 3.31Å; L285-I289 HydrophobicContact CD1-CD1 3.85Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.31Å; L285-F300 HydrophobicContact CB-CE2 4.27Å; L285-F300 HydrophobicContact CD2-CD2 4.17Å; L285-F300 HydrophobicContact CD2-CE2 4.07Å; L285-F300 HydrophobicContact CG-CD2 4.06Å; L285-F300 HydrophobicContact CG-CE2 4.13Å; L285-L303 HydrophobicContact CD1-CD1 4.4Å |
| 286 | E | 91 | Very high | 84.9 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176 | -179.4 | 171 | -150.4 | 0 | 0 | 111.3 | Q282 M283 I289 N290 F300 | Q282-E286 PolarHBondContact O-N 2.88Å; M283-E286 PolarHBondContact O-N 3Å; E286-I289 PolarHBondContact O-N 3.21Å; E286-N290 VanDerWaalsContact CG-ND2 3.34Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.08Å; E286-N290 PolarHBondContact O-ND2 3.22Å; E286-F300 HydrophobicContact CB-CD2 4.07Å; E286-F300 HydrophobicContact CB-CE2 4.02Å; E286-F300 HydrophobicContact CB-CZ 4.41Å |
| 287 | D | 88.4 | Confident | 84.3 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.1 | -79.9 | -23.4 | 0 | 0 | 0 | 111.9 | M283 I289 N290 D291 | M283-D287 WeakPolarHBondContact O-CB 3.27Å; M283-D287 PolarHBondContact O-N 3.01Å; D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.01Å; D287-N290 PolarHBondContact O-N 3.44Å; D287-D291 PolarHBondContact O-N 2.88Å; D287-D291 VanDerWaalsContact O-N 3.08Å |
| 288 | Y | 88.6 | Confident | 83.9 | Confident | 44 Ų | 44 | 79.7 Ų | 79.7 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 177.7 | 177.5 | -95.2 | 0 | 0 | 0 | 112.3 | I121 D248 N250 E251 S284 L285 R292 | I121-Y288 HydrophobicContact CD1-CD1 4.29Å; I121-Y288 HydrophobicContact CD1-CD2 4.38Å; I121-Y288 HydrophobicContact CD1-CG 3.99Å; I121-Y288 HydrophobicContact CG2-CD2 4.05Å; D248-Y288 VanDerWaalsContact CG-OH 3.28Å; D248-Y288 PolarHBondContact OD1-OH 2.95Å; D248-Y288 WeakPolarHBondContact OD2-CE1 3.33Å; D248-Y288 PolarHBondContact OD2-OH 3.27Å; N250-Y288 HydrophobicContact CB-CE1 4.08Å; N250-Y288 HydrophobicContact CB-CE2 3.91Å; N250-Y288 WeakPolarHBondContact CB-OH 3.39Å; N250-Y288 PolarHBondContact ND2-OH 3.02Å; E251-Y288 HydrophobicContact CG-CD1 4.11Å; E251-Y288 HydrophobicContact CG-CE1 3.78Å; S284-Y288 VanDerWaalsContact O-CB 3.27Å; S284-Y288 WeakPolarHBondContact O-CB 3.32Å; S284-Y288 PolarHBondContact O-N 3.37Å; L285-Y288 PolarHBondContact O-N 3.31Å; Y288-R292 PolarHBondContact OH-NH2 3.33Å |
| 289 | I | 89.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.6 | -70.2 | 166.4 | 0 | 0 | 0 | 110.4 | L285 E286 D287 D291 R292 S296 R299 F300 L303 | L285-I289 HydrophobicContact CD1-CD1 3.85Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.31Å; E286-I289 PolarHBondContact O-N 3.21Å; D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.01Å; I289-D291 PolarHBondContact O-N 3.27Å; I289-R292 WeakPolarHBondContact O-CB 3.2Å; I289-R292 PolarHBondContact O-N 2.96Å; I289-S296 VanDerWaalsContact O-CB 3.22Å; I289-S296 WeakPolarHBondContact O-CB 3.45Å; I289-R299 HydrophobicContact CD1-CG 4.48Å; I289-R299 HydrophobicContact CG2-CB 4.01Å; I289-R299 HydrophobicContact CG2-CG 4.36Å; I289-F300 HydrophobicContact CD1-CB 3.9Å; I289-F300 HydrophobicContact CD1-CD2 4.04Å; I289-F300 HydrophobicContact CD1-CG 4.5Å; I289-L303 HydrophobicContact CD1-CD1 3.69Å |
| 290 | N | 85.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 76 Ų | 76 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -21.5 | -176.8 | -76.6 | -35 | 0 | 0 | 0 | 114 | E286 D287 R292 | E286-N290 VanDerWaalsContact CG-ND2 3.34Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.08Å; E286-N290 PolarHBondContact O-ND2 3.22Å; D287-N290 PolarHBondContact O-N 3.44Å; N290-R292 PolarHBondContact O-N 3.02Å |
| 291 | D | 81.7 | Confident | 83.7 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.7 | 172.3 | -80.1 | -2.3 | 0 | 0 | 0 | 112.8 | R110 D287 I289 Q293 | R110-D291 IonicContact CZ-OD1 3.6Å; R110-D291 IonicContact NE-OD1 3.7Å; R110-D291 IonicContact NH1-OD1 2.73Å; R110-D291 PolarHBondContact NH1-OD1 2.91Å; R110-D291 IonicContact NH2-OD1 3.03Å; R110-D291 PolarHBondContact NH2-OD1 3.39Å; D287-D291 PolarHBondContact O-N 2.88Å; D287-D291 VanDerWaalsContact O-N 3.08Å; I289-D291 PolarHBondContact O-N 3.27Å; D291-Q293 PolarHBondContact O-N 3.25Å |
| 292 | R | 73.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 43% | 0.434 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -94 | 68.3 | 173.5 | -60.7 | -179.4 | 175.5 | -175.4 | -1 | 111 | D248 Y288 I289 N290 Y294 D295 S296 | D248-R292 IonicContact OD2-CZ 3.58Å; D248-R292 IonicContact OD2-NH1 3.63Å; D248-R292 PolarHBondContact OD2-NH1 2.81Å; D248-R292 IonicContact OD2-NH2 2.79Å; D248-R292 PolarHBondContact OD2-NH2 2.89Å; Y288-R292 PolarHBondContact OH-NH2 3.33Å; I289-R292 WeakPolarHBondContact O-CB 3.2Å; I289-R292 PolarHBondContact O-N 2.96Å; N290-R292 PolarHBondContact O-N 3.02Å; R292-Y294 PolarHBondContact O-N 2.88Å; R292-D295 PolarHBondContact O-N 3.18Å; R292-S296 WeakPolarHBondContact O-CB 3.16Å |
| 293 | Q | 55.9 | Low | 83.7 | Confident | 136 Ų | 136 | 77.9 Ų | 77.9 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -14.5 | -164.2 | -62.3 | -152.3 | -36.3 | 0 | 0 | 118.2 | D291 | D291-Q293 PolarHBondContact O-N 3.25Š|
| 294 | Y | 55.5 | Low | 84 | Confident | 228 Ų | 228 | 74.9 Ų | 74.9 | 89% | 0.894 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -9.9 | -175.2 | -61.7 | -74.8 | 0 | 0 | 0 | 114.5 | R292 | R292-Y294 PolarHBondContact O-N 2.88Š|
| 295 | D | 66.8 | Low | 84.3 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 65% | 0.647 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 10.6 | -175.6 | -155 | 18.8 | 0 | 0 | 0 | 113 | R292 | R292-D295 PolarHBondContact O-N 3.18Š|
| 296 | S | 68.7 | Low | 84.6 | Confident | 22 Ų | 22 | 80 Ų | 80 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | trans | -91.8 | -18.2 | -166.8 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | I289 R292 G298 R299 | I289-S296 VanDerWaalsContact O-CB 3.22Å; I289-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.16Å; S296-G298 PolarHBondContact O-N 3.32Å; S296-G298 VanDerWaalsContact O-N 3.1Å; S296-R299 PolarHBondContact O-N 3.34Å | ||
| 297 | R | 81.5 | Confident | 84.9 | Confident | 253 Ų | 253 | 77.5 Ų | 77.5 | 96% | 0.955 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 110.6 | -172.3 | -172.9 | -179.8 | 179.6 | 119.6 | 0.7 | 110.6 | R299 | R297-R299 VanDerWaalsContact C-N 3.33Š|
