| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.6 | Very low | 42.5 | Very low | 246 Ų | 246 | 137.4 Ų | 137.4 | 100% | 1.212 | 85% | 0.846 | S | S | * | * | 0 | 116.9 | 0 | -76.5 | 179.4 | 172.9 | 0 | 0 | 107.5 | |||||
| 2 | T | 35.2 | Very low | 42.5 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 91% | 0.914 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 124.9 | -162.9 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 3 | S | 47.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 116.1 | 166.7 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 4 | A | 44.5 | Very low | 45.1 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 141.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 5 | C | 41 | Very low | 47.4 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.5 | 165.3 | -81 | 0 | 0 | 0 | 0 | 111.8 | A7 | C5-A7 PolarHBondContact O-N 2.83Š|
| 6 | P | 41.7 | Very low | 50 | Low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 135.1 | 175.2 | 29.8 | -33.3 | 0 | 0 | 0 | 110.5 | ||
| 7 | A | 40.5 | Very low | 52.4 | Low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C5 V9 | C5-A7 PolarHBondContact O-N 2.83Å; A7-V9 PolarHBondContact O-N 3.38Å |
| 8 | K | 42.1 | Very low | 54.5 | Low | 203 Ų | 203 | 129.4 Ų | 129.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.8 | 165.5 | -74.7 | 177 | 174.5 | 178.6 | 0 | 109.2 | A10 | K8-A10 PolarHBondContact O-N 2.96Š|
| 9 | V | 44.1 | Very low | 56.4 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -70.4 | 82.9 | 160.2 | -179 | 0 | 0 | 0 | 0 | 107.1 | A7 N11 | A7-V9 PolarHBondContact O-N 3.38Å; V9-N11 VanDerWaalsContact C-N 3.3Å; V9-N11 PolarHBondContact O-N 3.29Å | ||
| 10 | A | 39.6 | Very low | 58.2 | Low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -82.7 | 81.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | K8 A12 | K8-A10 PolarHBondContact O-N 2.96Å; A10-A12 PolarHBondContact O-N 3.29Å | ||
| 11 | N | 44 | Very low | 59.8 | Low | 140 Ų | 140 | 127.8 Ų | 127.8 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -65.1 | 124.8 | 169.6 | -98.1 | -15.6 | 0 | 0 | 0 | 108.7 | V9 A13 | V9-N11 VanDerWaalsContact C-N 3.3Å; V9-N11 PolarHBondContact O-N 3.29Å; N11-A13 PolarHBondContact O-N 2.89Å | ||
| 12 | A | 43.3 | Very low | 62 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | trans | -66.6 | 66.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A10 | A10-A12 PolarHBondContact O-N 3.29Š| ||
| 13 | A | 55.5 | Low | 64.7 | Low | 85 Ų | 85 | 118.7 Ų | 118.7 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 124.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N11 E15 | N11-A13 PolarHBondContact O-N 2.89Å; A13-E15 PolarHBondContact O-N 3.42Å |
| 14 | V | 65.8 | Low | 67 | Low | 141 Ų | 141 | 115.1 Ų | 115.1 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 127.9 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R16 | V14-R16 PolarHBondContact O-N 3.33Š|
| 15 | E | 79.9 | Confident | 69.4 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136 | -178.4 | -164.8 | -177.6 | -169.1 | 0 | 0 | 110.2 | A13 V17 K19 | A13-E15 PolarHBondContact O-N 3.42Å; E15-V17 PolarHBondContact O-N 2.91Å; E15-K19 WeakPolarHBondContact OE1-CE 3.41Å; E15-K19 IonicContact OE1-NZ 2.92Å; E15-K19 PolarHBondContact OE1-NZ 3.26Å; E15-K19 WeakPolarHBondContact OE2-CE 3.35Å; E15-K19 IonicContact OE2-NZ 2.61Å; E15-K19 PolarHBondContact OE2-NZ 3.45Å |
| 16 | R | 88.7 | Confident | 71.9 | Confident | 93 Ų | 93 | 115.8 Ų | 115.8 | 35% | 0.351 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -53 | 126.5 | -177.7 | -176.9 | -179.7 | -178.8 | -148.1 | 6.3 | 111 | V14 K19 V21 P22 L23 | V14-R16 PolarHBondContact O-N 3.33Å; R16-K19 VanDerWaalsContact O-CG 3.3Å; R16-K19 WeakPolarHBondContact O-CG 3.27Å; R16-V21 PolarHBondContact NH1-O 3.32Å; R16-V21 PolarHBondContact NH2-O 3.37Å; R16-P22 PolarHBondContact NH2-O 3.47Å; R16-L23 VanDerWaalsContact NH1-CG 3.29Å |
| 17 | V | 91 | Very high | 74.4 | Confident | 130 Ų | 130 | 115.9 Ų | 115.9 | 79% | 0.788 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -62.2 | -53.6 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E15 K19 | E15-V17 PolarHBondContact O-N 2.91Å; V17-K19 PolarHBondContact O-N 3.12Å |
| 18 | M | 89.6 | Confident | 77.1 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 61% | 0.611 | 63% | 0.634 | S | S | * | * | trans | -94.3 | 77.9 | -177 | -62.3 | -58.3 | -75.1 | 0 | 0 | 111.6 | N20 V21 | M18-N20 VanDerWaalsContact C-N 3.28Å; M18-N20 PolarHBondContact O-N 3.44Å; M18-V21 HydrophobicContact CB-CG2 4.03Å; M18-V21 PolarHBondContact O-N 2.93Å | ||
| 19 | K | 90.2 | Very high | 79.8 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 53% | 0.526 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | -26.7 | -177.6 | -57.8 | -176.1 | -168.3 | -178.6 | 0 | 114 | E15 R16 V17 | E15-K19 WeakPolarHBondContact OE1-CE 3.41Å; E15-K19 IonicContact OE1-NZ 2.92Å; E15-K19 PolarHBondContact OE1-NZ 3.26Å; E15-K19 WeakPolarHBondContact OE2-CE 3.35Å; E15-K19 IonicContact OE2-NZ 2.61Å; E15-K19 PolarHBondContact OE2-NZ 3.45Å; R16-K19 VanDerWaalsContact O-CG 3.3Å; R16-K19 WeakPolarHBondContact O-CG 3.27Å; V17-K19 PolarHBondContact O-N 3.12Å |
| 20 | N | 92.7 | Very high | 82.4 | Confident | 160 Ų | 160 | 104.9 Ų | 104.9 | 86% | 0.856 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -13.7 | -176.5 | -64.3 | -10.7 | 0 | 0 | 0 | 113.9 | M18 | M18-N20 VanDerWaalsContact C-N 3.28Å; M18-N20 PolarHBondContact O-N 3.44Å |
| 21 | V | 91.5 | Very high | 85.1 | Confident | 73 Ų | 73 | 103.5 Ų | 103.5 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -81.1 | 124.5 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | R16 M18 | R16-V21 PolarHBondContact NH1-O 3.32Å; R16-V21 PolarHBondContact NH2-O 3.37Å; M18-V21 HydrophobicContact CB-CG2 4.03Å; M18-V21 PolarHBondContact O-N 2.93Å |
| 22 | P | 93 | Very high | 87.7 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 69% | 0.688 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 150 | 176.6 | -27.2 | 36.3 | 0 | 0 | 0 | 112.5 | R16 | R16-P22 PolarHBondContact NH2-O 3.47Š|
| 23 | L | 92.9 | Very high | 90.3 | Very high | 98 Ų | 98 | 98.6 Ų | 98.6 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 135.7 | 169.8 | -75.8 | 171.5 | 0 | 0 | 0 | 109.1 | R16 | R16-L23 VanDerWaalsContact NH1-CG 3.29Š|
| 24 | P | 95.5 | Very high | 92.3 | Very high | 51 Ų | 51 | 94.6 Ų | 94.6 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 137.2 | 164.1 | -26.5 | 36.1 | 0 | 0 | 0 | 111 | F26 K53 E54 | P24-F26 PolarHBondContact O-N 3.36Å; P24-K53 WeakPolarHBondContact CA-O 2.87Å; P24-E54 HydrophobicContact CB-CB 4.01Å; P24-E54 HydrophobicContact CG-CB 4.08Å |
| 25 | P | 95.7 | Very high | 93.8 | Very high | 44 Ų | 44 | 88.1 Ų | 88.1 | 29% | 0.286 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 125.4 | 177.5 | 28.8 | -31.6 | 0 | 0 | 0 | 109.5 | Q27 K53 G55 | P25-Q27 VanDerWaalsContact C-N 3.33Å; P25-K53 WeakPolarHBondContact CD-O 3.23Å; P25-K53 HydrophobicContact CG-CB 4.4Å; P25-G55 VanDerWaalsContact CG-CA 3.4Å |
| 26 | F | 92.1 | Very high | 94.6 | Very high | 183 Ų | 183 | 84 Ų | 84 | 80% | 0.803 | 43% | 0.425 | S | S | * | . | trans | -71.5 | -28 | -179.8 | -57.9 | -81 | 0 | 0 | 0 | 113.1 | P24 | P24-F26 PolarHBondContact O-N 3.36Š| ||
| 27 | Q | 95.1 | Very high | 94.9 | Very high | 129 Ų | 129 | 89.1 Ų | 89.1 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -80.3 | 130.1 | -178.2 | -177.5 | 172.4 | -7.4 | 0 | 0 | 110.6 | P25 | P25-Q27 VanDerWaalsContact C-N 3.33Š|
| 28 | R | 97.9 | Very high | 95 | Very high | 83 Ų | 83 | 92.7 Ų | 92.7 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 132 | 170.9 | -64.1 | -172.4 | -175.8 | -162.3 | 2.8 | 110.8 | R56 D58 | R28-R56 WeakPolarHBondContact CA-O 3.44Å; R28-R56 HydrophobicContact CG-CB 4.22Å; R28-D58 VanDerWaalsContact CB-OD1 3.26Å; R28-D58 WeakPolarHBondContact CB-OD1 3.29Å |
| 29 | L | 98.2 | Very high | 95.3 | Very high | 20 Ų | 20 | 89.9 Ų | 89.9 | 11% | 0.105 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 135.2 | 175.9 | -62.4 | -179.6 | 0 | 0 | 0 | 110.9 | E33 V34 V46 H50 R56 I57 D58 | L29-E33 WeakPolarHBondContact CA-OE2 3.3Å; L29-E33 HydrophobicContact CB-CB 4.21Å; L29-E33 HydrophobicContact CD2-CB 4.27Å; L29-V34 HydrophobicContact CB-CG2 3.77Å; L29-V34 HydrophobicContact CD1-CG2 4.22Å; L29-V46 HydrophobicContact CD1-CG1 3.82Å; L29-H50 HydrophobicContact CD1-CB 3.71Å; L29-H50 VanDerWaalsContact CD1-CG 3.5Å; L29-R56 PolarHBondContact N-O 2.95Å; L29-I57 HydrophobicContact CB-CG2 4.08Å; L29-I57 HydrophobicContact CD1-CG2 4.39Å; L29-D58 PolarHBondContact O-N 3.27Å |
| 30 | K | 98 | Very high | 95.6 | Very high | 87 Ų | 87 | 88.7 Ų | 88.7 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 170.7 | 179.4 | -56.1 | -53.1 | -174.5 | -175.4 | 0 | 111.9 | D32 E33 V34 D58 | K30-D32 VanDerWaalsContact C-N 3.32Å; K30-D32 PolarHBondContact O-N 2.76Å; K30-E33 PolarHBondContact N-OE2 3.04Å; K30-E33 WeakPolarHBondContact O-CB 3.38Å; K30-E33 PolarHBondContact O-N 2.94Å; K30-V34 PolarHBondContact O-N 3.5Å; K30-D58 VanDerWaalsContact CD-CG 3.48Å; K30-D58 WeakPolarHBondContact CD-OD2 3.45Å; K30-D58 WeakPolarHBondContact CE-OD2 3.4Å; K30-D58 IonicContact NZ-OD1 3.76Å; K30-D58 PolarHBondContact NZ-OD1 2.68Å; K30-D58 IonicContact NZ-OD2 3.08Å; K30-D58 PolarHBondContact NZ-OD2 3.22Å |
| 31 | M | 97.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 84.9 Ų | 84.9 | 30% | 0.3 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.8 | -43.5 | -175.9 | -172.2 | 64.6 | 71.5 | 0 | 0 | 112.9 | E33 V34 Y35 V61 R64 | M31-E33 VanDerWaalsContact C-N 3.27Å; M31-E33 PolarHBondContact O-N 3.2Å; M31-V34 PolarHBondContact O-N 2.96Å; M31-Y35 WeakPolarHBondContact O-CB 3.33Å; M31-Y35 PolarHBondContact O-N 3.45Å; M31-Y35 HydrophobicContact SD-CD2 3.43Å; M31-Y35 WeakPolarHBondContact SD-CD2 3.37Å; M31-Y35 HydrophobicContact SD-CE2 3.82Å; M31-Y35 HydrophobicContact SD-CG 4.06Å; M31-V61 HydrophobicContact CB-CG2 4.14Å; M31-V61 HydrophobicContact CE-CB 4.41Å; M31-V61 HydrophobicContact CE-CG2 3.96Å; M31-V61 HydrophobicContact SD-CG1 4.34Å; M31-V61 HydrophobicContact SD-CG2 4.22Å; M31-R64 HydrophobicContact CE-CB 4.13Å; M31-R64 VanDerWaalsContact CE-CD 3.48Å; M31-R64 HydrophobicContact CE-CG 4.44Å; M31-R64 VanDerWaalsContact SD-CD 3.54Å; M31-R64 PolarHBondContact SD-NH1 3.45Å |
| 32 | D | 96.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 81.7 Ų | 81.7 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.9 | -13.2 | -179.3 | 65.4 | -40.4 | 0 | 0 | 0 | 113.8 | K30 R37 | K30-D32 VanDerWaalsContact C-N 3.32Å; K30-D32 PolarHBondContact O-N 2.76Å; D32-R37 IonicContact OD2-NH2 2.77Å; D32-R37 PolarHBondContact OD2-NH2 2.96Å; D32-R37 VanDerWaalsContact OD2-NH2 3.08Å |
| 33 | E | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 81 Ų | 81 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -85.8 | -26.6 | 169.4 | -60.5 | 177.5 | 102.5 | 0 | 0 | 111.8 | L29 K30 M31 R43 V46 | L29-E33 WeakPolarHBondContact CA-OE2 3.3Å; L29-E33 HydrophobicContact CB-CB 4.21Å; L29-E33 HydrophobicContact CD2-CB 4.27Å; K30-E33 PolarHBondContact N-OE2 3.04Å; K30-E33 WeakPolarHBondContact O-CB 3.38Å; K30-E33 PolarHBondContact O-N 2.94Å; M31-E33 VanDerWaalsContact C-N 3.27Å; M31-E33 PolarHBondContact O-N 3.2Å; E33-R43 VanDerWaalsContact C-NH2 3.26Å; E33-R43 VanDerWaalsContact O-CZ 3.32Å; E33-R43 PolarHBondContact O-NE 2.88Å; E33-R43 PolarHBondContact O-NH2 3.19Å; E33-V46 WeakPolarHBondContact O-CG1 3.37Å |
| 34 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -97.2 | -36.5 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | L29 K30 M31 P42 R43 L47 I57 V61 I65 | L29-V34 HydrophobicContact CB-CG2 3.77Å; L29-V34 HydrophobicContact CD1-CG2 4.22Å; K30-V34 PolarHBondContact O-N 3.5Å; M31-V34 PolarHBondContact O-N 2.96Å; V34-P42 HydrophobicContact CG1-CB 4.5Å; V34-P42 CarbonylContact O-C 3.46Å; V34-P42 WeakPolarHBondContact O-CA 3.31Å; V34-R43 WeakPolarHBondContact O-CB 3.38Å; V34-R43 WeakPolarHBondContact O-CG 3.22Å; V34-R43 PolarHBondContact O-N 3.04Å; V34-L47 HydrophobicContact CG1-CD1 4.26Å; V34-L47 HydrophobicContact CG1-CD2 3.75Å; V34-L47 HydrophobicContact CG1-CG 4.1Å; V34-L47 HydrophobicContact CG2-CD2 4.16Å; V34-I57 HydrophobicContact CG2-CG2 4.03Å; V34-V61 HydrophobicContact CB-CG1 3.65Å; V34-V61 HydrophobicContact CG1-CG1 3.67Å; V34-V61 HydrophobicContact CG2-CG1 3.89Å; V34-I65 HydrophobicContact CG1-CD1 4.03Å |
| 35 | Y | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 80.1 Ų | 80.1 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 130.1 | -179.2 | -81.3 | -104.6 | 0 | 0 | 0 | 111.8 | M31 R37 N40 K41 P42 V61 R64 I65 E68 | M31-Y35 WeakPolarHBondContact O-CB 3.33Å; M31-Y35 PolarHBondContact O-N 3.45Å; M31-Y35 HydrophobicContact SD-CD2 3.43Å; M31-Y35 WeakPolarHBondContact SD-CD2 3.37Å; M31-Y35 HydrophobicContact SD-CE2 3.82Å; M31-Y35 HydrophobicContact SD-CG 4.06Å; Y35-R37 PolarHBondContact O-N 3.47Å; Y35-N40 WeakPolarHBondContact CD1-O 3.16Å; Y35-K41 WeakPolarHBondContact CA-O 3.38Å; Y35-P42 HydrophobicContact CE2-CB 4.43Å; Y35-V61 HydrophobicContact CD2-CG1 4.36Å; Y35-V61 HydrophobicContact CE2-CG1 4.18Å; Y35-R64 HydrophobicContact CE2-CG 4.38Å; Y35-I65 HydrophobicContact CE2-CG1 4.02Å; Y35-E68 VanDerWaalsContact CE1-OE2 3.24Å; Y35-E68 WeakPolarHBondContact CE1-OE2 3.21Å; Y35-E68 PolarHBondContact OH-OE2 3.37Å |
| 36 | D | 96.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 80 Ų | 80 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | -70.4 | 126.5 | 172 | 173 | -104.3 | 0 | 0 | 0 | 110.4 | K38 S39 N40 K41 R43 | D36-K38 PolarHBondContact O-N 3.49Å; D36-K38 WeakPolarHBondContact OD1-CB 3.4Å; D36-K38 PolarHBondContact OD1-N 3.34Å; D36-K38 VanDerWaalsContact OD1-N 3.13Å; D36-S39 WeakPolarHBondContact CB-OG 3.4Å; D36-S39 WeakPolarHBondContact OD1-CB 3.43Å; D36-S39 PolarHBondContact OD1-N 3.38Å; D36-S39 PolarHBondContact OD1-OG 2.78Å; D36-N40 VanDerWaalsContact O-CA 3.22Å; D36-N40 WeakPolarHBondContact O-CA 3.28Å; D36-N40 PolarHBondContact O-N 2.69Å; D36-K41 PolarHBondContact N-O 3.47Å; D36-R43 HydrophobicContact CB-CG 3.98Å | ||
| 37 | R | 93.7 | Very high | 97.1 | Very high | 200 Ų | 200 | 71.2 Ų | 71.2 | 76% | 0.755 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.6 | -174.6 | -65.7 | -175.9 | -177.5 | -177.6 | 0.7 | 113.6 | D32 Y35 | D32-R37 IonicContact OD2-NH2 2.77Å; D32-R37 PolarHBondContact OD2-NH2 2.96Å; D32-R37 VanDerWaalsContact OD2-NH2 3.08Å; Y35-R37 PolarHBondContact O-N 3.47Å |
| 38 | K | 94.5 | Very high | 97.2 | Very high | 205 Ų | 205 | 67.9 Ų | 67.9 | 89% | 0.891 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -49.9 | -176.5 | -66.2 | -177.6 | 178.9 | 179.6 | 0 | 111.9 | D36 | D36-K38 PolarHBondContact O-N 3.49Å; D36-K38 WeakPolarHBondContact OD1-CB 3.4Å; D36-K38 PolarHBondContact OD1-N 3.34Å; D36-K38 VanDerWaalsContact OD1-N 3.13Å |
| 39 | S | 94.8 | Very high | 97.2 | Very high | 66 Ų | 66 | 69.8 Ų | 69.8 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.6 | -178.8 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | D36 K41 | D36-S39 WeakPolarHBondContact CB-OG 3.4Å; D36-S39 WeakPolarHBondContact OD1-CB 3.43Å; D36-S39 PolarHBondContact OD1-N 3.38Å; D36-S39 PolarHBondContact OD1-OG 2.78Å; S39-K41 PolarHBondContact O-N 2.87Å; S39-K41 PolarHBondContact OG-N 2.84Å |
| 40 | N | 95.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | trans | 53.9 | 28.1 | -171.3 | -165.4 | 40.1 | 0 | 0 | 0 | 113 | Y35 D36 R64 | Y35-N40 WeakPolarHBondContact CD1-O 3.16Å; D36-N40 VanDerWaalsContact O-CA 3.22Å; D36-N40 WeakPolarHBondContact O-CA 3.28Å; D36-N40 PolarHBondContact O-N 2.69Å; N40-R64 PolarHBondContact ND2-NH2 2.72Å; N40-R64 PolarHBondContact OD1-NH2 3.34Å | ||
| 41 | K | 97.6 | Very high | 97.3 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | trans | -106.9 | 153.1 | 175.9 | -71.6 | -176.6 | 170.7 | -166.7 | 0 | 110.4 | Y35 D36 S39 C140 | Y35-K41 WeakPolarHBondContact CA-O 3.38Å; D36-K41 PolarHBondContact N-O 3.47Å; S39-K41 PolarHBondContact O-N 2.87Å; S39-K41 PolarHBondContact OG-N 2.84Å; K41-C140 PolarHBondContact NZ-O 3.19Å; K41-C140 VanDerWaalsContact NZ-O 3.12Å | ||
| 42 | P | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -61.3 | 157.9 | 170.8 | 27.7 | -33.6 | 0 | 0 | 0 | 110.5 | V34 Y35 P44 L47 A136 I139 C140 | V34-P42 HydrophobicContact CG1-CB 4.5Å; V34-P42 CarbonylContact O-C 3.46Å; V34-P42 WeakPolarHBondContact O-CA 3.31Å; Y35-P42 HydrophobicContact CE2-CB 4.43Å; P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.43Å; P42-L47 HydrophobicContact CB-CD1 4.44Å; P42-A136 HydrophobicContact CB-CB 4Å; P42-A136 HydrophobicContact CG-CB 3.85Å; P42-I139 HydrophobicContact CG-CB 4.12Å; P42-I139 HydrophobicContact CG-CD1 4.19Å; P42-I139 HydrophobicContact CG-CG2 4.07Å; P42-C140 PolarHBondContact O-SG 3.41Å; P42-C140 VanDerWaalsContact O-SG 3.34Å |
| 43 | R | 98.3 | Very high | 97.3 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | trans | -105.5 | 93.3 | 176.7 | -61.7 | -170.7 | -68.2 | -174 | 4.3 | 109.1 | E33 V34 D36 D45 V46 L47 | E33-R43 VanDerWaalsContact C-NH2 3.26Å; E33-R43 VanDerWaalsContact O-CZ 3.32Å; E33-R43 PolarHBondContact O-NE 2.88Å; E33-R43 PolarHBondContact O-NH2 3.19Å; V34-R43 WeakPolarHBondContact O-CB 3.38Å; V34-R43 WeakPolarHBondContact O-CG 3.22Å; V34-R43 PolarHBondContact O-N 3.04Å; D36-R43 HydrophobicContact CB-CG 3.98Å; R43-D45 PolarHBondContact O-N 3.1Å; R43-V46 HydrophobicContact CB-CB 4.04Å; R43-V46 HydrophobicContact CB-CG2 3.82Å; R43-V46 PolarHBondContact O-N 3.16Å; R43-V46 VanDerWaalsContact O-N 3.1Å; R43-L47 PolarHBondContact O-N 2.76Å; R43-L47 VanDerWaalsContact O-N 3.16Å | ||
| 44 | P | 97.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.5 | -38.2 | -177.3 | -27.4 | 35.7 | 0 | 0 | 0 | 113 | P42 V46 L47 K48 Y133 L137 C140 | P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 2.91Å; P44-L47 PolarHBondContact O-N 2.82Å; P44-K48 WeakPolarHBondContact O-CB 3.32Å; P44-K48 PolarHBondContact O-N 3.02Å; P44-Y133 HydrophobicContact CB-CE2 3.97Å; P44-Y133 WeakPolarHBondContact O-CE2 3.44Å; P44-L137 HydrophobicContact CB-CD2 3.81Å; P44-L137 HydrophobicContact CG-CD2 3.89Å; P44-C140 HydrophobicContact CG-CB 4.43Å |
| 45 | D | 97.5 | Very high | 97.4 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 179.2 | -60.2 | -38 | 0 | 0 | 0 | 112.5 | R43 K48 E49 | R43-D45 PolarHBondContact O-N 3.1Å; D45-K48 PolarHBondContact O-N 3.4Å; D45-E49 WeakPolarHBondContact O-CG 3.2Å; D45-E49 PolarHBondContact O-N 3.47Å |
| 46 | V | 98.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 69.9 Ų | 69.9 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | L29 E33 R43 P44 H50 | L29-V46 HydrophobicContact CD1-CG1 3.82Å; E33-V46 WeakPolarHBondContact O-CG1 3.37Å; R43-V46 HydrophobicContact CB-CB 4.04Å; R43-V46 HydrophobicContact CB-CG2 3.82Å; R43-V46 PolarHBondContact O-N 3.16Å; R43-V46 VanDerWaalsContact O-N 3.1Å; P44-V46 VanDerWaalsContact C-N 3.32Å; P44-V46 PolarHBondContact O-N 2.91Å; V46-H50 WeakPolarHBondContact O-CB 3.29Å; V46-H50 PolarHBondContact O-N 2.89Å; V46-H50 VanDerWaalsContact O-N 3.11Å |
| 47 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176 | -71 | 173.2 | 0 | 0 | 0 | 111.3 | V34 P42 R43 P44 H50 F51 I57 I65 Y133 A136 | V34-L47 HydrophobicContact CG1-CD1 4.26Å; V34-L47 HydrophobicContact CG1-CD2 3.75Å; V34-L47 HydrophobicContact CG1-CG 4.1Å; V34-L47 HydrophobicContact CG2-CD2 4.16Å; P42-L47 HydrophobicContact CB-CD1 4.44Å; R43-L47 PolarHBondContact O-N 2.76Å; R43-L47 VanDerWaalsContact O-N 3.16Å; P44-L47 PolarHBondContact O-N 2.82Å; L47-H50 PolarHBondContact O-N 3.05Å; L47-F51 HydrophobicContact CB-CD2 4.2Å; L47-F51 HydrophobicContact CB-CE2 3.94Å; L47-F51 HydrophobicContact CD2-CE2 3.98Å; L47-F51 HydrophobicContact CD2-CZ 3.83Å; L47-F51 HydrophobicContact CG-CE2 4.44Å; L47-F51 WeakPolarHBondContact O-CB 3.34Å; L47-F51 VanDerWaalsContact O-CD2 3.31Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 VanDerWaalsContact O-CG 3.22Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 3.5Å; L47-I57 HydrophobicContact CD2-CD1 4.27Å; L47-I57 HydrophobicContact CD2-CG2 3.84Å; L47-I65 HydrophobicContact CD1-CD1 3.96Å; L47-I65 HydrophobicContact CD2-CD1 4.42Å; L47-Y133 HydrophobicContact CB-CD2 4.26Å; L47-A136 HydrophobicContact CD1-CB 3.5Å; L47-A136 VanDerWaalsContact CD1-CB 3.5Å |
| 48 | K | 98.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.9 | -53.7 | 176.6 | 168.7 | 173.3 | 179.7 | -178.9 | 0 | 111.4 | P44 D45 H50 F51 I52 M100 Y133 | P44-K48 WeakPolarHBondContact O-CB 3.32Å; P44-K48 PolarHBondContact O-N 3.02Å; D45-K48 PolarHBondContact O-N 3.4Å; K48-H50 PolarHBondContact O-N 2.94Å; K48-F51 PolarHBondContact O-N 3.03Å; K48-I52 HydrophobicContact CG-CD1 3.77Å; K48-I52 HydrophobicContact CG-CG1 4.47Å; K48-I52 WeakPolarHBondContact O-CB 3.4Å; K48-I52 VanDerWaalsContact O-CG1 3.29Å; K48-I52 WeakPolarHBondContact O-CG1 3.48Å; K48-I52 PolarHBondContact O-N 3.01Å; K48-M100 HydrophobicContact CB-SD 4.33Å; K48-M100 HydrophobicContact CD-SD 3.65Å; K48-M100 HydrophobicContact CG-SD 3.6Å; K48-M100 VanDerWaalsContact CG-SD 3.6Å; K48-Y133 HydrophobicContact CB-CE2 3.73Å |
| 49 | E | 97.8 | Very high | 97.9 | Very high | 124 Ų | 124 | 51.9 Ų | 51.9 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.3 | -31.9 | -177.9 | -75 | -177.7 | -175 | 0 | 0 | 113 | D45 K53 | D45-E49 WeakPolarHBondContact O-CG 3.2Å; D45-E49 PolarHBondContact O-N 3.47Å; E49-K53 WeakPolarHBondContact O-CD 3.37Å; E49-K53 WeakPolarHBondContact O-CG 3.45Å |
| 50 | H | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.7 | -46.3 | 178.7 | -164.7 | 64.3 | 0 | 0 | 0 | 112.2 | L29 V46 L47 K48 K53 E54 G55 R56 | L29-H50 HydrophobicContact CD1-CB 3.71Å; L29-H50 VanDerWaalsContact CD1-CG 3.5Å; V46-H50 WeakPolarHBondContact O-CB 3.29Å; V46-H50 PolarHBondContact O-N 2.89Å; V46-H50 VanDerWaalsContact O-N 3.11Å; L47-H50 PolarHBondContact O-N 3.05Å; K48-H50 PolarHBondContact O-N 2.94Å; H50-K53 CarbonylContact O-C 3.54Å; H50-K53 PolarHBondContact O-N 3.41Å; H50-K53 VanDerWaalsContact O-N 3.13Å; H50-E54 PolarHBondContact O-N 2.83Å; H50-G55 PolarHBondContact CD2-O 3.07Å; H50-G55 VanDerWaalsContact NE2-CA 3.33Å; H50-G55 WeakPolarHBondContact NE2-CA 3.16Å; H50-G55 WeakPolarHBondContact O-CA 3.43Å; H50-G55 PolarHBondContact O-N 3.02Å; H50-R56 PolarHBondContact CD2-O 2.88Å; H50-R56 PolarHBondContact NE2-N 3.41Å; H50-R56 PolarHBondContact NE2-O 2.98Å |
| 51 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.2 | -34.8 | 179.8 | -65.8 | -28.8 | 0 | 0 | 0 | 113 | L47 K48 K53 E54 G55 I57 F96 E129 L132 | L47-F51 HydrophobicContact CB-CD2 4.2Å; L47-F51 HydrophobicContact CB-CE2 3.94Å; L47-F51 HydrophobicContact CD2-CE2 3.98Å; L47-F51 HydrophobicContact CD2-CZ 3.83Å; L47-F51 HydrophobicContact CG-CE2 4.44Å; L47-F51 WeakPolarHBondContact O-CB 3.34Å; L47-F51 VanDerWaalsContact O-CD2 3.31Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 VanDerWaalsContact O-CG 3.22Å; L47-F51 WeakPolarHBondContact O-CG 3.48Å; L47-F51 PolarHBondContact O-N 3.5Å; K48-F51 PolarHBondContact O-N 3.03Å; F51-K53 PolarHBondContact O-N 2.81Å; F51-E54 WeakPolarHBondContact O-CA 3.47Å; F51-E54 PolarHBondContact O-N 3.34Å; F51-G55 VanDerWaalsContact CD1-O 3.25Å; F51-G55 WeakPolarHBondContact CD1-O 3.42Å; F51-I57 HydrophobicContact CE1-CG2 4Å; F51-I57 HydrophobicContact CZ-CD1 4.35Å; F51-I57 HydrophobicContact CZ-CG2 4.2Å; F51-F96 HydrophobicContact CB-CD1 4.23Å; F51-F96 HydrophobicContact CB-CE1 3.41Å; F51-F96 VanDerWaalsContact CB-CE1 3.41Å; F51-F96 HydrophobicContact CB-CE2 4.33Å; F51-F96 HydrophobicContact CB-CZ 3.48Å; F51-F96 VanDerWaalsContact CB-CZ 3.48Å; F51-F96 HydrophobicContact CD2-CE2 4.23Å; F51-F96 AromaticContact CD2-CZ 3.98Å; F51-F96 HydrophobicContact CD2-CZ 3.98Å; F51-F96 HydrophobicContact CG-CZ 4.23Å; F51-E129 HydrophobicContact CB-CB 4.24Å; F51-E129 HydrophobicContact CB-CG 4.03Å; F51-E129 HydrophobicContact CD1-CG 3.91Å; F51-E129 HydrophobicContact CD2-CB 4.23Å; F51-E129 HydrophobicContact CD2-CG 4.44Å; F51-E129 HydrophobicContact CE1-CG 4.49Å; F51-E129 HydrophobicContact CG-CB 4.13Å; F51-E129 HydrophobicContact CG-CG 3.9Å; F51-L132 HydrophobicContact CE1-CD1 4.5Å; F51-L132 HydrophobicContact CE2-CB 3.9Å; F51-L132 HydrophobicContact CZ-CB 3.91Å; F51-L132 HydrophobicContact CZ-CD1 3.86Å |
| 52 | I | 97.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.4 | 172 | -75.8 | 173.5 | 0 | 0 | 0 | 111.3 | K48 E54 F96 Y97 M100 | K48-I52 HydrophobicContact CG-CD1 3.77Å; K48-I52 HydrophobicContact CG-CG1 4.47Å; K48-I52 WeakPolarHBondContact O-CB 3.4Å; K48-I52 VanDerWaalsContact O-CG1 3.29Å; K48-I52 WeakPolarHBondContact O-CG1 3.48Å; K48-I52 PolarHBondContact O-N 3.01Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-F96 HydrophobicContact CG1-CE1 4.12Å; I52-Y97 HydrophobicContact CG2-CE1 4.41Å; I52-Y97 WeakPolarHBondContact O-CE1 3.43Å; I52-Y97 PolarHBondContact O-OH 3.11Å; I52-M100 HydrophobicContact CD1-CG 4.06Å; I52-M100 HydrophobicContact CG1-CG 4.16Å |
| 53 | K | 98 | Very high | 98.2 | Very high | 121 Ų | 121 | 50.5 Ų | 50.5 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 12.2 | 176.9 | -60.6 | 170 | -172.9 | 161.1 | 0 | 112.6 | P24 P25 E49 H50 F51 G55 | P24-K53 WeakPolarHBondContact CA-O 2.87Å; P25-K53 WeakPolarHBondContact CD-O 3.23Å; P25-K53 HydrophobicContact CG-CB 4.4Å; E49-K53 WeakPolarHBondContact O-CD 3.37Å; E49-K53 WeakPolarHBondContact O-CG 3.45Å; H50-K53 CarbonylContact O-C 3.54Å; H50-K53 PolarHBondContact O-N 3.41Å; H50-K53 VanDerWaalsContact O-N 3.13Å; F51-K53 PolarHBondContact O-N 2.81Å; K53-G55 PolarHBondContact O-N 3.38Å |
| 54 | E | 98.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 49 Ų | 49 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 20.4 | -175.5 | -52.3 | 176.3 | 85.1 | 0 | 0 | 114.3 | P24 H50 F51 I52 P355 | P24-E54 HydrophobicContact CB-CB 4.01Å; P24-E54 HydrophobicContact CG-CB 4.08Å; H50-E54 PolarHBondContact O-N 2.83Å; F51-E54 WeakPolarHBondContact O-CA 3.47Å; F51-E54 PolarHBondContact O-N 3.34Å; I52-E54 VanDerWaalsContact C-N 3.3Å; E54-P355 HydrophobicContact CG-CB 4.12Å; E54-P355 HydrophobicContact CG-CG 3.6Å; E54-P355 VanDerWaalsContact OE1-CB 3.22Å; E54-P355 WeakPolarHBondContact OE1-CB 3.2Å; E54-P355 WeakPolarHBondContact OE2-CB 3.47Å; E54-P355 WeakPolarHBondContact OE2-CG 3.21Å |
| 55 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -71.7 | 146 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P25 H50 F51 K53 | P25-G55 VanDerWaalsContact CG-CA 3.4Å; H50-G55 PolarHBondContact CD2-O 3.07Å; H50-G55 VanDerWaalsContact NE2-CA 3.33Å; H50-G55 WeakPolarHBondContact NE2-CA 3.16Å; H50-G55 WeakPolarHBondContact O-CA 3.43Å; H50-G55 PolarHBondContact O-N 3.02Å; F51-G55 VanDerWaalsContact CD1-O 3.25Å; F51-G55 WeakPolarHBondContact CD1-O 3.42Å; K53-G55 PolarHBondContact O-N 3.38Å | ||
| 56 | R | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | trans | -104.1 | 154.2 | 175.6 | -59.4 | 178.8 | -170.1 | 177.8 | 3.1 | 110.7 | R28 L29 H50 I169 K170 | R28-R56 WeakPolarHBondContact CA-O 3.44Å; R28-R56 HydrophobicContact CG-CB 4.22Å; L29-R56 PolarHBondContact N-O 2.95Å; H50-R56 PolarHBondContact CD2-O 2.88Å; H50-R56 PolarHBondContact NE2-N 3.41Å; H50-R56 PolarHBondContact NE2-O 2.98Å; R56-I169 PolarHBondContact NH1-O 3.4Å; R56-I169 VanDerWaalsContact NH1-O 3.12Å; R56-K170 WeakPolarHBondContact CD-O 3.47Å; R56-K170 PolarHBondContact NH1-O 3.17Å; R56-K170 VanDerWaalsContact NH1-O 3.12Å | ||
| 57 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 162.7 | 170.5 | 64.6 | 178 | 0 | 0 | 0 | 110.3 | L29 V34 L47 F51 V61 A62 I65 L132 Y171 | L29-I57 HydrophobicContact CB-CG2 4.08Å; L29-I57 HydrophobicContact CD1-CG2 4.39Å; V34-I57 HydrophobicContact CG2-CG2 4.03Å; L47-I57 HydrophobicContact CD2-CD1 4.27Å; L47-I57 HydrophobicContact CD2-CG2 3.84Å; F51-I57 HydrophobicContact CE1-CG2 4Å; F51-I57 HydrophobicContact CZ-CD1 4.35Å; F51-I57 HydrophobicContact CZ-CG2 4.2Å; I57-V61 HydrophobicContact CD1-CB 4.23Å; I57-V61 HydrophobicContact CD1-CG1 4.02Å; I57-A62 HydrophobicContact CD1-CB 4.04Å; I57-A62 HydrophobicContact CG1-CB 4.09Å; I57-I65 HydrophobicContact CD1-CD1 3.87Å; I57-L132 HydrophobicContact CD1-CD1 4.01Å; I57-L132 HydrophobicContact CG1-CD1 4.3Å; I57-Y171 HydrophobicContact CG1-CE1 4.13Å; I57-Y171 PolarHBondContact N-OH 3.47Å; I57-Y171 WeakPolarHBondContact O-CE1 3.5Å |
| 58 | D | 98.4 | Very high | 98.4 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | trans | -58.5 | 143.2 | 173.4 | -98.8 | 15.4 | 0 | 0 | 0 | 110.9 | R28 L29 K30 H60 V61 A62 | R28-D58 VanDerWaalsContact CB-OD1 3.26Å; R28-D58 WeakPolarHBondContact CB-OD1 3.29Å; L29-D58 PolarHBondContact O-N 3.27Å; K30-D58 VanDerWaalsContact CD-CG 3.48Å; K30-D58 WeakPolarHBondContact CD-OD2 3.45Å; K30-D58 WeakPolarHBondContact CE-OD2 3.4Å; K30-D58 IonicContact NZ-OD1 3.76Å; K30-D58 PolarHBondContact NZ-OD1 2.68Å; K30-D58 IonicContact NZ-OD2 3.08Å; K30-D58 PolarHBondContact NZ-OD2 3.22Å; D58-H60 VanDerWaalsContact C-N 3.3Å; D58-H60 PolarHBondContact O-N 3.27Å; D58-V61 HydrophobicContact CB-CB 4.44Å; D58-V61 HydrophobicContact CB-CG2 3.77Å; D58-V61 WeakPolarHBondContact O-CA 3.49Å; D58-V61 VanDerWaalsContact O-CB 3.32Å; D58-V61 WeakPolarHBondContact O-CB 3.26Å; D58-V61 PolarHBondContact O-N 3.39Å; D58-A62 PolarHBondContact O-N 3.27Å | ||
| 59 | E | 98.5 | Very high | 98.5 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | -175.6 | -173.9 | 168.6 | 144.3 | 0 | 0 | 112.2 | V61 A62 M63 S172 M174 V175 | E59-V61 PolarHBondContact O-N 3.02Å; E59-A62 PolarHBondContact O-N 3.4Å; E59-M63 HydrophobicContact CG-CG 4.42Å; E59-M63 WeakPolarHBondContact O-CB 3.43Å; E59-M63 VanDerWaalsContact O-CG 3.27Å; E59-M63 WeakPolarHBondContact O-CG 3.42Å; E59-M63 PolarHBondContact O-N 2.81Å; E59-S172 WeakPolarHBondContact OE1-CB 3.5Å; E59-S172 PolarHBondContact OE1-OG 2.92Å; E59-S172 WeakPolarHBondContact OE2-CB 3.3Å; E59-S172 PolarHBondContact OE2-OG 2.77Å; E59-M174 WeakPolarHBondContact OE1-CE 3.37Å; E59-V175 HydrophobicContact CG-CG2 3.73Å |
| 60 | H | 98.1 | Very high | 98.5 | Very high | 153 Ų | 153 | 37.7 Ų | 37.7 | 71% | 0.708 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -60.8 | -29.3 | 173.8 | -65.6 | -63.1 | 0 | 0 | 0 | 113.3 | D58 R64 | D58-H60 VanDerWaalsContact C-N 3.3Å; D58-H60 PolarHBondContact O-N 3.27Å; H60-R64 WeakPolarHBondContact O-CB 3.45Å; H60-R64 PolarHBondContact O-N 3.45Å; H60-R64 VanDerWaalsContact O-N 3.14Å |
| 61 | V | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.3 | -43.6 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | M31 V34 Y35 I57 D58 E59 R64 I65 | M31-V61 HydrophobicContact CB-CG2 4.14Å; M31-V61 HydrophobicContact CE-CB 4.41Å; M31-V61 HydrophobicContact CE-CG2 3.96Å; M31-V61 HydrophobicContact SD-CG1 4.34Å; M31-V61 HydrophobicContact SD-CG2 4.22Å; V34-V61 HydrophobicContact CB-CG1 3.65Å; V34-V61 HydrophobicContact CG1-CG1 3.67Å; V34-V61 HydrophobicContact CG2-CG1 3.89Å; Y35-V61 HydrophobicContact CD2-CG1 4.36Å; Y35-V61 HydrophobicContact CE2-CG1 4.18Å; I57-V61 HydrophobicContact CD1-CB 4.23Å; I57-V61 HydrophobicContact CD1-CG1 4.02Å; D58-V61 HydrophobicContact CB-CB 4.44Å; D58-V61 HydrophobicContact CB-CG2 3.77Å; D58-V61 WeakPolarHBondContact O-CA 3.49Å; D58-V61 VanDerWaalsContact O-CB 3.32Å; D58-V61 WeakPolarHBondContact O-CB 3.26Å; D58-V61 PolarHBondContact O-N 3.39Å; E59-V61 PolarHBondContact O-N 3.02Å; V61-R64 PolarHBondContact O-N 3.41Å; V61-I65 HydrophobicContact CG1-CD1 4.4Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 3.4Å |
| 62 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I57 D58 E59 R64 I65 I66 L132 Y171 | I57-A62 HydrophobicContact CD1-CB 4.04Å; I57-A62 HydrophobicContact CG1-CB 4.09Å; D58-A62 PolarHBondContact O-N 3.27Å; E59-A62 PolarHBondContact O-N 3.4Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 3.45Å; A62-I65 PolarHBondContact O-N 3.23Å; A62-I66 WeakPolarHBondContact O-CD1 3.18Å; A62-I66 WeakPolarHBondContact O-CG1 3.47Å; A62-I66 PolarHBondContact O-N 2.83Å; A62-L132 HydrophobicContact CB-CD1 4.19Å; A62-L132 HydrophobicContact CB-CD2 3.88Å; A62-Y171 HydrophobicContact CB-CD1 4.16Å; A62-Y171 HydrophobicContact CB-CE1 3.84Å |
| 63 | M | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 39 Ų | 39 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 175.8 | -70.7 | -65.6 | -69.5 | 0 | 0 | 112.2 | E59 A67 V175 A178 | E59-M63 HydrophobicContact CG-CG 4.42Å; E59-M63 WeakPolarHBondContact O-CB 3.43Å; E59-M63 VanDerWaalsContact O-CG 3.27Å; E59-M63 WeakPolarHBondContact O-CG 3.42Å; E59-M63 PolarHBondContact O-N 2.81Å; M63-A67 VanDerWaalsContact O-CB 3.24Å; M63-A67 WeakPolarHBondContact O-CB 3.45Å; M63-A67 PolarHBondContact O-N 3.29Å; M63-V175 HydrophobicContact CG-CG2 4.2Å; M63-V175 HydrophobicContact SD-CB 4.43Å; M63-V175 HydrophobicContact SD-CG2 3.9Å; M63-A178 HydrophobicContact CE-CB 3.7Å; M63-A178 HydrophobicContact SD-CB 3.64Å |
| 64 | R | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 177.6 | -173.3 | -177.2 | 173.7 | -175.1 | -6.7 | 112.3 | M31 Y35 N40 H60 V61 A62 I66 A67 E68 | M31-R64 HydrophobicContact CE-CB 4.13Å; M31-R64 VanDerWaalsContact CE-CD 3.48Å; M31-R64 HydrophobicContact CE-CG 4.44Å; M31-R64 VanDerWaalsContact SD-CD 3.54Å; M31-R64 PolarHBondContact SD-NH1 3.45Å; Y35-R64 HydrophobicContact CE2-CG 4.38Å; N40-R64 PolarHBondContact ND2-NH2 2.72Å; N40-R64 PolarHBondContact OD1-NH2 3.34Å; H60-R64 WeakPolarHBondContact O-CB 3.45Å; H60-R64 PolarHBondContact O-N 3.45Å; H60-R64 VanDerWaalsContact O-N 3.14Å; V61-R64 PolarHBondContact O-N 3.41Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 3.45Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.07Å; R64-A67 PolarHBondContact O-N 3.38Å; R64-E68 HydrophobicContact CG-CG 4.32Å; R64-E68 IonicContact CZ-OE1 2.74Å; R64-E68 VanDerWaalsContact CZ-OE1 3.31Å; R64-E68 IonicContact NE-OE1 2.74Å; R64-E68 PolarHBondContact NE-OE1 3.44Å; R64-E68 IonicContact NH2-OE1 2.66Å; R64-E68 PolarHBondContact NH2-OE1 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.5Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 2.57Å |
| 65 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.5 | -70.4 | 171.3 | 0 | 0 | 0 | 110.2 | V34 Y35 L47 I57 V61 A62 G69 L132 W135 A136 I139 | V34-I65 HydrophobicContact CG1-CD1 4.03Å; Y35-I65 HydrophobicContact CE2-CG1 4.02Å; L47-I65 HydrophobicContact CD1-CD1 3.96Å; L47-I65 HydrophobicContact CD2-CD1 4.42Å; I57-I65 HydrophobicContact CD1-CD1 3.87Å; V61-I65 HydrophobicContact CG1-CD1 4.4Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 3.4Å; A62-I65 PolarHBondContact O-N 3.23Å; I65-G69 PolarHBondContact O-N 3.24Å; I65-L132 HydrophobicContact CB-CD2 4.34Å; I65-L132 HydrophobicContact CG2-CD2 4.25Å; I65-W135 HydrophobicContact CG2-CB 3.77Å; I65-A136 HydrophobicContact CG2-CB 4.42Å; I65-I139 HydrophobicContact CG2-CD1 4.3Å; I65-I139 WeakPolarHBondContact O-CD1 3.18Å |
| 66 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 178.7 | -65.2 | 161 | 0 | 0 | 0 | 109.9 | A62 R64 E68 G69 T70 L132 V175 A178 C179 | A62-I66 WeakPolarHBondContact O-CD1 3.18Å; A62-I66 WeakPolarHBondContact O-CG1 3.47Å; A62-I66 PolarHBondContact O-N 2.83Å; R64-I66 VanDerWaalsContact C-N 3.32Å; R64-I66 PolarHBondContact O-N 3.07Å; I66-E68 PolarHBondContact O-N 3.21Å; I66-G69 PolarHBondContact O-N 3.37Å; I66-T70 WeakPolarHBondContact O-CB 3.3Å; I66-T70 PolarHBondContact O-N 3.35Å; I66-T70 PolarHBondContact O-OG1 2.87Å; I66-L132 HydrophobicContact CD1-CD2 4.16Å; I66-L132 HydrophobicContact CG1-CD2 4.02Å; I66-V175 HydrophobicContact CD1-CG1 3.83Å; I66-A178 HydrophobicContact CG2-CB 3.94Å; I66-A178 WeakPolarHBondContact CG2-O 3.31Å; I66-C179 VanDerWaalsContact CD1-SG 3.56Å |
| 67 | A | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 49% | 0.488 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M63 R64 T70 A71 | M63-A67 VanDerWaalsContact O-CB 3.24Å; M63-A67 WeakPolarHBondContact O-CB 3.45Å; M63-A67 PolarHBondContact O-N 3.29Å; R64-A67 PolarHBondContact O-N 3.38Å; A67-T70 WeakPolarHBondContact O-CB 3.33Å; A67-T70 PolarHBondContact O-N 2.89Å; A67-A71 PolarHBondContact O-N 3.27Å |
| 68 | E | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 177 | -74.7 | -179.8 | -178 | 0 | 0 | 111.5 | Y35 R64 I66 A71 F72 I139 | Y35-E68 VanDerWaalsContact CE1-OE2 3.24Å; Y35-E68 WeakPolarHBondContact CE1-OE2 3.21Å; Y35-E68 PolarHBondContact OH-OE2 3.37Å; R64-E68 HydrophobicContact CG-CG 4.32Å; R64-E68 IonicContact CZ-OE1 2.74Å; R64-E68 VanDerWaalsContact CZ-OE1 3.31Å; R64-E68 IonicContact NE-OE1 2.74Å; R64-E68 PolarHBondContact NE-OE1 3.44Å; R64-E68 IonicContact NH2-OE1 2.66Å; R64-E68 PolarHBondContact NH2-OE1 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.5Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 2.57Å; I66-E68 PolarHBondContact O-N 3.21Å; E68-A71 WeakPolarHBondContact O-CB 3.28Å; E68-A71 PolarHBondContact O-N 2.8Å; E68-F72 WeakPolarHBondContact O-CD2 3.32Å; E68-F72 PolarHBondContact O-N 3.15Å; E68-I139 HydrophobicContact CB-CD1 3.6Å; E68-I139 HydrophobicContact CB-CG1 3.99Å |
| 69 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I65 I66 A71 F72 L73 | I65-G69 PolarHBondContact O-N 3.24Å; I66-G69 PolarHBondContact O-N 3.37Å; G69-A71 VanDerWaalsContact C-N 3.25Å; G69-A71 PolarHBondContact O-N 3.02Å; G69-F72 PolarHBondContact O-N 3.04Å; G69-F72 VanDerWaalsContact O-N 3.11Å; G69-L73 WeakPolarHBondContact O-CG 2.94Å; G69-L73 PolarHBondContact O-N 3.01Å |
| 70 | T | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.2 | -41.1 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | I66 A67 F72 L73 K74 S182 A185 | I66-T70 WeakPolarHBondContact O-CB 3.3Å; I66-T70 PolarHBondContact O-N 3.35Å; I66-T70 PolarHBondContact O-OG1 2.87Å; A67-T70 WeakPolarHBondContact O-CB 3.33Å; A67-T70 PolarHBondContact O-N 2.89Å; T70-F72 VanDerWaalsContact C-N 3.3Å; T70-F72 PolarHBondContact O-N 3.06Å; T70-L73 PolarHBondContact O-N 3.06Å; T70-K74 HydrophobicContact CG2-CD 3.98Å; T70-K74 HydrophobicContact CG2-CG 4.18Å; T70-K74 WeakPolarHBondContact O-CB 3.18Å; T70-K74 WeakPolarHBondContact O-CG 3.26Å; T70-K74 PolarHBondContact O-N 2.79Å; T70-S182 WeakPolarHBondContact OG1-CA 3.07Å; T70-S182 WeakPolarHBondContact OG1-CB 3.33Å; T70-S182 PolarHBondContact OG1-OG 3.47Å; T70-A185 HydrophobicContact CG2-CB 4.22Å |
| 71 | A | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 42 Ų | 42 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A67 E68 G69 Q75 | A67-A71 PolarHBondContact O-N 3.27Å; E68-A71 WeakPolarHBondContact O-CB 3.28Å; E68-A71 PolarHBondContact O-N 2.8Å; G69-A71 VanDerWaalsContact C-N 3.25Å; G69-A71 PolarHBondContact O-N 3.02Å; A71-Q75 WeakPolarHBondContact O-CG 2.94Å; A71-Q75 PolarHBondContact O-NE2 3.2Å |
| 72 | F | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 28% | 0.281 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.1 | -48.1 | 171.7 | -78.1 | -73.5 | 0 | 0 | 0 | 111.7 | E68 G69 T70 K74 Q75 E76 K138 I139 P142 | E68-F72 WeakPolarHBondContact O-CD2 3.32Å; E68-F72 PolarHBondContact O-N 3.15Å; G69-F72 PolarHBondContact O-N 3.04Å; G69-F72 VanDerWaalsContact O-N 3.11Å; T70-F72 VanDerWaalsContact C-N 3.3Å; T70-F72 PolarHBondContact O-N 3.06Å; F72-K74 VanDerWaalsContact C-N 3.29Å; F72-K74 PolarHBondContact O-N 3.24Å; F72-Q75 WeakPolarHBondContact O-CB 3.34Å; F72-Q75 PolarHBondContact O-N 2.76Å; F72-E76 PolarHBondContact O-N 3.46Å; F72-K138 HydrophobicContact CB-CG 4.38Å; F72-I139 HydrophobicContact CD2-CG1 4.29Å; F72-I139 HydrophobicContact CE2-CB 4.43Å; F72-I139 HydrophobicContact CE2-CG1 4.39Å; F72-I139 HydrophobicContact CE2-CG2 4.25Å; F72-P142 HydrophobicContact CD1-CB 3.63Å; F72-P142 HydrophobicContact CD1-CG 4.37Å; F72-P142 HydrophobicContact CE1-CB 3.65Å; F72-P142 HydrophobicContact CE1-CG 3.87Å; F72-P142 HydrophobicContact CG-CB 4.28Å; F72-P142 HydrophobicContact CZ-CB 4.32Å; F72-P142 HydrophobicContact CZ-CG 4.28Å |
| 73 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -37.5 | -179.2 | -65.8 | 172.6 | 0 | 0 | 0 | 112.5 | G69 T70 Q75 E76 W135 L147 A185 L186 R218 | G69-L73 WeakPolarHBondContact O-CG 2.94Å; G69-L73 PolarHBondContact O-N 3.01Å; T70-L73 PolarHBondContact O-N 3.06Å; L73-Q75 PolarHBondContact O-N 2.86Å; L73-E76 PolarHBondContact O-N 2.99Å; L73-W135 HydrophobicContact CD1-CZ2 4.09Å; L73-L147 HydrophobicContact CD2-CB 4.49Å; L73-A185 HydrophobicContact CB-CB 3.83Å; L73-L186 HydrophobicContact CD1-CD2 3.72Å; L73-L186 HydrophobicContact CD1-CG 4.18Å; L73-L186 HydrophobicContact CD2-CD2 3.95Å; L73-L186 HydrophobicContact CG-CD2 4.47Å; L73-R218 PolarHBondContact O-NH2 2.96Å |
| 74 | K | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -27.1 | 175.9 | -77.4 | -178.7 | 175.6 | 175 | 0 | 113.6 | T70 F72 E76 A185 F219 | T70-K74 HydrophobicContact CG2-CD 3.98Å; T70-K74 HydrophobicContact CG2-CG 4.18Å; T70-K74 WeakPolarHBondContact O-CB 3.18Å; T70-K74 WeakPolarHBondContact O-CG 3.26Å; T70-K74 PolarHBondContact O-N 2.79Å; F72-K74 VanDerWaalsContact C-N 3.29Å; F72-K74 PolarHBondContact O-N 3.24Å; K74-E76 VanDerWaalsContact C-N 3.34Å; K74-A185 HydrophobicContact CG-CB 3.65Å; K74-F219 HydrophobicContact CB-CE1 4.4Å; K74-F219 HydrophobicContact CG-CE1 3.99Å |
| 75 | Q | 98 | Very high | 98.3 | Very high | 152 Ų | 152 | 47.7 Ų | 47.7 | 71% | 0.71 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -81.1 | -17.9 | 178.6 | -67.4 | 168.4 | 39.7 | 0 | 0 | 112.5 | A71 F72 L73 | A71-Q75 WeakPolarHBondContact O-CG 2.94Å; A71-Q75 PolarHBondContact O-NE2 3.2Å; F72-Q75 WeakPolarHBondContact O-CB 3.34Å; F72-Q75 PolarHBondContact O-N 2.76Å; L73-Q75 PolarHBondContact O-N 2.86Å |
| 76 | E | 98.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -78.3 | 155.4 | -178.1 | -65.6 | -174.3 | 131.8 | 0 | 0 | 112.3 | F72 L73 K74 L80 K138 P187 R218 | F72-E76 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 2.99Å; K74-E76 VanDerWaalsContact C-N 3.34Å; E76-L80 HydrophobicContact CB-CD2 3.78Å; E76-L80 HydrophobicContact CG-CD2 4.25Å; E76-K138 VanDerWaalsContact CD-NZ 3.31Å; E76-K138 IonicContact OE1-NZ 3.64Å; E76-K138 PolarHBondContact OE1-NZ 3.12Å; E76-K138 IonicContact OE2-NZ 3.43Å; E76-K138 PolarHBondContact OE2-NZ 3.36Å; E76-P187 HydrophobicContact CB-CG 4.02Å; E76-R218 PolarHBondContact O-NH1 3Å; E76-R218 VanDerWaalsContact O-NH1 3.08Å; E76-R218 PolarHBondContact O-NH2 3.22Å |
| 77 | K | 98.3 | Very high | 98.3 | Very high | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 25% | 0.254 | S | S | * | . | trans | -71.2 | 158.8 | 174.2 | -62.6 | 177.6 | -169.3 | 172.5 | 0 | 110.4 | M79 D81 R218 | K77-M79 VanDerWaalsContact CB-O 3.25Å; K77-M79 WeakPolarHBondContact CB-O 3.34Å; K77-M79 PolarHBondContact O-N 2.9Å; K77-D81 IonicContact NZ-OD2 3.45Å; K77-D81 PolarHBondContact NZ-OD2 3.46Å; K77-R218 VanDerWaalsContact C-NH1 3.29Å | ||
| 78 | T | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -63.1 | -34.2 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | L188 A189 I213 L216 R218 | T78-L188 HydrophobicContact CG2-CB 4.1Å; T78-L188 HydrophobicContact CG2-CD1 3.84Å; T78-L188 HydrophobicContact CG2-CG 3.94Å; T78-L188 PolarHBondContact O-N 2.76Å; T78-A189 PolarHBondContact O-N 2.65Å; T78-I213 WeakPolarHBondContact CG2-O 3.31Å; T78-L216 HydrophobicContact CG2-CB 4.31Å; T78-L216 PolarHBondContact OG1-O 3.35Å; T78-R218 HydrophobicContact CG2-CB 4.24Å; T78-R218 PolarHBondContact OG1-NH1 3.01Å |
| 79 | M | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.1 | 168.3 | -171.6 | -178.9 | 81.2 | 0 | 0 | 109.4 | K77 A189 L191 L210 I213 K214 | K77-M79 VanDerWaalsContact CB-O 3.25Å; K77-M79 WeakPolarHBondContact CB-O 3.34Å; K77-M79 PolarHBondContact O-N 2.9Å; M79-A189 CarbonylContact C-O 3.41Å; M79-A189 VanDerWaalsContact CA-O 3.31Å; M79-A189 WeakPolarHBondContact CA-O 3.31Å; M79-A189 HydrophobicContact CB-CB 4.36Å; M79-A189 HydrophobicContact CG-CB 3.94Å; M79-L191 HydrophobicContact CE-CB 3.98Å; M79-L191 HydrophobicContact CE-CD2 4.26Å; M79-L191 HydrophobicContact SD-CB 4.34Å; M79-L210 HydrophobicContact CE-CB 4.14Å; M79-L210 HydrophobicContact CE-CD1 4.47Å; M79-L210 HydrophobicContact SD-CB 4.21Å; M79-L210 HydrophobicContact SD-CD2 3.91Å; M79-I213 HydrophobicContact CB-CG2 4.12Å; M79-I213 HydrophobicContact SD-CD1 4.48Å; M79-K214 HydrophobicContact CB-CG 4.21Å; M79-K214 HydrophobicContact CE-CD 4.3Å; M79-K214 HydrophobicContact CE-CG 4.15Å |
| 80 | L | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 153.2 | 178.5 | -57.1 | 177.5 | 0 | 0 | 0 | 111.3 | E76 I82 F146 L148 P187 A189 A190 L191 | E76-L80 HydrophobicContact CB-CD2 3.78Å; E76-L80 HydrophobicContact CG-CD2 4.25Å; L80-I82 HydrophobicContact CB-CD1 4.13Å; L80-I82 HydrophobicContact CB-CG1 4.05Å; L80-I82 HydrophobicContact CD1-CD1 4.14Å; L80-F146 HydrophobicContact CD1-CB 3.84Å; L80-F146 HydrophobicContact CD1-CD1 3.88Å; L80-F146 HydrophobicContact CD1-CG 4.16Å; L80-L148 HydrophobicContact CD1-CD2 3.82Å; L80-L148 HydrophobicContact CG-CD2 4.39Å; L80-P187 HydrophobicContact CD1-CB 4.13Å; L80-P187 HydrophobicContact CD1-CG 4.11Å; L80-P187 HydrophobicContact CD2-CB 4.07Å; L80-P187 HydrophobicContact CD2-CG 3.77Å; L80-P187 HydrophobicContact CG-CB 3.85Å; L80-P187 HydrophobicContact CG-CG 4.02Å; L80-A189 PolarHBondContact N-O 2.85Å; L80-A190 HydrophobicContact CB-CB 3.88Å; L80-A190 CarbonylContact O-C 3.14Å; L80-A190 WeakPolarHBondContact O-CA 3.35Å; L80-L191 PolarHBondContact O-N 3.34Å |
| 81 | D | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.4 | 169.9 | -63.2 | -74 | 0 | 0 | 0 | 107.8 | K77 | K77-D81 IonicContact NZ-OD2 3.45Å; K77-D81 PolarHBondContact NZ-OD2 3.46Å |
| 82 | I | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.4 | -171.3 | -57.6 | 176.7 | 0 | 0 | 0 | 110.7 | L80 V86 K113 L115 F146 A190 L191 M192 N193 | L80-I82 HydrophobicContact CB-CD1 4.13Å; L80-I82 HydrophobicContact CB-CG1 4.05Å; L80-I82 HydrophobicContact CD1-CD1 4.14Å; I82-V86 HydrophobicContact CG2-CG2 4.24Å; I82-K113 HydrophobicContact CG2-CD 3.76Å; I82-L115 HydrophobicContact CD1-CB 4.35Å; I82-L115 HydrophobicContact CD1-CD1 3.74Å; I82-L115 HydrophobicContact CD1-CD2 4.17Å; I82-L115 HydrophobicContact CD1-CG 4.31Å; I82-F146 HydrophobicContact CD1-CB 3.82Å; I82-F146 HydrophobicContact CD1-CD1 4.24Å; I82-F146 HydrophobicContact CD1-CD2 3.55Å; I82-F146 HydrophobicContact CD1-CE2 4.15Å; I82-F146 HydrophobicContact CD1-CG 3.6Å; I82-F146 HydrophobicContact CG1-CD2 4.01Å; I82-F146 HydrophobicContact CG1-CE2 4.08Å; I82-F146 HydrophobicContact CG1-CG 4.23Å; I82-F146 HydrophobicContact CG1-CZ 4.36Å; I82-F146 HydrophobicContact CG2-CD2 4.22Å; I82-F146 HydrophobicContact CG2-CE2 4.05Å; I82-A190 HydrophobicContact CD1-CB 3.74Å; I82-A190 HydrophobicContact CG1-CB 4.37Å; I82-L191 PolarHBondContact N-O 2.89Å; I82-M192 CarbonylContact O-C 3.56Å; I82-M192 VanDerWaalsContact O-CA 3.32Å; I82-M192 WeakPolarHBondContact O-CA 3.28Å; I82-N193 PolarHBondContact O-N 2.75Å |
| 83 | E | 97.2 | Very high | 98.3 | Very high | 144 Ų | 144 | 37.5 Ų | 37.5 | 67% | 0.673 | 19% | 0.186 | S | C | * | . | P | Polyproline II helix | trans | -83 | 156.2 | 175.7 | -63 | 179.4 | 170.5 | 0 | 0 | 112.8 | K113 | E83-K113 WeakPolarHBondContact O-CD 3.34Å; E83-K113 PolarHBondContact O-NZ 3.19Å |
| 84 | A | 96.1 | Very high | 98.3 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -69.1 | 159.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N193 Y339 | A84-N193 HydrophobicContact CB-CB 4.47Å; A84-N193 PolarHBondContact N-OD1 3.36Å; A84-Y339 HydrophobicContact CB-CD1 3.68Å; A84-Y339 HydrophobicContact CB-CE1 3.83Å |
| 85 | P | 97.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 43% | 0.429 | 17% | 0.168 | S | C | . | . | S | Bend | cis | -72.9 | 150.7 | -7.5 | 31.8 | -35.2 | 0 | 0 | 0 | 112.2 | K113 Y339 E340 | P85-K113 VanDerWaalsContact O-CB 3.31Å; P85-K113 WeakPolarHBondContact O-CB 3.49Å; P85-K113 WeakPolarHBondContact O-CD 3.44Å; P85-Y339 CarbonylContact C-O 3.53Å; P85-Y339 WeakPolarHBondContact CA-O 3.37Å; P85-E340 HydrophobicContact CB-CB 3.85Å; P85-E340 HydrophobicContact CB-CG 3.89Å |
| 86 | V | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 142.9 | 178.6 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | I82 V88 K113 L115 M192 Y339 | I82-V86 HydrophobicContact CG2-CG2 4.24Å; V86-V88 HydrophobicContact CG1-CG2 4.26Å; V86-V88 HydrophobicContact CG2-CG2 4.44Å; V86-K113 HydrophobicContact CB-CD 4.31Å; V86-K113 HydrophobicContact CB-CG 4.49Å; V86-K113 HydrophobicContact CG2-CD 4.43Å; V86-K113 HydrophobicContact CG2-CG 4.26Å; V86-L115 HydrophobicContact CG2-CB 3.98Å; V86-M192 HydrophobicContact CG1-CE 4.35Å; V86-M192 HydrophobicContact CG1-CG 3.65Å; V86-M192 HydrophobicContact CG1-SD 3.83Å; V86-Y339 PolarHBondContact N-O 3.18Å; V86-Y339 PolarHBondContact O-N 2.94Å |
| 87 | T | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.8 | 167.7 | -59 | 0 | 0 | 0 | 0 | 108.9 | K113 Y114 L115 I336 L337 K338 | T87-K113 PolarHBondContact N-O 2.76Å; T87-Y114 HydrophobicContact CG2-CD1 3.92Å; T87-Y114 HydrophobicContact CG2-CE1 3.5Å; T87-Y114 VanDerWaalsContact CG2-CE1 3.5Å; T87-Y114 CarbonylContact O-C 3.58Å; T87-Y114 WeakPolarHBondContact O-CA 3.49Å; T87-L115 PolarHBondContact O-N 2.82Å; T87-I336 HydrophobicContact CG2-CB 4.06Å; T87-I336 HydrophobicContact CG2-CD1 3.8Å; T87-I336 HydrophobicContact CG2-CG1 4.3Å; T87-L337 CarbonylContact C-O 3.6Å; T87-L337 WeakPolarHBondContact CA-O 3.47Å; T87-K338 HydrophobicContact CG2-CG 4.22Å |
| 88 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.5 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | V86 L115 L117 I293 I320 L337 | V86-V88 HydrophobicContact CG1-CG2 4.26Å; V86-V88 HydrophobicContact CG2-CG2 4.44Å; V88-L115 CarbonylContact C-O 3.51Å; V88-L115 VanDerWaalsContact CA-O 3.28Å; V88-L115 WeakPolarHBondContact CA-O 3.33Å; V88-L115 HydrophobicContact CG1-CD2 4.33Å; V88-L115 HydrophobicContact CG1-CG 4.47Å; V88-L115 HydrophobicContact CG2-CB 4.42Å; V88-L115 HydrophobicContact CG2-CD2 4.3Å; V88-L117 HydrophobicContact CG1-CD1 3.82Å; V88-L117 HydrophobicContact CG1-CD2 3.93Å; V88-L117 HydrophobicContact CG1-CG 3.84Å; V88-I293 HydrophobicContact CG1-CG2 4.19Å; V88-I320 HydrophobicContact CG1-CG2 4.49Å; V88-L337 HydrophobicContact CB-CB 4.26Å; V88-L337 HydrophobicContact CB-CD2 4.44Å; V88-L337 HydrophobicContact CG2-CD2 4.21Å; V88-L337 PolarHBondContact N-O 3.21Å; V88-L337 PolarHBondContact O-N 3.3Å |