| 298 | G | 86.4 | Confident | 85.4 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 46% | 0.464 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -20.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S296 F300 G301 E302 | S296-G298 PolarHBondContact O-N 3.32Å; S296-G298 VanDerWaalsContact O-N 3.1Å; G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.17Å; G298-G301 WeakPolarHBondContact O-CA 3.29Å; G298-G301 PolarHBondContact O-N 3.41Å; G298-E302 PolarHBondContact O-N 2.75Å |
| 299 | R | 92.1 | Very high | 85.9 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.6 | -41.9 | -176.4 | -173.2 | 177.6 | -175.8 | 79.1 | 4.5 | 114 | I245 Q246 E251 I289 S296 R297 G301 E302 L303 | I245-R299 VanDerWaalsContact O-CZ 3.31Å; I245-R299 PolarHBondContact O-NH1 3.09Å; I245-R299 PolarHBondContact O-NH2 3.27Å; Q246-R299 PolarHBondContact O-NH2 3.24Å; E251-R299 IonicContact OE1-CZ 2.96Å; E251-R299 IonicContact OE1-NE 3.27Å; E251-R299 PolarHBondContact OE1-NE 2.78Å; E251-R299 IonicContact OE1-NH2 3.64Å; E251-R299 PolarHBondContact OE1-NH2 3.46Å; E251-R299 IonicContact OE2-CZ 2.87Å; E251-R299 IonicContact OE2-NE 2.68Å; E251-R299 IonicContact OE2-NH2 3.75Å; E251-R299 PolarHBondContact OE2-NH2 2.97Å; I289-R299 HydrophobicContact CD1-CG 4.48Å; I289-R299 HydrophobicContact CG2-CB 4.01Å; I289-R299 HydrophobicContact CG2-CG 4.36Å; S296-R299 PolarHBondContact O-N 3.34Å; R297-R299 VanDerWaalsContact C-N 3.33Å; R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 3.08Å; R299-E302 PolarHBondContact O-N 3.41Å; R299-L303 HydrophobicContact CG-CD1 4.35Å; R299-L303 WeakPolarHBondContact O-CG 3.31Å; R299-L303 PolarHBondContact O-N 3.44Å |
| 300 | F | 93.5 | Very high | 86.4 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.8 | -179.8 | -106.5 | 0 | 0 | 0 | 111.9 | Q282 L285 E286 I289 G298 L304 | Q282-F300 HydrophobicContact CB-CZ 4.34Å; Q282-F300 WeakPolarHBondContact O-CE2 3.07Å; L285-F300 HydrophobicContact CB-CE2 4.27Å; L285-F300 HydrophobicContact CD2-CD2 4.17Å; L285-F300 HydrophobicContact CD2-CE2 4.07Å; L285-F300 HydrophobicContact CG-CD2 4.06Å; L285-F300 HydrophobicContact CG-CE2 4.13Å; E286-F300 HydrophobicContact CB-CD2 4.07Å; E286-F300 HydrophobicContact CB-CE2 4.02Å; E286-F300 HydrophobicContact CB-CZ 4.41Å; I289-F300 HydrophobicContact CD1-CB 3.9Å; I289-F300 HydrophobicContact CD1-CD2 4.04Å; I289-F300 HydrophobicContact CD1-CG 4.5Å; G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.17Å; F300-L304 HydrophobicContact CD1-CD1 4.11Å; F300-L304 HydrophobicContact CE1-CD1 3.49Å; F300-L304 VanDerWaalsContact CE1-CD1 3.49Å; F300-L304 HydrophobicContact CE1-CG 4.42Å; F300-L304 HydrophobicContact CE2-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD1 3.58Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 3.46Å; F300-L304 PolarHBondContact O-N 3.19Å |
| 301 | G | 94.5 | Very high | 86.9 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G298 R299 L303 L304 L305 | G298-G301 WeakPolarHBondContact O-CA 3.29Å; G298-G301 PolarHBondContact O-N 3.41Å; R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 3.08Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 2.96Å; G301-L304 PolarHBondContact O-N 3.33Å; G301-L305 WeakPolarHBondContact O-CB 3.39Å; G301-L305 VanDerWaalsContact O-CG 3.25Å; G301-L305 WeakPolarHBondContact O-CG 3.38Å; G301-L305 PolarHBondContact O-N 2.73Å |
| 302 | E | 94.3 | Very high | 87.7 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 177.5 | -70.6 | -179.6 | 168.9 | 0 | 0 | 112 | I245 G298 R299 L304 L305 | I245-E302 HydrophobicContact CD1-CB 4.22Å; G298-E302 PolarHBondContact O-N 2.75Å; R299-E302 PolarHBondContact O-N 3.41Å; E302-L304 PolarHBondContact O-N 3.22Å; E302-L305 PolarHBondContact O-N 3Å |
| 303 | L | 96.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.9 | -71.1 | 170.9 | 0 | 0 | 0 | 112.3 | I245 I247 E251 L255 L285 I289 R299 G301 L306 | I245-L303 HydrophobicContact CG2-CD2 3.91Å; I245-L303 HydrophobicContact CG2-CG 4.5Å; I247-L303 HydrophobicContact CB-CD2 4.46Å; I247-L303 HydrophobicContact CD1-CD2 3.73Å; I247-L303 HydrophobicContact CG1-CD2 3.93Å; E251-L303 HydrophobicContact CB-CD1 4.21Å; E251-L303 HydrophobicContact CG-CD1 4.18Å; L255-L303 HydrophobicContact CD1-CB 4.23Å; L255-L303 HydrophobicContact CD1-CD2 4.04Å; L255-L303 HydrophobicContact CD2-CB 4.21Å; L285-L303 HydrophobicContact CD1-CD1 4.4Å; I289-L303 HydrophobicContact CD1-CD1 3.69Å; R299-L303 HydrophobicContact CG-CD1 4.35Å; R299-L303 WeakPolarHBondContact O-CG 3.31Å; R299-L303 PolarHBondContact O-N 3.44Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 2.96Å; L303-L306 HydrophobicContact CD2-CD1 4.39Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 WeakPolarHBondContact O-CG 3.38Å; L303-L306 PolarHBondContact O-N 3.15Å |
| 304 | L | 97.4 | Very high | 91 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.2 | -29.5 | 179.3 | -66.9 | -173.7 | 0 | 0 | 0 | 113.2 | L255 I258 F300 G301 E302 L306 L307 | L255-L304 HydrophobicContact CD2-CD2 4.13Å; I258-L304 HydrophobicContact CD1-CD2 4.06Å; F300-L304 HydrophobicContact CD1-CD1 4.11Å; F300-L304 HydrophobicContact CE1-CD1 3.49Å; F300-L304 VanDerWaalsContact CE1-CD1 3.49Å; F300-L304 HydrophobicContact CE1-CG 4.42Å; F300-L304 HydrophobicContact CE2-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD1 3.58Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 3.46Å; F300-L304 PolarHBondContact O-N 3.19Å; G301-L304 PolarHBondContact O-N 3.33Å; E302-L304 PolarHBondContact O-N 3.22Å; L304-L306 PolarHBondContact O-N 2.92Å; L304-L307 HydrophobicContact CD2-CD1 4.17Å; L304-L307 WeakPolarHBondContact O-CB 3.12Å; L304-L307 WeakPolarHBondContact O-CG 3.37Å; L304-L307 PolarHBondContact O-N 2.96Å; L304-L307 VanDerWaalsContact O-N 3.11Å |
| 305 | L | 97.8 | Very high | 92.9 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6.7 | 176.9 | -73.2 | 171.4 | 0 | 0 | 0 | 113.3 | G301 E302 L307 P308 | G301-L305 WeakPolarHBondContact O-CB 3.39Å; G301-L305 VanDerWaalsContact O-CG 3.25Å; G301-L305 WeakPolarHBondContact O-CG 3.38Å; G301-L305 PolarHBondContact O-N 2.73Å; E302-L305 PolarHBondContact O-N 3Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-P308 WeakPolarHBondContact O-CD 3.4Å |