| 89 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.3 | -176.6 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | L102 L115 F116 L117 I336 | C89-L102 HydrophobicContact CB-CD1 4.14Å; C89-L115 PolarHBondContact N-O 3.37Å; C89-F116 HydrophobicContact CB-CD1 3.53Å; C89-F116 HydrophobicContact CB-CE1 3.68Å; C89-F116 HydrophobicContact CB-CG 3.98Å; C89-F116 HydrophobicContact CB-CZ 4.23Å; C89-F116 WeakPolarHBondContact O-CA 3.25Å; C89-L117 WeakPolarHBondContact O-CG 3.32Å; C89-L117 PolarHBondContact O-N 3.41Å; C89-I336 HydrophobicContact CB-CG2 4.44Å |
| 90 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -88.5 | -149.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | I320 S322 | G90-I320 WeakPolarHBondContact CA-O 3.41Å; G90-S322 PolarHBondContact N-OG 3.26Å | ||
| 91 | D | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | trans | -60.1 | 141.4 | -174.4 | -45.7 | 6.4 | 0 | 0 | 0 | 111.7 | H93 D119 H200 A295 H296 F321 S322 A323 | D91-H93 IonicContact OD2-NE2 3.55Å; D91-D119 HydrophobicContact CB-CB 3.95Å; D91-H200 IonicContact OD1-CE1 3.65Å; D91-H200 PolarHBondContact OD1-CE1 2.86Å; D91-H200 VanDerWaalsContact OD1-CE1 3.32Å; D91-H200 IonicContact OD1-ND1 2.91Å; D91-A295 WeakPolarHBondContact OD1-CB 3.31Å; D91-H296 PolarHBondContact OD1-N 3.25Å; D91-H296 VanDerWaalsContact OD2-CA 3.23Å; D91-H296 WeakPolarHBondContact OD2-CA 3.49Å; D91-H296 PolarHBondContact OD2-N 3.19Å; D91-F321 HydrophobicContact CB-CD2 3.87Å; D91-F321 HydrophobicContact CB-CE2 3.65Å; D91-F321 WeakPolarHBondContact OD2-CD2 3.36Å; D91-F321 WeakPolarHBondContact OD2-CE2 3.44Å; D91-S322 CarbonylContact O-C 3.56Å; D91-S322 VanDerWaalsContact O-CA 3.32Å; D91-S322 WeakPolarHBondContact O-CA 3.27Å; D91-S322 WeakPolarHBondContact O-CB 3.4Å; D91-S322 PolarHBondContact O-N 3.39Å; D91-A323 PolarHBondContact O-N 3.31Å; D91-A323 VanDerWaalsContact O-N 3.1Å | ||
| 92 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | trans | -115.2 | -35.9 | -179.2 | -55.9 | -59.3 | 0 | 0 | 0 | 111.7 | G94 Q95 L99 L102 F116 D119 Y120 | I92-G94 VanDerWaalsContact C-N 3.35Å; I92-G94 PolarHBondContact O-N 2.93Å; I92-Q95 WeakPolarHBondContact O-CB 3.17Å; I92-Q95 PolarHBondContact O-N 3.48Å; I92-L99 HydrophobicContact CD1-CD1 4.09Å; I92-L99 HydrophobicContact CG2-CB 4.22Å; I92-L99 HydrophobicContact CG2-CD1 4.44Å; I92-L102 HydrophobicContact CD1-CD1 3.75Å; I92-F116 HydrophobicContact CD1-CD1 4.15Å; I92-F116 HydrophobicContact CD1-CE1 3.92Å; I92-F116 HydrophobicContact CG1-CD1 4.07Å; I92-F116 HydrophobicContact CG1-CE1 4.19Å; I92-D119 PolarHBondContact N-O 3.32Å; I92-Y120 HydrophobicContact CG1-CD1 4.5Å | ||
| 93 | H | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 50.2 | 173.8 | -78.3 | -50.4 | 0 | 0 | 0 | 114.7 | D91 Q95 D119 V121 D122 R123 G124 H152 Y326 | D91-H93 IonicContact OD2-NE2 3.55Å; H93-Q95 PolarHBondContact O-N 2.88Å; H93-D119 IonicContact CE1-OD2 3.27Å; H93-D119 PolarHBondContact N-O 3.15Å; H93-D119 IonicContact NE2-OD2 3.35Å; H93-V121 PolarHBondContact ND1-O 3.45Å; H93-V121 VanDerWaalsContact ND1-O 3.1Å; H93-D122 CarbonylContact C-O 3.55Å; H93-D122 WeakPolarHBondContact CA-O 3.2Å; H93-D122 VanDerWaalsContact O-O 3.12Å; H93-R123 HydrophobicContact CB-CB 4.11Å; H93-R123 HydrophobicContact CB-CG 4.26Å; H93-R123 WeakPolarHBondContact ND1-CG 3.35Å; H93-G124 WeakPolarHBondContact O-CA 3.49Å; H93-G124 PolarHBondContact O-N 2.92Å; H93-H152 AromaticContact CE1-CD2 3.52Å; H93-H152 AromaticContact CE1-CG 3.95Å; H93-H152 AromaticContact CE1-NE2 3.65Å; H93-Y326 HydrophobicContact CB-CE2 3.97Å; H93-Y326 AromaticContact CD2-CE2 3.49Å; H93-Y326 VanDerWaalsContact CD2-CE2 3.49Å; H93-Y326 WeakPolarHBondContact CD2-CE2 3.38Å; H93-Y326 AromaticContact CD2-CZ 3.93Å; H93-Y326 AromaticContact CG-CE2 3.86Å |
| 94 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I92 F96 Y120 F126 | I92-G94 VanDerWaalsContact C-N 3.35Å; I92-G94 PolarHBondContact O-N 2.93Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.03Å; G94-F96 VanDerWaalsContact O-N 3.11Å; G94-Y120 PolarHBondContact N-O 2.94Å; G94-F126 CarbonylContact O-C 3.48Å; G94-F126 WeakPolarHBondContact O-CA 3.29Å; G94-F126 VanDerWaalsContact O-CB 3.28Å; G94-F126 WeakPolarHBondContact O-CB 3.27Å; G94-F126 PolarHBondContact O-N 3.24Å; G94-F126 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 98.2 | Very high | 98.4 | Very high | 19 Ų | 19 | 17.9 Ų | 17.9 | 9% | 0.089 | 9% | 0.09 | C | C | . | . | trans | -85.2 | 66.3 | 175.1 | -67.7 | -176.2 | -156.7 | 0 | 0 | 111.1 | I92 H93 Y97 D98 L99 P324 | I92-Q95 WeakPolarHBondContact O-CB 3.17Å; I92-Q95 PolarHBondContact O-N 3.48Å; H93-Q95 PolarHBondContact O-N 2.88Å; Q95-Y97 VanDerWaalsContact C-N 3.26Å; Q95-Y97 PolarHBondContact O-N 2.85Å; Q95-D98 HydrophobicContact CB-CB 4.05Å; Q95-D98 PolarHBondContact NE2-OD2 3.14Å; Q95-D98 PolarHBondContact O-N 2.95Å; Q95-L99 PolarHBondContact O-N 2.87Å; Q95-P324 PolarHBondContact NE2-O 3.13Å | ||
| 96 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -56 | -36.3 | -174.1 | -178 | -103.2 | 0 | 0 | 0 | 114.1 | F51 I52 G94 L99 M100 F126 E129 C130 Y133 | F51-F96 HydrophobicContact CB-CD1 4.23Å; F51-F96 HydrophobicContact CB-CE1 3.41Å; F51-F96 VanDerWaalsContact CB-CE1 3.41Å; F51-F96 HydrophobicContact CB-CE2 4.33Å; F51-F96 HydrophobicContact CB-CZ 3.48Å; F51-F96 VanDerWaalsContact CB-CZ 3.48Å; F51-F96 HydrophobicContact CD2-CE2 4.23Å; F51-F96 AromaticContact CD2-CZ 3.98Å; F51-F96 HydrophobicContact CD2-CZ 3.98Å; F51-F96 HydrophobicContact CG-CZ 4.23Å; I52-F96 HydrophobicContact CG1-CE1 4.12Å; G94-F96 VanDerWaalsContact C-N 3.29Å; G94-F96 PolarHBondContact O-N 3.03Å; G94-F96 VanDerWaalsContact O-N 3.11Å; F96-L99 HydrophobicContact CD2-CD2 4.36Å; F96-L99 WeakPolarHBondContact O-CB 3.43Å; F96-L99 PolarHBondContact O-N 2.77Å; F96-M100 HydrophobicContact CD2-CE 4.06Å; F96-M100 HydrophobicContact CE1-CE 4.21Å; F96-M100 HydrophobicContact CE1-CG 4.25Å; F96-M100 HydrophobicContact CE1-SD 4.33Å; F96-M100 HydrophobicContact CE2-CE 3.48Å; F96-M100 VanDerWaalsContact CE2-CE 3.48Å; F96-M100 HydrophobicContact CZ-CE 3.56Å; F96-M100 HydrophobicContact CZ-CG 4.45Å; F96-M100 HydrophobicContact CZ-SD 3.98Å; F96-M100 WeakPolarHBondContact O-CG 3.41Å; F96-M100 PolarHBondContact O-N 3.41Å; F96-M100 VanDerWaalsContact O-N 3.09Å; F96-F126 HydrophobicContact CB-CB 3.5Å; F96-F126 VanDerWaalsContact CB-CB 3.5Å; F96-F126 HydrophobicContact CB-CG 4.34Å; F96-E129 HydrophobicContact CB-CB 4.24Å; F96-E129 HydrophobicContact CD1-CB 4.3Å; F96-E129 HydrophobicContact CD2-CB 3.73Å; F96-E129 HydrophobicContact CE2-CB 4.15Å; F96-E129 HydrophobicContact CG-CB 3.82Å; F96-C130 VanDerWaalsContact CA-SG 3.54Å; F96-Y133 HydrophobicContact CE2-CD1 4.23Å; F96-Y133 AromaticContact CE2-CG 3.93Å; F96-Y133 HydrophobicContact CE2-CG 3.93Å; F96-Y133 HydrophobicContact CZ-CG 4.47Å |
| 97 | Y | 98.5 | Very high | 98.4 | Very high | 25 Ų | 25 | 15.2 Ų | 15.2 | 10% | 0.098 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | 179 | -67.5 | -94.7 | 0 | 0 | 0 | 111.7 | I52 Q95 M100 K101 F126 H354 P355 | I52-Y97 HydrophobicContact CG2-CE1 4.41Å; I52-Y97 WeakPolarHBondContact O-CE1 3.43Å; I52-Y97 PolarHBondContact O-OH 3.11Å; Q95-Y97 VanDerWaalsContact C-N 3.26Å; Q95-Y97 PolarHBondContact O-N 2.85Å; Y97-M100 WeakPolarHBondContact O-CB 3.32Å; Y97-M100 PolarHBondContact O-N 3.38Å; Y97-K101 PolarHBondContact O-N 3.05Å; Y97-F126 HydrophobicContact CD2-CD2 4.08Å; Y97-F126 HydrophobicContact CD2-CE2 4.1Å; Y97-F126 HydrophobicContact CD2-CG 4.38Å; Y97-F126 HydrophobicContact CD2-CZ 4.41Å; Y97-F126 AromaticContact CE2-CD1 3.91Å; Y97-F126 HydrophobicContact CE2-CD1 3.91Å; Y97-F126 HydrophobicContact CE2-CD2 4.04Å; Y97-F126 AromaticContact CE2-CE1 3.76Å; Y97-F126 HydrophobicContact CE2-CE1 3.76Å; Y97-F126 AromaticContact CE2-CE2 3.9Å; Y97-F126 HydrophobicContact CE2-CE2 3.9Å; Y97-F126 HydrophobicContact CE2-CG 4.04Å; Y97-F126 AromaticContact CE2-CZ 3.76Å; Y97-F126 HydrophobicContact CE2-CZ 3.76Å; Y97-H354 HydrophobicContact CD1-CB 4.41Å; Y97-H354 HydrophobicContact CD2-CB 3.33Å; Y97-H354 HydrophobicContact CE2-CB 3.89Å; Y97-H354 HydrophobicContact CG-CB 3.66Å; Y97-P355 HydrophobicContact CE1-CG 4.44Å; Y97-P355 HydrophobicContact CE2-CG 4.19Å; Y97-P355 VanDerWaalsContact OH-CD 3.25Å; Y97-P355 WeakPolarHBondContact OH-CD 3.27Å; Y97-P355 VanDerWaalsContact OH-CG 3.25Å; Y97-P355 WeakPolarHBondContact OH-CG 3.23Å |
| 98 | D | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.8 | -32.1 | 173.3 | -62.2 | -51.8 | 0 | 0 | 0 | 112.2 | Q95 M100 K101 L102 P324 C351 S352 | Q95-D98 HydrophobicContact CB-CB 4.05Å; Q95-D98 PolarHBondContact NE2-OD2 3.14Å; Q95-D98 PolarHBondContact O-N 2.95Å; D98-M100 VanDerWaalsContact C-N 3.26Å; D98-M100 PolarHBondContact O-N 3.32Å; D98-K101 CarbonylContact O-C 3.11Å; D98-K101 WeakPolarHBondContact O-CA 3.42Å; D98-K101 WeakPolarHBondContact O-CB 3.49Å; D98-K101 PolarHBondContact O-N 3.11Å; D98-L102 PolarHBondContact O-N 3.38Å; D98-P324 HydrophobicContact CB-CG 3.78Å; D98-P324 VanDerWaalsContact CG-CG 3.46Å; D98-P324 WeakPolarHBondContact OD1-CG 3.45Å; D98-C351 VanDerWaalsContact OD1-CA 3.24Å; D98-C351 WeakPolarHBondContact OD1-CA 3.49Å; D98-S352 PolarHBondContact OD1-N 3.46Å |
| 99 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -37.4 | 171 | 178.9 | 63.8 | 0 | 0 | 0 | 111.3 | I92 Q95 F96 K101 L102 F103 F116 C130 Y133 L134 | I92-L99 HydrophobicContact CD1-CD1 4.09Å; I92-L99 HydrophobicContact CG2-CB 4.22Å; I92-L99 HydrophobicContact CG2-CD1 4.44Å; Q95-L99 PolarHBondContact O-N 2.87Å; F96-L99 HydrophobicContact CD2-CD2 4.36Å; F96-L99 WeakPolarHBondContact O-CB 3.43Å; F96-L99 PolarHBondContact O-N 2.77Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.75Å; L99-L102 HydrophobicContact CD1-CD1 4.38Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 PolarHBondContact O-N 3.23Å; L99-F103 HydrophobicContact CD1-CD2 4.29Å; L99-F103 HydrophobicContact CD1-CE2 3.59Å; L99-F103 HydrophobicContact CD1-CZ 3.97Å; L99-F103 HydrophobicContact CD2-CE2 4.25Å; L99-F103 HydrophobicContact CG-CD2 4.23Å; L99-F103 HydrophobicContact CG-CE2 3.66Å; L99-F103 HydrophobicContact CG-CZ 4.48Å; L99-F103 WeakPolarHBondContact O-CD2 3.43Å; L99-F103 PolarHBondContact O-N 3.36Å; L99-F116 HydrophobicContact CD1-CE1 3.83Å; L99-F116 HydrophobicContact CD1-CZ 4.12Å; L99-C130 HydrophobicContact CD2-CB 4.35Å; L99-Y133 HydrophobicContact CD2-CD1 4.34Å; L99-L134 HydrophobicContact CD1-CD2 4.3Å; L99-L134 HydrophobicContact CD2-CD1 4.41Å; L99-L134 HydrophobicContact CD2-CD2 4.13Å; L99-L134 HydrophobicContact CD2-CG 4.1Å |
| 100 | M | 98.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.044 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 172.1 | -62.7 | -55.3 | 99.1 | 0 | 0 | 111.4 | K48 I52 F96 Y97 D98 L102 F103 E104 Y133 | K48-M100 HydrophobicContact CB-SD 4.33Å; K48-M100 HydrophobicContact CD-SD 3.65Å; K48-M100 HydrophobicContact CG-SD 3.6Å; K48-M100 VanDerWaalsContact CG-SD 3.6Å; I52-M100 HydrophobicContact CD1-CG 4.06Å; I52-M100 HydrophobicContact CG1-CG 4.16Å; F96-M100 HydrophobicContact CD2-CE 4.06Å; F96-M100 HydrophobicContact CE1-CE 4.21Å; F96-M100 HydrophobicContact CE1-CG 4.25Å; F96-M100 HydrophobicContact CE1-SD 4.33Å; F96-M100 HydrophobicContact CE2-CE 3.48Å; F96-M100 VanDerWaalsContact CE2-CE 3.48Å; F96-M100 HydrophobicContact CZ-CE 3.56Å; F96-M100 HydrophobicContact CZ-CG 4.45Å; F96-M100 HydrophobicContact CZ-SD 3.98Å; F96-M100 WeakPolarHBondContact O-CG 3.41Å; F96-M100 PolarHBondContact O-N 3.41Å; F96-M100 VanDerWaalsContact O-N 3.09Å; Y97-M100 WeakPolarHBondContact O-CB 3.32Å; Y97-M100 PolarHBondContact O-N 3.38Å; D98-M100 VanDerWaalsContact C-N 3.26Å; D98-M100 PolarHBondContact O-N 3.32Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-F103 HydrophobicContact CE-CD2 4.28Å; M100-F103 HydrophobicContact CE-CE2 4.47Å; M100-F103 PolarHBondContact O-N 3.11Å; M100-E104 PolarHBondContact O-N 2.72Å; M100-Y133 HydrophobicContact CE-CD1 3.65Å; M100-Y133 HydrophobicContact CE-CE1 3.49Å; M100-Y133 VanDerWaalsContact CE-CE1 3.49Å; M100-Y133 HydrophobicContact CE-CG 4.36Å; M100-Y133 HydrophobicContact SD-CE1 4.33Å |
| 101 | K | 98.2 | Very high | 98.2 | Very high | 73 Ų | 73 | 27.8 Ų | 27.8 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.4 | -172.4 | 59.2 | 180 | 178.6 | 0 | 112.3 | Y97 D98 L99 F103 E104 V105 F349 | Y97-K101 PolarHBondContact O-N 3.05Å; D98-K101 CarbonylContact O-C 3.11Å; D98-K101 WeakPolarHBondContact O-CA 3.42Å; D98-K101 WeakPolarHBondContact O-CB 3.49Å; D98-K101 PolarHBondContact O-N 3.11Å; L99-K101 VanDerWaalsContact C-N 3.31Å; L99-K101 PolarHBondContact O-N 2.75Å; K101-F103 VanDerWaalsContact C-N 3.3Å; K101-F103 PolarHBondContact O-N 2.85Å; K101-E104 HydrophobicContact CD-CB 4.48Å; K101-E104 VanDerWaalsContact CD-OE2 3.29Å; K101-E104 WeakPolarHBondContact CD-OE2 3.23Å; K101-E104 IonicContact NZ-OE2 3.58Å; K101-E104 PolarHBondContact NZ-OE2 2.82Å; K101-E104 WeakPolarHBondContact O-CB 3.44Å; K101-E104 PolarHBondContact O-N 3.1Å; K101-E104 VanDerWaalsContact O-N 3.14Å; K101-V105 HydrophobicContact CG-CG2 4.47Å; K101-V105 WeakPolarHBondContact O-CG2 3.31Å; K101-V105 PolarHBondContact O-N 3.39Å; K101-F349 HydrophobicContact CB-CD2 4.4Å; K101-F349 HydrophobicContact CG-CB 4.47Å; K101-F349 HydrophobicContact CG-CD2 3.98Å |
| 102 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.2 | -46.2 | 174.7 | -179.3 | 160.3 | 0 | 0 | 0 | 110.8 | C89 I92 D98 L99 M100 E104 V105 G106 Y114 F116 I336 F349 | C89-L102 HydrophobicContact CB-CD1 4.14Å; I92-L102 HydrophobicContact CD1-CD1 3.75Å; D98-L102 PolarHBondContact O-N 3.38Å; L99-L102 HydrophobicContact CD1-CD1 4.38Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 PolarHBondContact O-N 3.23Å; M100-L102 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.13Å; L102-V105 PolarHBondContact O-N 2.74Å; L102-G106 PolarHBondContact O-N 2.91Å; L102-Y114 HydrophobicContact CD2-CE1 3.97Å; L102-F116 HydrophobicContact CD1-CE1 4.23Å; L102-F116 HydrophobicContact CD2-CE1 4.37Å; L102-F116 HydrophobicContact CD2-CZ 4.07Å; L102-I336 HydrophobicContact CD1-CG2 3.93Å; L102-I336 HydrophobicContact CD2-CG2 4.32Å; L102-I336 HydrophobicContact CG-CG2 3.74Å; L102-F349 HydrophobicContact CB-CE1 4.47Å; L102-F349 HydrophobicContact CB-CE2 4.39Å; L102-F349 HydrophobicContact CB-CZ 3.93Å; L102-F349 HydrophobicContact CD1-CZ 4.29Å; L102-F349 HydrophobicContact CG-CZ 4.3Å |
| 103 | F | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -32 | 177.5 | -69.8 | -56.7 | 0 | 0 | 0 | 113.7 | L99 M100 K101 V105 G107 P109 Y114 F116 Y133 L134 L137 F145 | L99-F103 HydrophobicContact CD1-CD2 4.29Å; L99-F103 HydrophobicContact CD1-CE2 3.59Å; L99-F103 HydrophobicContact CD1-CZ 3.97Å; L99-F103 HydrophobicContact CD2-CE2 4.25Å; L99-F103 HydrophobicContact CG-CD2 4.23Å; L99-F103 HydrophobicContact CG-CE2 3.66Å; L99-F103 HydrophobicContact CG-CZ 4.48Å; L99-F103 WeakPolarHBondContact O-CD2 3.43Å; L99-F103 PolarHBondContact O-N 3.36Å; M100-F103 HydrophobicContact CE-CD2 4.28Å; M100-F103 HydrophobicContact CE-CE2 4.47Å; M100-F103 PolarHBondContact O-N 3.11Å; K101-F103 VanDerWaalsContact C-N 3.3Å; K101-F103 PolarHBondContact O-N 2.85Å; F103-V105 VanDerWaalsContact C-N 3.3Å; F103-G107 CarbonylContact O-C 3.37Å; F103-G107 WeakPolarHBondContact O-CA 3.35Å; F103-G107 PolarHBondContact O-N 2.97Å; F103-P109 HydrophobicContact CD1-CG 3.57Å; F103-P109 HydrophobicContact CE1-CG 3.64Å; F103-P109 HydrophobicContact CG-CG 4.28Å; F103-P109 HydrophobicContact CZ-CG 4.38Å; F103-Y114 HydrophobicContact CD1-CE1 4.18Å; F103-Y114 HydrophobicContact CD1-CE2 4.02Å; F103-Y114 AromaticContact CD1-CZ 3.72Å; F103-Y114 HydrophobicContact CE1-CD1 4.41Å; F103-Y114 HydrophobicContact CE1-CD2 4.41Å; F103-Y114 HydrophobicContact CE1-CE1 4.14Å; F103-Y114 HydrophobicContact CE1-CE2 4.13Å; F103-Y114 AromaticContact CE1-CZ 4Å; F103-F116 HydrophobicContact CE1-CE2 4.27Å; F103-F116 AromaticContact CE1-CZ 3.88Å; F103-F116 HydrophobicContact CE1-CZ 3.88Å; F103-F116 HydrophobicContact CZ-CE2 4.29Å; F103-F116 AromaticContact CZ-CZ 3.73Å; F103-F116 HydrophobicContact CZ-CZ 3.73Å; F103-Y133 AromaticContact CD2-CE1 3.9Å; F103-Y133 HydrophobicContact CD2-CE1 3.9Å; F103-Y133 HydrophobicContact CE2-CD1 4.03Å; F103-Y133 AromaticContact CE2-CE1 3.52Å; F103-Y133 HydrophobicContact CE2-CE1 3.52Å; F103-Y133 HydrophobicContact CZ-CE1 4.4Å; F103-L134 HydrophobicContact CZ-CD2 4.01Å; F103-L137 HydrophobicContact CE1-CD1 4.18Å; F103-L137 HydrophobicContact CE2-CD1 3.97Å; F103-L137 HydrophobicContact CZ-CD1 3.57Å; F103-F145 AromaticContact CE1-CE2 3.93Å; F103-F145 HydrophobicContact CE1-CE2 3.93Å; F103-F145 HydrophobicContact CE1-CZ 4.27Å; F103-F145 HydrophobicContact CZ-CE2 4.13Å; F103-F145 HydrophobicContact CZ-CZ 4.02Å |
| 104 | E | 97.7 | Very high | 98.2 | Very high | 122 Ų | 122 | 30.9 Ų | 30.9 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.7 | -37 | 171.1 | -67.4 | 178.6 | -179.5 | 0 | 0 | 112 | M100 K101 L102 | M100-E104 PolarHBondContact O-N 2.72Å; K101-E104 HydrophobicContact CD-CB 4.48Å; K101-E104 VanDerWaalsContact CD-OE2 3.29Å; K101-E104 WeakPolarHBondContact CD-OE2 3.23Å; K101-E104 IonicContact NZ-OE2 3.58Å; K101-E104 PolarHBondContact NZ-OE2 2.82Å; K101-E104 WeakPolarHBondContact O-CB 3.44Å; K101-E104 PolarHBondContact O-N 3.1Å; K101-E104 VanDerWaalsContact O-N 3.14Å; L102-E104 PolarHBondContact O-N 3.13Å |
| 105 | V | 97.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -83.1 | -39.9 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | K101 L102 F103 I336 R347 F349 | K101-V105 HydrophobicContact CG-CG2 4.47Å; K101-V105 WeakPolarHBondContact O-CG2 3.31Å; K101-V105 PolarHBondContact O-N 3.39Å; L102-V105 PolarHBondContact O-N 2.74Å; F103-V105 VanDerWaalsContact C-N 3.3Å; V105-I336 HydrophobicContact CB-CD1 4.38Å; V105-I336 HydrophobicContact CG1-CD1 4Å; V105-R347 HydrophobicContact CG1-CB 3.8Å; V105-F349 HydrophobicContact CG2-CB 4.03Å; V105-F349 HydrophobicContact CG2-CG 4.48Å |
| 106 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.7 | -35.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L102 Y114 K338 | L102-G106 PolarHBondContact O-N 2.91Å; G106-Y114 VanDerWaalsContact C-OH 3.23Å; G106-Y114 VanDerWaalsContact CA-OH 3.31Å; G106-Y114 WeakPolarHBondContact CA-OH 3.32Å; G106-K338 PolarHBondContact O-NZ 2.93Å |
| 107 | G | 97.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 30 Ų | 30 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | trans | 116.8 | 157.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F103 Y114 | F103-G107 CarbonylContact O-C 3.37Å; F103-G107 WeakPolarHBondContact O-CA 3.35Å; F103-G107 PolarHBondContact O-N 2.97Å; G107-Y114 PolarHBondContact N-OH 2.82Å; G107-Y114 WeakPolarHBondContact O-CE2 3.45Å; G107-Y114 PolarHBondContact O-OH 2.98Å | ||
| 108 | P | 97.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 49% | 0.494 | 17% | 0.166 | S | C | . | . | trans | -64.5 | 134.4 | -175.1 | 24.6 | -31.6 | 0 | 0 | 0 | 111.2 | A110 T111 T112 | P108-A110 PolarHBondContact O-N 2.75Å; P108-A110 VanDerWaalsContact O-N 3.08Å; P108-T111 PolarHBondContact O-N 3.05Å; P108-T112 VanDerWaalsContact O-CB 3.24Å; P108-T112 WeakPolarHBondContact O-CB 3.32Å; P108-T112 PolarHBondContact O-N 2.91Å; P108-T112 PolarHBondContact O-OG1 3.33Å | ||
| 109 | P | 97.9 | Very high | 98.3 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.5 | 178.8 | -28.4 | 36 | 0 | 0 | 0 | 114.6 | F103 T111 Y114 L137 Y141 F145 | F103-P109 HydrophobicContact CD1-CG 3.57Å; F103-P109 HydrophobicContact CE1-CG 3.64Å; F103-P109 HydrophobicContact CG-CG 4.28Å; F103-P109 HydrophobicContact CZ-CG 4.38Å; P109-T111 PolarHBondContact O-N 3.08Å; P109-Y114 HydrophobicContact CB-CD2 4.44Å; P109-Y114 HydrophobicContact CB-CE2 4.46Å; P109-Y114 HydrophobicContact CG-CD2 4.48Å; P109-Y114 HydrophobicContact CG-CE2 4.17Å; P109-L137 HydrophobicContact CB-CD1 4.43Å; P109-L137 HydrophobicContact CB-CD2 3.97Å; P109-L137 HydrophobicContact CG-CD1 3.97Å; P109-L137 HydrophobicContact CG-CD2 4.06Å; P109-Y141 HydrophobicContact CB-CD2 4.11Å; P109-Y141 HydrophobicContact CB-CE2 4.05Å; P109-F145 HydrophobicContact CB-CD2 4.2Å; P109-F145 HydrophobicContact CB-CE2 4.22Å; P109-F145 HydrophobicContact CG-CE2 4.35Å |
| 110 | A | 97.1 | Very high | 98.3 | Very high | 60 Ų | 60 | 28.6 Ų | 28.6 | 50% | 0.496 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P108 Y141 | P108-A110 PolarHBondContact O-N 2.75Å; P108-A110 VanDerWaalsContact O-N 3.08Å; A110-Y141 HydrophobicContact CB-CE1 4.08Å; A110-Y141 WeakPolarHBondContact CB-OH 3.45Å |
| 111 | T | 97.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 28.1 Ų | 28.1 | 72% | 0.718 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | 3.3 | -177.8 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | P108 P109 | P108-T111 PolarHBondContact O-N 3.05Å; P109-T111 PolarHBondContact O-N 3.08Å |
| 112 | T | 98.2 | Very high | 98.1 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -127.9 | 126.7 | -173.1 | -47.7 | 0 | 0 | 0 | 0 | 109.2 | P108 Y114 | P108-T112 VanDerWaalsContact O-CB 3.24Å; P108-T112 WeakPolarHBondContact O-CB 3.32Å; P108-T112 PolarHBondContact O-N 2.91Å; P108-T112 PolarHBondContact O-OG1 3.33Å; T112-Y114 HydrophobicContact CG2-CD2 4.25Å; T112-Y114 HydrophobicContact CG2-CE2 3.75Å; T112-Y114 WeakPolarHBondContact O-CD2 3.39Å |
| 113 | K | 98.7 | Very high | 97.7 | Very high | 49 Ų | 49 | 25 Ų | 25 | 21% | 0.213 | 15% | 0.149 | C | C | . | . | trans | -76.2 | 133.6 | 174.9 | -168.4 | -176.9 | -55.3 | 176.7 | 0 | 110 | I82 E83 P85 V86 T87 S144 F146 | I82-K113 HydrophobicContact CG2-CD 3.76Å; E83-K113 WeakPolarHBondContact O-CD 3.34Å; E83-K113 PolarHBondContact O-NZ 3.19Å; P85-K113 VanDerWaalsContact O-CB 3.31Å; P85-K113 WeakPolarHBondContact O-CB 3.49Å; P85-K113 WeakPolarHBondContact O-CD 3.44Å; V86-K113 HydrophobicContact CB-CD 4.31Å; V86-K113 HydrophobicContact CB-CG 4.49Å; V86-K113 HydrophobicContact CG2-CD 4.43Å; V86-K113 HydrophobicContact CG2-CG 4.26Å; T87-K113 PolarHBondContact N-O 2.76Å; K113-S144 CarbonylContact C-O 3.45Å; K113-S144 WeakPolarHBondContact CA-O 3.41Å; K113-S144 WeakPolarHBondContact CG-O 3.32Å; K113-F146 HydrophobicContact CD-CE2 4.13Å; K113-F146 HydrophobicContact CG-CD2 4.41Å; K113-F146 HydrophobicContact CG-CE2 3.99Å | ||
| 114 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.8 | -177.9 | -83.8 | -84.8 | 0 | 0 | 0 | 112 | T87 L102 F103 G106 G107 P109 T112 F116 S144 F145 F146 | T87-Y114 HydrophobicContact CG2-CD1 3.92Å; T87-Y114 HydrophobicContact CG2-CE1 3.5Å; T87-Y114 VanDerWaalsContact CG2-CE1 3.5Å; T87-Y114 CarbonylContact O-C 3.58Å; T87-Y114 WeakPolarHBondContact O-CA 3.49Å; L102-Y114 HydrophobicContact CD2-CE1 3.97Å; F103-Y114 HydrophobicContact CD1-CE1 4.18Å; F103-Y114 HydrophobicContact CD1-CE2 4.02Å; F103-Y114 AromaticContact CD1-CZ 3.72Å; F103-Y114 HydrophobicContact CE1-CD1 4.41Å; F103-Y114 HydrophobicContact CE1-CD2 4.41Å; F103-Y114 HydrophobicContact CE1-CE1 4.14Å; F103-Y114 HydrophobicContact CE1-CE2 4.13Å; F103-Y114 AromaticContact CE1-CZ 4Å; G106-Y114 VanDerWaalsContact C-OH 3.23Å; G106-Y114 VanDerWaalsContact CA-OH 3.31Å; G106-Y114 WeakPolarHBondContact CA-OH 3.32Å; G107-Y114 PolarHBondContact N-OH 2.82Å; G107-Y114 WeakPolarHBondContact O-CE2 3.45Å; G107-Y114 PolarHBondContact O-OH 2.98Å; P109-Y114 HydrophobicContact CB-CD2 4.44Å; P109-Y114 HydrophobicContact CB-CE2 4.46Å; P109-Y114 HydrophobicContact CG-CD2 4.48Å; P109-Y114 HydrophobicContact CG-CE2 4.17Å; T112-Y114 HydrophobicContact CG2-CD2 4.25Å; T112-Y114 HydrophobicContact CG2-CE2 3.75Å; T112-Y114 WeakPolarHBondContact O-CD2 3.39Å; Y114-F116 AromaticContact CD1-CE2 3.81Å; Y114-F116 HydrophobicContact CD1-CE2 3.81Å; Y114-F116 HydrophobicContact CD1-CZ 4.23Å; Y114-F116 HydrophobicContact CG-CE2 4.09Å; Y114-S144 PolarHBondContact N-O 2.83Å; Y114-F145 HydrophobicContact CD2-CD2 4.18Å; Y114-F145 HydrophobicContact CD2-CE2 4.07Å; Y114-F145 HydrophobicContact CG-CD2 4.25Å; Y114-F145 HydrophobicContact CG-CE2 4.02Å; Y114-F146 WeakPolarHBondContact O-CD2 3.33Å; Y114-F146 PolarHBondContact O-N 2.83Å |
| 115 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.9 | 166.8 | 172.4 | 63 | 0 | 0 | 0 | 108.2 | I82 V86 T87 V88 C89 L117 F146 L148 A190 C198 | I82-L115 HydrophobicContact CD1-CB 4.35Å; I82-L115 HydrophobicContact CD1-CD1 3.74Å; I82-L115 HydrophobicContact CD1-CD2 4.17Å; I82-L115 HydrophobicContact CD1-CG 4.31Å; V86-L115 HydrophobicContact CG2-CB 3.98Å; T87-L115 PolarHBondContact O-N 2.82Å; V88-L115 CarbonylContact C-O 3.51Å; V88-L115 VanDerWaalsContact CA-O 3.28Å; V88-L115 WeakPolarHBondContact CA-O 3.33Å; V88-L115 HydrophobicContact CG1-CD2 4.33Å; V88-L115 HydrophobicContact CG1-CG 4.47Å; V88-L115 HydrophobicContact CG2-CB 4.42Å; V88-L115 HydrophobicContact CG2-CD2 4.3Å; C89-L115 PolarHBondContact N-O 3.37Å; L115-L117 HydrophobicContact CD2-CD2 4.07Å; L115-L117 HydrophobicContact CG-CD2 4.06Å; L115-F146 WeakPolarHBondContact CA-O 3.2Å; L115-F146 HydrophobicContact CD1-CB 3.9Å; L115-L148 HydrophobicContact CD1-CD1 4.11Å; L115-L148 HydrophobicContact CD1-CD2 4.14Å; L115-L148 HydrophobicContact CD1-CG 3.8Å; L115-A190 HydrophobicContact CD1-CB 4.07Å; L115-A190 HydrophobicContact CD2-CB 3.94Å; L115-C198 HydrophobicContact CD2-CB 3.71Å |
| 116 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.6 | 171.1 | -70.6 | -106.7 | 0 | 0 | 0 | 110.2 | C89 I92 L99 L102 F103 Y114 Y120 L134 F145 F146 L147 L148 | C89-F116 HydrophobicContact CB-CD1 3.53Å; C89-F116 HydrophobicContact CB-CE1 3.68Å; C89-F116 HydrophobicContact CB-CG 3.98Å; C89-F116 HydrophobicContact CB-CZ 4.23Å; C89-F116 WeakPolarHBondContact O-CA 3.25Å; I92-F116 HydrophobicContact CD1-CD1 4.15Å; I92-F116 HydrophobicContact CD1-CE1 3.92Å; I92-F116 HydrophobicContact CG1-CD1 4.07Å; I92-F116 HydrophobicContact CG1-CE1 4.19Å; L99-F116 HydrophobicContact CD1-CE1 3.83Å; L99-F116 HydrophobicContact CD1-CZ 4.12Å; L102-F116 HydrophobicContact CD1-CE1 4.23Å; L102-F116 HydrophobicContact CD2-CE1 4.37Å; L102-F116 HydrophobicContact CD2-CZ 4.07Å; F103-F116 HydrophobicContact CE1-CE2 4.27Å; F103-F116 AromaticContact CE1-CZ 3.88Å; F103-F116 HydrophobicContact CE1-CZ 3.88Å; F103-F116 HydrophobicContact CZ-CE2 4.29Å; F103-F116 AromaticContact CZ-CZ 3.73Å; F103-F116 HydrophobicContact CZ-CZ 3.73Å; Y114-F116 AromaticContact CD1-CE2 3.81Å; Y114-F116 HydrophobicContact CD1-CE2 3.81Å; Y114-F116 HydrophobicContact CD1-CZ 4.23Å; Y114-F116 HydrophobicContact CG-CE2 4.09Å; F116-Y120 HydrophobicContact CB-CE1 3.72Å; F116-Y120 HydrophobicContact CD1-CE1 4.37Å; F116-Y120 HydrophobicContact CG-CE1 4.33Å; F116-L134 HydrophobicContact CE1-CD2 4.18Å; F116-L134 HydrophobicContact CE2-CD2 4.18Å; F116-L134 HydrophobicContact CZ-CD2 3.95Å; F116-F145 HydrophobicContact CD2-CE1 4.45Å; F116-F145 HydrophobicContact CD2-CZ 4.08Å; F116-F145 HydrophobicContact CE2-CE1 4.27Å; F116-F145 AromaticContact CE2-CE2 3.84Å; F116-F145 HydrophobicContact CE2-CE2 3.84Å; F116-F145 AromaticContact CE2-CZ 3.48Å; F116-F145 HydrophobicContact CE2-CZ 3.48Å; F116-F145 VanDerWaalsContact CE2-CZ 3.48Å; F116-F145 HydrophobicContact CZ-CZ 4.25Å; F116-F146 PolarHBondContact N-O 3.23Å; F116-L147 HydrophobicContact CB-CD2 3.92Å; F116-L147 HydrophobicContact CD2-CD2 3.97Å; F116-L147 HydrophobicContact CG-CD2 4.09Å; F116-L148 WeakPolarHBondContact O-CB 3.23Å; F116-L148 PolarHBondContact O-N 3.5Å |
| 117 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -87.6 | -11.6 | -171.8 | -60.4 | -178.1 | 0 | 0 | 0 | 114.7 | V88 C89 L115 L148 C198 H200 I293 A295 I320 | V88-L117 HydrophobicContact CG1-CD1 3.82Å; V88-L117 HydrophobicContact CG1-CD2 3.93Å; V88-L117 HydrophobicContact CG1-CG 3.84Å; C89-L117 WeakPolarHBondContact O-CG 3.32Å; C89-L117 PolarHBondContact O-N 3.41Å; L115-L117 HydrophobicContact CD2-CD2 4.07Å; L115-L117 HydrophobicContact CG-CD2 4.06Å; L117-L148 HydrophobicContact CD2-CD1 3.79Å; L117-C198 HydrophobicContact CD2-CB 3.81Å; L117-H200 VanDerWaalsContact O-CB 3.3Å; L117-H200 WeakPolarHBondContact O-CB 3.41Å; L117-H200 PolarHBondContact O-ND1 2.95Å; L117-I293 HydrophobicContact CD1-CG2 4.2Å; L117-A295 HydrophobicContact CB-CB 3.83Å; L117-A295 HydrophobicContact CD1-CB 4Å; L117-I320 HydrophobicContact CD1-CG2 3.61Å | ||
| 118 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 138.4 | -169.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 119 | D | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | 53.9 | 62.8 | 174 | -72.8 | 2.5 | 0 | 0 | 0 | 113 | D91 I92 H93 G150 N151 H152 E153 H200 | D91-D119 HydrophobicContact CB-CB 3.95Å; I92-D119 PolarHBondContact N-O 3.32Å; H93-D119 IonicContact CE1-OD2 3.27Å; H93-D119 PolarHBondContact N-O 3.15Å; H93-D119 IonicContact NE2-OD2 3.35Å; D119-G150 WeakPolarHBondContact OD1-CA 3.29Å; D119-N151 PolarHBondContact OD1-N 2.74Å; D119-N151 PolarHBondContact OD1-OD1 3.21Å; D119-N151 VanDerWaalsContact OD1-OD1 3.11Å; D119-N151 PolarHBondContact OD2-OD1 2.74Å; D119-H152 WeakPolarHBondContact OD1-CB 2.97Å; D119-H152 IonicContact OD1-CD2 3.32Å; D119-H152 IonicContact OD1-CG 3.12Å; D119-H152 PolarHBondContact OD1-N 3Å; D119-H152 IonicContact OD2-CD2 3.2Å; D119-H152 PolarHBondContact OD2-CD2 3.18Å; D119-E153 WeakPolarHBondContact CA-OE1 3.44Å; D119-E153 PolarHBondContact N-OE1 3.3Å; D119-E153 PolarHBondContact N-OE2 2.92Å; D119-H200 IonicContact OD1-CD2 3.97Å; D119-H200 IonicContact OD1-CE1 3.9Å; D119-H200 IonicContact OD1-NE2 3.61Å; D119-H200 PolarHBondContact OD1-NE2 3.13Å; D119-H200 IonicContact OD2-CE1 2.72Å; D119-H200 PolarHBondContact OD2-CE1 3.06Å; D119-H200 IonicContact OD2-NE2 3.23Å; D119-H200 PolarHBondContact OD2-NE2 2.72Å | ||
| 120 | Y | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -79.5 | -27.5 | 176.5 | -49.9 | -53.8 | 0 | 0 | 0 | 112.5 | I92 G94 F116 L134 W135 L147 L148 E153 L186 | I92-Y120 HydrophobicContact CG1-CD1 4.5Å; G94-Y120 PolarHBondContact N-O 2.94Å; F116-Y120 HydrophobicContact CB-CE1 3.72Å; F116-Y120 HydrophobicContact CD1-CE1 4.37Å; F116-Y120 HydrophobicContact CG-CE1 4.33Å; Y120-L134 HydrophobicContact CD1-CD1 3.53Å; Y120-L134 HydrophobicContact CE1-CD1 4.01Å; Y120-L134 HydrophobicContact CG-CD1 4.1Å; Y120-W135 AromaticContact CD2-CH2 3.98Å; Y120-W135 HydrophobicContact CD2-CH2 3.98Å; Y120-W135 HydrophobicContact CD2-CZ3 4.02Å; Y120-W135 HydrophobicContact CE2-CH2 4.18Å; Y120-W135 HydrophobicContact CE2-CZ3 4.33Å; Y120-L147 HydrophobicContact CE1-CD2 4.13Å; Y120-L147 VanDerWaalsContact OH-CA 3.31Å; Y120-L147 WeakPolarHBondContact OH-CA 3.42Å; Y120-L147 WeakPolarHBondContact OH-CB 3.48Å; Y120-L148 WeakPolarHBondContact CE2-O 3.21Å; Y120-L148 PolarHBondContact OH-N 3.26Å; Y120-L148 PolarHBondContact OH-O 2.84Å; Y120-E153 HydrophobicContact CD2-CG 3.83Å; Y120-E153 WeakPolarHBondContact CD2-OE1 3.09Å; Y120-E153 HydrophobicContact CE2-CG 4.29Å; Y120-E153 PolarHBondContact N-OE1 2.81Å; Y120-L186 HydrophobicContact CE2-CD1 4.03Å; Y120-L186 HydrophobicContact CE2-CD2 4.33Å | ||
| 121 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -118.7 | 176.5 | -167.2 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | H93 V131 H152 T158 F163 F183 | H93-V121 PolarHBondContact ND1-O 3.45Å; H93-V121 VanDerWaalsContact ND1-O 3.1Å; V121-V131 HydrophobicContact CG1-CG2 3.49Å; V121-V131 VanDerWaalsContact CG1-CG2 3.49Å; V121-H152 HydrophobicContact CG2-CB 4.16Å; V121-T158 HydrophobicContact CG2-CG2 3.79Å; V121-F163 HydrophobicContact CB-CB 4.19Å; V121-F163 HydrophobicContact CB-CD1 4.17Å; V121-F163 HydrophobicContact CB-CD2 4.03Å; V121-F163 HydrophobicContact CB-CE2 4.42Å; V121-F163 HydrophobicContact CB-CG 3.88Å; V121-F163 HydrophobicContact CG1-CD1 4.15Å; V121-F163 HydrophobicContact CG1-CD2 3.96Å; V121-F163 HydrophobicContact CG1-CE1 4.04Å; V121-F163 HydrophobicContact CG1-CE2 3.83Å; V121-F163 HydrophobicContact CG1-CG 4.1Å; V121-F163 HydrophobicContact CG1-CZ 3.87Å; V121-F163 HydrophobicContact CG2-CB 4.47Å; V121-F163 HydrophobicContact CG2-CD1 4.24Å; V121-F163 HydrophobicContact CG2-CG 4.31Å; V121-F183 HydrophobicContact CG1-CE2 4.22Å; V121-F183 HydrophobicContact CG1-CZ 3.75Å; V121-F183 HydrophobicContact CG2-CE2 4.15Å; V121-F183 HydrophobicContact CG2-CZ 4.46Å |
| 122 | D | 95.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 63.5 | 169.2 | -176.1 | -65.5 | -40 | 0 | 0 | 0 | 113.5 | H93 G124 S127 H152 F161 T162 F163 | H93-D122 CarbonylContact C-O 3.55Å; H93-D122 WeakPolarHBondContact CA-O 3.2Å; H93-D122 VanDerWaalsContact O-O 3.12Å; D122-G124 PolarHBondContact O-N 3.23Å; D122-S127 PolarHBondContact N-OG 2.85Å; D122-S127 VanDerWaalsContact N-OG 3.09Å; D122-H152 VanDerWaalsContact CB-ND1 3.33Å; D122-H152 WeakPolarHBondContact CB-ND1 3.28Å; D122-H152 IonicContact OD2-CE1 2.79Å; D122-H152 IonicContact OD2-CG 3.59Å; D122-H152 IonicContact OD2-ND1 2.81Å; D122-H152 PolarHBondContact OD2-ND1 3.13Å; D122-F161 HydrophobicContact CB-CB 3.71Å; D122-F161 HydrophobicContact CB-CD2 4.48Å; D122-F161 HydrophobicContact CB-CG 4.15Å; D122-F161 VanDerWaalsContact OD1-CB 3.25Å; D122-F161 WeakPolarHBondContact OD1-CB 3.39Å; D122-T162 PolarHBondContact OD1-N 3.08Å; D122-F163 WeakPolarHBondContact OD1-CB 3.3Å; D122-F163 PolarHBondContact OD1-N 3.13Å |
| 123 | R | 90.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 6.4 Ų | 6.4 | 3% | 0.03 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 72.3 | -62.8 | 174.5 | -36.9 | -55 | -70.1 | -118.1 | -10.4 | 112.3 | H93 Y326 L327 D483 N486 E487 | H93-R123 HydrophobicContact CB-CB 4.11Å; H93-R123 HydrophobicContact CB-CG 4.26Å; H93-R123 WeakPolarHBondContact ND1-CG 3.35Å; R123-Y326 HydrophobicContact CB-CE2 4.03Å; R123-Y326 HydrophobicContact CG-CE2 4.27Å; R123-Y326 WeakPolarHBondContact CG-OH 3.43Å; R123-Y326 PolarHBondContact NE-OH 3.11Å; R123-Y326 PolarHBondContact NH2-OH 3.08Å; R123-L327 HydrophobicContact CB-CD2 3.68Å; R123-D483 IonicContact NH2-OD1 2.98Å; R123-D483 PolarHBondContact NH2-OD1 2.98Å; R123-D483 IonicContact NH2-OD2 3.9Å; R123-D483 PolarHBondContact NH2-OD2 3.17Å; R123-N486 PolarHBondContact NH1-O 3.25Å; R123-E487 IonicContact NH1-OE1 2.66Å; R123-E487 IonicContact NH2-OE1 3.74Å; R123-E487 PolarHBondContact NH2-OE1 2.69Å |
| 124 | G | 91.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 4.1 Ų | 4.1 | 16% | 0.155 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -78.3 | 160.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H93 D122 S127 | H93-G124 WeakPolarHBondContact O-CA 3.49Å; H93-G124 PolarHBondContact O-N 2.92Å; D122-G124 PolarHBondContact O-N 3.23Å; G124-S127 PolarHBondContact O-OG 3.35Å |
| 125 | Y | 96 | Very high | 97.7 | Very high | 40 Ų | 40 | 4.1 Ų | 4.1 | 16% | 0.157 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -100.5 | 14.7 | -173.6 | -66.6 | -31.8 | 0 | 0 | 0 | 115.1 | T162 K170 W357 P359 N360 F361 | Y125-T162 HydrophobicContact CE1-CG2 4.1Å; Y125-K170 PolarHBondContact O-NZ 3.09Å; Y125-W357 HydrophobicContact CD2-CB 3.48Å; Y125-W357 VanDerWaalsContact CD2-CB 3.48Å; Y125-W357 HydrophobicContact CD2-CG 4.46Å; Y125-W357 HydrophobicContact CE2-CB 4.13Å; Y125-W357 HydrophobicContact CG-CB 4.12Å; Y125-P359 VanDerWaalsContact OH-CA 3.31Å; Y125-P359 WeakPolarHBondContact OH-CA 3.34Å; Y125-N360 PolarHBondContact OH-N 3.31Å; Y125-F361 HydrophobicContact CD1-CE1 4.12Å; Y125-F361 AromaticContact CD1-CE2 3.78Å; Y125-F361 HydrophobicContact CD1-CE2 3.78Å; Y125-F361 AromaticContact CD1-CZ 3.51Å; Y125-F361 HydrophobicContact CD1-CZ 3.51Å; Y125-F361 HydrophobicContact CE1-CE2 4.28Å; Y125-F361 HydrophobicContact CE1-CZ 4.41Å; Y125-F361 HydrophobicContact CG-CE1 4.08Å; Y125-F361 AromaticContact CG-CZ 3.91Å; Y125-F361 HydrophobicContact CG-CZ 3.91Å |
| 126 | F | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 4.1 Ų | 4.1 | 4% | 0.035 | 2% | 0.021 | C | C | . | . | trans | -126.7 | 35.1 | 176.8 | -47.8 | -85.2 | 0 | 0 | 0 | 111.8 | G94 F96 Y97 E129 C130 H354 P355 W357 | G94-F126 CarbonylContact O-C 3.48Å; G94-F126 WeakPolarHBondContact O-CA 3.29Å; G94-F126 VanDerWaalsContact O-CB 3.28Å; G94-F126 WeakPolarHBondContact O-CB 3.27Å; G94-F126 PolarHBondContact O-N 3.24Å; G94-F126 VanDerWaalsContact O-N 3.08Å; F96-F126 HydrophobicContact CB-CB 3.5Å; F96-F126 VanDerWaalsContact CB-CB 3.5Å; F96-F126 HydrophobicContact CB-CG 4.34Å; Y97-F126 HydrophobicContact CD2-CD2 4.08Å; Y97-F126 HydrophobicContact CD2-CE2 4.1Å; Y97-F126 HydrophobicContact CD2-CG 4.38Å; Y97-F126 HydrophobicContact CD2-CZ 4.41Å; Y97-F126 AromaticContact CE2-CD1 3.91Å; Y97-F126 HydrophobicContact CE2-CD1 3.91Å; Y97-F126 HydrophobicContact CE2-CD2 4.04Å; Y97-F126 AromaticContact CE2-CE1 3.76Å; Y97-F126 HydrophobicContact CE2-CE1 3.76Å; Y97-F126 AromaticContact CE2-CE2 3.9Å; Y97-F126 HydrophobicContact CE2-CE2 3.9Å; Y97-F126 HydrophobicContact CE2-CG 4.04Å; Y97-F126 AromaticContact CE2-CZ 3.76Å; Y97-F126 HydrophobicContact CE2-CZ 3.76Å; F126-E129 VanDerWaalsContact C-OE2 3.28Å; F126-E129 WeakPolarHBondContact CA-OE2 3.48Å; F126-E129 HydrophobicContact CB-CB 4.47Å; F126-E129 PolarHBondContact O-N 2.79Å; F126-C130 PolarHBondContact O-N 3.25Å; F126-C130 VanDerWaalsContact O-N 3.07Å; F126-C130 PolarHBondContact O-SG 3.46Å; F126-C130 VanDerWaalsContact O-SG 3.41Å; F126-H354 HydrophobicContact CE2-CB 3.9Å; F126-H354 AromaticContact CE2-ND1 3.86Å; F126-H354 HydrophobicContact CZ-CB 4.38Å; F126-P355 HydrophobicContact CZ-CB 4.08Å; F126-P355 HydrophobicContact CZ-CG 4.26Å; F126-P355 WeakPolarHBondContact CZ-O 3.42Å; F126-W357 AromaticContact CE1-CD1 3.95Å; F126-W357 AromaticContact CE1-NE1 3.83Å; F126-W357 AromaticContact CZ-CD1 3.83Å | ||
| 127 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | -178.7 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | D122 G124 E129 C130 V131 F163 E166 | D122-S127 PolarHBondContact N-OG 2.85Å; D122-S127 VanDerWaalsContact N-OG 3.09Å; G124-S127 PolarHBondContact O-OG 3.35Å; S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 3.43Å; S127-C130 WeakPolarHBondContact O-CB 3.38Å; S127-C130 PolarHBondContact O-N 3.29Å; S127-V131 WeakPolarHBondContact O-CG2 3.43Å; S127-V131 PolarHBondContact O-N 3.27Å; S127-F163 VanDerWaalsContact CB-CD2 3.44Å; S127-E166 WeakPolarHBondContact CB-OE2 3.5Å; S127-E166 PolarHBondContact N-OE1 3.27Å; S127-E166 PolarHBondContact N-OE2 3.12Å; S127-E166 PolarHBondContact OG-OE2 2.93Å |
| 128 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -70 | -33.4 | -179.1 | -167.5 | 56.7 | 0 | 0 | 0 | 111.5 | V131 L132 F163 E166 K170 Y171 V175 | I128-V131 PolarHBondContact O-N 3.26Å; I128-L132 HydrophobicContact CD1-CD1 4.48Å; I128-L132 HydrophobicContact CD1-CG 4.24Å; I128-L132 HydrophobicContact CG1-CD1 4.03Å; I128-L132 HydrophobicContact CG1-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.32Å; I128-F163 HydrophobicContact CB-CE2 4.17Å; I128-F163 HydrophobicContact CD1-CE2 4.22Å; I128-F163 HydrophobicContact CD1-CZ 4.21Å; I128-E166 HydrophobicContact CG2-CG 4.32Å; I128-E166 WeakPolarHBondContact CG2-OE1 3.48Å; I128-E166 PolarHBondContact N-OE1 3.05Å; I128-K170 HydrophobicContact CG2-CB 4.43Å; I128-K170 HydrophobicContact CG2-CD 3.57Å; I128-Y171 HydrophobicContact CB-CE2 4.44Å; I128-Y171 HydrophobicContact CG1-CD2 3.87Å; I128-Y171 HydrophobicContact CG1-CE2 3.72Å; I128-Y171 HydrophobicContact CG2-CD2 4.19Å; I128-Y171 HydrophobicContact CG2-CE2 3.76Å; I128-V175 HydrophobicContact CD1-CG1 3.92Å |
| 129 | E | 98.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 4.6 Ų | 4.6 | 2% | 0.023 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 172.4 | -65.6 | 81.6 | 176.6 | 0 | 0 | 111 | F51 F96 F126 S127 Y133 K170 | F51-E129 HydrophobicContact CB-CB 4.24Å; F51-E129 HydrophobicContact CB-CG 4.03Å; F51-E129 HydrophobicContact CD1-CG 3.91Å; F51-E129 HydrophobicContact CD2-CB 4.23Å; F51-E129 HydrophobicContact CD2-CG 4.44Å; F51-E129 HydrophobicContact CE1-CG 4.49Å; F51-E129 HydrophobicContact CG-CB 4.13Å; F51-E129 HydrophobicContact CG-CG 3.9Å; F96-E129 HydrophobicContact CB-CB 4.24Å; F96-E129 HydrophobicContact CD1-CB 4.3Å; F96-E129 HydrophobicContact CD2-CB 3.73Å; F96-E129 HydrophobicContact CE2-CB 4.15Å; F96-E129 HydrophobicContact CG-CB 3.82Å; F126-E129 VanDerWaalsContact C-OE2 3.28Å; F126-E129 WeakPolarHBondContact CA-OE2 3.48Å; F126-E129 HydrophobicContact CB-CB 4.47Å; F126-E129 PolarHBondContact O-N 2.79Å; S127-E129 VanDerWaalsContact C-N 3.33Å; S127-E129 PolarHBondContact O-N 3.43Å; E129-Y133 WeakPolarHBondContact O-CB 3.43Å; E129-Y133 PolarHBondContact O-N 3.05Å; E129-K170 IonicContact OE1-NZ 3.27Å; E129-K170 PolarHBondContact OE1-NZ 2.83Å; E129-K170 IonicContact OE2-NZ 2.89Å; E129-K170 PolarHBondContact OE2-NZ 3.45Å |
| 130 | C | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.8 | -52.6 | 171.5 | -73.2 | 0 | 0 | 0 | 0 | 111.6 | F96 L99 F126 S127 Y133 L134 | F96-C130 VanDerWaalsContact CA-SG 3.54Å; L99-C130 HydrophobicContact CD2-CB 4.35Å; F126-C130 PolarHBondContact O-N 3.25Å; F126-C130 VanDerWaalsContact O-N 3.07Å; F126-C130 PolarHBondContact O-SG 3.46Å; F126-C130 VanDerWaalsContact O-SG 3.41Å; S127-C130 WeakPolarHBondContact O-CB 3.38Å; S127-C130 PolarHBondContact O-N 3.29Å; C130-Y133 PolarHBondContact O-N 2.92Å; C130-L134 WeakPolarHBondContact O-CB 3.14Å; C130-L134 VanDerWaalsContact O-CG 3.24Å; C130-L134 WeakPolarHBondContact O-CG 3.44Å; C130-L134 PolarHBondContact O-N 3.38Å |
| 131 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.3 | -53.1 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V121 S127 I128 Y133 L134 W135 F163 F183 | V121-V131 HydrophobicContact CG1-CG2 3.49Å; V121-V131 VanDerWaalsContact CG1-CG2 3.49Å; S127-V131 WeakPolarHBondContact O-CG2 3.43Å; S127-V131 PolarHBondContact O-N 3.27Å; I128-V131 PolarHBondContact O-N 3.26Å; V131-Y133 VanDerWaalsContact C-N 3.28Å; V131-Y133 PolarHBondContact O-N 2.79Å; V131-L134 PolarHBondContact O-N 2.88Å; V131-W135 HydrophobicContact CB-CE3 4.32Å; V131-W135 HydrophobicContact CB-CZ3 4.33Å; V131-W135 HydrophobicContact CG1-CD2 3.99Å; V131-W135 HydrophobicContact CG1-CE3 3.82Å; V131-W135 HydrophobicContact CG1-CH2 4.36Å; V131-W135 HydrophobicContact CG1-CZ3 4Å; V131-W135 HydrophobicContact CG2-CZ3 4.31Å; V131-W135 VanDerWaalsContact O-CB 3.29Å; V131-W135 WeakPolarHBondContact O-CB 3.28Å; V131-W135 PolarHBondContact O-N 2.99Å; V131-F163 HydrophobicContact CG2-CE2 4.49Å; V131-F163 HydrophobicContact CG2-CZ 4.18Å; V131-F183 HydrophobicContact CG1-CE1 4.46Å; V131-F183 HydrophobicContact CG2-CE1 4.18Å; V131-F183 HydrophobicContact CG2-CZ 3.96Å |
| 132 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | -177.7 | -69.9 | 174.1 | 0 | 0 | 0 | 112.3 | F51 I57 A62 I65 I66 I128 A136 Y171 | F51-L132 HydrophobicContact CE1-CD1 4.5Å; F51-L132 HydrophobicContact CE2-CB 3.9Å; F51-L132 HydrophobicContact CZ-CB 3.91Å; F51-L132 HydrophobicContact CZ-CD1 3.86Å; I57-L132 HydrophobicContact CD1-CD1 4.01Å; I57-L132 HydrophobicContact CG1-CD1 4.3Å; A62-L132 HydrophobicContact CB-CD1 4.19Å; A62-L132 HydrophobicContact CB-CD2 3.88Å; I65-L132 HydrophobicContact CB-CD2 4.34Å; I65-L132 HydrophobicContact CG2-CD2 4.25Å; I66-L132 HydrophobicContact CD1-CD2 4.16Å; I66-L132 HydrophobicContact CG1-CD2 4.02Å; I128-L132 HydrophobicContact CD1-CD1 4.48Å; I128-L132 HydrophobicContact CD1-CG 4.24Å; I128-L132 HydrophobicContact CG1-CD1 4.03Å; I128-L132 HydrophobicContact CG1-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.49Å; I128-L132 VanDerWaalsContact O-CG 3.23Å; I128-L132 WeakPolarHBondContact O-CG 3.36Å; I128-L132 PolarHBondContact O-N 3.32Å; L132-A136 VanDerWaalsContact O-CB 3.32Å; L132-A136 WeakPolarHBondContact O-CB 3.43Å; L132-A136 PolarHBondContact O-N 2.92Å; L132-Y171 HydrophobicContact CD1-CE2 4.24Å; L132-Y171 WeakPolarHBondContact CD1-OH 3.31Å |
| 133 | Y | 98.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 16.6 Ų | 16.6 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.4 | -47.6 | 179 | -171.1 | -109.4 | 0 | 0 | 0 | 112.7 | P44 L47 K48 F96 L99 M100 F103 E129 C130 V131 W135 A136 L137 | P44-Y133 HydrophobicContact CB-CE2 3.97Å; P44-Y133 WeakPolarHBondContact O-CE2 3.44Å; L47-Y133 HydrophobicContact CB-CD2 4.26Å; K48-Y133 HydrophobicContact CB-CE2 3.73Å; F96-Y133 HydrophobicContact CE2-CD1 4.23Å; F96-Y133 AromaticContact CE2-CG 3.93Å; F96-Y133 HydrophobicContact CE2-CG 3.93Å; F96-Y133 HydrophobicContact CZ-CG 4.47Å; L99-Y133 HydrophobicContact CD2-CD1 4.34Å; M100-Y133 HydrophobicContact CE-CD1 3.65Å; M100-Y133 HydrophobicContact CE-CE1 3.49Å; M100-Y133 VanDerWaalsContact CE-CE1 3.49Å; M100-Y133 HydrophobicContact CE-CG 4.36Å; M100-Y133 HydrophobicContact SD-CE1 4.33Å; F103-Y133 AromaticContact CD2-CE1 3.9Å; F103-Y133 HydrophobicContact CD2-CE1 3.9Å; F103-Y133 HydrophobicContact CE2-CD1 4.03Å; F103-Y133 AromaticContact CE2-CE1 3.52Å; F103-Y133 HydrophobicContact CE2-CE1 3.52Å; F103-Y133 HydrophobicContact CZ-CE1 4.4Å; E129-Y133 WeakPolarHBondContact O-CB 3.43Å; E129-Y133 PolarHBondContact O-N 3.05Å; C130-Y133 PolarHBondContact O-N 2.92Å; V131-Y133 VanDerWaalsContact C-N 3.28Å; V131-Y133 PolarHBondContact O-N 2.79Å; Y133-W135 VanDerWaalsContact C-N 3.32Å; Y133-W135 PolarHBondContact O-N 2.88Å; Y133-A136 PolarHBondContact O-N 3.3Å; Y133-L137 HydrophobicContact CD1-CD1 3.94Å; Y133-L137 HydrophobicContact CE1-CD1 3.59Å; Y133-L137 HydrophobicContact CE1-CG 4.27Å; Y133-L137 WeakPolarHBondContact O-CG 3.25Å; Y133-L137 PolarHBondContact O-N 2.85Å |
| 134 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 177.9 | -69 | 174.1 | 0 | 0 | 0 | 111.6 | L99 F103 F116 Y120 C130 V131 L137 K138 F145 L147 | L99-L134 HydrophobicContact CD1-CD2 4.3Å; L99-L134 HydrophobicContact CD2-CD1 4.41Å; L99-L134 HydrophobicContact CD2-CD2 4.13Å; L99-L134 HydrophobicContact CD2-CG 4.1Å; F103-L134 HydrophobicContact CZ-CD2 4.01Å; F116-L134 HydrophobicContact CE1-CD2 4.18Å; F116-L134 HydrophobicContact CE2-CD2 4.18Å; F116-L134 HydrophobicContact CZ-CD2 3.95Å; Y120-L134 HydrophobicContact CD1-CD1 3.53Å; Y120-L134 HydrophobicContact CE1-CD1 4.01Å; Y120-L134 HydrophobicContact CG-CD1 4.1Å; C130-L134 WeakPolarHBondContact O-CB 3.14Å; C130-L134 VanDerWaalsContact O-CG 3.24Å; C130-L134 WeakPolarHBondContact O-CG 3.44Å; C130-L134 PolarHBondContact O-N 3.38Å; V131-L134 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.27Å; L134-K138 PolarHBondContact O-N 3.32Å; L134-F145 HydrophobicContact CB-CE1 4.47Å; L134-F145 HydrophobicContact CD2-CE1 3.95Å; L134-F145 HydrophobicContact CD2-CZ 3.63Å; L134-L147 HydrophobicContact CB-CD1 4.36Å; L134-L147 HydrophobicContact CB-CD2 4.41Å |
| 135 | W | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 175.2 | -89.3 | -121.1 | 0 | 0 | 0 | 111.9 | I65 L73 Y120 V131 Y133 L137 K138 I139 L147 S182 F183 L186 | I65-W135 HydrophobicContact CG2-CB 3.77Å; L73-W135 HydrophobicContact CD1-CZ2 4.09Å; Y120-W135 AromaticContact CD2-CH2 3.98Å; Y120-W135 HydrophobicContact CD2-CH2 3.98Å; Y120-W135 HydrophobicContact CD2-CZ3 4.02Å; Y120-W135 HydrophobicContact CE2-CH2 4.18Å; Y120-W135 HydrophobicContact CE2-CZ3 4.33Å; V131-W135 HydrophobicContact CB-CE3 4.32Å; V131-W135 HydrophobicContact CB-CZ3 4.33Å; V131-W135 HydrophobicContact CG1-CD2 3.99Å; V131-W135 HydrophobicContact CG1-CE3 3.82Å; V131-W135 HydrophobicContact CG1-CH2 4.36Å; V131-W135 HydrophobicContact CG1-CZ3 4Å; V131-W135 HydrophobicContact CG2-CZ3 4.31Å; V131-W135 VanDerWaalsContact O-CB 3.29Å; V131-W135 WeakPolarHBondContact O-CB 3.28Å; V131-W135 PolarHBondContact O-N 2.99Å; Y133-W135 VanDerWaalsContact C-N 3.32Å; Y133-W135 PolarHBondContact O-N 2.88Å; W135-L137 VanDerWaalsContact C-N 3.31Å; W135-L137 PolarHBondContact O-N 3.46Å; W135-K138 WeakPolarHBondContact O-CB 3.43Å; W135-K138 PolarHBondContact O-N 3.21Å; W135-I139 VanDerWaalsContact O-CG1 3.31Å; W135-I139 WeakPolarHBondContact O-CG1 3.04Å; W135-I139 PolarHBondContact O-N 2.91Å; W135-L147 HydrophobicContact CD2-CD1 4.46Å; W135-L147 HydrophobicContact CE3-CD1 3.99Å; W135-L147 HydrophobicContact CH2-CD1 4.49Å; W135-L147 HydrophobicContact CZ3-CD1 4.03Å; W135-S182 PolarHBondContact NE1-OG 3.36Å; W135-F183 AromaticContact CH2-CD1 3.91Å; W135-F183 HydrophobicContact CH2-CD1 3.91Å; W135-F183 AromaticContact CH2-CE1 3.56Å; W135-F183 HydrophobicContact CH2-CE1 3.56Å; W135-F183 AromaticContact CZ2-CD1 3.86Å; W135-F183 HydrophobicContact CZ2-CD1 3.86Å; W135-F183 AromaticContact CZ2-CE1 3.8Å; W135-F183 HydrophobicContact CZ2-CE1 3.8Å; W135-F183 HydrophobicContact CZ3-CE1 4.49Å; W135-L186 HydrophobicContact CH2-CD1 4.35Å; W135-L186 HydrophobicContact CH2-CD2 4.35Å; W135-L186 HydrophobicContact CZ2-CD2 4.4Å |
| 136 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P42 L47 I65 L132 Y133 I139 C140 | P42-A136 HydrophobicContact CB-CB 4Å; P42-A136 HydrophobicContact CG-CB 3.85Å; L47-A136 HydrophobicContact CD1-CB 3.5Å; L47-A136 VanDerWaalsContact CD1-CB 3.5Å; I65-A136 HydrophobicContact CG2-CB 4.42Å; L132-A136 VanDerWaalsContact O-CB 3.32Å; L132-A136 WeakPolarHBondContact O-CB 3.43Å; L132-A136 PolarHBondContact O-N 2.92Å; Y133-A136 PolarHBondContact O-N 3.3Å; A136-I139 PolarHBondContact O-N 2.89Å; A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.11Å; A136-C140 PolarHBondContact O-SG 2.83Å |
| 137 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 173.6 | -69 | 176.1 | 0 | 0 | 0 | 112.2 | P44 F103 P109 Y133 L134 W135 I139 C140 Y141 F145 | P44-L137 HydrophobicContact CB-CD2 3.81Å; P44-L137 HydrophobicContact CG-CD2 3.89Å; F103-L137 HydrophobicContact CE1-CD1 4.18Å; F103-L137 HydrophobicContact CE2-CD1 3.97Å; F103-L137 HydrophobicContact CZ-CD1 3.57Å; P109-L137 HydrophobicContact CB-CD1 4.43Å; P109-L137 HydrophobicContact CB-CD2 3.97Å; P109-L137 HydrophobicContact CG-CD1 3.97Å; P109-L137 HydrophobicContact CG-CD2 4.06Å; Y133-L137 HydrophobicContact CD1-CD1 3.94Å; Y133-L137 HydrophobicContact CE1-CD1 3.59Å; Y133-L137 HydrophobicContact CE1-CG 4.27Å; Y133-L137 WeakPolarHBondContact O-CG 3.25Å; Y133-L137 PolarHBondContact O-N 2.85Å; L134-L137 PolarHBondContact O-N 3.27Å; W135-L137 VanDerWaalsContact C-N 3.31Å; W135-L137 PolarHBondContact O-N 3.46Å; L137-I139 VanDerWaalsContact C-N 3.34Å; L137-I139 PolarHBondContact O-N 3.38Å; L137-C140 PolarHBondContact O-N 2.81Å; L137-Y141 HydrophobicContact CB-CD2 4.48Å; L137-Y141 HydrophobicContact CD2-CD2 4.07Å; L137-Y141 HydrophobicContact CD2-CE2 3.73Å; L137-Y141 WeakPolarHBondContact O-CD2 3.26Å; L137-Y141 PolarHBondContact O-N 3.2Å; L137-F145 HydrophobicContact CB-CD1 3.96Å; L137-F145 HydrophobicContact CB-CD2 4.23Å; L137-F145 HydrophobicContact CB-CE1 3.75Å; L137-F145 HydrophobicContact CB-CE2 4.05Å; L137-F145 HydrophobicContact CB-CG 4.2Å; L137-F145 HydrophobicContact CB-CZ 3.81Å; L137-F145 HydrophobicContact CD1-CE1 4.32Å; L137-F145 HydrophobicContact CD1-CE2 3.77Å; L137-F145 HydrophobicContact CD1-CZ 3.59Å; L137-F145 HydrophobicContact CG-CZ 4.37Å |