| 306 | L | 98 | Very high | 94.4 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.3 | -25 | 168.5 | -57.7 | 168.8 | 0 | 0 | 0 | 111.9 | P241 F242 I245 L255 L303 L304 T309 L310 | P241-L306 HydrophobicContact CB-CD2 3.62Å; P241-L306 HydrophobicContact CG-CD2 4.45Å; F242-L306 HydrophobicContact CD1-CD1 3.97Å; F242-L306 HydrophobicContact CE1-CD1 3.72Å; I245-L306 HydrophobicContact CD1-CD1 4Å; I245-L306 HydrophobicContact CD1-CD2 4.34Å; I245-L306 HydrophobicContact CD1-CG 4.5Å; L255-L306 HydrophobicContact CD1-CD1 4.28Å; L303-L306 HydrophobicContact CD2-CD1 4.39Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 WeakPolarHBondContact O-CG 3.38Å; L303-L306 PolarHBondContact O-N 3.15Å; L304-L306 PolarHBondContact O-N 2.92Å; L306-T309 PolarHBondContact O-N 3.21Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 PolarHBondContact O-N 2.86Å |
| 307 | L | 98.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | -173.1 | -56.6 | -178.4 | 0 | 0 | 0 | 114.2 | L255 I258 V259 L304 L305 T309 L310 Q311 | L255-L307 HydrophobicContact CD2-CD2 4.39Å; I258-L307 HydrophobicContact CG2-CD1 4Å; V259-L307 HydrophobicContact CG2-CD2 3.53Å; L304-L307 HydrophobicContact CD2-CD1 4.17Å; L304-L307 WeakPolarHBondContact O-CB 3.12Å; L304-L307 WeakPolarHBondContact O-CG 3.37Å; L304-L307 PolarHBondContact O-N 2.96Å; L304-L307 VanDerWaalsContact O-N 3.11Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.42Å; L307-L310 HydrophobicContact CD2-CD2 4.34Å; L307-L310 WeakPolarHBondContact O-CB 2.99Å; L307-L310 PolarHBondContact O-N 2.96Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.17Å |
| 308 | P | 98.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.9 | -24 | 35.3 | 0 | 0 | 0 | 112.5 | L305 Q311 S312 | L305-P308 WeakPolarHBondContact O-CD 3.4Å; P308-Q311 PolarHBondContact O-N 3.35Å; P308-S312 PolarHBondContact O-N 3.07Å |
| 309 | T | 98.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | E237 L306 L307 Q311 S312 I313 | E237-T309 HydrophobicContact CB-CG2 3.58Å; E237-T309 HydrophobicContact CG-CG2 4.37Å; E237-T309 WeakPolarHBondContact OE2-CG2 3.48Å; L306-T309 PolarHBondContact O-N 3.21Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.42Å; T309-Q311 VanDerWaalsContact C-N 3.33Å; T309-Q311 PolarHBondContact O-N 3.38Å; T309-S312 WeakPolarHBondContact O-CB 3.25Å; T309-S312 PolarHBondContact O-N 3.43Å; T309-S312 VanDerWaalsContact O-N 3.16Å; T309-I313 HydrophobicContact CG2-CD1 3.96Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.39Å; T309-I313 PolarHBondContact O-N 3.24Å |
| 310 | L | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55 | -46.8 | 173 | 176.1 | 66.1 | 0 | 0 | 0 | 112.2 | E193 L196 L197 L238 V259 L306 L307 I313 T314 | E193-L310 HydrophobicContact CB-CD1 4.43Å; E193-L310 HydrophobicContact CB-CD2 3.87Å; E193-L310 HydrophobicContact CB-CG 3.97Å; E193-L310 HydrophobicContact CG-CD2 4.24Å; E193-L310 HydrophobicContact CG-CG 4.01Å; L196-L310 HydrophobicContact CB-CD1 3.64Å; L197-L310 HydrophobicContact CD1-CD2 3.69Å; L197-L310 HydrophobicContact CD2-CD1 4.29Å; L197-L310 HydrophobicContact CD2-CD2 3.83Å; L197-L310 HydrophobicContact CG-CD1 3.97Å; L197-L310 HydrophobicContact CG-CD2 3.54Å; L197-L310 HydrophobicContact CG-CG 4.4Å; L238-L310 HydrophobicContact CD1-CD1 3.92Å; L238-L310 HydrophobicContact CD2-CB 4.2Å; L238-L310 HydrophobicContact CD2-CD1 4.43Å; V259-L310 HydrophobicContact CG2-CD2 4.25Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 PolarHBondContact O-N 2.86Å; L307-L310 HydrophobicContact CD2-CD2 4.34Å; L307-L310 WeakPolarHBondContact O-CB 2.99Å; L307-L310 PolarHBondContact O-N 2.96Å; L310-I313 PolarHBondContact O-N 3.43Å; L310-T314 WeakPolarHBondContact O-CB 3.3Å; L310-T314 PolarHBondContact O-N 3.02Å; L310-T314 PolarHBondContact O-OG1 3.4Å |
| 311 | Q | 98.1 | Very high | 96.6 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 175.6 | -73.5 | 179.9 | -10.9 | 0 | 0 | 111.1 | E193 L307 P308 T309 I313 T314 W315 | E193-Q311 HydrophobicContact CG-CG 4.34Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.17Å; P308-Q311 PolarHBondContact O-N 3.35Å; T309-Q311 VanDerWaalsContact C-N 3.33Å; T309-Q311 PolarHBondContact O-N 3.38Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 3.27Å; Q311-T314 WeakPolarHBondContact O-CB 3.18Å; Q311-T314 PolarHBondContact O-N 3.4Å; Q311-T314 VanDerWaalsContact O-N 3.13Å; Q311-W315 PolarHBondContact O-N 2.93Å |
| 312 | S | 98.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 179.1 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | R233 P308 T309 Q316 | R233-S312 PolarHBondContact NH1-OG 2.99Å; R233-S312 PolarHBondContact NH2-OG 3.28Å; P308-S312 PolarHBondContact O-N 3.07Å; T309-S312 WeakPolarHBondContact O-CB 3.25Å; T309-S312 PolarHBondContact O-N 3.43Å; T309-S312 VanDerWaalsContact O-N 3.16Å; S312-Q316 PolarHBondContact O-N 2.94Å |
| 313 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 179 | -57.7 | 163.7 | 0 | 0 | 0 | 110.4 | L196 V230 R233 I234 E237 L238 T309 L310 Q311 W315 Q316 M317 | L196-I313 HydrophobicContact CD1-CB 3.84Å; L196-I313 HydrophobicContact CD1-CG2 3.53Å; V230-I313 HydrophobicContact CG1-CG2 4.1Å; R233-I313 HydrophobicContact CB-CD1 4.28Å; R233-I313 HydrophobicContact CB-CG1 4.13Å; R233-I313 HydrophobicContact CB-CG2 4.38Å; I234-I313 HydrophobicContact CG1-CG2 3.75Å; E237-I313 HydrophobicContact CB-CD1 3.99Å; L238-I313 HydrophobicContact CD1-CD1 3.85Å; L238-I313 HydrophobicContact CD2-CD1 4.38Å; L238-I313 HydrophobicContact CG-CD1 3.77Å; T309-I313 HydrophobicContact CG2-CD1 3.96Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.39Å; T309-I313 PolarHBondContact O-N 3.24Å; L310-I313 PolarHBondContact O-N 3.43Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 3.27Å; I313-W315 PolarHBondContact O-N 3.11Å; I313-Q316 PolarHBondContact O-N 3.03Å; I313-M317 WeakPolarHBondContact O-CB 3.35Å; I313-M317 PolarHBondContact O-N 3.3Å |
| 314 | T | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | E193 L196 L310 Q311 Q316 M317 I318 | E193-T314 HydrophobicContact CG-CG2 4.25Å; L196-T314 WeakPolarHBondContact CD1-OG1 3.4Å; L310-T314 WeakPolarHBondContact O-CB 3.3Å; L310-T314 PolarHBondContact O-N 3.02Å; L310-T314 PolarHBondContact O-OG1 3.4Å; Q311-T314 WeakPolarHBondContact O-CB 3.18Å; Q311-T314 PolarHBondContact O-N 3.4Å; Q311-T314 VanDerWaalsContact O-N 3.13Å; T314-Q316 VanDerWaalsContact C-N 3.35Å; T314-Q316 PolarHBondContact O-N 3.45Å; T314-M317 HydrophobicContact CG2-CE 4.31Å; T314-M317 WeakPolarHBondContact O-CB 3.45Å; T314-M317 PolarHBondContact O-N 3.35Å; T314-I318 HydrophobicContact CG2-CD1 3.88Å; T314-I318 HydrophobicContact CG2-CG1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.3Å; T314-I318 PolarHBondContact O-N 3.24Å |
| 315 | W | 96.9 | Very high | 95.4 | Very high | 182 Ų | 182 | 55.8 Ų | 55.8 | 69% | 0.689 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.8 | -46.9 | 175 | -80.1 | 108.7 | 0 | 0 | 0 | 112.1 | Q311 I313 M317 I318 E319 | Q311-W315 PolarHBondContact O-N 2.93Å; I313-W315 PolarHBondContact O-N 3.11Å; W315-M317 VanDerWaalsContact C-N 3.34Å; W315-M317 PolarHBondContact O-N 2.99Å; W315-I318 PolarHBondContact O-N 3.04Å; W315-E319 PolarHBondContact O-N 3.45Å |
| 316 | Q | 97.4 | Very high | 95 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177 | -171.8 | -178.9 | -0.1 | 0 | 0 | 111.5 | V230 S312 I313 T314 E319 Q320 | V230-Q316 HydrophobicContact CG2-CG 4.14Å; S312-Q316 PolarHBondContact O-N 2.94Å; I313-Q316 PolarHBondContact O-N 3.03Å; T314-Q316 VanDerWaalsContact C-N 3.35Å; T314-Q316 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 2.94Å; Q316-Q320 WeakPolarHBondContact O-CG 3.46Å; Q316-Q320 PolarHBondContact O-N 3.17Å |
| 317 | M | 96.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.8 | -179.1 | -168 | 72.9 | 0 | 0 | 111.6 | M158 L196 V230 I313 T314 W315 E319 Q320 L321 | M158-M317 HydrophobicContact CE-CE 4.33Å; M158-M317 HydrophobicContact CE-CG 3.98Å; M158-M317 HydrophobicContact CE-SD 3.37Å; M158-M317 WeakPolarHBondContact CE-SD 3.3Å; L196-M317 HydrophobicContact CD2-SD 3.51Å; L196-M317 VanDerWaalsContact CD2-SD 3.51Å; L196-M317 HydrophobicContact CG-SD 4.06Å; V230-M317 HydrophobicContact CG1-CB 4.02Å; V230-M317 HydrophobicContact CG1-CG 4.47Å; I313-M317 WeakPolarHBondContact O-CB 3.35Å; I313-M317 PolarHBondContact O-N 3.3Å; T314-M317 HydrophobicContact CG2-CE 4.31Å; T314-M317 WeakPolarHBondContact O-CB 3.45Å; T314-M317 PolarHBondContact O-N 3.35Å; W315-M317 VanDerWaalsContact C-N 3.34Å; W315-M317 PolarHBondContact O-N 2.99Å; M317-E319 VanDerWaalsContact C-N 3.35Å; M317-Q320 PolarHBondContact O-N 3.35Å; M317-L321 HydrophobicContact CG-CD1 4.29Å; M317-L321 WeakPolarHBondContact O-CG 3.15Å; M317-L321 PolarHBondContact O-N 2.98Å |
| 318 | I | 95.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.7 | -70 | 171.4 | 0 | 0 | 0 | 110.6 | T314 W315 Q320 L321 Q322 L341 | T314-I318 HydrophobicContact CG2-CD1 3.88Å; T314-I318 HydrophobicContact CG2-CG1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.3Å; T314-I318 PolarHBondContact O-N 3.24Å; W315-I318 PolarHBondContact O-N 3.04Å; I318-Q320 PolarHBondContact O-N 2.94Å; I318-L321 PolarHBondContact O-N 3.26Å; I318-Q322 HydrophobicContact CG2-CG 4.47Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.34Å; I318-L341 HydrophobicContact CG2-CD2 4Å |
| 319 | E | 93.3 | Very high | 92.9 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 175.6 | -175.9 | -176.3 | -158.3 | 0 | 0 | 111.6 | W315 Q316 M317 L321 Q322 F323 | W315-E319 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 2.94Å; M317-E319 VanDerWaalsContact C-N 3.35Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.17Å; E319-Q322 PolarHBondContact O-N 2.76Å; E319-F323 PolarHBondContact O-N 3.3Å |
| 320 | Q | 91.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.4 | -62.6 | -43.3 | -68.2 | 0 | 0 | 111.8 | V230 Q316 M317 I318 Q322 F323 I324 | V230-Q320 HydrophobicContact CG2-CG 3.94Å; Q316-Q320 WeakPolarHBondContact O-CG 3.46Å; Q316-Q320 PolarHBondContact O-N 3.17Å; M317-Q320 PolarHBondContact O-N 3.35Å; I318-Q320 PolarHBondContact O-N 2.94Å; Q320-Q322 VanDerWaalsContact C-N 3.35Å; Q320-Q322 PolarHBondContact O-N 2.74Å; Q320-F323 PolarHBondContact O-N 2.86Å; Q320-I324 WeakPolarHBondContact O-CB 3.32Å; Q320-I324 WeakPolarHBondContact O-CD1 3.29Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.29Å; Q320-I324 PolarHBondContact O-N 3.44Å |
| 321 | L | 91.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.9 | -75 | 171.3 | 0 | 0 | 0 | 112.3 | M158 M317 I318 E319 I324 K325 L340 L341 | M158-L321 HydrophobicContact CE-CD1 4.18Å; M158-L321 HydrophobicContact SD-CD1 3.89Å; M158-L321 HydrophobicContact SD-CD2 4.24Å; M317-L321 HydrophobicContact CG-CD1 4.29Å; M317-L321 WeakPolarHBondContact O-CG 3.15Å; M317-L321 PolarHBondContact O-N 2.98Å; I318-L321 PolarHBondContact O-N 3.26Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.17Å; L321-I324 PolarHBondContact O-N 3.08Å; L321-K325 WeakPolarHBondContact O-CB 3.41Å; L321-K325 PolarHBondContact O-N 2.93Å; L321-L340 HydrophobicContact CD1-CD1 4.12Å; L321-L341 HydrophobicContact CB-CD2 4.24Å |
| 322 | Q | 91.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 68.6 Ų | 68.6 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.8 | -72.1 | 177.6 | -12.4 | 0 | 0 | 111.6 | I318 E319 Q320 K325 L326 L341 | I318-Q322 HydrophobicContact CG2-CG 4.47Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.34Å; E319-Q322 PolarHBondContact O-N 2.76Å; Q320-Q322 VanDerWaalsContact C-N 3.35Å; Q320-Q322 PolarHBondContact O-N 2.74Å; Q322-K325 PolarHBondContact O-N 3.42Å; Q322-L326 WeakPolarHBondContact O-CB 3.37Å; Q322-L326 PolarHBondContact O-N 3.02Å; Q322-L341 HydrophobicContact CG-CD2 3.71Å |
| 323 | F | 90.3 | Very high | 90.4 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 176.2 | 179.5 | -99.1 | 0 | 0 | 0 | 112 | E319 Q320 K325 L326 C327 | E319-F323 PolarHBondContact O-N 3.3Å; Q320-F323 PolarHBondContact O-N 2.86Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 2.79Å; F323-L326 PolarHBondContact O-N 3.45Å; F323-L326 VanDerWaalsContact O-N 3.1Å; F323-C327 VanDerWaalsContact CZ-SG 3.54Å; F323-C327 PolarHBondContact O-N 3.2Å |
| 324 | I | 87.3 | Confident | 90.1 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 176.5 | -73.9 | 163.9 | 0 | 0 | 0 | 111.1 | V151 Q320 L321 G328 L329 A330 | V151-I324 HydrophobicContact CG1-CD1 3.92Å; V151-I324 HydrophobicContact CG1-CG1 4.48Å; V151-I324 HydrophobicContact CG1-CG2 3.71Å; Q320-I324 WeakPolarHBondContact O-CB 3.32Å; Q320-I324 WeakPolarHBondContact O-CD1 3.29Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.29Å; Q320-I324 PolarHBondContact O-N 3.44Å; L321-I324 PolarHBondContact O-N 3.08Å; I324-G328 PolarHBondContact O-N 3.2Å; I324-L329 HydrophobicContact CG2-CB 4.11Å; I324-L329 PolarHBondContact O-N 2.92Å; I324-A330 HydrophobicContact CG2-CB 3.84Å |