| 138 | K | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.4 | -179.3 | 58.2 | 176.2 | 175.7 | 0 | 112.1 | F72 E76 L134 W135 Y141 P142 F145 L147 | F72-K138 HydrophobicContact CB-CG 4.38Å; E76-K138 VanDerWaalsContact CD-NZ 3.31Å; E76-K138 IonicContact OE1-NZ 3.64Å; E76-K138 PolarHBondContact OE1-NZ 3.12Å; E76-K138 IonicContact OE2-NZ 3.43Å; E76-K138 PolarHBondContact OE2-NZ 3.36Å; L134-K138 PolarHBondContact O-N 3.32Å; W135-K138 WeakPolarHBondContact O-CB 3.43Å; W135-K138 PolarHBondContact O-N 3.21Å; K138-Y141 CarbonylContact O-C 3.56Å; K138-P142 PolarHBondContact NZ-O 2.69Å; K138-P142 VanDerWaalsContact O-CA 3.23Å; K138-P142 WeakPolarHBondContact O-CA 3.3Å; K138-P142 WeakPolarHBondContact O-CD 3.24Å; K138-P142 VanDerWaalsContact O-N 3.15Å; K138-F145 HydrophobicContact CB-CD1 4.42Å; K138-F145 WeakPolarHBondContact CD-O 3.36Å; K138-F145 PolarHBondContact NZ-O 3.46Å; K138-L147 HydrophobicContact CB-CD1 4.36Å |
| 139 | I | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 176.3 | -64.3 | 159.8 | 0 | 0 | 0 | 111.1 | P42 I65 E68 F72 W135 A136 L137 | P42-I139 HydrophobicContact CG-CB 4.12Å; P42-I139 HydrophobicContact CG-CD1 4.19Å; P42-I139 HydrophobicContact CG-CG2 4.07Å; I65-I139 HydrophobicContact CG2-CD1 4.3Å; I65-I139 WeakPolarHBondContact O-CD1 3.18Å; E68-I139 HydrophobicContact CB-CD1 3.6Å; E68-I139 HydrophobicContact CB-CG1 3.99Å; F72-I139 HydrophobicContact CD2-CG1 4.29Å; F72-I139 HydrophobicContact CE2-CB 4.43Å; F72-I139 HydrophobicContact CE2-CG1 4.39Å; F72-I139 HydrophobicContact CE2-CG2 4.25Å; W135-I139 VanDerWaalsContact O-CG1 3.31Å; W135-I139 WeakPolarHBondContact O-CG1 3.04Å; W135-I139 PolarHBondContact O-N 2.91Å; A136-I139 PolarHBondContact O-N 2.89Å; L137-I139 VanDerWaalsContact C-N 3.34Å; L137-I139 PolarHBondContact O-N 3.38Å |
| 140 | C | 98.4 | Very high | 98.6 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 11% | 0.108 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 179.6 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | K41 P42 P44 A136 L137 P142 | K41-C140 PolarHBondContact NZ-O 3.19Å; K41-C140 VanDerWaalsContact NZ-O 3.12Å; P42-C140 PolarHBondContact O-SG 3.41Å; P42-C140 VanDerWaalsContact O-SG 3.34Å; P44-C140 HydrophobicContact CG-CB 4.43Å; A136-C140 WeakPolarHBondContact O-CB 3.48Å; A136-C140 PolarHBondContact O-N 3.11Å; A136-C140 PolarHBondContact O-SG 2.83Å; L137-C140 PolarHBondContact O-N 2.81Å; C140-P142 VanDerWaalsContact C-CD 3.45Å; C140-P142 WeakPolarHBondContact O-CD 3.37Å |
| 141 | Y | 98.2 | Very high | 98.5 | Very high | 69 Ų | 69 | 15.7 Ų | 15.7 | 27% | 0.271 | 8% | 0.083 | S | C | . | . | trans | -128.7 | 54.3 | -167.8 | -49.4 | -64.7 | 0 | 0 | 0 | 113.2 | P109 A110 L137 K138 N143 S144 F145 | P109-Y141 HydrophobicContact CB-CD2 4.11Å; P109-Y141 HydrophobicContact CB-CE2 4.05Å; A110-Y141 HydrophobicContact CB-CE1 4.08Å; A110-Y141 WeakPolarHBondContact CB-OH 3.45Å; L137-Y141 HydrophobicContact CB-CD2 4.48Å; L137-Y141 HydrophobicContact CD2-CD2 4.07Å; L137-Y141 HydrophobicContact CD2-CE2 3.73Å; L137-Y141 WeakPolarHBondContact O-CD2 3.26Å; L137-Y141 PolarHBondContact O-N 3.2Å; K138-Y141 CarbonylContact O-C 3.56Å; Y141-N143 PolarHBondContact O-N 3.27Å; Y141-S144 PolarHBondContact O-N 3.37Å; Y141-F145 WeakPolarHBondContact O-CB 3.43Å; Y141-F145 PolarHBondContact O-N 2.98Å | ||
| 142 | P | 97.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 15.9 Ų | 15.9 | 16% | 0.156 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.2 | -168.1 | 24 | -35.3 | 0 | 0 | 0 | 114.6 | F72 K138 C140 | F72-P142 HydrophobicContact CD1-CB 3.63Å; F72-P142 HydrophobicContact CD1-CG 4.37Å; F72-P142 HydrophobicContact CE1-CB 3.65Å; F72-P142 HydrophobicContact CE1-CG 3.87Å; F72-P142 HydrophobicContact CG-CB 4.28Å; F72-P142 HydrophobicContact CZ-CB 4.32Å; F72-P142 HydrophobicContact CZ-CG 4.28Å; K138-P142 PolarHBondContact NZ-O 2.69Å; K138-P142 VanDerWaalsContact O-CA 3.23Å; K138-P142 WeakPolarHBondContact O-CA 3.3Å; K138-P142 WeakPolarHBondContact O-CD 3.24Å; K138-P142 VanDerWaalsContact O-N 3.15Å; C140-P142 VanDerWaalsContact C-CD 3.45Å; C140-P142 WeakPolarHBondContact O-CD 3.37Å |
| 143 | N | 97.6 | Very high | 98.5 | Very high | 144 Ų | 144 | 15.9 Ų | 15.9 | 77% | 0.77 | 8% | 0.083 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.4 | -178.1 | -59.4 | -28.4 | 0 | 0 | 0 | 113.9 | Y141 F146 | Y141-N143 PolarHBondContact O-N 3.27Å; N143-F146 WeakPolarHBondContact O-CZ 3.25Å |
| 144 | S | 98.4 | Very high | 98.4 | Very high | 33 Ų | 33 | 15.8 Ų | 15.8 | 23% | 0.231 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | -0.3 | 179.9 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | K113 Y114 Y141 | K113-S144 CarbonylContact C-O 3.45Å; K113-S144 WeakPolarHBondContact CA-O 3.41Å; K113-S144 WeakPolarHBondContact CG-O 3.32Å; Y114-S144 PolarHBondContact N-O 2.83Å; Y141-S144 PolarHBondContact O-N 3.37Å |
| 145 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 112.6 | 179.4 | -158.8 | -91.9 | 0 | 0 | 0 | 109.2 | F103 P109 Y114 F116 L134 L137 K138 Y141 L147 | F103-F145 AromaticContact CE1-CE2 3.93Å; F103-F145 HydrophobicContact CE1-CE2 3.93Å; F103-F145 HydrophobicContact CE1-CZ 4.27Å; F103-F145 HydrophobicContact CZ-CE2 4.13Å; F103-F145 HydrophobicContact CZ-CZ 4.02Å; P109-F145 HydrophobicContact CB-CD2 4.2Å; P109-F145 HydrophobicContact CB-CE2 4.22Å; P109-F145 HydrophobicContact CG-CE2 4.35Å; Y114-F145 HydrophobicContact CD2-CD2 4.18Å; Y114-F145 HydrophobicContact CD2-CE2 4.07Å; Y114-F145 HydrophobicContact CG-CD2 4.25Å; Y114-F145 HydrophobicContact CG-CE2 4.02Å; F116-F145 HydrophobicContact CD2-CE1 4.45Å; F116-F145 HydrophobicContact CD2-CZ 4.08Å; F116-F145 HydrophobicContact CE2-CE1 4.27Å; F116-F145 AromaticContact CE2-CE2 3.84Å; F116-F145 HydrophobicContact CE2-CE2 3.84Å; F116-F145 AromaticContact CE2-CZ 3.48Å; F116-F145 HydrophobicContact CE2-CZ 3.48Å; F116-F145 VanDerWaalsContact CE2-CZ 3.48Å; F116-F145 HydrophobicContact CZ-CZ 4.25Å; L134-F145 HydrophobicContact CB-CE1 4.47Å; L134-F145 HydrophobicContact CD2-CE1 3.95Å; L134-F145 HydrophobicContact CD2-CZ 3.63Å; L137-F145 HydrophobicContact CB-CD1 3.96Å; L137-F145 HydrophobicContact CB-CD2 4.23Å; L137-F145 HydrophobicContact CB-CE1 3.75Å; L137-F145 HydrophobicContact CB-CE2 4.05Å; L137-F145 HydrophobicContact CB-CG 4.2Å; L137-F145 HydrophobicContact CB-CZ 3.81Å; L137-F145 HydrophobicContact CD1-CE1 4.32Å; L137-F145 HydrophobicContact CD1-CE2 3.77Å; L137-F145 HydrophobicContact CD1-CZ 3.59Å; L137-F145 HydrophobicContact CG-CZ 4.37Å; K138-F145 HydrophobicContact CB-CD1 4.42Å; K138-F145 WeakPolarHBondContact CD-O 3.36Å; K138-F145 PolarHBondContact NZ-O 3.46Å; Y141-F145 WeakPolarHBondContact O-CB 3.43Å; Y141-F145 PolarHBondContact O-N 2.98Å; F145-L147 HydrophobicContact CD1-CD2 4.34Å; F145-L147 HydrophobicContact CD1-CG 4.44Å; F145-L147 HydrophobicContact CE1-CD2 3.8Å; F145-L147 HydrophobicContact CE1-CG 4.31Å |
| 146 | F | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 20.8 Ų | 20.8 | 9% | 0.092 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.3 | -171.2 | -56 | -75.9 | 0 | 0 | 0 | 110.6 | L80 I82 K113 Y114 L115 F116 N143 | L80-F146 HydrophobicContact CD1-CB 3.84Å; L80-F146 HydrophobicContact CD1-CD1 3.88Å; L80-F146 HydrophobicContact CD1-CG 4.16Å; I82-F146 HydrophobicContact CD1-CB 3.82Å; I82-F146 HydrophobicContact CD1-CD1 4.24Å; I82-F146 HydrophobicContact CD1-CD2 3.55Å; I82-F146 HydrophobicContact CD1-CE2 4.15Å; I82-F146 HydrophobicContact CD1-CG 3.6Å; I82-F146 HydrophobicContact CG1-CD2 4.01Å; I82-F146 HydrophobicContact CG1-CE2 4.08Å; I82-F146 HydrophobicContact CG1-CG 4.23Å; I82-F146 HydrophobicContact CG1-CZ 4.36Å; I82-F146 HydrophobicContact CG2-CD2 4.22Å; I82-F146 HydrophobicContact CG2-CE2 4.05Å; K113-F146 HydrophobicContact CD-CE2 4.13Å; K113-F146 HydrophobicContact CG-CD2 4.41Å; K113-F146 HydrophobicContact CG-CE2 3.99Å; Y114-F146 WeakPolarHBondContact O-CD2 3.33Å; Y114-F146 PolarHBondContact O-N 2.83Å; L115-F146 WeakPolarHBondContact CA-O 3.2Å; L115-F146 HydrophobicContact CD1-CB 3.9Å; F116-F146 PolarHBondContact N-O 3.23Å; N143-F146 WeakPolarHBondContact O-CZ 3.25Å |
| 147 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124 | -176.9 | -61.8 | 177.4 | 0 | 0 | 0 | 107.6 | L73 F116 Y120 L134 W135 K138 F145 L186 P187 | L73-L147 HydrophobicContact CD2-CB 4.49Å; F116-L147 HydrophobicContact CB-CD2 3.92Å; F116-L147 HydrophobicContact CD2-CD2 3.97Å; F116-L147 HydrophobicContact CG-CD2 4.09Å; Y120-L147 HydrophobicContact CE1-CD2 4.13Å; Y120-L147 VanDerWaalsContact OH-CA 3.31Å; Y120-L147 WeakPolarHBondContact OH-CA 3.42Å; Y120-L147 WeakPolarHBondContact OH-CB 3.48Å; L134-L147 HydrophobicContact CB-CD1 4.36Å; L134-L147 HydrophobicContact CB-CD2 4.41Å; W135-L147 HydrophobicContact CD2-CD1 4.46Å; W135-L147 HydrophobicContact CE3-CD1 3.99Å; W135-L147 HydrophobicContact CH2-CD1 4.49Å; W135-L147 HydrophobicContact CZ3-CD1 4.03Å; K138-L147 HydrophobicContact CB-CD1 4.36Å; F145-L147 HydrophobicContact CD1-CD2 4.34Å; F145-L147 HydrophobicContact CD1-CG 4.44Å; F145-L147 HydrophobicContact CE1-CD2 3.8Å; F145-L147 HydrophobicContact CE1-CG 4.31Å; L147-L186 HydrophobicContact CB-CD2 3.7Å; L147-P187 WeakPolarHBondContact O-CD 3.45Å |
| 148 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -97.8 | 165.3 | 170.2 | -57.1 | -172.1 | 0 | 0 | 0 | 110.7 | L80 L115 F116 L117 Y120 P187 A190 | L80-L148 HydrophobicContact CD1-CD2 3.82Å; L80-L148 HydrophobicContact CG-CD2 4.39Å; L115-L148 HydrophobicContact CD1-CD1 4.11Å; L115-L148 HydrophobicContact CD1-CD2 4.14Å; L115-L148 HydrophobicContact CD1-CG 3.8Å; F116-L148 WeakPolarHBondContact O-CB 3.23Å; F116-L148 PolarHBondContact O-N 3.5Å; L117-L148 HydrophobicContact CD2-CD1 3.79Å; Y120-L148 WeakPolarHBondContact CE2-O 3.21Å; Y120-L148 PolarHBondContact OH-N 3.26Å; Y120-L148 PolarHBondContact OH-O 2.84Å; L148-P187 CarbonylContact C-O 3.6Å; L148-P187 VanDerWaalsContact CA-O 3.31Å; L148-P187 WeakPolarHBondContact CA-O 3.4Å; L148-P187 HydrophobicContact CD2-CB 3.88Å; L148-A190 HydrophobicContact CD1-CB 4.39Å; L148-A190 HydrophobicContact CD2-CB 4.36Å | ||
| 149 | R | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -83.8 | 129.7 | 173.7 | -157.7 | 174.6 | -174.1 | 166.5 | 7.8 | 109.8 | E153 F183 D184 L186 P187 L188 H200 R218 R220 M228 L232 | R149-E153 HydrophobicContact CG-CB 3.81Å; R149-E153 PolarHBondContact NE-O 2.92Å; R149-E153 PolarHBondContact NH2-O 2.81Å; R149-F183 WeakPolarHBondContact CD-O 3.37Å; R149-F183 VanDerWaalsContact CZ-O 3.31Å; R149-F183 PolarHBondContact NE-O 2.92Å; R149-D184 IonicContact CZ-OD1 3.76Å; R149-D184 IonicContact NH1-OD1 3.54Å; R149-D184 IonicContact NH2-OD1 3.94Å; R149-D184 PolarHBondContact NH2-OD1 2.87Å; R149-L186 HydrophobicContact CB-CB 3.66Å; R149-L186 HydrophobicContact CB-CD1 4.32Å; R149-L186 HydrophobicContact CG-CB 4.03Å; R149-L186 HydrophobicContact CG-CD1 4.15Å; R149-P187 PolarHBondContact N-O 2.9Å; R149-L188 HydrophobicContact CB-CD2 4.05Å; R149-H200 WeakPolarHBondContact O-CB 3.45Å; R149-R218 PolarHBondContact NH1-O 3.31Å; R149-R220 PolarHBondContact NH1-O 3.08Å; R149-M228 VanDerWaalsContact NH1-CE 3.25Å; R149-L232 HydrophobicContact CB-CD2 4.17Å; R149-L232 WeakPolarHBondContact O-CD2 2.88Å | ||
| 150 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -94.2 | 179.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D119 H152 E153 H200 | D119-G150 WeakPolarHBondContact OD1-CA 3.29Å; G150-H152 VanDerWaalsContact C-N 3.29Å; G150-E153 WeakPolarHBondContact CA-OE2 3.43Å; G150-E153 PolarHBondContact N-OE2 2.89Å; G150-E153 PolarHBondContact O-N 2.89Å; G150-H200 WeakPolarHBondContact CA-CD2 3.47Å; G150-H200 VanDerWaalsContact CA-CG 3.43Å | ||
| 151 | N | 97.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -71.3 | -27.8 | 177.8 | 59.5 | -52.5 | 0 | 0 | 0 | 111.9 | D119 E153 C154 L157 H200 L232 W233 H296 | D119-N151 PolarHBondContact OD1-N 2.74Å; D119-N151 PolarHBondContact OD1-OD1 3.21Å; D119-N151 VanDerWaalsContact OD1-OD1 3.11Å; D119-N151 PolarHBondContact OD2-OD1 2.74Å; N151-E153 VanDerWaalsContact C-N 3.3Å; N151-E153 PolarHBondContact O-N 2.8Å; N151-C154 PolarHBondContact O-SG 2.92Å; N151-L157 HydrophobicContact CB-CD2 4.48Å; N151-H200 PolarHBondContact N-CD2 3.34Å; N151-H200 VanDerWaalsContact N-CD2 3.3Å; N151-H200 PolarHBondContact OD1-CD2 3.33Å; N151-H200 VanDerWaalsContact OD1-CD2 3.27Å; N151-H200 PolarHBondContact OD1-NE2 3.06Å; N151-L232 HydrophobicContact CB-CB 4.23Å; N151-W233 HydrophobicContact CB-CD2 3.87Å; N151-W233 VanDerWaalsContact CB-CE2 3.47Å; N151-W233 HydrophobicContact CB-CE3 4.45Å; N151-W233 HydrophobicContact CB-CG 4.21Å; N151-W233 HydrophobicContact CB-CH2 4.37Å; N151-W233 HydrophobicContact CB-CZ2 3.75Å; N151-W233 VanDerWaalsContact ND2-CH2 3.28Å; N151-W233 WeakPolarHBondContact ND2-CH2 3.36Å; N151-W233 WeakPolarHBondContact ND2-CZ3 3.27Å; N151-H296 PolarHBondContact ND2-CE1 3.47Å; N151-H296 PolarHBondContact OD1-ND1 3.28Å |
| 152 | H | 97.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -73.5 | -17.1 | 177.2 | -80.7 | -95.2 | 0 | 0 | 0 | 114 | H93 D119 V121 D122 G150 C154 L157 T158 F161 | H93-H152 AromaticContact CE1-CD2 3.52Å; H93-H152 AromaticContact CE1-CG 3.95Å; H93-H152 AromaticContact CE1-NE2 3.65Å; D119-H152 WeakPolarHBondContact OD1-CB 2.97Å; D119-H152 IonicContact OD1-CD2 3.32Å; D119-H152 IonicContact OD1-CG 3.12Å; D119-H152 PolarHBondContact OD1-N 3Å; D119-H152 IonicContact OD2-CD2 3.2Å; D119-H152 PolarHBondContact OD2-CD2 3.18Å; V121-H152 HydrophobicContact CG2-CB 4.16Å; D122-H152 VanDerWaalsContact CB-ND1 3.33Å; D122-H152 WeakPolarHBondContact CB-ND1 3.28Å; D122-H152 IonicContact OD2-CE1 2.79Å; D122-H152 IonicContact OD2-CG 3.59Å; D122-H152 IonicContact OD2-ND1 2.81Å; D122-H152 PolarHBondContact OD2-ND1 3.13Å; G150-H152 VanDerWaalsContact C-N 3.29Å; H152-C154 PolarHBondContact O-N 2.84Å; H152-L157 HydrophobicContact CB-CD2 4.47Å; H152-T158 WeakPolarHBondContact O-CG2 3.48Å; H152-F161 AromaticContact CE1-CD2 3.61Å; H152-F161 AromaticContact CE1-CE2 3.51Å; H152-F161 AromaticContact ND1-CD2 3.93Å |
| 153 | E | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -78.3 | 54.6 | 175.5 | -78.3 | 75.1 | -128.3 | 0 | 0 | 112.4 | D119 Y120 R149 G150 N151 F183 L186 | D119-E153 WeakPolarHBondContact CA-OE1 3.44Å; D119-E153 PolarHBondContact N-OE1 3.3Å; D119-E153 PolarHBondContact N-OE2 2.92Å; Y120-E153 HydrophobicContact CD2-CG 3.83Å; Y120-E153 WeakPolarHBondContact CD2-OE1 3.09Å; Y120-E153 HydrophobicContact CE2-CG 4.29Å; Y120-E153 PolarHBondContact N-OE1 2.81Å; R149-E153 HydrophobicContact CG-CB 3.81Å; R149-E153 PolarHBondContact NE-O 2.92Å; R149-E153 PolarHBondContact NH2-O 2.81Å; G150-E153 WeakPolarHBondContact CA-OE2 3.43Å; G150-E153 PolarHBondContact N-OE2 2.89Å; G150-E153 PolarHBondContact O-N 2.89Å; N151-E153 VanDerWaalsContact C-N 3.3Å; N151-E153 PolarHBondContact O-N 2.8Å; E153-F183 HydrophobicContact CB-CB 3.93Å; E153-F183 HydrophobicContact CB-CD1 4.34Å; E153-F183 HydrophobicContact CB-CD2 3.73Å; E153-F183 HydrophobicContact CB-CE2 4.3Å; E153-F183 HydrophobicContact CB-CG 3.75Å; E153-F183 HydrophobicContact CG-CB 4.49Å; E153-F183 HydrophobicContact CG-CD1 3.96Å; E153-F183 HydrophobicContact CG-CD2 3.86Å; E153-F183 HydrophobicContact CG-CE1 4.12Å; E153-F183 HydrophobicContact CG-CE2 3.99Å; E153-F183 HydrophobicContact CG-CG 3.84Å; E153-F183 HydrophobicContact CG-CZ 4.13Å; E153-F183 WeakPolarHBondContact O-CB 3.18Å; E153-L186 HydrophobicContact CB-CD1 3.99Å; E153-L186 HydrophobicContact CG-CD1 3.72Å |
| 154 | C | 98 | Very high | 96.1 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -145.9 | 158.3 | 178.7 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | N151 H152 H156 L157 T158 E221 P222 | N151-C154 PolarHBondContact O-SG 2.92Å; H152-C154 PolarHBondContact O-N 2.84Å; C154-H156 VanDerWaalsContact C-N 3.31Å; C154-H156 PolarHBondContact O-N 2.75Å; C154-L157 PolarHBondContact SG-N 2.8Å; C154-L157 VanDerWaalsContact SG-N 3.4Å; C154-T158 WeakPolarHBondContact O-CB 3.37Å; C154-T158 VanDerWaalsContact O-CG2 3.27Å; C154-T158 WeakPolarHBondContact O-CG2 3.09Å; C154-T158 PolarHBondContact O-N 3.33Å; C154-T158 VanDerWaalsContact O-N 3.16Å; C154-T158 PolarHBondContact O-OG1 3.02Å; C154-E221 VanDerWaalsContact CB-OE1 3.27Å; C154-E221 WeakPolarHBondContact CB-OE1 3.22Å; C154-P222 HydrophobicContact CB-CG 3.95Å |
| 155 | R | 97.9 | Very high | 96 | Very high | 65 Ų | 65 | 17.3 Ų | 17.3 | 25% | 0.245 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 178.7 | -66.2 | 167.6 | -174.1 | 78.4 | -0.3 | 110.6 | L157 T158 E159 M180 D184 E221 | R155-L157 PolarHBondContact O-N 3.08Å; R155-T158 PolarHBondContact O-N 3.33Å; R155-T158 PolarHBondContact O-OG1 3.03Å; R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.81Å; R155-M180 HydrophobicContact CB-SD 4.23Å; R155-M180 HydrophobicContact CG-CB 4.04Å; R155-M180 HydrophobicContact CG-CG 3.7Å; R155-M180 HydrophobicContact CG-SD 3.55Å; R155-M180 VanDerWaalsContact CG-SD 3.55Å; R155-D184 IonicContact CZ-OD2 3.5Å; R155-D184 IonicContact NH1-OD1 2.87Å; R155-D184 PolarHBondContact NH1-OD1 3.46Å; R155-D184 IonicContact NH1-OD2 3.84Å; R155-D184 PolarHBondContact NH1-OD2 2.87Å; R155-D184 IonicContact NH2-OD2 3.92Å; R155-D184 PolarHBondContact NH2-OD2 3.3Å; R155-E221 WeakPolarHBondContact CA-OE1 3.49Å; R155-E221 WeakPolarHBondContact CB-OE2 3.19Å; R155-E221 WeakPolarHBondContact CG-OE2 3.36Å; R155-E221 IonicContact CZ-OE2 3.98Å; R155-E221 PolarHBondContact N-OE1 3.16Å; R155-E221 PolarHBondContact N-OE2 3.4Å; R155-E221 VanDerWaalsContact N-OE2 3.11Å; R155-E221 IonicContact NH1-OE2 3.89Å; R155-E221 PolarHBondContact NH1-OE2 3.11Å |
| 156 | H | 92.5 | Very high | 96 | Very high | 41 Ų | 41 | 17.3 Ų | 17.3 | 19% | 0.19 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.5 | -48.7 | -175.9 | -171.8 | 58.2 | 0 | 0 | 0 | 112.9 | C154 Y160 E221 P490 P491 | C154-H156 VanDerWaalsContact C-N 3.31Å; C154-H156 PolarHBondContact O-N 2.75Å; H156-Y160 PolarHBondContact O-N 2.89Å; H156-E221 PolarHBondContact N-OE1 2.76Å; H156-P490 PolarHBondContact CE1-O 3.09Å; H156-P490 PolarHBondContact NE2-O 2.68Å; H156-P491 PolarHBondContact CE1-O 3.42Å; H156-P491 VanDerWaalsContact CE1-O 3.26Å |
| 157 | L | 91.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -74.7 | -46.1 | 179.5 | -91.8 | 62.8 | 0 | 0 | 0 | 111.4 | N151 H152 C154 R155 E159 Y160 F161 W233 M489 P490 | N151-L157 HydrophobicContact CB-CD2 4.48Å; H152-L157 HydrophobicContact CB-CD2 4.47Å; C154-L157 PolarHBondContact SG-N 2.8Å; C154-L157 VanDerWaalsContact SG-N 3.4Å; R155-L157 PolarHBondContact O-N 3.08Å; L157-E159 PolarHBondContact O-N 2.78Å; L157-Y160 CarbonylContact O-C 3.56Å; L157-Y160 WeakPolarHBondContact O-CA 3.36Å; L157-Y160 PolarHBondContact O-N 3.42Å; L157-F161 HydrophobicContact CB-CD2 4.04Å; L157-F161 HydrophobicContact CB-CE2 4.31Å; L157-F161 HydrophobicContact CD2-CE2 4.24Å; L157-F161 HydrophobicContact CG-CD2 4.16Å; L157-F161 HydrophobicContact CG-CE2 3.91Å; L157-F161 VanDerWaalsContact O-CD2 3.27Å; L157-F161 WeakPolarHBondContact O-CD2 3.49Å; L157-F161 PolarHBondContact O-N 3.16Å; L157-W233 HydrophobicContact CD1-CH2 4.1Å; L157-W233 HydrophobicContact CD1-CZ2 3.66Å; L157-W233 HydrophobicContact CD2-CH2 3.78Å; L157-W233 HydrophobicContact CD2-CZ2 3.71Å; L157-W233 HydrophobicContact CG-CH2 4.49Å; L157-W233 HydrophobicContact CG-CZ2 4.33Å; L157-M489 HydrophobicContact CD1-CG 4.19Å; L157-P490 HydrophobicContact CD1-CG 4.13Å; L157-P490 HydrophobicContact CG-CG 4.33Å |
| 158 | T | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.3 | -20.7 | -176.1 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | V121 H152 C154 R155 F163 K164 Y176 M180 | V121-T158 HydrophobicContact CG2-CG2 3.79Å; H152-T158 WeakPolarHBondContact O-CG2 3.48Å; C154-T158 WeakPolarHBondContact O-CB 3.37Å; C154-T158 VanDerWaalsContact O-CG2 3.27Å; C154-T158 WeakPolarHBondContact O-CG2 3.09Å; C154-T158 PolarHBondContact O-N 3.33Å; C154-T158 VanDerWaalsContact O-N 3.16Å; C154-T158 PolarHBondContact O-OG1 3.02Å; R155-T158 PolarHBondContact O-N 3.33Å; R155-T158 PolarHBondContact O-OG1 3.03Å; T158-F163 HydrophobicContact CG2-CB 3.96Å; T158-F163 HydrophobicContact CG2-CD1 3.66Å; T158-F163 HydrophobicContact CG2-CG 4.25Å; T158-K164 WeakPolarHBondContact O-CB 3.15Å; T158-K164 PolarHBondContact O-N 2.91Å; T158-K164 VanDerWaalsContact O-N 3.08Å; T158-Y176 WeakPolarHBondContact OG1-CE2 3.16Å; T158-Y176 PolarHBondContact OG1-OH 2.86Å; T158-M180 HydrophobicContact CG2-CE 4.14Å; T158-M180 PolarHBondContact OG1-SD 2.88Å |
| 159 | E | 93 | Very high | 95.8 | Very high | 75 Ų | 75 | 24.1 Ų | 24.1 | 35% | 0.35 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -74.2 | -36 | 167.7 | -79.3 | -172.6 | 168 | 0 | 0 | 113 | R155 L157 K164 | R155-E159 WeakPolarHBondContact O-CB 3.41Å; R155-E159 WeakPolarHBondContact O-CG 3.45Å; R155-E159 PolarHBondContact O-N 2.81Å; L157-E159 PolarHBondContact O-N 2.78Å; E159-K164 HydrophobicContact CB-CD 4.46Å; E159-K164 HydrophobicContact CG-CD 3.59Å; E159-K164 IonicContact OE1-NZ 3.17Å; E159-K164 PolarHBondContact OE1-NZ 2.83Å |
| 160 | Y | 87.2 | Confident | 95.7 | Very high | 44 Ų | 44 | 24.2 Ų | 24.2 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -82.4 | -36.8 | -179.4 | -178.8 | -97.5 | 0 | 0 | 0 | 112.7 | H156 L157 T445 L447 P490 | H156-Y160 PolarHBondContact O-N 2.89Å; L157-Y160 CarbonylContact O-C 3.56Å; L157-Y160 WeakPolarHBondContact O-CA 3.36Å; L157-Y160 PolarHBondContact O-N 3.42Å; Y160-T445 HydrophobicContact CD1-CG2 3.99Å; Y160-T445 HydrophobicContact CE1-CG2 3.42Å; Y160-T445 VanDerWaalsContact CE1-CG2 3.42Å; Y160-L447 HydrophobicContact CD2-CD1 3.93Å; Y160-L447 HydrophobicContact CE2-CD1 4.2Å; Y160-L447 HydrophobicContact CG-CD1 4.31Å; Y160-L447 WeakPolarHBondContact O-CD1 3.35Å; Y160-L447 WeakPolarHBondContact O-CG 3.36Å; Y160-P490 HydrophobicContact CD1-CB 3.81Å; Y160-P490 HydrophobicContact CD1-CG 3.38Å; Y160-P490 HydrophobicContact CD2-CB 3.66Å; Y160-P490 HydrophobicContact CD2-CG 4.16Å; Y160-P490 HydrophobicContact CE1-CB 4.19Å; Y160-P490 HydrophobicContact CE1-CG 3.95Å; Y160-P490 HydrophobicContact CE2-CB 4.07Å; Y160-P490 HydrophobicContact CG-CB 3.51Å; Y160-P490 HydrophobicContact CG-CG 3.48Å; Y160-P490 VanDerWaalsContact CG-CG 3.48Å |
| 161 | F | 90.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -89.8 | -148.9 | 174.2 | -67.7 | -74.6 | 0 | 0 | 0 | 109.8 | D122 H152 L157 T445 N486 P490 | D122-F161 HydrophobicContact CB-CB 3.71Å; D122-F161 HydrophobicContact CB-CD2 4.48Å; D122-F161 HydrophobicContact CB-CG 4.15Å; D122-F161 VanDerWaalsContact OD1-CB 3.25Å; D122-F161 WeakPolarHBondContact OD1-CB 3.39Å; H152-F161 AromaticContact CE1-CD2 3.61Å; H152-F161 AromaticContact CE1-CE2 3.51Å; H152-F161 AromaticContact ND1-CD2 3.93Å; L157-F161 HydrophobicContact CB-CD2 4.04Å; L157-F161 HydrophobicContact CB-CE2 4.31Å; L157-F161 HydrophobicContact CD2-CE2 4.24Å; L157-F161 HydrophobicContact CG-CD2 4.16Å; L157-F161 HydrophobicContact CG-CE2 3.91Å; L157-F161 VanDerWaalsContact O-CD2 3.27Å; L157-F161 WeakPolarHBondContact O-CD2 3.49Å; L157-F161 PolarHBondContact O-N 3.16Å; F161-T445 HydrophobicContact CD1-CG2 3.37Å; F161-T445 HydrophobicContact CE1-CG2 3.17Å; F161-T445 HydrophobicContact CG-CG2 4.44Å; F161-T445 HydrophobicContact CZ-CG2 4.13Å; F161-N486 HydrophobicContact CE1-CB 4.11Å; F161-N486 HydrophobicContact CZ-CB 4.36Å; F161-N486 WeakPolarHBondContact CZ-O 3.19Å; F161-P490 HydrophobicContact CE2-CG 4.36Å |
| 162 | T | 92.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -106 | -14.4 | -160.9 | 56 | 0 | 0 | 0 | 0 | 112.8 | D122 Y125 K164 Q165 E166 T445 | D122-T162 PolarHBondContact OD1-N 3.08Å; Y125-T162 HydrophobicContact CE1-CG2 4.1Å; T162-K164 PolarHBondContact O-N 3.01Å; T162-Q165 CarbonylContact O-C 3.6Å; T162-Q165 PolarHBondContact O-N 2.83Å; T162-Q165 VanDerWaalsContact O-N 3.12Å; T162-E166 WeakPolarHBondContact O-CB 3.47Å; T162-E166 PolarHBondContact O-N 2.74Å; T162-T445 WeakPolarHBondContact CG2-O 3.44Å |
| 163 | F | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | -172.7 | -177.2 | -124.4 | 0 | 0 | 0 | 113.6 | V121 D122 S127 I128 V131 T158 Q165 E166 C167 Y176 C179 M180 F183 | V121-F163 HydrophobicContact CB-CB 4.19Å; V121-F163 HydrophobicContact CB-CD1 4.17Å; V121-F163 HydrophobicContact CB-CD2 4.03Å; V121-F163 HydrophobicContact CB-CE2 4.42Å; V121-F163 HydrophobicContact CB-CG 3.88Å; V121-F163 HydrophobicContact CG1-CD1 4.15Å; V121-F163 HydrophobicContact CG1-CD2 3.96Å; V121-F163 HydrophobicContact CG1-CE1 4.04Å; V121-F163 HydrophobicContact CG1-CE2 3.83Å; V121-F163 HydrophobicContact CG1-CG 4.1Å; V121-F163 HydrophobicContact CG1-CZ 3.87Å; V121-F163 HydrophobicContact CG2-CB 4.47Å; V121-F163 HydrophobicContact CG2-CD1 4.24Å; V121-F163 HydrophobicContact CG2-CG 4.31Å; D122-F163 WeakPolarHBondContact OD1-CB 3.3Å; D122-F163 PolarHBondContact OD1-N 3.13Å; S127-F163 VanDerWaalsContact CB-CD2 3.44Å; I128-F163 HydrophobicContact CB-CE2 4.17Å; I128-F163 HydrophobicContact CD1-CE2 4.22Å; I128-F163 HydrophobicContact CD1-CZ 4.21Å; V131-F163 HydrophobicContact CG2-CE2 4.49Å; V131-F163 HydrophobicContact CG2-CZ 4.18Å; T158-F163 HydrophobicContact CG2-CB 3.96Å; T158-F163 HydrophobicContact CG2-CD1 3.66Å; T158-F163 HydrophobicContact CG2-CG 4.25Å; F163-Q165 VanDerWaalsContact C-N 3.29Å; F163-Q165 PolarHBondContact O-N 3.48Å; F163-E166 WeakPolarHBondContact O-CB 3.24Å; F163-E166 PolarHBondContact O-N 3.34Å; F163-C167 PolarHBondContact O-N 3.26Å; F163-C167 PolarHBondContact O-SG 3.48Å; F163-Y176 HydrophobicContact CD1-CD2 4.19Å; F163-Y176 HydrophobicContact CD1-CE2 4.19Å; F163-Y176 HydrophobicContact CE1-CD2 4.35Å; F163-C179 HydrophobicContact CE1-CB 3.95Å; F163-C179 HydrophobicContact CZ-CB 4.12Å; F163-M180 HydrophobicContact CD1-CE 4.08Å; F163-M180 HydrophobicContact CE1-CE 3.89Å; F163-F183 HydrophobicContact CD1-CE2 4.33Å; F163-F183 AromaticContact CE1-CE2 3.82Å; F163-F183 HydrophobicContact CE1-CE2 3.82Å; F163-F183 AromaticContact CE1-CZ 3.88Å; F163-F183 HydrophobicContact CE1-CZ 3.88Å; F163-F183 HydrophobicContact CZ-CZ 4.25Å |