| 325 | K | 87.8 | Confident | 89.8 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 41% | 0.409 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.9 | -174.1 | -173.7 | 172.7 | -168.2 | 0 | 111.6 | L321 Q322 F323 C327 G328 I332 L341 | L321-K325 WeakPolarHBondContact O-CB 3.41Å; L321-K325 PolarHBondContact O-N 2.93Å; Q322-K325 PolarHBondContact O-N 3.42Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 2.79Å; K325-C327 VanDerWaalsContact C-N 3.33Å; K325-C327 PolarHBondContact O-N 3.33Å; K325-G328 PolarHBondContact O-N 3.5Å; K325-G328 VanDerWaalsContact O-N 3.15Å; K325-I332 HydrophobicContact CB-CG1 3.81Å; K325-I332 HydrophobicContact CD-CG1 4.26Å; K325-I332 HydrophobicContact CG-CG1 3.89Å; K325-L341 HydrophobicContact CD-CD1 3.93Å |
| 326 | L | 88.9 | Confident | 89.6 | Confident | 151 Ų | 151 | 68.7 Ų | 68.7 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.9 | -38.5 | -177.4 | -175.5 | 64.3 | 0 | 0 | 0 | 112 | Q322 F323 G328 | Q322-L326 WeakPolarHBondContact O-CB 3.37Å; Q322-L326 PolarHBondContact O-N 3.02Å; F323-L326 PolarHBondContact O-N 3.45Å; F323-L326 VanDerWaalsContact O-N 3.1Å; L326-G328 VanDerWaalsContact C-N 3.27Å; L326-G328 PolarHBondContact O-N 3.16Å |
| 327 | C | 87.9 | Confident | 89.3 | Confident | 66 Ų | 66 | 68 Ų | 68 | 45% | 0.446 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.5 | 177.1 | -66 | 0 | 0 | 0 | 0 | 113.8 | F323 K325 L329 | F323-C327 VanDerWaalsContact CZ-SG 3.54Å; F323-C327 PolarHBondContact O-N 3.2Å; K325-C327 VanDerWaalsContact C-N 3.33Å; K325-C327 PolarHBondContact O-N 3.33Å; C327-L329 VanDerWaalsContact C-N 3.25Å; C327-L329 HydrophobicContact CB-CD1 4.02Å; C327-L329 HydrophobicContact CB-CG 3.81Å; C327-L329 PolarHBondContact O-N 3.41Å |
| 328 | G | 83.6 | Confident | 89.1 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 22.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I324 K325 L326 A330 | I324-G328 PolarHBondContact O-N 3.2Å; K325-G328 PolarHBondContact O-N 3.5Å; K325-G328 VanDerWaalsContact O-N 3.15Å; L326-G328 VanDerWaalsContact C-N 3.27Å; L326-G328 PolarHBondContact O-N 3.16Å; G328-A330 VanDerWaalsContact C-N 3.31Å; G328-A330 PolarHBondContact O-N 2.95Å |
| 329 | L | 81 | Confident | 89 | Confident | 116 Ų | 116 | 71.3 Ų | 71.3 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -73.1 | -24.1 | -176.8 | -66.4 | 174 | 0 | 0 | 0 | 112.6 | I324 C327 | I324-L329 HydrophobicContact CG2-CB 4.11Å; I324-L329 PolarHBondContact O-N 2.92Å; C327-L329 VanDerWaalsContact C-N 3.25Å; C327-L329 HydrophobicContact CB-CD1 4.02Å; C327-L329 HydrophobicContact CB-CG 3.81Å; C327-L329 PolarHBondContact O-N 3.41Å |
| 330 | A | 81.6 | Confident | 88.9 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -149.5 | 154.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V151 I324 G328 I332 | V151-A330 HydrophobicContact CB-CB 4.43Å; V151-A330 HydrophobicContact CG1-CB 3.7Å; I324-A330 HydrophobicContact CG2-CB 3.84Å; G328-A330 VanDerWaalsContact C-N 3.31Å; G328-A330 PolarHBondContact O-N 2.95Å; A330-I332 PolarHBondContact O-N 3.25Å |
| 331 | K | 83.6 | Confident | 88.7 | Confident | 208 Ų | 208 | 66.4 Ų | 66.4 | 90% | 0.904 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -80 | 118.7 | 171.6 | -69.4 | -175.8 | 179.8 | 179.5 | 0 | 109.2 | ||
| 332 | I | 86.5 | Confident | 88.1 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 121.4 | 172.9 | -55.2 | -55.4 | 0 | 0 | 0 | 108.7 | K325 A330 L336 L341 | K325-I332 HydrophobicContact CB-CG1 3.81Å; K325-I332 HydrophobicContact CD-CG1 4.26Å; K325-I332 HydrophobicContact CG-CG1 3.89Å; A330-I332 PolarHBondContact O-N 3.25Å; I332-L336 HydrophobicContact CG2-CB 3.68Å; I332-L336 HydrophobicContact CG2-CD1 4.36Å; I332-L341 HydrophobicContact CG2-CD1 4.07Å |
| 333 | D | 89.4 | Confident | 86.6 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -65 | 153 | 176.4 | -175.4 | -102.1 | 0 | 0 | 0 | 111.9 | R159 L335 L336 Q337 | R159-D333 VanDerWaalsContact CD-CG 3.45Å; R159-D333 WeakPolarHBondContact CD-OD1 3.38Å; R159-D333 HydrophobicContact CG-CB 4.41Å; D333-L335 PolarHBondContact O-N 3.04Å; D333-L335 VanDerWaalsContact OD1-CB 3.23Å; D333-L335 WeakPolarHBondContact OD1-CB 3.45Å; D333-L335 PolarHBondContact OD1-N 2.95Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.48Å; D333-L336 WeakPolarHBondContact O-CB 3.44Å; D333-L336 PolarHBondContact O-N 3.09Å; D333-L336 VanDerWaalsContact O-N 3.13Å; D333-Q337 PolarHBondContact O-N 3.3Å |
| 334 | N | 91.1 | Very high | 84.2 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 66% | 0.663 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.7 | -35.2 | 180 | -68.1 | -23.2 | 0 | 0 | 0 | 112.3 | Q337 E338 | N334-Q337 WeakPolarHBondContact O-CB 3.31Å; N334-Q337 PolarHBondContact O-N 2.92Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.97Å |
| 335 | L | 92.4 | Very high | 81.8 | Confident | 42 Ų | 42 | 72 Ų | 72 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.5 | -174.8 | 65.3 | 0 | 0 | 0 | 111.5 | R159 L162 L163 D333 Q337 E338 M339 | R159-L335 HydrophobicContact CG-CD2 4.19Å; L162-L335 HydrophobicContact CB-CD2 3.92Å; L162-L335 HydrophobicContact CB-CG 4.41Å; L162-L335 HydrophobicContact CD1-CD2 4.48Å; L162-L335 HydrophobicContact CD1-CG 4.23Å; L163-L335 HydrophobicContact CD2-CD2 3.76Å; L163-L335 HydrophobicContact CG-CD2 3.94Å; D333-L335 PolarHBondContact O-N 3.04Å; D333-L335 VanDerWaalsContact OD1-CB 3.23Å; D333-L335 WeakPolarHBondContact OD1-CB 3.45Å; D333-L335 PolarHBondContact OD1-N 2.95Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.21Å; L335-E338 PolarHBondContact O-N 2.94Å; L335-M339 HydrophobicContact CD1-CG 4.05Å; L335-M339 HydrophobicContact CD1-SD 3.54Å; L335-M339 VanDerWaalsContact CD1-SD 3.54Å; L335-M339 HydrophobicContact CG-CG 4.49Å; L335-M339 HydrophobicContact CG-SD 3.94Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 WeakPolarHBondContact O-CG 3.19Å; L335-M339 PolarHBondContact O-N 3.36Å |
| 336 | L | 92.4 | Very high | 79.2 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.1 | -68.8 | 167.9 | 0 | 0 | 0 | 111 | C155 M158 R159 L162 I332 D333 L340 L341 | C155-L336 HydrophobicContact CB-CD1 4.09Å; M158-L336 HydrophobicContact CB-CD2 3.54Å; R159-L336 HydrophobicContact CB-CD1 4.41Å; R159-L336 HydrophobicContact CB-CG 4.37Å; L162-L336 HydrophobicContact CD1-CD2 3.71Å; I332-L336 HydrophobicContact CG2-CB 3.68Å; I332-L336 HydrophobicContact CG2-CD1 4.36Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.48Å; D333-L336 WeakPolarHBondContact O-CB 3.44Å; D333-L336 PolarHBondContact O-N 3.09Å; D333-L336 VanDerWaalsContact O-N 3.13Å; L336-L340 HydrophobicContact CD2-CD1 3.66Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 2.96Å; L336-L341 PolarHBondContact O-N 2.99Å |
| 337 | Q | 91.9 | Very high | 76.4 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 13% | 0.131 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59 | -52.5 | 175.1 | -178.4 | 60.3 | 42.9 | 0 | 0 | 110.9 | D333 N334 L335 M339 L341 G342 | D333-Q337 PolarHBondContact O-N 3.3Å; N334-Q337 WeakPolarHBondContact O-CB 3.31Å; N334-Q337 PolarHBondContact O-N 2.92Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.21Å; Q337-M339 PolarHBondContact O-N 3.11Å; Q337-L341 CarbonylContact O-C 3.31Å; Q337-L341 PolarHBondContact O-N 2.73Å; Q337-L341 VanDerWaalsContact O-N 3.15Å; Q337-G342 PolarHBondContact NE2-O 2.98Å; Q337-G342 CarbonylContact O-C 3.56Å; Q337-G342 VanDerWaalsContact O-C 3.31Å; Q337-G342 PolarHBondContact O-N 3.32Å; Q337-G342 VanDerWaalsContact O-N 3.1Å |
| 338 | E | 91.6 | Very high | 73.6 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | -176.2 | -74 | -173.5 | -156.6 | 0 | 0 | 113.8 | R188 N334 L335 | R188-E338 IonicContact NH2-OE2 3.6Å; R188-E338 PolarHBondContact NH2-OE2 3.31Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.97Å; L335-E338 PolarHBondContact O-N 2.94Å |
| 339 | M | 93.6 | Very high | 71.1 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.079 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -92.3 | -27.4 | -174 | -65 | -171.4 | 76.7 | 0 | 0 | 114.2 | L162 L165 L187 R188 A191 L335 Q337 | L162-M339 HydrophobicContact CB-SD 3.93Å; L162-M339 HydrophobicContact CD1-CB 4Å; L162-M339 HydrophobicContact CD1-CG 4.46Å; L162-M339 HydrophobicContact CD1-SD 3.9Å; L162-M339 HydrophobicContact CD2-CB 4.47Å; L162-M339 HydrophobicContact CD2-CE 3.94Å; L162-M339 HydrophobicContact CD2-SD 4.02Å; L162-M339 HydrophobicContact CG-SD 4.16Å; L165-M339 HydrophobicContact CD2-CE 4.4Å; L187-M339 HydrophobicContact CB-CE 4.23Å; L187-M339 WeakPolarHBondContact O-CE 3.24Å; R188-M339 HydrophobicContact CG-CG 4.48Å; A191-M339 HydrophobicContact CB-CB 4.04Å; A191-M339 HydrophobicContact CB-CE 4.1Å; A191-M339 WeakPolarHBondContact CB-O 3.45Å; L335-M339 HydrophobicContact CD1-CG 4.05Å; L335-M339 HydrophobicContact CD1-SD 3.54Å; L335-M339 VanDerWaalsContact CD1-SD 3.54Å; L335-M339 HydrophobicContact CG-CG 4.49Å; L335-M339 HydrophobicContact CG-SD 3.94Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 WeakPolarHBondContact O-CG 3.19Å; L335-M339 PolarHBondContact O-N 3.36Å; Q337-M339 PolarHBondContact O-N 3.11Å |
| 340 | L | 92.1 | Very high | 68.8 | Low | 17 Ų | 17 | 79 Ų | 79 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -115.7 | -40.1 | -174.9 | -57.8 | 176.6 | 0 | 0 | 0 | 113.6 | A191 L195 L321 L336 | A191-L340 HydrophobicContact CB-CD2 3.78Å; L195-L340 HydrophobicContact CD1-CD1 3.89Å; L195-L340 HydrophobicContact CD1-CD2 4.1Å; L321-L340 HydrophobicContact CD1-CD1 4.12Å; L336-L340 HydrophobicContact CD2-CD1 3.66Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 2.96Å |
| 341 | L | 87.1 | Confident | 66.4 | Low | 29 Ų | 29 | 84.6 Ų | 84.6 | 15% | 0.152 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -101.4 | 3.6 | -170.4 | -54.4 | -172.6 | 0 | 0 | 0 | 113.1 | I318 L321 Q322 K325 I332 L336 Q337 | I318-L341 HydrophobicContact CG2-CD2 4Å; L321-L341 HydrophobicContact CB-CD2 4.24Å; Q322-L341 HydrophobicContact CG-CD2 3.71Å; K325-L341 HydrophobicContact CD-CD1 3.93Å; I332-L341 HydrophobicContact CG2-CD1 4.07Å; L336-L341 PolarHBondContact O-N 2.99Å; Q337-L341 CarbonylContact O-C 3.31Å; Q337-L341 PolarHBondContact O-N 2.73Å; Q337-L341 VanDerWaalsContact O-N 3.15Å |
| 342 | G | 78.1 | Confident | 64.1 | Low | 39 Ų | 39 | 82.8 Ų | 82.8 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | trans | 80.7 | 142.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q337 | Q337-G342 PolarHBondContact NE2-O 2.98Å; Q337-G342 CarbonylContact O-C 3.56Å; Q337-G342 VanDerWaalsContact O-C 3.31Å; Q337-G342 PolarHBondContact O-N 3.32Å; Q337-G342 VanDerWaalsContact O-N 3.1Å | ||
| 343 | G | 59.8 | Low | 61.4 | Low | 38 Ų | 38 | 89.5 Ų | 89.5 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | trans | -60.4 | 152.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | T345 | G343-T345 PolarHBondContact O-N 2.93Š| ||
| 344 | L | 40.9 | Very low | 58.6 | Low | 156 Ų | 156 | 89.7 Ų | 89.7 | 82% | 0.817 | 50% | 0.503 | S | S | * | . | trans | -63.3 | 82.4 | 157.6 | -72.7 | 169 | 0 | 0 | 0 | 107 | T346 | L344-T346 PolarHBondContact O-N 3.25Š| ||
| 345 | T | 36 | Very low | 55.7 | Low | 111 Ų | 111 | 88.3 Ų | 88.3 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -67 | 99.1 | 160.7 | 51.9 | 0 | 0 | 0 | 0 | 105.5 | G343 E347 | G343-T345 PolarHBondContact O-N 2.93Å; T345-E347 PolarHBondContact O-N 3.35Å | ||
| 346 | T | 33.2 | Very low | 52.9 | Low | 134 Ų | 134 | 93.7 Ų | 93.7 | 82% | 0.822 | 53% | 0.532 | S | S | * | . | trans | -58.1 | 68.2 | 141.8 | 42.4 | 0 | 0 | 0 | 0 | 107.8 | L344 S348 | L344-T346 PolarHBondContact O-N 3.25Å; T346-S348 PolarHBondContact O-N 3.04Å | ||
| 347 | E | 31.1 | Very low | 50.2 | Low | 146 Ų | 146 | 99.2 Ų | 99.2 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | trans | -81.2 | 88.2 | 148 | -74 | -153 | 168.8 | 0 | 0 | 105 | T345 S349 | T345-E347 PolarHBondContact O-N 3.35Å; E347-S349 PolarHBondContact O-N 3.47Å | ||
| 348 | S | 29.4 | Very low | 47.6 | Very low | 108 Ų | 108 | 105.3 Ų | 105.3 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | trans | -63.1 | 69.6 | 142.5 | -60.1 | 0 | 0 | 0 | 0 | 107 | T346 H350 | T346-S348 PolarHBondContact O-N 3.04Å; S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 2.74Å | ||
| 349 | S | 29.7 | Very low | 44.9 | Very low | 72 Ų | 72 | 107.3 Ų | 107.3 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | trans | -66.1 | 102.4 | 159.8 | 46 | 0 | 0 | 0 | 0 | 105.3 | E347 L351 | E347-S349 PolarHBondContact O-N 3.47Å; S349-L351 PolarHBondContact O-N 2.91Å | ||
| 350 | H | 33.8 | Very low | 42.3 | Very low | 174 Ų | 174 | 111.6 Ų | 111.6 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | trans | -55.7 | 80.4 | 152.4 | -82.5 | -87.1 | 0 | 0 | 0 | 108 | S348 | S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 2.74Å | ||