| 164 | K | 98 | Very high | 95.8 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.5 | -174.1 | 169 | -169.3 | 173.8 | 0 | 112 | T158 E159 T162 K168 Y176 | T158-K164 WeakPolarHBondContact O-CB 3.15Å; T158-K164 PolarHBondContact O-N 2.91Å; T158-K164 VanDerWaalsContact O-N 3.08Å; E159-K164 HydrophobicContact CB-CD 4.46Å; E159-K164 HydrophobicContact CG-CD 3.59Å; E159-K164 IonicContact OE1-NZ 3.17Å; E159-K164 PolarHBondContact OE1-NZ 2.83Å; T162-K164 PolarHBondContact O-N 3.01Å; K164-K168 WeakPolarHBondContact O-CG 3.27Å; K164-K168 PolarHBondContact O-N 2.98Å; K164-K168 VanDerWaalsContact O-N 3.16Å; K164-Y176 HydrophobicContact CB-CD2 3.89Å; K164-Y176 HydrophobicContact CB-CE1 4.46Å; K164-Y176 HydrophobicContact CB-CE2 3.59Å; K164-Y176 HydrophobicContact CB-CG 4.44Å; K164-Y176 HydrophobicContact CD-CD1 4.19Å; K164-Y176 HydrophobicContact CD-CE1 3.7Å; K164-Y176 HydrophobicContact CD-CE2 4.3Å; K164-Y176 HydrophobicContact CG-CD1 4.01Å; K164-Y176 HydrophobicContact CG-CD2 4.01Å; K164-Y176 HydrophobicContact CG-CE1 3.93Å; K164-Y176 HydrophobicContact CG-CE2 3.93Å; K164-Y176 HydrophobicContact CG-CG 4.05Å |
| 165 | Q | 95.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.4 | -40.1 | 176.1 | -176.6 | 63.6 | 9.9 | 0 | 0 | 111.4 | T162 F163 C167 K168 I169 N360 F361 | T162-Q165 CarbonylContact O-C 3.6Å; T162-Q165 PolarHBondContact O-N 2.83Å; T162-Q165 VanDerWaalsContact O-N 3.12Å; F163-Q165 VanDerWaalsContact C-N 3.29Å; F163-Q165 PolarHBondContact O-N 3.48Å; Q165-C167 PolarHBondContact O-N 3.11Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 3.23Å; Q165-I169 HydrophobicContact CG-CG1 4.31Å; Q165-I169 WeakPolarHBondContact O-CG1 3.38Å; Q165-I169 PolarHBondContact O-N 2.87Å; Q165-N360 WeakPolarHBondContact CG-OD1 3.36Å; Q165-F361 HydrophobicContact CG-CD2 4.26Å |
| 166 | E | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.1 | -51.4 | 174.6 | -175.3 | 173 | 164.7 | 0 | 0 | 111 | S127 I128 T162 F163 K168 I169 K170 F361 | S127-E166 WeakPolarHBondContact CB-OE2 3.5Å; S127-E166 PolarHBondContact N-OE1 3.27Å; S127-E166 PolarHBondContact N-OE2 3.12Å; S127-E166 PolarHBondContact OG-OE2 2.93Å; I128-E166 HydrophobicContact CG2-CG 4.32Å; I128-E166 WeakPolarHBondContact CG2-OE1 3.48Å; I128-E166 PolarHBondContact N-OE1 3.05Å; T162-E166 WeakPolarHBondContact O-CB 3.47Å; T162-E166 PolarHBondContact O-N 2.74Å; F163-E166 WeakPolarHBondContact O-CB 3.24Å; F163-E166 PolarHBondContact O-N 3.34Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.39Å; E166-I169 PolarHBondContact O-N 3.43Å; E166-K170 HydrophobicContact CG-CD 3.72Å; E166-K170 HydrophobicContact CG-CG 4.34Å; E166-K170 WeakPolarHBondContact O-CB 3.1Å; E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 2.93Å; E166-K170 IonicContact OE1-NZ 2.68Å; E166-K170 PolarHBondContact OE1-NZ 3.44Å; E166-F361 HydrophobicContact CB-CD2 4.28Å; E166-F361 HydrophobicContact CB-CE1 4.3Å; E166-F361 HydrophobicContact CB-CE2 3.42Å; E166-F361 VanDerWaalsContact CB-CE2 3.42Å; E166-F361 HydrophobicContact CB-CZ 3.43Å; E166-F361 VanDerWaalsContact CB-CZ 3.43Å; E166-F361 HydrophobicContact CG-CE1 3.89Å; E166-F361 HydrophobicContact CG-CE2 3.94Å; E166-F361 HydrophobicContact CG-CZ 3.38Å |
| 167 | C | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 177 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | F163 Q165 I169 Y171 S172 | F163-C167 PolarHBondContact O-N 3.26Å; F163-C167 PolarHBondContact O-SG 3.48Å; Q165-C167 PolarHBondContact O-N 3.11Å; C167-I169 PolarHBondContact O-N 3.22Å; C167-Y171 CarbonylContact O-C 3.52Å; C167-Y171 VanDerWaalsContact O-CA 3.28Å; C167-Y171 WeakPolarHBondContact O-CA 3.35Å; C167-Y171 PolarHBondContact O-N 3.48Å; C167-S172 PolarHBondContact O-N 2.93Å |
| 168 | K | 97.7 | Very high | 96.5 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 42% | 0.422 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.6 | -41 | 177.4 | -76.8 | 173.2 | 177.9 | 178.9 | 0 | 113 | K164 Q165 E166 V173 | K164-K168 WeakPolarHBondContact O-CG 3.27Å; K164-K168 PolarHBondContact O-N 2.98Å; K164-K168 VanDerWaalsContact O-N 3.16Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 3.23Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 3.39Å; K168-V173 HydrophobicContact CD-CG2 4.26Å; K168-V173 HydrophobicContact CG-CG2 3.67Å |
| 169 | I | 96.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 33.5 Ų | 33.5 | 34% | 0.344 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -79.4 | -39.4 | -177.5 | -65.3 | -64.7 | 0 | 0 | 0 | 111.8 | R56 Q165 E166 C167 F361 | R56-I169 PolarHBondContact NH1-O 3.4Å; R56-I169 VanDerWaalsContact NH1-O 3.12Å; Q165-I169 HydrophobicContact CG-CG1 4.31Å; Q165-I169 WeakPolarHBondContact O-CG1 3.38Å; Q165-I169 PolarHBondContact O-N 2.87Å; E166-I169 PolarHBondContact O-N 3.43Å; C167-I169 PolarHBondContact O-N 3.22Å; I169-F361 HydrophobicContact CB-CB 4.26Å; I169-F361 HydrophobicContact CG1-CB 3.97Å; I169-F361 HydrophobicContact CG2-CB 4.1Å |
| 170 | K | 98 | Very high | 97 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -84 | -40.2 | -176 | -66.6 | -176.2 | -178.2 | 178.1 | 0 | 112.6 | R56 Y125 I128 E129 E166 | R56-K170 WeakPolarHBondContact CD-O 3.47Å; R56-K170 PolarHBondContact NH1-O 3.17Å; R56-K170 VanDerWaalsContact NH1-O 3.12Å; Y125-K170 PolarHBondContact O-NZ 3.09Å; I128-K170 HydrophobicContact CG2-CB 4.43Å; I128-K170 HydrophobicContact CG2-CD 3.57Å; E129-K170 IonicContact OE1-NZ 3.27Å; E129-K170 PolarHBondContact OE1-NZ 2.83Å; E129-K170 IonicContact OE2-NZ 2.89Å; E129-K170 PolarHBondContact OE2-NZ 3.45Å; E166-K170 HydrophobicContact CG-CD 3.72Å; E166-K170 HydrophobicContact CG-CG 4.34Å; E166-K170 WeakPolarHBondContact O-CB 3.1Å; E166-K170 WeakPolarHBondContact O-CG 3.29Å; E166-K170 PolarHBondContact O-N 2.93Å; E166-K170 IonicContact OE1-NZ 2.68Å; E166-K170 PolarHBondContact OE1-NZ 3.44Å |
| 171 | Y | 98.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -131.1 | -105.4 | -174.3 | -65.6 | -90.3 | 0 | 0 | 0 | 111.1 | I57 A62 I128 L132 C167 V175 | I57-Y171 HydrophobicContact CG1-CE1 4.13Å; I57-Y171 PolarHBondContact N-OH 3.47Å; I57-Y171 WeakPolarHBondContact O-CE1 3.5Å; A62-Y171 HydrophobicContact CB-CD1 4.16Å; A62-Y171 HydrophobicContact CB-CE1 3.84Å; I128-Y171 HydrophobicContact CB-CE2 4.44Å; I128-Y171 HydrophobicContact CG1-CD2 3.87Å; I128-Y171 HydrophobicContact CG1-CE2 3.72Å; I128-Y171 HydrophobicContact CG2-CD2 4.19Å; I128-Y171 HydrophobicContact CG2-CE2 3.76Å; L132-Y171 HydrophobicContact CD1-CE2 4.24Å; L132-Y171 WeakPolarHBondContact CD1-OH 3.31Å; C167-Y171 CarbonylContact O-C 3.52Å; C167-Y171 VanDerWaalsContact O-CA 3.28Å; C167-Y171 WeakPolarHBondContact O-CA 3.35Å; C167-Y171 PolarHBondContact O-N 3.48Å; Y171-V175 HydrophobicContact CD1-CG2 4.41Å; Y171-V175 HydrophobicContact CG-CG1 4.42Å; Y171-V175 HydrophobicContact CG-CG2 4.29Å |
| 172 | S | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -156.4 | 170.1 | -179 | 75.5 | 0 | 0 | 0 | 0 | 110.8 | E59 C167 M174 V175 Y176 | E59-S172 WeakPolarHBondContact OE1-CB 3.5Å; E59-S172 PolarHBondContact OE1-OG 2.92Å; E59-S172 WeakPolarHBondContact OE2-CB 3.3Å; E59-S172 PolarHBondContact OE2-OG 2.77Å; C167-S172 PolarHBondContact O-N 2.93Å; S172-M174 PolarHBondContact O-N 3.17Å; S172-M174 PolarHBondContact OG-N 2.88Å; S172-M174 VanDerWaalsContact OG-N 3.17Å; S172-V175 PolarHBondContact O-N 2.88Å; S172-V175 PolarHBondContact OG-N 3.17Å; S172-Y176 PolarHBondContact O-N 3.28Å | ||
| 173 | V | 98.3 | Very high | 98.2 | Very high | 66 Ų | 66 | 33.1 Ų | 33.1 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.9 | -29.6 | 170.1 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | K168 V175 Y176 E177 | K168-V173 HydrophobicContact CD-CG2 4.26Å; K168-V173 HydrophobicContact CG-CG2 3.67Å; V173-V175 VanDerWaalsContact C-N 3.31Å; V173-V175 PolarHBondContact O-N 2.82Å; V173-Y176 WeakPolarHBondContact O-CB 3.46Å; V173-Y176 PolarHBondContact O-N 2.83Å; V173-Y176 VanDerWaalsContact O-N 3.14Å; V173-E177 HydrophobicContact CG1-CG 4.22Å; V173-E177 WeakPolarHBondContact O-CG 3.33Å; V173-E177 PolarHBondContact O-N 2.77Å |
| 174 | M | 98.5 | Very high | 98.3 | Very high | 119 Ų | 119 | 34 Ų | 34 | 59% | 0.586 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -64.9 | -36.7 | 178.7 | -61.7 | -175 | -63.9 | 0 | 0 | 111.9 | E59 S172 A178 | E59-M174 WeakPolarHBondContact OE1-CE 3.37Å; S172-M174 PolarHBondContact O-N 3.17Å; S172-M174 PolarHBondContact OG-N 2.88Å; S172-M174 VanDerWaalsContact OG-N 3.17Å; M174-A178 WeakPolarHBondContact O-CB 3.41Å; M174-A178 PolarHBondContact O-N 3.35Å |
| 175 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 173 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | E59 M63 I66 I128 Y171 S172 V173 A178 C179 | E59-V175 HydrophobicContact CG-CG2 3.73Å; M63-V175 HydrophobicContact CG-CG2 4.2Å; M63-V175 HydrophobicContact SD-CB 4.43Å; M63-V175 HydrophobicContact SD-CG2 3.9Å; I66-V175 HydrophobicContact CD1-CG1 3.83Å; I128-V175 HydrophobicContact CD1-CG1 3.92Å; Y171-V175 HydrophobicContact CD1-CG2 4.41Å; Y171-V175 HydrophobicContact CG-CG1 4.42Å; Y171-V175 HydrophobicContact CG-CG2 4.29Å; S172-V175 PolarHBondContact O-N 2.88Å; S172-V175 PolarHBondContact OG-N 3.17Å; V173-V175 VanDerWaalsContact C-N 3.31Å; V173-V175 PolarHBondContact O-N 2.82Å; V175-A178 PolarHBondContact O-N 2.87Å; V175-C179 PolarHBondContact O-N 3.43Å; V175-C179 PolarHBondContact O-SG 2.87Å; V175-C179 VanDerWaalsContact O-SG 3.35Å |
| 176 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 175 | 172.3 | -101.6 | 0 | 0 | 0 | 111.9 | T158 F163 K164 S172 V173 A178 C179 M180 | T158-Y176 WeakPolarHBondContact OG1-CE2 3.16Å; T158-Y176 PolarHBondContact OG1-OH 2.86Å; F163-Y176 HydrophobicContact CD1-CD2 4.19Å; F163-Y176 HydrophobicContact CD1-CE2 4.19Å; F163-Y176 HydrophobicContact CE1-CD2 4.35Å; K164-Y176 HydrophobicContact CB-CD2 3.89Å; K164-Y176 HydrophobicContact CB-CE1 4.46Å; K164-Y176 HydrophobicContact CB-CE2 3.59Å; K164-Y176 HydrophobicContact CB-CG 4.44Å; K164-Y176 HydrophobicContact CD-CD1 4.19Å; K164-Y176 HydrophobicContact CD-CE1 3.7Å; K164-Y176 HydrophobicContact CD-CE2 4.3Å; K164-Y176 HydrophobicContact CG-CD1 4.01Å; K164-Y176 HydrophobicContact CG-CD2 4.01Å; K164-Y176 HydrophobicContact CG-CE1 3.93Å; K164-Y176 HydrophobicContact CG-CE2 3.93Å; K164-Y176 HydrophobicContact CG-CG 4.05Å; S172-Y176 PolarHBondContact O-N 3.28Å; V173-Y176 WeakPolarHBondContact O-CB 3.46Å; V173-Y176 PolarHBondContact O-N 2.83Å; V173-Y176 VanDerWaalsContact O-N 3.14Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 2.79Å; Y176-C179 WeakPolarHBondContact O-CA 3.18Å; Y176-C179 WeakPolarHBondContact O-CB 3.37Å; Y176-C179 PolarHBondContact O-N 3.2Å; Y176-M180 HydrophobicContact CD1-CG 4.27Å; Y176-M180 HydrophobicContact CD2-CE 4.14Å; Y176-M180 HydrophobicContact CD2-CG 4.49Å; Y176-M180 HydrophobicContact CE1-CG 3.79Å; Y176-M180 HydrophobicContact CE1-SD 4.43Å; Y176-M180 HydrophobicContact CE2-CE 3.62Å; Y176-M180 HydrophobicContact CE2-CG 4.04Å; Y176-M180 HydrophobicContact CE2-SD 3.87Å; Y176-M180 WeakPolarHBondContact O-CG 3.33Å; Y176-M180 PolarHBondContact O-N 3.49Å |
| 177 | E | 98.7 | Very high | 98.5 | Very high | 78 Ų | 78 | 29.5 Ų | 29.5 | 36% | 0.364 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.5 | -39 | 179 | -63.6 | -56.6 | 150 | 0 | 0 | 111.7 | V173 C179 M180 E181 | V173-E177 HydrophobicContact CG1-CG 4.22Å; V173-E177 WeakPolarHBondContact O-CG 3.33Å; V173-E177 PolarHBondContact O-N 2.77Å; E177-C179 PolarHBondContact O-N 3.16Å; E177-M180 PolarHBondContact O-N 2.89Å; E177-E181 PolarHBondContact O-N 3.07Å |
| 178 | A | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M63 I66 M174 V175 Y176 S182 | M63-A178 HydrophobicContact CE-CB 3.7Å; M63-A178 HydrophobicContact SD-CB 3.64Å; I66-A178 HydrophobicContact CG2-CB 3.94Å; I66-A178 WeakPolarHBondContact CG2-O 3.31Å; M174-A178 WeakPolarHBondContact O-CB 3.41Å; M174-A178 PolarHBondContact O-N 3.35Å; V175-A178 PolarHBondContact O-N 2.87Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 2.79Å; A178-S182 WeakPolarHBondContact O-CB 3.37Å; A178-S182 PolarHBondContact O-N 3.05Å |
| 179 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | I66 F163 V175 Y176 E177 E181 S182 F183 | I66-C179 VanDerWaalsContact CD1-SG 3.56Å; F163-C179 HydrophobicContact CE1-CB 3.95Å; F163-C179 HydrophobicContact CZ-CB 4.12Å; V175-C179 PolarHBondContact O-N 3.43Å; V175-C179 PolarHBondContact O-SG 2.87Å; V175-C179 VanDerWaalsContact O-SG 3.35Å; Y176-C179 WeakPolarHBondContact O-CA 3.18Å; Y176-C179 WeakPolarHBondContact O-CB 3.37Å; Y176-C179 PolarHBondContact O-N 3.2Å; E177-C179 PolarHBondContact O-N 3.16Å; C179-E181 PolarHBondContact O-N 3.02Å; C179-S182 CarbonylContact O-C 3.35Å; C179-S182 WeakPolarHBondContact O-CA 3.28Å; C179-S182 VanDerWaalsContact O-CB 3.24Å; C179-S182 WeakPolarHBondContact O-CB 3.38Å; C179-S182 PolarHBondContact O-N 2.81Å; C179-F183 HydrophobicContact CB-CE1 4.42Å; C179-F183 HydrophobicContact CB-CZ 4.23Å; C179-F183 WeakPolarHBondContact O-CB 3.46Å; C179-F183 VanDerWaalsContact O-CD1 3.25Å; C179-F183 WeakPolarHBondContact O-CD1 3.44Å; C179-F183 WeakPolarHBondContact O-CG 3.43Å; C179-F183 PolarHBondContact O-N 3.27Å |
| 180 | M | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.9 | -63.5 | -59.7 | 100.2 | 0 | 0 | 112.3 | R155 T158 F163 Y176 E177 S182 F183 D184 | R155-M180 HydrophobicContact CB-SD 4.23Å; R155-M180 HydrophobicContact CG-CB 4.04Å; R155-M180 HydrophobicContact CG-CG 3.7Å; R155-M180 HydrophobicContact CG-SD 3.55Å; R155-M180 VanDerWaalsContact CG-SD 3.55Å; T158-M180 HydrophobicContact CG2-CE 4.14Å; T158-M180 PolarHBondContact OG1-SD 2.88Å; F163-M180 HydrophobicContact CD1-CE 4.08Å; F163-M180 HydrophobicContact CE1-CE 3.89Å; Y176-M180 HydrophobicContact CD1-CG 4.27Å; Y176-M180 HydrophobicContact CD2-CE 4.14Å; Y176-M180 HydrophobicContact CD2-CG 4.49Å; Y176-M180 HydrophobicContact CE1-CG 3.79Å; Y176-M180 HydrophobicContact CE1-SD 4.43Å; Y176-M180 HydrophobicContact CE2-CE 3.62Å; Y176-M180 HydrophobicContact CE2-CG 4.04Å; Y176-M180 HydrophobicContact CE2-SD 3.87Å; Y176-M180 WeakPolarHBondContact O-CG 3.33Å; Y176-M180 PolarHBondContact O-N 3.49Å; E177-M180 PolarHBondContact O-N 2.89Å; M180-S182 PolarHBondContact O-N 2.93Å; M180-F183 HydrophobicContact CE-CD2 3.35Å; M180-F183 HydrophobicContact CE-CE2 3.38Å; M180-F183 HydrophobicContact CE-CG 4.4Å; M180-F183 HydrophobicContact CE-CZ 4.43Å; M180-F183 PolarHBondContact O-N 2.86Å; M180-F183 HydrophobicContact SD-CD2 4.34Å; M180-D184 PolarHBondContact O-N 3.26Å; M180-D184 VanDerWaalsContact O-N 3.07Å |
| 181 | E | 98.5 | Very high | 98.7 | Very high | 119 Ų | 119 | 21.9 Ų | 21.9 | 56% | 0.556 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -61.5 | -33.2 | 172.5 | -70.4 | -176 | -170.9 | 0 | 0 | 112.7 | E177 C179 | E177-E181 PolarHBondContact O-N 3.07Å; C179-E181 PolarHBondContact O-N 3.02Å |
| 182 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.7 | -41.5 | 176.2 | -153 | 0 | 0 | 0 | 0 | 112.3 | T70 W135 A178 C179 M180 D184 A185 | T70-S182 WeakPolarHBondContact OG1-CA 3.07Å; T70-S182 WeakPolarHBondContact OG1-CB 3.33Å; T70-S182 PolarHBondContact OG1-OG 3.47Å; W135-S182 PolarHBondContact NE1-OG 3.36Å; A178-S182 WeakPolarHBondContact O-CB 3.37Å; A178-S182 PolarHBondContact O-N 3.05Å; C179-S182 CarbonylContact O-C 3.35Å; C179-S182 WeakPolarHBondContact O-CA 3.28Å; C179-S182 VanDerWaalsContact O-CB 3.24Å; C179-S182 WeakPolarHBondContact O-CB 3.38Å; C179-S182 PolarHBondContact O-N 2.81Å; M180-S182 PolarHBondContact O-N 2.93Å; S182-D184 VanDerWaalsContact C-N 3.3Å; S182-D184 PolarHBondContact O-N 2.9Å; S182-A185 WeakPolarHBondContact O-CA 3.31Å; S182-A185 WeakPolarHBondContact O-CB 3.5Å; S182-A185 PolarHBondContact O-N 2.89Å |
| 183 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 178.9 | -69.7 | -2.6 | 0 | 0 | 0 | 111.7 | V121 V131 W135 R149 E153 F163 C179 M180 A185 L186 | V121-F183 HydrophobicContact CG1-CE2 4.22Å; V121-F183 HydrophobicContact CG1-CZ 3.75Å; V121-F183 HydrophobicContact CG2-CE2 4.15Å; V121-F183 HydrophobicContact CG2-CZ 4.46Å; V131-F183 HydrophobicContact CG1-CE1 4.46Å; V131-F183 HydrophobicContact CG2-CE1 4.18Å; V131-F183 HydrophobicContact CG2-CZ 3.96Å; W135-F183 AromaticContact CH2-CD1 3.91Å; W135-F183 HydrophobicContact CH2-CD1 3.91Å; W135-F183 AromaticContact CH2-CE1 3.56Å; W135-F183 HydrophobicContact CH2-CE1 3.56Å; W135-F183 AromaticContact CZ2-CD1 3.86Å; W135-F183 HydrophobicContact CZ2-CD1 3.86Å; W135-F183 AromaticContact CZ2-CE1 3.8Å; W135-F183 HydrophobicContact CZ2-CE1 3.8Å; W135-F183 HydrophobicContact CZ3-CE1 4.49Å; R149-F183 WeakPolarHBondContact CD-O 3.37Å; R149-F183 VanDerWaalsContact CZ-O 3.31Å; R149-F183 PolarHBondContact NE-O 2.92Å; E153-F183 HydrophobicContact CB-CB 3.93Å; E153-F183 HydrophobicContact CB-CD1 4.34Å; E153-F183 HydrophobicContact CB-CD2 3.73Å; E153-F183 HydrophobicContact CB-CE2 4.3Å; E153-F183 HydrophobicContact CB-CG 3.75Å; E153-F183 HydrophobicContact CG-CB 4.49Å; E153-F183 HydrophobicContact CG-CD1 3.96Å; E153-F183 HydrophobicContact CG-CD2 3.86Å; E153-F183 HydrophobicContact CG-CE1 4.12Å; E153-F183 HydrophobicContact CG-CE2 3.99Å; E153-F183 HydrophobicContact CG-CG 3.84Å; E153-F183 HydrophobicContact CG-CZ 4.13Å; E153-F183 WeakPolarHBondContact O-CB 3.18Å; F163-F183 HydrophobicContact CD1-CE2 4.33Å; F163-F183 AromaticContact CE1-CE2 3.82Å; F163-F183 HydrophobicContact CE1-CE2 3.82Å; F163-F183 AromaticContact CE1-CZ 3.88Å; F163-F183 HydrophobicContact CE1-CZ 3.88Å; F163-F183 HydrophobicContact CZ-CZ 4.25Å; C179-F183 HydrophobicContact CB-CE1 4.42Å; C179-F183 HydrophobicContact CB-CZ 4.23Å; C179-F183 WeakPolarHBondContact O-CB 3.46Å; C179-F183 VanDerWaalsContact O-CD1 3.25Å; C179-F183 WeakPolarHBondContact O-CD1 3.44Å; C179-F183 WeakPolarHBondContact O-CG 3.43Å; C179-F183 PolarHBondContact O-N 3.27Å; M180-F183 HydrophobicContact CE-CD2 3.35Å; M180-F183 HydrophobicContact CE-CE2 3.38Å; M180-F183 HydrophobicContact CE-CG 4.4Å; M180-F183 HydrophobicContact CE-CZ 4.43Å; M180-F183 PolarHBondContact O-N 2.86Å; M180-F183 HydrophobicContact SD-CD2 4.34Å; F183-A185 PolarHBondContact O-N 2.83Å; F183-A185 VanDerWaalsContact O-N 3.17Å; F183-L186 HydrophobicContact CB-CD1 4.39Å; F183-L186 HydrophobicContact CD1-CD1 4.06Å; F183-L186 HydrophobicContact CG-CD1 4.47Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.1Å |
| 184 | D | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 10% | 0.102 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.9 | 171.2 | -66.1 | -24.7 | 0 | 0 | 0 | 112.7 | R149 R155 M180 S182 R218 F219 R220 | R149-D184 IonicContact CZ-OD1 3.76Å; R149-D184 IonicContact NH1-OD1 3.54Å; R149-D184 IonicContact NH2-OD1 3.94Å; R149-D184 PolarHBondContact NH2-OD1 2.87Å; R155-D184 IonicContact CZ-OD2 3.5Å; R155-D184 IonicContact NH1-OD1 2.87Å; R155-D184 PolarHBondContact NH1-OD1 3.46Å; R155-D184 IonicContact NH1-OD2 3.84Å; R155-D184 PolarHBondContact NH1-OD2 2.87Å; R155-D184 IonicContact NH2-OD2 3.92Å; R155-D184 PolarHBondContact NH2-OD2 3.3Å; M180-D184 PolarHBondContact O-N 3.26Å; M180-D184 VanDerWaalsContact O-N 3.07Å; S182-D184 VanDerWaalsContact C-N 3.3Å; S182-D184 PolarHBondContact O-N 2.9Å; D184-R218 VanDerWaalsContact O-O 3.11Å; D184-F219 WeakPolarHBondContact O-CA 3.39Å; D184-R220 VanDerWaalsContact OD1-C 3.25Å |
| 185 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -14.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T70 L73 K74 S182 F183 R218 F219 | T70-A185 HydrophobicContact CG2-CB 4.22Å; L73-A185 HydrophobicContact CB-CB 3.83Å; K74-A185 HydrophobicContact CG-CB 3.65Å; S182-A185 WeakPolarHBondContact O-CA 3.31Å; S182-A185 WeakPolarHBondContact O-CB 3.5Å; S182-A185 PolarHBondContact O-N 2.89Å; F183-A185 PolarHBondContact O-N 2.83Å; F183-A185 VanDerWaalsContact O-N 3.17Å; A185-R218 PolarHBondContact O-NE 2.9Å; A185-R218 VanDerWaalsContact O-NE 3.12Å; A185-R218 PolarHBondContact O-NH2 3.23Å; A185-F219 HydrophobicContact CB-CD1 4.38Å; A185-F219 HydrophobicContact CB-CE1 4.12Å |
| 186 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -60.4 | 130.2 | -177.2 | -74.6 | 165.6 | 0 | 0 | 0 | 111.2 | L73 Y120 W135 L147 R149 E153 F183 R218 | L73-L186 HydrophobicContact CD1-CD2 3.72Å; L73-L186 HydrophobicContact CD1-CG 4.18Å; L73-L186 HydrophobicContact CD2-CD2 3.95Å; L73-L186 HydrophobicContact CG-CD2 4.47Å; Y120-L186 HydrophobicContact CE2-CD1 4.03Å; Y120-L186 HydrophobicContact CE2-CD2 4.33Å; W135-L186 HydrophobicContact CH2-CD1 4.35Å; W135-L186 HydrophobicContact CH2-CD2 4.35Å; W135-L186 HydrophobicContact CZ2-CD2 4.4Å; L147-L186 HydrophobicContact CB-CD2 3.7Å; R149-L186 HydrophobicContact CB-CB 3.66Å; R149-L186 HydrophobicContact CB-CD1 4.32Å; R149-L186 HydrophobicContact CG-CB 4.03Å; R149-L186 HydrophobicContact CG-CD1 4.15Å; E153-L186 HydrophobicContact CB-CD1 3.99Å; E153-L186 HydrophobicContact CG-CD1 3.72Å; F183-L186 HydrophobicContact CB-CD1 4.39Å; F183-L186 HydrophobicContact CD1-CD1 4.06Å; F183-L186 HydrophobicContact CG-CD1 4.47Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.1Å; L186-R218 VanDerWaalsContact O-CD 3.3Å; L186-R218 WeakPolarHBondContact O-CD 3.46Å; L186-R218 PolarHBondContact O-NE 3.29Å |
| 187 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -53.1 | 150.1 | 168.6 | -26.4 | 34 | 0 | 0 | 0 | 112.8 | E76 L80 L147 L148 R149 | E76-P187 HydrophobicContact CB-CG 4.02Å; L80-P187 HydrophobicContact CD1-CB 4.13Å; L80-P187 HydrophobicContact CD1-CG 4.11Å; L80-P187 HydrophobicContact CD2-CB 4.07Å; L80-P187 HydrophobicContact CD2-CG 3.77Å; L80-P187 HydrophobicContact CG-CB 3.85Å; L80-P187 HydrophobicContact CG-CG 4.02Å; L147-P187 WeakPolarHBondContact O-CD 3.45Å; L148-P187 CarbonylContact C-O 3.6Å; L148-P187 VanDerWaalsContact CA-O 3.31Å; L148-P187 WeakPolarHBondContact CA-O 3.4Å; L148-P187 HydrophobicContact CD2-CB 3.88Å; R149-P187 PolarHBondContact N-O 2.9Å | ||
| 188 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -94.8 | -21.8 | -177 | -59.3 | -179.1 | 0 | 0 | 0 | 113 | T78 R149 L216 R218 M228 L231 L232 | T78-L188 HydrophobicContact CG2-CB 4.1Å; T78-L188 HydrophobicContact CG2-CD1 3.84Å; T78-L188 HydrophobicContact CG2-CG 3.94Å; T78-L188 PolarHBondContact O-N 2.76Å; R149-L188 HydrophobicContact CB-CD2 4.05Å; L188-L216 HydrophobicContact CD1-CB 4.33Å; L188-L216 HydrophobicContact CD1-CD1 4.06Å; L188-R218 HydrophobicContact CD1-CB 3.8Å; L188-R218 HydrophobicContact CD2-CB 4.2Å; L188-R218 HydrophobicContact CG-CB 3.83Å; L188-M228 HydrophobicContact CD1-CB 4.45Å; L188-M228 HydrophobicContact CD1-CG 3.92Å; L188-M228 HydrophobicContact CD2-CE 4.1Å; L188-M228 HydrophobicContact CD2-CG 4.45Å; L188-L231 HydrophobicContact CB-CD1 4.29Å; L188-L231 HydrophobicContact CD1-CD1 4.41Å; L188-L232 HydrophobicContact CD2-CD2 4.38Å |
| 189 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T78 M79 L80 L197 C198 V199 I213 | T78-A189 PolarHBondContact O-N 2.65Å; M79-A189 CarbonylContact C-O 3.41Å; M79-A189 VanDerWaalsContact CA-O 3.31Å; M79-A189 WeakPolarHBondContact CA-O 3.31Å; M79-A189 HydrophobicContact CB-CB 4.36Å; M79-A189 HydrophobicContact CG-CB 3.94Å; L80-A189 PolarHBondContact N-O 2.85Å; A189-L197 HydrophobicContact CB-CD1 4.11Å; A189-C198 CarbonylContact C-O 3.07Å; A189-C198 VanDerWaalsContact CA-O 3.26Å; A189-C198 WeakPolarHBondContact CA-O 3.34Å; A189-V199 HydrophobicContact CB-CG1 3.82Å; A189-I213 HydrophobicContact CB-CD1 4.44Å; A189-I213 HydrophobicContact CB-CG2 3.86Å |
| 190 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L80 I82 L115 L148 C198 | L80-A190 HydrophobicContact CB-CB 3.88Å; L80-A190 CarbonylContact O-C 3.14Å; L80-A190 WeakPolarHBondContact O-CA 3.35Å; I82-A190 HydrophobicContact CD1-CB 3.74Å; I82-A190 HydrophobicContact CG1-CB 4.37Å; L115-A190 HydrophobicContact CD1-CB 4.07Å; L115-A190 HydrophobicContact CD2-CB 3.94Å; L148-A190 HydrophobicContact CD1-CB 4.39Å; L148-A190 HydrophobicContact CD2-CB 4.36Å; A190-C198 HydrophobicContact CB-CB 4.16Å; A190-C198 PolarHBondContact N-O 3.25Å; A190-C198 WeakPolarHBondContact O-CB 3.13Å; A190-C198 PolarHBondContact O-N 3.01Å |
| 191 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 103.7 | 165 | 179.6 | 60.8 | 0 | 0 | 0 | 108.3 | M79 L80 I82 Q194 F196 L210 L289 | M79-L191 HydrophobicContact CE-CB 3.98Å; M79-L191 HydrophobicContact CE-CD2 4.26Å; M79-L191 HydrophobicContact SD-CB 4.34Å; L80-L191 PolarHBondContact O-N 3.34Å; I82-L191 PolarHBondContact N-O 2.89Å; L191-Q194 VanDerWaalsContact CD2-OE1 3.28Å; L191-F196 WeakPolarHBondContact CA-O 3.29Å; L191-L210 HydrophobicContact CD1-CD1 4.11Å; L191-L210 HydrophobicContact CD2-CD1 3.98Å; L191-L289 HydrophobicContact CD1-CD2 3.56Å |