| 351 | L | 30.4 | Very low | 39.8 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | trans | -116.3 | 99.7 | 151.7 | -91.9 | 92.5 | 0 | 0 | 0 | 105.9 | S349 H353 | S349-L351 PolarHBondContact O-N 2.91Å; L351-H353 VanDerWaalsContact C-N 3.27Å; L351-H353 PolarHBondContact O-N 3.49Å | ||
| 352 | H | 35.8 | Very low | 37.3 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 97.2 | 156.7 | -84.3 | -87.3 | 0 | 0 | 0 | 108.1 | ||||
| 353 | H | 29.2 | Very low | 35.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -129.3 | 78.1 | 152.3 | -98.4 | 36.3 | 0 | 0 | 0 | 107.5 | L351 A355 | L351-H353 VanDerWaalsContact C-N 3.27Å; L351-H353 PolarHBondContact O-N 3.49Å; H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.42Å | ||
| 354 | A | 30.3 | Very low | 35.5 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | trans | -69.5 | 95.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107 | H356 | A354-H356 PolarHBondContact O-N 2.95Š| ||
| 355 | A | 30.6 | Very low | 36.4 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | trans | -68.8 | 80.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | H353 T357 | H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.42Å; A355-T357 PolarHBondContact O-N 3.43Å; A355-T357 VanDerWaalsContact O-N 3.09Å | ||
| 356 | H | 34.7 | Very low | 37 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | -68.1 | 103 | 165.1 | -92 | -68.2 | 0 | 0 | 0 | 107.6 | A354 Q358 | A354-H356 PolarHBondContact O-N 2.95Å; H356-Q358 VanDerWaalsContact C-N 3.33Å; H356-Q358 PolarHBondContact O-N 3.09Å | ||
| 357 | T | 35.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -68.5 | 95.6 | 160 | -25 | 0 | 0 | 0 | 0 | 106.6 | A355 L359 | A355-T357 PolarHBondContact O-N 3.43Å; A355-T357 VanDerWaalsContact O-N 3.09Å; T357-L359 PolarHBondContact O-N 3.46Å | ||
| 358 | Q | 36.9 | Very low | 37.9 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | trans | -81 | 112 | 171.9 | -78.8 | -169.7 | -18.6 | 0 | 0 | 109.1 | H356 | H356-Q358 VanDerWaalsContact C-N 3.33Å; H356-Q358 PolarHBondContact O-N 3.09Å | ||
| 359 | L | 35.5 | Very low | 38.6 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | trans | -85.3 | 113.3 | 160.7 | -81.8 | 151.1 | 0 | 0 | 0 | 107.4 | T357 T368 | T357-L359 PolarHBondContact O-N 3.46Å; L359-T368 HydrophobicContact CD2-CG2 3.43Å; L359-T368 VanDerWaalsContact CD2-CG2 3.43Å | ||
| 360 | T | 39.3 | Very low | 39.1 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | -114 | 133.4 | 168.2 | 40.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 361 | Q | 39.2 | Very low | 39.5 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | B | Isolated β-bridge | trans | -95.5 | 124.9 | 179.3 | -138.2 | 172.1 | 1.3 | 0 | 0 | 108.2 | ||
| 362 | D | 34.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | trans | -83.5 | 120.4 | -178 | -148.3 | -6.7 | 0 | 0 | 0 | 110.2 | V364 | D362-V364 PolarHBondContact O-N 2.97Š| ||
| 363 | H | 46.7 | Very low | 39.6 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 13.7 | -164.1 | -89.6 | -61.7 | 0 | 0 | 0 | 115.8 | ||
| 364 | V | 53 | Low | 39.8 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -20.9 | -178.7 | -174.4 | 0 | 0 | 0 | 0 | 113.9 | D362 | D362-V364 PolarHBondContact O-N 2.97Š|
| 365 | T | 60.2 | Low | 40 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | -2.5 | -175.8 | 46.1 | 0 | 0 | 0 | 0 | 115.9 | H367 | T365-H367 PolarHBondContact O-N 3.35Š|
| 366 | G | 47.1 | Very low | 40.1 | Very low | 55 Ų | 55 | 127 Ų | 127 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | trans | 73.3 | 12.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 367 | H | 44 | Very low | 40 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -104.4 | 143.8 | 173.7 | -75.9 | -74.1 | 0 | 0 | 0 | 112.6 | T365 | T365-H367 PolarHBondContact O-N 3.35Š| ||
| 368 | T | 41.3 | Very low | 39.6 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 49% | 0.485 | 73% | 0.732 | S | S | . | * | B | Isolated β-bridge | trans | -99.6 | 129.6 | -179.9 | -49.6 | 0 | 0 | 0 | 0 | 110.7 | L359 | L359-T368 HydrophobicContact CD2-CG2 3.43Å; L359-T368 VanDerWaalsContact CD2-CG2 3.43Å |
| 369 | L | 43.8 | Very low | 39.2 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -122.6 | 147.3 | 176.6 | -72.8 | 170.6 | 0 | 0 | 0 | 111.4 | ||||
| 370 | V | 39.5 | Very low | 39 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | trans | -105.7 | 125.2 | 178 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 371 | I | 41.3 | Very low | 38.6 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -112.9 | 128.6 | 178 | -58.4 | 175.4 | 0 | 0 | 0 | 109.2 | ||||
| 372 | S | 31.1 | Very low | 38.2 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -112.1 | 128.1 | 173.9 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 373 | T | 37.3 | Very low | 38 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -112.7 | 128.6 | 174.7 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 374 | M | 34 | Very low | 37.2 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 136.7 | 173.8 | -68.1 | -72.7 | 140.2 | 0 | 0 | 110.1 | ||
| 375 | P | 33.6 | Very low | 36.2 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 141.7 | 175.6 | 30.5 | -23 | 0 | 0 | 0 | 113.1 | ||
| 376 | A | 34.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 140.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 377 | A | 31.4 | Very low | 34.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 132.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 378 | Q | 27.8 | Very low | 34 | Very low | 199 Ų | 199 | 134.8 Ų | 134.8 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 141.7 | 172.5 | -71.2 | 172.1 | -40.3 | 0 | 0 | 110.8 | ||
| 379 | V | 27.7 | Very low | 34 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 136.2 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 380 | P | 31.7 | Very low | 33.5 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 141 | 171.6 | 2 | 16.5 | 0 | 0 | 0 | 112.9 | ||
| 381 | Q | 31.9 | Very low | 33.4 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 132.5 | 178.6 | -71.2 | 175 | -44.6 | 0 | 0 | 113.4 | ||
| 382 | I | 29.7 | Very low | 33.4 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -141.1 | 141.1 | 152.7 | -63.2 | -176.7 | 0 | 0 | 0 | 108.7 | ||||
| 383 | A | 30.7 | Very low | 33.7 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 149.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 384 | S | 30.7 | Very low | 33.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 152.2 | 176.5 | -50.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 385 | P | 31.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 145.3 | 149.1 | 30.7 | -19.1 | 0 | 0 | 0 | 111.6 | ||
| 386 | E | 40.4 | Very low | 34.2 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.7 | -174.9 | -64 | 175.2 | 120.8 | 0 | 0 | 114 | ||
| 387 | T | 31.4 | Very low | 33.9 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -153.9 | 154.9 | 151.3 | 26.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 388 | P | 32.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 158.5 | -145.7 | 34.6 | -35.1 | 0 | 0 | 0 | 116.3 | ||
| 389 | I | 41.3 | Very low | 34 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 82% | 0.821 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.9 | -176.3 | -59.2 | 164.4 | 0 | 0 | 0 | 111.9 | ||
| 390 | P | 32.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 141.2 | 159 | 31.9 | -22.9 | 0 | 0 | 0 | 112 | ||
| 391 | S | 36.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74 | 160.3 | -174.7 | -52.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 392 | P | 41.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 167 | -171.2 | 34 | -34.2 | 0 | 0 | 0 | 114.5 | ||
| 393 | P | 36.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 142.7 | -167.5 | 33.3 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 394 | Q | 34.9 | Very low | 34.3 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -105 | 129.1 | 164.1 | -71 | -177.1 | -20.7 | 0 | 0 | 109.1 | ||||
| 395 | G | 36.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -84.1 | -169.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 396 | P | 44.1 | Very low | 35 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -114.9 | 144.2 | -67.2 | 34.9 | -25.9 | 0 | 0 | 0 | 110.6 | |||||
| 397 | T | 28.4 | Very low | 34.8 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -145.1 | 118.5 | 164.7 | 42.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 398 | T | 30.2 | Very low | 35.1 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | 45.8 | 104.4 | 144.1 | -33.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 399 | E | 31.3 | Very low | 35.3 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | trans | -68.9 | 134.1 | 166.1 | -67.4 | -170.2 | 139 | 0 | 0 | 112.9 | Y401 | E399-Y401 HydrophobicContact CB-CD2 4.41Š| ||
| 400 | M | 31.6 | Very low | 35.7 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -123.5 | 92.7 | 155.3 | -86.9 | -159.4 | 68.2 | 0 | 0 | 108.8 | ||||
| 401 | Y | 32.6 | Very low | 36.2 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 121 | 169.7 | -92.9 | -83.7 | 0 | 0 | 0 | 111.1 | E399 | E399-Y401 HydrophobicContact CB-CD2 4.41Š|
| 402 | K | 31.7 | Very low | 36.4 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.2 | 165.8 | -79.3 | 178.2 | 175.8 | 175.7 | 0 | 109.8 | ||
| 403 | H | 31.3 | Very low | 36.4 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139 | 171.3 | -93.1 | 40 | 0 | 0 | 0 | 112.7 | ||
| 404 | F | 31.4 | Very low | 36.6 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -129.6 | 136.9 | 149.8 | -90.6 | -82.5 | 0 | 0 | 0 | 109.1 | ||||
| 405 | P | 37.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 138.8 | -167.7 | 31.2 | -32.5 | 0 | 0 | 0 | 113.2 | ||
| 406 | Q | 38.6 | Very low | 36.7 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 150.6 | 165 | -84.9 | -170.6 | -33.6 | 0 | 0 | 111.4 | ||
| 407 | P | 36.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 135.6 | 175.6 | 30.4 | -30.5 | 0 | 0 | 0 | 112.1 | ||
| 408 | H | 37.7 | Very low | 37.1 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.6 | 179.5 | -71.9 | -83.2 | 0 | 0 | 0 | 112.8 | ||
| 409 | C | 37.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 139.5 | 156.1 | -93.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 410 | P | 49.5 | Very low | 38.1 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 155.4 | 175.5 | 33.2 | -31.3 | 0 | 0 | 0 | 112 | ||
| 411 | P | 43.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 148.8 | -174.9 | 31.1 | -33.3 | 0 | 0 | 0 | 113.1 | ||
| 412 | A | 40.1 | Very low | 39.6 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 413 | S | 43 | Very low | 40 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 149.6 | 171.4 | -33.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 414 | P | 40.4 | Very low | 40.5 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 84% | 0.844 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 143.9 | -179.2 | 29.9 | -32.2 | 0 | 0 | 0 | 112.4 | ||
| 415 | S | 36.6 | Very low | 41 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.3 | 178.2 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 416 | S | 36.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 121.3 | 167.2 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 417 | S | 40.7 | Very low | 41.4 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -59 | 123.3 | 163.6 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 418 | T | 40.3 | Very low | 41.6 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 87% | 0.865 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 117.9 | 159.3 | 22.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 419 | Q | 38.8 | Very low | 41.9 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.9 | 171.3 | -80.1 | 165.7 | -43.6 | 0 | 0 | 111.9 | ||
| 420 | T | 43.6 | Very low | 42.3 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 71% | 0.712 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 150.9 | 154.4 | 41 | 0 | 0 | 0 | 0 | 110.9 | ||
| 421 | D | 39.2 | Very low | 41.7 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 85% | 0.851 | S | S | * | * | trans | 94.9 | 152.1 | 152.1 | -54.7 | -31.5 | 0 | 0 | 0 | 119.7 | ||||
| 422 | P | 57.6 | Low | 41.5 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 100% | 1.266 | 86% | 0.855 | S | S | * | * | cis | -116.9 | 0 | -1.9 | 34.7 | -18.8 | 0 | 0 | 0 | 115.9 |
Retrieved 422 of 422 residues in 750.5 ms
(Link to these results)