| 192 | M | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.7 | -177.4 | -173.7 | -84.4 | -75.6 | 0 | 0 | 110.8 | I82 V86 Q194 Q195 F196 I293 Y339 | I82-M192 CarbonylContact O-C 3.56Å; I82-M192 VanDerWaalsContact O-CA 3.32Å; I82-M192 WeakPolarHBondContact O-CA 3.28Å; V86-M192 HydrophobicContact CG1-CE 4.35Å; V86-M192 HydrophobicContact CG1-CG 3.65Å; V86-M192 HydrophobicContact CG1-SD 3.83Å; M192-Q194 PolarHBondContact O-N 2.99Å; M192-Q195 PolarHBondContact O-N 2.97Å; M192-F196 HydrophobicContact CB-CB 4.23Å; M192-F196 HydrophobicContact CE-CB 3.88Å; M192-F196 HydrophobicContact CE-CD2 3.15Å; M192-F196 HydrophobicContact CE-CE2 3.75Å; M192-F196 HydrophobicContact CE-CG 3.6Å; M192-F196 PolarHBondContact N-O 3.14Å; M192-F196 PolarHBondContact O-N 3.07Å; M192-F196 HydrophobicContact SD-CD2 3.58Å; M192-F196 VanDerWaalsContact SD-CD2 3.58Å; M192-F196 HydrophobicContact SD-CE2 4.18Å; M192-F196 HydrophobicContact SD-CG 4.46Å; M192-I293 HydrophobicContact CE-CD1 3.79Å; M192-Y339 HydrophobicContact CE-CD1 4.11Å; M192-Y339 HydrophobicContact CE-CG 4.3Å; M192-Y339 HydrophobicContact SD-CD1 3.63Å; M192-Y339 HydrophobicContact SD-CE1 4.14Å; M192-Y339 HydrophobicContact SD-CG 4.38Å |
| 193 | N | 97.7 | Very high | 98.2 | Very high | 48 Ų | 48 | 12.8 Ų | 12.8 | 26% | 0.257 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.2 | -179.9 | -154.7 | 58.2 | 0 | 0 | 0 | 114.6 | I82 A84 Q195 Y339 | I82-N193 PolarHBondContact O-N 2.75Å; A84-N193 HydrophobicContact CB-CB 4.47Å; A84-N193 PolarHBondContact N-OD1 3.36Å; N193-Q195 PolarHBondContact ND2-OE1 3.26Å; N193-Q195 WeakPolarHBondContact O-CG 3.47Å; N193-Q195 PolarHBondContact O-N 3.05Å; N193-Q195 VanDerWaalsContact O-N 3.08Å; N193-Y339 HydrophobicContact CB-CE1 3.96Å |
| 194 | Q | 97.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 12.8 Ų | 12.8 | 58% | 0.584 | 6% | 0.064 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 21.5 | -172.9 | -56.7 | -65.7 | -46 | 0 | 0 | 113.7 | L191 M192 | L191-Q194 VanDerWaalsContact CD2-OE1 3.28Å; M192-Q194 PolarHBondContact O-N 2.99Å |
| 195 | Q | 97.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 13.7 Ų | 13.7 | 28% | 0.28 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -30.2 | -173.2 | -74.9 | 178.6 | -55.4 | 0 | 0 | 112.5 | M192 N193 L290 Y339 | M192-Q195 PolarHBondContact O-N 2.97Å; N193-Q195 PolarHBondContact ND2-OE1 3.26Å; N193-Q195 WeakPolarHBondContact O-CG 3.47Å; N193-Q195 PolarHBondContact O-N 3.05Å; N193-Q195 VanDerWaalsContact O-N 3.08Å; Q195-L290 HydrophobicContact CB-CB 4.3Å; Q195-L290 PolarHBondContact O-N 2.98Å; Q195-Y339 PolarHBondContact OE1-OH 3.14Å |
| 196 | F | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.2 | -171.5 | -54.1 | -83.1 | 0 | 0 | 0 | 110.4 | L191 M192 L290 S291 I293 F314 Y339 M344 | L191-F196 WeakPolarHBondContact CA-O 3.29Å; M192-F196 HydrophobicContact CB-CB 4.23Å; M192-F196 HydrophobicContact CE-CB 3.88Å; M192-F196 HydrophobicContact CE-CD2 3.15Å; M192-F196 HydrophobicContact CE-CE2 3.75Å; M192-F196 HydrophobicContact CE-CG 3.6Å; M192-F196 PolarHBondContact N-O 3.14Å; M192-F196 PolarHBondContact O-N 3.07Å; M192-F196 HydrophobicContact SD-CD2 3.58Å; M192-F196 VanDerWaalsContact SD-CD2 3.58Å; M192-F196 HydrophobicContact SD-CE2 4.18Å; M192-F196 HydrophobicContact SD-CG 4.46Å; F196-L290 HydrophobicContact CE1-CB 4.3Å; F196-L290 HydrophobicContact CE1-CD2 3.95Å; F196-L290 HydrophobicContact CE1-CG 4.25Å; F196-L290 HydrophobicContact CZ-CD2 3.8Å; F196-S291 WeakPolarHBondContact CA-O 3.36Å; F196-I293 HydrophobicContact CB-CD1 3.93Å; F196-I293 HydrophobicContact CB-CG1 4.33Å; F196-I293 HydrophobicContact CD1-CD1 3.86Å; F196-I293 HydrophobicContact CD1-CG1 4.2Å; F196-I293 HydrophobicContact CG-CD1 3.93Å; F196-F314 AromaticContact CE1-CE1 3.8Å; F196-F314 HydrophobicContact CE1-CE1 3.8Å; F196-F314 HydrophobicContact CE1-CZ 4.16Å; F196-F314 HydrophobicContact CZ-CZ 4.49Å; F196-Y339 HydrophobicContact CE2-CD1 4.48Å; F196-Y339 HydrophobicContact CE2-CE1 4.04Å; F196-Y339 HydrophobicContact CE2-CE2 4.24Å; F196-Y339 AromaticContact CE2-CZ 3.9Å; F196-Y339 HydrophobicContact CZ-CE2 4.4Å; F196-M344 HydrophobicContact CD1-CE 4.31Å; F196-M344 HydrophobicContact CE1-CE 3.64Å; F196-M344 HydrophobicContact CZ-CE 3.76Å |
| 197 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.8 | 163.6 | 174.2 | 63.6 | 0 | 0 | 0 | 108.1 | A189 V199 L203 L210 I213 F283 L289 S291 I292 I293 | A189-L197 HydrophobicContact CB-CD1 4.11Å; L197-V199 HydrophobicContact CD1-CG1 3.98Å; L197-V199 HydrophobicContact CD2-CG1 4.31Å; L197-V199 HydrophobicContact CG-CG1 3.98Å; L197-L203 HydrophobicContact CD2-CD2 4.37Å; L197-L210 HydrophobicContact CD1-CD2 4.12Å; L197-I213 HydrophobicContact CD1-CD1 3.89Å; L197-I213 HydrophobicContact CD2-CD1 4.16Å; L197-F283 HydrophobicContact CD2-CD1 4.49Å; L197-F283 HydrophobicContact CD2-CE1 3.49Å; L197-F283 VanDerWaalsContact CD2-CE1 3.49Å; L197-F283 HydrophobicContact CD2-CZ 3.76Å; L197-L289 HydrophobicContact CB-CD1 3.84Å; L197-S291 PolarHBondContact N-O 3.34Å; L197-I292 HydrophobicContact CB-CG1 4.48Å; L197-I292 CarbonylContact O-C 3.53Å; L197-I292 WeakPolarHBondContact O-CA 3.29Å; L197-I293 PolarHBondContact O-N 2.83Å |
| 198 | C | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.5 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | L115 L117 A189 A190 I293 | L115-C198 HydrophobicContact CD2-CB 3.71Å; L117-C198 HydrophobicContact CD2-CB 3.81Å; A189-C198 CarbonylContact C-O 3.07Å; A189-C198 VanDerWaalsContact CA-O 3.26Å; A189-C198 WeakPolarHBondContact CA-O 3.34Å; A190-C198 HydrophobicContact CB-CB 4.16Å; A190-C198 PolarHBondContact N-O 3.25Å; A190-C198 WeakPolarHBondContact O-CB 3.13Å; A190-C198 PolarHBondContact O-N 3.01Å; C198-I293 VanDerWaalsContact CA-O 3.25Å; C198-I293 WeakPolarHBondContact CA-O 3.47Å |
| 199 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -141.3 | 169.7 | -180 | -67.2 | 0 | 0 | 0 | 0 | 109.5 | A189 L197 L231 I292 I293 R294 | A189-V199 HydrophobicContact CB-CG1 3.82Å; L197-V199 HydrophobicContact CD1-CG1 3.98Å; L197-V199 HydrophobicContact CD2-CG1 4.31Å; L197-V199 HydrophobicContact CG-CG1 3.98Å; V199-L231 HydrophobicContact CG1-CD2 3.79Å; V199-I292 HydrophobicContact CG2-CG2 4.23Å; V199-I293 PolarHBondContact N-O 3.45Å; V199-I293 VanDerWaalsContact N-O 3.11Å; V199-R294 HydrophobicContact CG2-CB 4.16Å; V199-R294 VanDerWaalsContact O-CA 3.24Å; V199-R294 WeakPolarHBondContact O-CA 3.48Å | ||
| 200 | H | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -77.9 | -62.7 | 174.9 | -173.2 | 59.5 | 0 | 0 | 0 | 112 | D91 L117 D119 R149 G150 N151 L232 R294 A295 H296 | D91-H200 IonicContact OD1-CE1 3.65Å; D91-H200 PolarHBondContact OD1-CE1 2.86Å; D91-H200 VanDerWaalsContact OD1-CE1 3.32Å; D91-H200 IonicContact OD1-ND1 2.91Å; L117-H200 VanDerWaalsContact O-CB 3.3Å; L117-H200 WeakPolarHBondContact O-CB 3.41Å; L117-H200 PolarHBondContact O-ND1 2.95Å; D119-H200 IonicContact OD1-CD2 3.97Å; D119-H200 IonicContact OD1-CE1 3.9Å; D119-H200 IonicContact OD1-NE2 3.61Å; D119-H200 PolarHBondContact OD1-NE2 3.13Å; D119-H200 IonicContact OD2-CE1 2.72Å; D119-H200 PolarHBondContact OD2-CE1 3.06Å; D119-H200 IonicContact OD2-NE2 3.23Å; D119-H200 PolarHBondContact OD2-NE2 2.72Å; R149-H200 WeakPolarHBondContact O-CB 3.45Å; G150-H200 WeakPolarHBondContact CA-CD2 3.47Å; G150-H200 VanDerWaalsContact CA-CG 3.43Å; N151-H200 PolarHBondContact N-CD2 3.34Å; N151-H200 VanDerWaalsContact N-CD2 3.3Å; N151-H200 PolarHBondContact OD1-CD2 3.33Å; N151-H200 VanDerWaalsContact OD1-CD2 3.27Å; N151-H200 PolarHBondContact OD1-NE2 3.06Å; H200-L232 HydrophobicContact CB-CD2 4.38Å; H200-L232 PolarHBondContact CD2-O 2.75Å; H200-R294 PolarHBondContact O-NE 2.85Å; H200-A295 CarbonylContact O-C 3.6Å; H200-A295 PolarHBondContact O-N 3.23Å; H200-H296 AromaticContact NE2-CG 3.93Å; H200-H296 AromaticContact NE2-ND1 3.6Å |
| 201 | G | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.8 | -89.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L231 S234 R294 | G201-L231 VanDerWaalsContact CA-O 3.32Å; G201-L231 WeakPolarHBondContact CA-O 3.49Å; G201-L231 PolarHBondContact N-O 3.09Å; G201-S234 CarbonylContact C-O 3.51Å; G201-S234 WeakPolarHBondContact CA-O 3.41Å; G201-R294 VanDerWaalsContact O-CB 3.32Å; G201-R294 WeakPolarHBondContact O-CB 3.44Å; G201-R294 WeakPolarHBondContact O-CG 3.42Å; G201-R294 PolarHBondContact O-NE 3.37Å; G201-R294 PolarHBondContact O-NH2 3.45Å; G201-R294 VanDerWaalsContact O-NH2 3.13Å |
| 202 | G | 95.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | trans | -178.3 | -139.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L231 S234 | G202-L231 PolarHBondContact N-O 3.1Å; G202-S234 WeakPolarHBondContact CA-OG 3.27Å; G202-S234 PolarHBondContact N-O 2.66Å; G202-S234 PolarHBondContact N-OG 3.37Å | ||
| 203 | L | 95.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -90.7 | 156 | -174.7 | -66.3 | -179.8 | 0 | 0 | 0 | 112.7 | L197 S234 F249 C280 F283 I292 | L197-L203 HydrophobicContact CD2-CD2 4.37Å; L203-S234 PolarHBondContact N-OG 2.72Å; L203-S234 WeakPolarHBondContact O-CB 3.2Å; L203-S234 PolarHBondContact O-OG 2.96Å; L203-F249 HydrophobicContact CB-CE1 4.09Å; L203-F249 HydrophobicContact CB-CZ 4.46Å; L203-C280 HydrophobicContact CD1-CB 4.46Å; L203-F283 HydrophobicContact CD1-CB 3.89Å; L203-F283 HydrophobicContact CD1-CG 4.2Å; L203-F283 HydrophobicContact CD2-CB 4.4Å; L203-F283 HydrophobicContact CD2-CD1 3.84Å; L203-F283 HydrophobicContact CD2-CD2 4Å; L203-F283 HydrophobicContact CD2-CE1 4.1Å; L203-F283 HydrophobicContact CD2-CE2 4.24Å; L203-F283 HydrophobicContact CD2-CG 3.79Å; L203-F283 HydrophobicContact CD2-CZ 4.29Å; L203-I292 HydrophobicContact CD1-CD1 3.72Å; L203-I292 HydrophobicContact CD2-CD1 3.61Å; L203-I292 HydrophobicContact CG-CD1 3.69Å | ||
| 204 | S | 94.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -115.5 | 144.3 | 172 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | E206 I207 D230 | S204-E206 PolarHBondContact O-N 2.76Å; S204-E206 PolarHBondContact OG-N 3.02Å; S204-I207 PolarHBondContact O-N 2.87Å; S204-I207 VanDerWaalsContact O-N 3.16Å; S204-D230 VanDerWaalsContact CB-OD2 3.29Å; S204-D230 WeakPolarHBondContact CB-OD2 3.33Å; S204-D230 PolarHBondContact OG-OD2 2.98Å | ||
| 205 | P | 92.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 24% | 0.24 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16.7 | 166.6 | 26.9 | -34.9 | 0 | 0 | 0 | 113.3 | H208 F249 F273 | P205-H208 PolarHBondContact O-CE1 3.23Å; P205-H208 PolarHBondContact O-NE2 2.86Å; P205-F249 HydrophobicContact CB-CD1 4.44Å; P205-F249 HydrophobicContact CB-CD2 3.82Å; P205-F249 HydrophobicContact CB-CE2 4.01Å; P205-F249 HydrophobicContact CB-CG 4.06Å; P205-F249 HydrophobicContact CB-CZ 4.38Å; P205-F273 HydrophobicContact CG-CD1 4.5Å; P205-F273 HydrophobicContact CG-CD2 3.93Å; P205-F273 HydrophobicContact CG-CE1 4.19Å; P205-F273 HydrophobicContact CG-CE2 3.6Å; P205-F273 HydrophobicContact CG-CG 4.36Å; P205-F273 HydrophobicContact CG-CZ 3.74Å |
| 206 | E | 94.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 35.5 Ų | 35.5 | 53% | 0.533 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.3 | 178.2 | -61.3 | -176.9 | -119.9 | 0 | 0 | 113.3 | S204 G226 P227 | S204-E206 PolarHBondContact O-N 2.76Å; S204-E206 PolarHBondContact OG-N 3.02Å; E206-G226 WeakPolarHBondContact OE1-CA 3.49Å; E206-P227 HydrophobicContact CB-CB 4.25Å; E206-P227 HydrophobicContact CB-CG 4.47Å |
| 207 | I | 96.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -115.5 | 101 | 179.9 | -62.7 | 171.1 | 0 | 0 | 0 | 108.8 | S204 D212 I213 L216 P227 L231 F283 | S204-I207 PolarHBondContact O-N 2.87Å; S204-I207 VanDerWaalsContact O-N 3.16Å; I207-D212 HydrophobicContact CG2-CB 4.3Å; I207-I213 HydrophobicContact CD1-CG1 4.23Å; I207-I213 HydrophobicContact CG2-CD1 4.13Å; I207-I213 HydrophobicContact CG2-CG1 3.61Å; I207-L216 HydrophobicContact CD1-CD1 4.49Å; I207-P227 HydrophobicContact CD1-CB 3.74Å; I207-P227 HydrophobicContact CG1-CB 3.7Å; I207-L231 HydrophobicContact CD1-CD1 3.7Å; I207-L231 HydrophobicContact CD1-CD2 3.76Å; I207-L231 HydrophobicContact CD1-CG 3.52Å; I207-F283 HydrophobicContact CG2-CE2 4.06Å | ||
| 208 | H | 96.2 | Very high | 97.1 | Very high | 118 Ų | 118 | 40.5 Ų | 40.5 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | trans | -99.5 | -30.2 | 178.6 | -56.3 | -58.5 | 0 | 0 | 0 | 112 | P205 D212 N287 | P205-H208 PolarHBondContact O-CE1 3.23Å; P205-H208 PolarHBondContact O-NE2 2.86Å; H208-D212 PolarHBondContact N-OD2 3.39Å; H208-N287 PolarHBondContact O-ND2 2.81Å | ||
| 209 | T | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -125.7 | 158.4 | -178.3 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | D211 D212 N287 | T209-D211 PolarHBondContact O-N 3.25Å; T209-D211 PolarHBondContact OG1-N 2.92Å; T209-D212 PolarHBondContact N-OD2 3.46Å; T209-D212 WeakPolarHBondContact O-CB 3.36Å; T209-D212 PolarHBondContact O-N 3.32Å; T209-D212 PolarHBondContact OG1-N 3.04Å; T209-D212 PolarHBondContact OG1-OD1 2.92Å; T209-D212 PolarHBondContact OG1-OD2 3.42Å; T209-N287 WeakPolarHBondContact CA-OD1 3.44Å |
| 210 | L | 98.3 | Very high | 97 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -27.9 | 170.2 | -65.7 | -179.6 | 0 | 0 | 0 | 113 | M79 L191 L197 D212 I213 K214 F283 N287 L289 | M79-L210 HydrophobicContact CE-CB 4.14Å; M79-L210 HydrophobicContact CE-CD1 4.47Å; M79-L210 HydrophobicContact SD-CB 4.21Å; M79-L210 HydrophobicContact SD-CD2 3.91Å; L191-L210 HydrophobicContact CD1-CD1 4.11Å; L191-L210 HydrophobicContact CD2-CD1 3.98Å; L197-L210 HydrophobicContact CD1-CD2 4.12Å; L210-D212 VanDerWaalsContact C-N 3.27Å; L210-D212 PolarHBondContact O-N 2.64Å; L210-I213 HydrophobicContact CD2-CD1 4.45Å; L210-I213 PolarHBondContact O-N 3.49Å; L210-K214 WeakPolarHBondContact O-CG 3.45Å; L210-K214 PolarHBondContact O-N 3.07Å; L210-F283 HydrophobicContact CD2-CZ 4.22Å; L210-N287 HydrophobicContact CG-CB 4.24Å; L210-N287 PolarHBondContact N-OD1 2.94Å; L210-L289 HydrophobicContact CD1-CD2 4.49Å; L210-L289 HydrophobicContact CD2-CD1 4.2Å |
| 211 | D | 98.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.8 | -23.1 | 177.6 | -75.5 | -16 | 0 | 0 | 0 | 112.7 | T209 K214 K215 | T209-D211 PolarHBondContact O-N 3.25Å; T209-D211 PolarHBondContact OG1-N 2.92Å; D211-K214 PolarHBondContact O-N 3.18Å; D211-K214 WeakPolarHBondContact OD1-CD 3.37Å; D211-K214 WeakPolarHBondContact OD1-CE 3.32Å; D211-K214 IonicContact OD1-NZ 3.25Å; D211-K214 PolarHBondContact OD1-NZ 2.81Å; D211-K215 WeakPolarHBondContact O-CD 3.32Å; D211-K215 WeakPolarHBondContact O-CE 3.23Å; D211-K215 VanDerWaalsContact O-CG 3.23Å; D211-K215 WeakPolarHBondContact O-CG 3.15Å; D211-K215 PolarHBondContact O-N 3.17Å |
| 212 | D | 98.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | 175.8 | -57.4 | -38.7 | 0 | 0 | 0 | 110.6 | I207 H208 T209 L210 K215 | I207-D212 HydrophobicContact CG2-CB 4.3Å; H208-D212 PolarHBondContact N-OD2 3.39Å; T209-D212 PolarHBondContact N-OD2 3.46Å; T209-D212 WeakPolarHBondContact O-CB 3.36Å; T209-D212 PolarHBondContact O-N 3.32Å; T209-D212 PolarHBondContact OG1-N 3.04Å; T209-D212 PolarHBondContact OG1-OD1 2.92Å; T209-D212 PolarHBondContact OG1-OD2 3.42Å; L210-D212 VanDerWaalsContact C-N 3.27Å; L210-D212 PolarHBondContact O-N 2.64Å; D212-K215 PolarHBondContact O-N 2.8Å; D212-K215 IonicContact OD1-NZ 3.4Å; D212-K215 PolarHBondContact OD1-NZ 2.8Å |
| 213 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 172.5 | -54.1 | 177.3 | 0 | 0 | 0 | 110.8 | T78 M79 A189 L197 I207 L210 K215 L216 L231 | T78-I213 WeakPolarHBondContact CG2-O 3.31Å; M79-I213 HydrophobicContact CB-CG2 4.12Å; M79-I213 HydrophobicContact SD-CD1 4.48Å; A189-I213 HydrophobicContact CB-CD1 4.44Å; A189-I213 HydrophobicContact CB-CG2 3.86Å; L197-I213 HydrophobicContact CD1-CD1 3.89Å; L197-I213 HydrophobicContact CD2-CD1 4.16Å; I207-I213 HydrophobicContact CD1-CG1 4.23Å; I207-I213 HydrophobicContact CG2-CD1 4.13Å; I207-I213 HydrophobicContact CG2-CG1 3.61Å; L210-I213 HydrophobicContact CD2-CD1 4.45Å; L210-I213 PolarHBondContact O-N 3.49Å; I213-K215 PolarHBondContact O-N 3.45Å; I213-L216 WeakPolarHBondContact O-CB 3.39Å; I213-L216 PolarHBondContact O-N 2.96Å; I213-L231 HydrophobicContact CD1-CD2 4.31Å; I213-L231 HydrophobicContact CG1-CD1 4.48Å; I213-L231 HydrophobicContact CG2-CD1 4.15Å |
| 214 | K | 98.2 | Very high | 96.4 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -28 | -178.1 | -66.8 | 173.7 | -161.5 | 161.2 | 0 | 113 | M79 L210 D211 | M79-K214 HydrophobicContact CB-CG 4.21Å; M79-K214 HydrophobicContact CE-CD 4.3Å; M79-K214 HydrophobicContact CE-CG 4.15Å; L210-K214 WeakPolarHBondContact O-CG 3.45Å; L210-K214 PolarHBondContact O-N 3.07Å; D211-K214 PolarHBondContact O-N 3.18Å; D211-K214 WeakPolarHBondContact OD1-CD 3.37Å; D211-K214 WeakPolarHBondContact OD1-CE 3.32Å; D211-K214 IonicContact OD1-NZ 3.25Å; D211-K214 PolarHBondContact OD1-NZ 2.81Å |
| 215 | K | 97.9 | Very high | 96.1 | Very high | 150 Ų | 150 | 64.9 Ų | 64.9 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.6 | -178.8 | -68.1 | 164 | -161.5 | 157.6 | 0 | 113.6 | D211 D212 I213 D217 | D211-K215 WeakPolarHBondContact O-CD 3.32Å; D211-K215 WeakPolarHBondContact O-CE 3.23Å; D211-K215 VanDerWaalsContact O-CG 3.23Å; D211-K215 WeakPolarHBondContact O-CG 3.15Å; D211-K215 PolarHBondContact O-N 3.17Å; D212-K215 PolarHBondContact O-N 2.8Å; D212-K215 IonicContact OD1-NZ 3.4Å; D212-K215 PolarHBondContact OD1-NZ 2.8Å; I213-K215 PolarHBondContact O-N 3.45Å; K215-D217 PolarHBondContact O-N 3.27Å |
| 216 | L | 98 | Very high | 96.1 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | trans | -66.9 | 131 | -178.6 | -62.2 | 178.4 | 0 | 0 | 0 | 111.4 | T78 L188 I207 I213 R218 P227 L231 | T78-L216 HydrophobicContact CG2-CB 4.31Å; T78-L216 PolarHBondContact OG1-O 3.35Å; L188-L216 HydrophobicContact CD1-CB 4.33Å; L188-L216 HydrophobicContact CD1-CD1 4.06Å; I207-L216 HydrophobicContact CD1-CD1 4.49Å; I213-L216 WeakPolarHBondContact O-CB 3.39Å; I213-L216 PolarHBondContact O-N 2.96Å; L216-R218 PolarHBondContact O-N 3.49Å; L216-P227 HydrophobicContact CD1-CB 4.3Å; L216-P227 HydrophobicContact CD2-CB 3.94Å; L216-P227 HydrophobicContact CD2-CG 3.58Å; L216-L231 HydrophobicContact CD1-CD1 3.61Å | ||
| 217 | D | 98 | Very high | 96.1 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | trans | -78.8 | 100.7 | 166.3 | 177.3 | 22.3 | 0 | 0 | 0 | 109.6 | K215 F219 R220 | K215-D217 PolarHBondContact O-N 3.27Å; D217-F219 PolarHBondContact OD1-N 3.19Å; D217-R220 WeakPolarHBondContact O-CD 3.34Å | ||
| 218 | R | 98.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 2% | 0.023 | 30% | 0.296 | C | S | . | . | trans | -86.7 | -14.4 | -176 | 76.6 | -178.8 | -169.3 | -92.3 | 2.1 | 114.5 | L73 E76 K77 T78 R149 D184 A185 L186 L188 L216 R220 | L73-R218 PolarHBondContact O-NH2 2.96Å; E76-R218 PolarHBondContact O-NH1 3Å; E76-R218 VanDerWaalsContact O-NH1 3.08Å; E76-R218 PolarHBondContact O-NH2 3.22Å; K77-R218 VanDerWaalsContact C-NH1 3.29Å; T78-R218 HydrophobicContact CG2-CB 4.24Å; T78-R218 PolarHBondContact OG1-NH1 3.01Å; R149-R218 PolarHBondContact NH1-O 3.31Å; D184-R218 VanDerWaalsContact O-O 3.11Å; A185-R218 PolarHBondContact O-NE 2.9Å; A185-R218 VanDerWaalsContact O-NE 3.12Å; A185-R218 PolarHBondContact O-NH2 3.23Å; L186-R218 VanDerWaalsContact O-CD 3.3Å; L186-R218 WeakPolarHBondContact O-CD 3.46Å; L186-R218 PolarHBondContact O-NE 3.29Å; L188-R218 HydrophobicContact CD1-CB 3.8Å; L188-R218 HydrophobicContact CD2-CB 4.2Å; L188-R218 HydrophobicContact CG-CB 3.83Å; L216-R218 PolarHBondContact O-N 3.49Å; R218-R220 PolarHBondContact O-N 2.71Å | ||
| 219 | F | 98.4 | Very high | 96 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -79.6 | 55.6 | -169 | -64 | -71.9 | 0 | 0 | 0 | 113.1 | K74 D184 A185 D217 | K74-F219 HydrophobicContact CB-CE1 4.4Å; K74-F219 HydrophobicContact CG-CE1 3.99Å; D184-F219 WeakPolarHBondContact O-CA 3.39Å; A185-F219 HydrophobicContact CB-CD1 4.38Å; A185-F219 HydrophobicContact CB-CE1 4.12Å; D217-F219 PolarHBondContact OD1-N 3.19Å |
| 220 | R | 98 | Very high | 95.9 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -161.4 | 165.1 | -171.4 | 55.6 | -176.6 | -70.7 | 170.4 | -3.8 | 110.4 | R149 D184 D217 R218 M228 | R149-R220 PolarHBondContact NH1-O 3.08Å; D184-R220 VanDerWaalsContact OD1-C 3.25Å; D217-R220 WeakPolarHBondContact O-CD 3.34Å; R218-R220 PolarHBondContact O-N 2.71Å; R220-M228 HydrophobicContact CG-CE 4.49Å; R220-M228 HydrophobicContact CG-SD 4.11Å |
| 221 | E | 97 | Very high | 95.8 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 134.8 | 163.5 | -170.7 | 70.6 | -173.9 | 0 | 0 | 109.7 | C154 R155 H156 | C154-E221 VanDerWaalsContact CB-OE1 3.27Å; C154-E221 WeakPolarHBondContact CB-OE1 3.22Å; R155-E221 WeakPolarHBondContact CA-OE1 3.49Å; R155-E221 WeakPolarHBondContact CB-OE2 3.19Å; R155-E221 WeakPolarHBondContact CG-OE2 3.36Å; R155-E221 IonicContact CZ-OE2 3.98Å; R155-E221 PolarHBondContact N-OE1 3.16Å; R155-E221 PolarHBondContact N-OE2 3.4Å; R155-E221 VanDerWaalsContact N-OE2 3.11Å; R155-E221 IonicContact NH1-OE2 3.89Å; R155-E221 PolarHBondContact NH1-OE2 3.11Å; H156-E221 PolarHBondContact N-OE1 2.76Å |
| 222 | P | 95.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 128.2 | 175 | -24.3 | 35.3 | 0 | 0 | 0 | 110.1 | C154 M228 L232 | C154-P222 HydrophobicContact CB-CG 3.95Å; P222-M228 HydrophobicContact CB-CE 4.18Å; P222-M228 HydrophobicContact CG-CE 3.94Å; P222-L232 HydrophobicContact CB-CD1 4.03Å; P222-L232 HydrophobicContact CG-CD1 3.81Å |
| 223 | P | 93 | Very high | 95.6 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 22% | 0.221 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 159.3 | 175.7 | 29.5 | -34.9 | 0 | 0 | 0 | 110.7 | F225 M228 C229 | P223-F225 WeakPolarHBondContact CB-O 3.43Å; P223-F225 VanDerWaalsContact CG-O 3.27Å; P223-F225 WeakPolarHBondContact CG-O 3.36Å; P223-F225 PolarHBondContact O-N 2.88Å; P223-M228 HydrophobicContact CG-CB 4.35Å; P223-C229 WeakPolarHBondContact O-CB 3.21Å; P223-C229 PolarHBondContact O-SG 2.75Å |
| 224 | A | 87.2 | Confident | 95.3 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -69.8 | -7.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V270 M489 | A224-V270 HydrophobicContact CB-CG2 4.14Å; A224-V270 WeakPolarHBondContact O-CG1 3.35Å; A224-V270 VanDerWaalsContact O-CG2 3.32Å; A224-V270 WeakPolarHBondContact O-CG2 3.39Å; A224-M489 HydrophobicContact CB-CE 4.42Å |
| 225 | F | 88.2 | Confident | 95 | Very high | 149 Ų | 149 | 42.4 Ų | 42.4 | 65% | 0.654 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -157.9 | 165.1 | 176.9 | 59.9 | -90.6 | 0 | 0 | 0 | 110.3 | P223 | P223-F225 WeakPolarHBondContact CB-O 3.43Å; P223-F225 VanDerWaalsContact CG-O 3.27Å; P223-F225 WeakPolarHBondContact CG-O 3.36Å; P223-F225 PolarHBondContact O-N 2.88Å |
| 226 | G | 91.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 99.5 | -178.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | E206 M228 C229 D230 | E206-G226 WeakPolarHBondContact OE1-CA 3.49Å; G226-M228 VanDerWaalsContact C-N 3.31Å; G226-M228 PolarHBondContact O-N 2.94Å; G226-M228 VanDerWaalsContact O-N 3.14Å; G226-C229 WeakPolarHBondContact O-CA 3.22Å; G226-C229 VanDerWaalsContact O-CB 3.23Å; G226-C229 WeakPolarHBondContact O-CB 3.47Å; G226-C229 PolarHBondContact O-N 3.06Å; G226-D230 PolarHBondContact O-N 3.36Å |
| 227 | P | 95.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 35 Ų | 35 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -35.1 | -164.4 | 20.9 | -34.1 | 0 | 0 | 0 | 114.3 | E206 I207 L216 L231 | E206-P227 HydrophobicContact CB-CB 4.25Å; E206-P227 HydrophobicContact CB-CG 4.47Å; I207-P227 HydrophobicContact CD1-CB 3.74Å; I207-P227 HydrophobicContact CG1-CB 3.7Å; L216-P227 HydrophobicContact CD1-CB 4.3Å; L216-P227 HydrophobicContact CD2-CB 3.94Å; L216-P227 HydrophobicContact CD2-CG 3.58Å; P227-L231 VanDerWaalsContact O-CG 3.31Å; P227-L231 WeakPolarHBondContact O-CG 3.41Å; P227-L231 PolarHBondContact O-N 2.64Å; P227-L231 VanDerWaalsContact O-N 3.13Å |
| 228 | M | 96.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -36.9 | 174.9 | 179.2 | 179.5 | -179.9 | 0 | 0 | 112.2 | R149 L188 R220 P222 P223 G226 L232 | R149-M228 VanDerWaalsContact NH1-CE 3.25Å; L188-M228 HydrophobicContact CD1-CB 4.45Å; L188-M228 HydrophobicContact CD1-CG 3.92Å; L188-M228 HydrophobicContact CD2-CE 4.1Å; L188-M228 HydrophobicContact CD2-CG 4.45Å; R220-M228 HydrophobicContact CG-CE 4.49Å; R220-M228 HydrophobicContact CG-SD 4.11Å; P222-M228 HydrophobicContact CB-CE 4.18Å; P222-M228 HydrophobicContact CG-CE 3.94Å; P223-M228 HydrophobicContact CG-CB 4.35Å; G226-M228 VanDerWaalsContact C-N 3.31Å; G226-M228 PolarHBondContact O-N 2.94Å; G226-M228 VanDerWaalsContact O-N 3.14Å; M228-L232 WeakPolarHBondContact O-CG 3.45Å |
| 229 | C | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -53 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | P223 G226 L231 L232 W233 | P223-C229 WeakPolarHBondContact O-CB 3.21Å; P223-C229 PolarHBondContact O-SG 2.75Å; G226-C229 WeakPolarHBondContact O-CA 3.22Å; G226-C229 VanDerWaalsContact O-CB 3.23Å; G226-C229 WeakPolarHBondContact O-CB 3.47Å; G226-C229 PolarHBondContact O-N 3.06Å; C229-L231 PolarHBondContact O-N 3.49Å; C229-L232 WeakPolarHBondContact O-CA 3.48Å; C229-L232 PolarHBondContact O-N 3.05Å; C229-W233 VanDerWaalsContact O-CB 3.32Å; C229-W233 WeakPolarHBondContact O-CB 3.5Å; C229-W233 PolarHBondContact O-N 2.92Å |
| 230 | D | 94.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | -175.3 | -58.3 | -20.2 | 0 | 0 | 0 | 112.8 | S204 G226 L232 W233 S234 | S204-D230 VanDerWaalsContact CB-OD2 3.29Å; S204-D230 WeakPolarHBondContact CB-OD2 3.33Å; S204-D230 PolarHBondContact OG-OD2 2.98Å; G226-D230 PolarHBondContact O-N 3.36Å; D230-L232 PolarHBondContact O-N 2.93Å; D230-L232 VanDerWaalsContact O-N 3.11Å; D230-W233 PolarHBondContact O-N 2.87Å; D230-W233 VanDerWaalsContact O-N 3.11Å; D230-S234 VanDerWaalsContact O-CB 3.28Å; D230-S234 WeakPolarHBondContact O-CB 3.18Å; D230-S234 PolarHBondContact O-N 3.06Å; D230-S234 PolarHBondContact O-OG 3.36Å; D230-S234 VanDerWaalsContact O-OG 3.06Å |
| 231 | L | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -30.2 | 175.3 | -78.1 | 172.9 | 0 | 0 | 0 | 113.3 | L188 V199 G201 G202 I207 I213 L216 P227 C229 | L188-L231 HydrophobicContact CB-CD1 4.29Å; L188-L231 HydrophobicContact CD1-CD1 4.41Å; V199-L231 HydrophobicContact CG1-CD2 3.79Å; G201-L231 VanDerWaalsContact CA-O 3.32Å; G201-L231 WeakPolarHBondContact CA-O 3.49Å; G201-L231 PolarHBondContact N-O 3.09Å; G202-L231 PolarHBondContact N-O 3.1Å; I207-L231 HydrophobicContact CD1-CD1 3.7Å; I207-L231 HydrophobicContact CD1-CD2 3.76Å; I207-L231 HydrophobicContact CD1-CG 3.52Å; I213-L231 HydrophobicContact CD1-CD2 4.31Å; I213-L231 HydrophobicContact CG1-CD1 4.48Å; I213-L231 HydrophobicContact CG2-CD1 4.15Å; L216-L231 HydrophobicContact CD1-CD1 3.61Å; P227-L231 VanDerWaalsContact O-CG 3.31Å; P227-L231 WeakPolarHBondContact O-CG 3.41Å; P227-L231 PolarHBondContact O-N 2.64Å; P227-L231 VanDerWaalsContact O-N 3.13Å; C229-L231 PolarHBondContact O-N 3.49Å |
| 232 | L | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -94.6 | -19 | -178.2 | -56.9 | 179.3 | 0 | 0 | 0 | 112.9 | R149 N151 L188 H200 P222 M228 C229 D230 | R149-L232 HydrophobicContact CB-CD2 4.17Å; R149-L232 WeakPolarHBondContact O-CD2 2.88Å; N151-L232 HydrophobicContact CB-CB 4.23Å; L188-L232 HydrophobicContact CD2-CD2 4.38Å; H200-L232 HydrophobicContact CB-CD2 4.38Å; H200-L232 PolarHBondContact CD2-O 2.75Å; P222-L232 HydrophobicContact CB-CD1 4.03Å; P222-L232 HydrophobicContact CG-CD1 3.81Å; M228-L232 WeakPolarHBondContact O-CG 3.45Å; C229-L232 WeakPolarHBondContact O-CA 3.48Å; C229-L232 PolarHBondContact O-N 3.05Å; D230-L232 PolarHBondContact O-N 2.93Å; D230-L232 VanDerWaalsContact O-N 3.11Å |
| 233 | W | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -132.1 | -16.5 | -162.2 | -86.5 | 105.2 | 0 | 0 | 0 | 115.5 | N151 L157 C229 D230 L272 M489 | N151-W233 HydrophobicContact CB-CD2 3.87Å; N151-W233 VanDerWaalsContact CB-CE2 3.47Å; N151-W233 HydrophobicContact CB-CE3 4.45Å; N151-W233 HydrophobicContact CB-CG 4.21Å; N151-W233 HydrophobicContact CB-CH2 4.37Å; N151-W233 HydrophobicContact CB-CZ2 3.75Å; N151-W233 VanDerWaalsContact ND2-CH2 3.28Å; N151-W233 WeakPolarHBondContact ND2-CH2 3.36Å; N151-W233 WeakPolarHBondContact ND2-CZ3 3.27Å; L157-W233 HydrophobicContact CD1-CH2 4.1Å; L157-W233 HydrophobicContact CD1-CZ2 3.66Å; L157-W233 HydrophobicContact CD2-CH2 3.78Å; L157-W233 HydrophobicContact CD2-CZ2 3.71Å; L157-W233 HydrophobicContact CG-CH2 4.49Å; L157-W233 HydrophobicContact CG-CZ2 4.33Å; C229-W233 VanDerWaalsContact O-CB 3.32Å; C229-W233 WeakPolarHBondContact O-CB 3.5Å; C229-W233 PolarHBondContact O-N 2.92Å; D230-W233 PolarHBondContact O-N 2.87Å; D230-W233 VanDerWaalsContact O-N 3.11Å; W233-L272 HydrophobicContact CB-CD2 3.47Å; W233-L272 VanDerWaalsContact CB-CD2 3.47Å; W233-L272 HydrophobicContact CD2-CD2 3.71Å; W233-L272 HydrophobicContact CE3-CD1 4.31Å; W233-L272 HydrophobicContact CE3-CD2 3.61Å; W233-L272 HydrophobicContact CG-CD2 3.71Å; W233-M489 HydrophobicContact CH2-CB 3.68Å; W233-M489 HydrophobicContact CH2-CG 3.98Å; W233-M489 HydrophobicContact CZ2-CB 3.88Å; W233-M489 HydrophobicContact CZ2-CG 3.74Å; W233-M489 HydrophobicContact CZ2-SD 3.93Å; W233-M489 HydrophobicContact CZ3-CB 4.12Å |
| 234 | S | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | trans | -72.1 | 145.4 | -178.2 | 71.5 | 0 | 0 | 0 | 0 | 110.8 | G201 G202 L203 D230 F273 R294 | G201-S234 CarbonylContact C-O 3.51Å; G201-S234 WeakPolarHBondContact CA-O 3.41Å; G202-S234 WeakPolarHBondContact CA-OG 3.27Å; G202-S234 PolarHBondContact N-O 2.66Å; G202-S234 PolarHBondContact N-OG 3.37Å; L203-S234 PolarHBondContact N-OG 2.72Å; L203-S234 WeakPolarHBondContact O-CB 3.2Å; L203-S234 PolarHBondContact O-OG 2.96Å; D230-S234 VanDerWaalsContact O-CB 3.28Å; D230-S234 WeakPolarHBondContact O-CB 3.18Å; D230-S234 PolarHBondContact O-N 3.06Å; D230-S234 PolarHBondContact O-OG 3.36Å; D230-S234 VanDerWaalsContact O-OG 3.06Å; S234-F273 WeakPolarHBondContact CA-O 3.24Å; S234-F273 VanDerWaalsContact CB-O 3.3Å; S234-F273 WeakPolarHBondContact CB-O 3.49Å; S234-R294 PolarHBondContact O-NH2 2.75Å; S234-R294 VanDerWaalsContact O-NH2 3.1Å | ||
| 235 | D | 92.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 160.3 | 177.6 | -75.6 | -42.6 | 0 | 0 | 0 | 111.1 | F273 F274 S275 R294 H296 E297 | D235-F273 PolarHBondContact N-O 3.35Å; D235-F274 HydrophobicContact CB-CD1 3.58Å; D235-F274 HydrophobicContact CB-CE1 3.61Å; D235-F274 CarbonylContact O-C 3.56Å; D235-F274 WeakPolarHBondContact O-CA 3.43Å; D235-S275 PolarHBondContact O-N 2.98Å; D235-S275 PolarHBondContact O-OG 2.7Å; D235-R294 IonicContact OD1-CZ 3.61Å; D235-R294 IonicContact OD1-NH1 2.81Å; D235-R294 IonicContact OD1-NH2 3.61Å; D235-R294 PolarHBondContact OD1-NH2 2.8Å; D235-H296 IonicContact OD1-CD2 3.93Å; D235-H296 PolarHBondContact OD1-CD2 2.79Å; D235-H296 VanDerWaalsContact OD1-CD2 3.23Å; D235-H296 IonicContact OD1-NE2 2.72Å; D235-E297 WeakPolarHBondContact OD1-CG 3.32Å |
| 236 | P | 93.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 150 | 159.6 | 28.3 | -30.6 | 0 | 0 | 0 | 111 | F240 F274 E297 Y306 L317 | P236-F240 HydrophobicContact CB-CB 4.18Å; P236-F240 HydrophobicContact CB-CD2 3.64Å; P236-F240 HydrophobicContact CB-CE2 4.24Å; P236-F240 HydrophobicContact CB-CG 4.09Å; P236-F274 VanDerWaalsContact O-CD1 3.31Å; P236-F274 WeakPolarHBondContact O-CD1 3.24Å; P236-E297 WeakPolarHBondContact CD-OE2 3.41Å; P236-Y306 HydrophobicContact CB-CD1 4.5Å; P236-Y306 HydrophobicContact CB-CE1 3.9Å; P236-Y306 HydrophobicContact CG-CE1 3.68Å; P236-Y306 HydrophobicContact CG-CE2 4.41Å; P236-Y306 VanDerWaalsContact CG-OH 3.27Å; P236-Y306 WeakPolarHBondContact CG-OH 3.13Å; P236-L317 HydrophobicContact CB-CD2 3.56Å; P236-L317 HydrophobicContact CG-CD2 3.76Å |
| 237 | L | 90.1 | Very high | 90.7 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | trans | -52.5 | 147 | 168.9 | -80.8 | 171.4 | 0 | 0 | 0 | 112.3 | D239 F240 E243 C250 F274 S275 | L237-D239 PolarHBondContact O-N 2.9Å; L237-F240 HydrophobicContact CB-CB 4.35Å; L237-F240 WeakPolarHBondContact O-CB 3.15Å; L237-F240 PolarHBondContact O-N 3.48Å; L237-E243 HydrophobicContact CD1-CG 3.48Å; L237-E243 VanDerWaalsContact CD1-CG 3.48Å; L237-C250 WeakPolarHBondContact CD2-SG 3.04Å; L237-F274 HydrophobicContact CD2-CB 3.52Å; L237-F274 HydrophobicContact CD2-CD2 4.32Å; L237-F274 HydrophobicContact CD2-CG 4.06Å; L237-F274 HydrophobicContact CG-CB 3.8Å; L237-S275 PolarHBondContact N-O 2.94Å; L237-S275 VanDerWaalsContact N-O 3.07Å | ||
| 238 | E | 86.9 | Confident | 90.1 | Very high | 184 Ų | 184 | 53.7 Ų | 53.7 | 86% | 0.86 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.5 | 176.6 | -172.9 | 177.8 | 179.4 | 0 | 0 | 111.5 | ||
| 239 | D | 89.4 | Confident | 89.6 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 22.9 | 175.5 | 67.1 | -20.3 | 0 | 0 | 0 | 113.7 | L237 G241 N242 | L237-D239 PolarHBondContact O-N 2.9Å; D239-G241 PolarHBondContact O-N 3.11Å; D239-N242 CarbonylContact O-C 3.58Å; D239-N242 WeakPolarHBondContact O-CA 2.89Å; D239-N242 PolarHBondContact O-N 3.46Å |
| 240 | F | 92.3 | Very high | 88.9 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 121.2 | -178.2 | -176.6 | -81.9 | 0 | 0 | 0 | 113 | P236 L237 E243 S275 S276 Y277 C280 Y306 L317 | P236-F240 HydrophobicContact CB-CB 4.18Å; P236-F240 HydrophobicContact CB-CD2 3.64Å; P236-F240 HydrophobicContact CB-CE2 4.24Å; P236-F240 HydrophobicContact CB-CG 4.09Å; L237-F240 HydrophobicContact CB-CB 4.35Å; L237-F240 WeakPolarHBondContact O-CB 3.15Å; L237-F240 PolarHBondContact O-N 3.48Å; F240-E243 WeakPolarHBondContact CA-OE1 3.36Å; F240-S275 WeakPolarHBondContact CD2-O 3.29Å; F240-S276 VanDerWaalsContact CE2-C 3.47Å; F240-Y277 HydrophobicContact CD1-CD2 4.44Å; F240-Y277 AromaticContact CE1-CD2 3.71Å; F240-Y277 HydrophobicContact CE1-CD2 3.71Å; F240-Y277 HydrophobicContact CE1-CG 4.3Å; F240-Y277 VanDerWaalsContact CE2-CA 3.49Å; F240-Y277 HydrophobicContact CZ-CD2 4.08Å; F240-C280 HydrophobicContact CE2-CB 4.06Å; F240-C280 HydrophobicContact CZ-CB 3.83Å; F240-Y306 HydrophobicContact CB-CD1 4.02Å; F240-Y306 HydrophobicContact CB-CE1 4.33Å; F240-Y306 AromaticContact CD1-CD1 3.56Å; F240-Y306 HydrophobicContact CD1-CD1 3.56Å; F240-Y306 HydrophobicContact CD1-CG 4.04Å; F240-Y306 HydrophobicContact CE1-CD1 4.17Å; F240-Y306 HydrophobicContact CE1-CG 4.21Å; F240-Y306 AromaticContact CG-CD1 3.91Å; F240-Y306 HydrophobicContact CG-CD1 3.91Å; F240-L317 HydrophobicContact CE1-CB 4.36Å; F240-L317 HydrophobicContact CE2-CD2 4.24Å; F240-L317 HydrophobicContact CZ-CB 4.08Å; F240-L317 HydrophobicContact CZ-CD2 4.25Å |
| 241 | G | 92 | Very high | 87.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -7.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D239 E243 K307 | D239-G241 PolarHBondContact O-N 3.11Å; G241-E243 WeakPolarHBondContact CA-OE2 3.25Å; G241-E243 PolarHBondContact N-OE1 2.68Å; G241-E243 PolarHBondContact N-OE2 2.81Å; G241-K307 VanDerWaalsContact CA-CD 3.42Å; G241-K307 VanDerWaalsContact O-CD 3.28Å; G241-K307 WeakPolarHBondContact O-CD 3.32Å; G241-K307 PolarHBondContact O-NZ 3.33Å |
| 242 | N | 92.1 | Very high | 86 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 72% | 0.717 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -127.3 | 25.4 | 175.9 | -58 | -58.7 | 0 | 0 | 0 | 111.7 | D239 | D239-N242 CarbonylContact O-C 3.58Å; D239-N242 WeakPolarHBondContact O-CA 2.89Å; D239-N242 PolarHBondContact O-N 3.46Å |
| 243 | E | 87.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | trans | -60.3 | 144.7 | -177.3 | -56.8 | 86.7 | 165.7 | 0 | 0 | 111.6 | L237 F240 G241 Y277 | L237-E243 HydrophobicContact CD1-CG 3.48Å; L237-E243 VanDerWaalsContact CD1-CG 3.48Å; F240-E243 WeakPolarHBondContact CA-OE1 3.36Å; G241-E243 WeakPolarHBondContact CA-OE2 3.25Å; G241-E243 PolarHBondContact N-OE1 2.68Å; G241-E243 PolarHBondContact N-OE2 2.81Å; E243-Y277 WeakPolarHBondContact OE1-CB 3.44Å; E243-Y277 PolarHBondContact OE1-N 3.03Å | ||
| 244 | R | 84.2 | Confident | 81.2 | Confident | 245 Ų | 245 | 70.6 Ų | 70.6 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -89 | -29.4 | 176.7 | -61.8 | -176.9 | -176.5 | -175.5 | 2 | 113.2 | ||
| 245 | N | 79.8 | Confident | 78.6 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -101.5 | 164.8 | 175.9 | 60.3 | -1 | 0 | 0 | 0 | 110.3 | D247 | N245-D247 VanDerWaalsContact C-N 3.35Å; N245-D247 PolarHBondContact ND2-OD2 3.06Å |
| 246 | T | 78.1 | Confident | 75.7 | Confident | 130 Ų | 130 | 77.4 Ų | 77.4 | 80% | 0.798 | 41% | 0.408 | S | S | * | . | trans | -97.4 | 11.7 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | Q248 | T246-Q248 PolarHBondContact O-N 2.99Š| ||
| 247 | D | 83.9 | Confident | 73 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | trans | -66.4 | 128.8 | -178.2 | -62.2 | -36.4 | 0 | 0 | 0 | 109.2 | N245 S276 | N245-D247 VanDerWaalsContact C-N 3.35Å; N245-D247 PolarHBondContact ND2-OD2 3.06Å; D247-S276 WeakPolarHBondContact O-CB 3.08Å; D247-S276 PolarHBondContact O-OG 3.02Å | ||
| 248 | Q | 83 | Confident | 70.7 | Confident | 81 Ų | 81 | 85 Ų | 85 | 38% | 0.379 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -72.4 | -39.3 | 179.2 | -76.2 | -167.9 | -3 | 0 | 0 | 111.4 | T246 S276 A279 D282 | T246-Q248 PolarHBondContact O-N 2.99Å; Q248-S276 WeakPolarHBondContact CA-OG 3.49Å; Q248-S276 PolarHBondContact O-N 3.22Å; Q248-S276 PolarHBondContact O-OG 3.04Å; Q248-A279 HydrophobicContact CB-CB 3.8Å; Q248-A279 HydrophobicContact CG-CB 4.2Å; Q248-A279 VanDerWaalsContact O-CB 3.27Å; Q248-A279 WeakPolarHBondContact O-CB 3.32Å; Q248-D282 PolarHBondContact NE2-OD2 3.45Å |
| 249 | F | 86.1 | Confident | 68.7 | Low | 47 Ų | 47 | 83.8 Ų | 83.8 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 137.1 | -179 | -59.7 | -86.8 | 0 | 0 | 0 | 109.4 | L203 P205 F273 F274 A279 | L203-F249 HydrophobicContact CB-CE1 4.09Å; L203-F249 HydrophobicContact CB-CZ 4.46Å; P205-F249 HydrophobicContact CB-CD1 4.44Å; P205-F249 HydrophobicContact CB-CD2 3.82Å; P205-F249 HydrophobicContact CB-CE2 4.01Å; P205-F249 HydrophobicContact CB-CG 4.06Å; P205-F249 HydrophobicContact CB-CZ 4.38Å; F249-F273 HydrophobicContact CB-CD1 3.83Å; F249-F273 HydrophobicContact CB-CE1 4.39Å; F249-F273 HydrophobicContact CB-CG 4.47Å; F249-F273 HydrophobicContact CD1-CB 4.29Å; F249-F274 WeakPolarHBondContact CA-O 3.19Å; F249-A279 HydrophobicContact CE1-CB 4.43Å; F249-A279 HydrophobicContact CE2-CB 4.2Å; F249-A279 HydrophobicContact CZ-CB 4.06Å |
| 250 | C | 79 | Confident | 66.5 | Low | 40 Ų | 40 | 85.2 Ų | 85.2 | 27% | 0.27 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.7 | 168.7 | 75.1 | 0 | 0 | 0 | 0 | 110.2 | L237 F273 F274 | L237-C250 WeakPolarHBondContact CD2-SG 3.04Å; C250-F273 CarbonylContact O-C 3.49Å; C250-F273 VanDerWaalsContact O-CA 3.29Å; C250-F273 WeakPolarHBondContact O-CA 3.14Å; C250-F274 PolarHBondContact N-O 2.7Å; C250-F274 PolarHBondContact O-N 2.86Å |
| 251 | H | 71.4 | Confident | 64.2 | Low | 83 Ų | 83 | 85.7 Ų | 85.7 | 38% | 0.384 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 145.4 | 177.5 | -67.1 | -60 | 0 | 0 | 0 | 110.8 | S253 F271 L272 F273 | H251-S253 PolarHBondContact O-N 2.86Å; H251-F271 AromaticContact CE1-CD1 3.31Å; H251-F271 WeakPolarHBondContact CE1-CD1 3.44Å; H251-F271 AromaticContact CE1-CG 3.69Å; H251-F271 AromaticContact CG-CD1 3.79Å; H251-F271 WeakPolarHBondContact ND1-CB 3.07Å; H251-F271 AromaticContact ND1-CD1 3.32Å; H251-F271 VanDerWaalsContact ND1-CD1 3.32Å; H251-F271 WeakPolarHBondContact ND1-CD1 3.46Å; H251-F271 AromaticContact ND1-CG 3.75Å; H251-F271 AromaticContact NE2-CD1 3.81Å; H251-L272 CarbonylContact C-O 3.55Å; H251-F273 AromaticContact CE1-CE1 3.22Å; H251-F273 WeakPolarHBondContact CE1-CE1 3.17Å; H251-F273 AromaticContact CE1-CZ 3.43Å; H251-F273 VanDerWaalsContact CE1-CZ 3.43Å; H251-F273 WeakPolarHBondContact CE1-CZ 3.39Å; H251-F273 AromaticContact ND1-CD1 3.81Å; H251-F273 AromaticContact ND1-CE1 3.37Å; H251-F273 WeakPolarHBondContact ND1-CE1 3.49Å; H251-F273 AromaticContact ND1-CZ 3.82Å |
| 252 | N | 59.7 | Low | 61.6 | Low | 39 Ų | 39 | 92 Ų | 92 | 21% | 0.209 | 50% | 0.502 | C | S | . | . | trans | -69.6 | 60.9 | 168.3 | -66.9 | 18.3 | 0 | 0 | 0 | 110.3 | V254 L272 F274 | N252-V254 PolarHBondContact O-N 2.85Å; N252-L272 HydrophobicContact CB-CB 3.84Å; N252-L272 WeakPolarHBondContact CB-O 3.35Å; N252-L272 VanDerWaalsContact CG-CB 3.46Å; N252-L272 VanDerWaalsContact CG-O 3.28Å; N252-L272 PolarHBondContact N-O 2.88Å; N252-L272 WeakPolarHBondContact ND2-CB 3.31Å; N252-L272 PolarHBondContact OD1-O 2.83Å; N252-F274 HydrophobicContact CB-CD2 4.44Å; N252-F274 HydrophobicContact CB-CE2 3.9Å; N252-F274 HydrophobicContact CB-CZ 4.33Å; N252-F274 VanDerWaalsContact CG-CZ 3.46Å; N252-F274 WeakPolarHBondContact OD1-CD2 3.5Å; N252-F274 WeakPolarHBondContact OD1-CE2 3.34Å; N252-F274 VanDerWaalsContact OD1-CG 3.23Å; N252-F274 WeakPolarHBondContact OD1-CG 3.39Å; N252-F274 WeakPolarHBondContact OD1-CZ 3.4Å; N252-F274 PolarHBondContact OD1-N 3.27Å | ||
| 253 | S | 47.4 | Very low | 59 | Low | 98 Ų | 98 | 92.8 Ų | 92.8 | 69% | 0.685 | 50% | 0.5 | S | S | * | . | trans | -80.1 | 104.1 | 170.9 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | H251 | H251-S253 PolarHBondContact O-N 2.86Š| ||
| 254 | V | 42.2 | Very low | 56.5 | Low | 70 Ų | 70 | 96.7 Ų | 96.7 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | trans | -55.3 | 126.6 | 161.8 | -175.5 | 0 | 0 | 0 | 0 | 107 | N252 | N252-V254 PolarHBondContact O-N 2.85Š| ||
| 255 | P | 38.1 | Very low | 54.4 | Low | 87 Ų | 87 | 89.9 Ų | 89.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | trans | -54.5 | 131.5 | 176 | -24.1 | 33.3 | 0 | 0 | 0 | 109.4 | T257 | P255-T257 HydrophobicContact CB-CG2 4.07Å; P255-T257 PolarHBondContact O-N 3.15Å | ||
| 256 | P | 33.7 | Very low | 52.3 | Low | 78 Ų | 78 | 90.1 Ų | 90.1 | 51% | 0.506 | 51% | 0.514 | S | S | . | . | trans | -74.7 | 80.8 | 178.3 | 29.6 | -31.4 | 0 | 0 | 0 | 108.9 | A261 | P256-A261 HydrophobicContact CB-CB 3.87Š| ||
| 257 | T | 36.6 | Very low | 50.4 | Low | 125 Ų | 125 | 88.5 Ų | 88.5 | 77% | 0.767 | 50% | 0.5 | S | S | * | . | trans | -98.1 | 22.5 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | P255 | P255-T257 HydrophobicContact CB-CG2 4.07Å; P255-T257 PolarHBondContact O-N 3.15Å | ||
| 258 | S | 40.6 | Very low | 48.2 | Very low | 61 Ų | 61 | 93 Ų | 93 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -158.8 | 150.1 | 168.9 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | V260 A261 | S258-V260 PolarHBondContact O-N 2.71Å; S258-V260 VanDerWaalsContact OG-CG2 3.26Å; S258-V260 WeakPolarHBondContact OG-CG2 3.38Å; S258-A261 WeakPolarHBondContact O-CA 3.2Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.06Å |
| 259 | D | 44.9 | Very low | 46.4 | Very low | 158 Ų | 158 | 92 Ų | 92 | 85% | 0.845 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.1 | -21.4 | 179.7 | -68.5 | -41.4 | 0 | 0 | 0 | 112.9 | A261 H262 | D259-A261 VanDerWaalsContact C-N 3.32Å; D259-H262 PolarHBondContact O-N 2.76Å |
| 260 | V | 44.6 | Very low | 44.6 | Very low | 98 Ų | 98 | 90.8 Ų | 90.8 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -28.5 | 170.1 | -84.9 | 0 | 0 | 0 | 0 | 112.9 | S258 H262 F263 F264 | S258-V260 PolarHBondContact O-N 2.71Å; S258-V260 VanDerWaalsContact OG-CG2 3.26Å; S258-V260 WeakPolarHBondContact OG-CG2 3.38Å; V260-H262 VanDerWaalsContact C-N 3.28Å; V260-H262 PolarHBondContact O-N 2.78Å; V260-F263 PolarHBondContact O-N 3.38Å; V260-F264 WeakPolarHBondContact O-CD2 3.33Å |
| 261 | A | 42.7 | Very low | 43.2 | Very low | 19 Ų | 19 | 94.1 Ų | 94.1 | 16% | 0.157 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P256 S258 D259 F263 F264 V265 | P256-A261 HydrophobicContact CB-CB 3.87Å; S258-A261 WeakPolarHBondContact O-CA 3.2Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 3.06Å; D259-A261 VanDerWaalsContact C-N 3.32Å; A261-F263 VanDerWaalsContact C-N 3.28Å; A261-F263 PolarHBondContact O-N 3.01Å; A261-F264 PolarHBondContact O-N 2.8Å; A261-V265 WeakPolarHBondContact O-CB 3.43Å; A261-V265 WeakPolarHBondContact O-CG2 3.49Å; A261-V265 PolarHBondContact O-N 2.86Å |
| 262 | H | 38.4 | Very low | 42.9 | Very low | 137 Ų | 137 | 91.1 Ų | 91.1 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -31.4 | 176.3 | -101.7 | -121.1 | 0 | 0 | 0 | 112.9 | D259 V260 A266 | D259-H262 PolarHBondContact O-N 2.76Å; V260-H262 VanDerWaalsContact C-N 3.28Å; V260-H262 PolarHBondContact O-N 2.78Å; H262-A266 WeakPolarHBondContact O-CB 3.42Å; H262-A266 PolarHBondContact O-N 3.23Å |
| 263 | F | 36.5 | Very low | 43.3 | Very low | 150 Ų | 150 | 90.9 Ų | 90.9 | 66% | 0.658 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.3 | -36 | 176.8 | -164.6 | -100.1 | 0 | 0 | 0 | 111.9 | V260 A261 L267 | V260-F263 PolarHBondContact O-N 3.38Å; A261-F263 VanDerWaalsContact C-N 3.28Å; A261-F263 PolarHBondContact O-N 3.01Å; F263-L267 HydrophobicContact CD1-CD1 4.41Å; F263-L267 HydrophobicContact CE1-CD1 4.24Å |
| 264 | F | 35.7 | Very low | 44.6 | Very low | 123 Ų | 123 | 88.9 Ų | 88.9 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -79.2 | -33.4 | 178.4 | -69.3 | -73.1 | 0 | 0 | 0 | 113.4 | V260 A261 A266 L267 I269 | V260-F264 WeakPolarHBondContact O-CD2 3.33Å; A261-F264 PolarHBondContact O-N 2.8Å; F264-A266 VanDerWaalsContact C-N 3.25Å; F264-A266 PolarHBondContact O-N 2.6Å; F264-L267 PolarHBondContact O-N 3.19Å; F264-I269 HydrophobicContact CD1-CD1 4.35Å |
| 265 | V | 40.3 | Very low | 46.3 | Very low | 102 Ų | 102 | 85.9 Ų | 85.9 | 62% | 0.618 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.3 | -28.9 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | A261 L267 | A261-V265 WeakPolarHBondContact O-CB 3.43Å; A261-V265 WeakPolarHBondContact O-CG2 3.49Å; A261-V265 PolarHBondContact O-N 2.86Å; V265-L267 VanDerWaalsContact C-N 3.28Å; V265-L267 PolarHBondContact O-N 3.33Å |
| 266 | A | 36.4 | Very low | 48.8 | Very low | 81 Ų | 81 | 81.8 Ų | 81.8 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H262 F264 | H262-A266 WeakPolarHBondContact O-CB 3.42Å; H262-A266 PolarHBondContact O-N 3.23Å; F264-A266 VanDerWaalsContact C-N 3.25Å; F264-A266 PolarHBondContact O-N 2.6Å |
| 267 | L | 36.6 | Very low | 51.7 | Low | 96 Ų | 96 | 79.3 Ų | 79.3 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.5 | -172.5 | -84 | 163.8 | 0 | 0 | 0 | 115.3 | F263 F264 V265 I269 | F263-L267 HydrophobicContact CD1-CD1 4.41Å; F263-L267 HydrophobicContact CE1-CD1 4.24Å; F264-L267 PolarHBondContact O-N 3.19Å; V265-L267 VanDerWaalsContact C-N 3.28Å; V265-L267 PolarHBondContact O-N 3.33Å; L267-I269 HydrophobicContact CB-CD1 3.77Å; L267-I269 HydrophobicContact CB-CG1 3.68Å; L267-I269 HydrophobicContact CD1-CD1 4.37Å; L267-I269 PolarHBondContact O-N 3.4Å |
| 268 | K | 37.5 | Very low | 54.4 | Low | 181 Ų | 181 | 75.5 Ų | 75.5 | 79% | 0.787 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 42.8 | -176.6 | -70 | -178.6 | 173.9 | 178.4 | 0 | 111.8 | V270 | K268-V270 PolarHBondContact O-N 3.48Š|
| 269 | I | 45.9 | Very low | 57 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | trans | -82.5 | 79.5 | 177 | -54.1 | 176.6 | 0 | 0 | 0 | 107.3 | F264 L267 | F264-I269 HydrophobicContact CD1-CD1 4.35Å; L267-I269 HydrophobicContact CB-CD1 3.77Å; L267-I269 HydrophobicContact CB-CG1 3.68Å; L267-I269 HydrophobicContact CD1-CD1 4.37Å; L267-I269 PolarHBondContact O-N 3.4Å | ||
| 270 | V | 49 | Very low | 59.4 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | trans | 56.7 | 112.3 | 153.4 | -177.8 | 0 | 0 | 0 | 0 | 118.3 | A224 K268 L272 M489 | A224-V270 HydrophobicContact CB-CG2 4.14Å; A224-V270 WeakPolarHBondContact O-CG1 3.35Å; A224-V270 VanDerWaalsContact O-CG2 3.32Å; A224-V270 WeakPolarHBondContact O-CG2 3.39Å; K268-V270 PolarHBondContact O-N 3.48Å; V270-L272 HydrophobicContact CG1-CD2 3.74Å; V270-L272 HydrophobicContact CG1-CG 3.99Å; V270-L272 PolarHBondContact O-N 2.8Å; V270-M489 HydrophobicContact CB-CE 3.68Å; V270-M489 HydrophobicContact CG1-CE 3.87Å; V270-M489 HydrophobicContact CG2-CE 2.94Å | ||
| 271 | F | 50 | Low | 61.8 | Low | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.482 | 32% | 0.32 | S | S | . | . | trans | -69.5 | 69.6 | 169 | -57.7 | -71.1 | 0 | 0 | 0 | 109.8 | H251 F273 | H251-F271 AromaticContact CE1-CD1 3.31Å; H251-F271 WeakPolarHBondContact CE1-CD1 3.44Å; H251-F271 AromaticContact CE1-CG 3.69Å; H251-F271 AromaticContact CG-CD1 3.79Å; H251-F271 WeakPolarHBondContact ND1-CB 3.07Å; H251-F271 AromaticContact ND1-CD1 3.32Å; H251-F271 VanDerWaalsContact ND1-CD1 3.32Å; H251-F271 WeakPolarHBondContact ND1-CD1 3.46Å; H251-F271 AromaticContact ND1-CG 3.75Å; H251-F271 AromaticContact NE2-CD1 3.81Å; F271-F273 PolarHBondContact O-N 3.18Å | ||
| 272 | L | 64.2 | Low | 64.3 | Low | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 128.8 | 161.3 | -53 | 170.3 | 0 | 0 | 0 | 106 | W233 H251 N252 V270 | W233-L272 HydrophobicContact CB-CD2 3.47Å; W233-L272 VanDerWaalsContact CB-CD2 3.47Å; W233-L272 HydrophobicContact CD2-CD2 3.71Å; W233-L272 HydrophobicContact CE3-CD1 4.31Å; W233-L272 HydrophobicContact CE3-CD2 3.61Å; W233-L272 HydrophobicContact CG-CD2 3.71Å; H251-L272 CarbonylContact C-O 3.55Å; N252-L272 HydrophobicContact CB-CB 3.84Å; N252-L272 WeakPolarHBondContact CB-O 3.35Å; N252-L272 VanDerWaalsContact CG-CB 3.46Å; N252-L272 VanDerWaalsContact CG-O 3.28Å; N252-L272 PolarHBondContact N-O 2.88Å; N252-L272 WeakPolarHBondContact ND2-CB 3.31Å; N252-L272 PolarHBondContact OD1-O 2.83Å; V270-L272 HydrophobicContact CG1-CD2 3.74Å; V270-L272 HydrophobicContact CG1-CG 3.99Å; V270-L272 PolarHBondContact O-N 2.8Å |
| 273 | F | 68.5 | Low | 67.1 | Low | 35 Ų | 35 | 58.8 Ų | 58.8 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.7 | 177.3 | -72 | -80 | 0 | 0 | 0 | 110.1 | P205 S234 D235 F249 C250 H251 F271 | P205-F273 HydrophobicContact CG-CD1 4.5Å; P205-F273 HydrophobicContact CG-CD2 3.93Å; P205-F273 HydrophobicContact CG-CE1 4.19Å; P205-F273 HydrophobicContact CG-CE2 3.6Å; P205-F273 HydrophobicContact CG-CG 4.36Å; P205-F273 HydrophobicContact CG-CZ 3.74Å; S234-F273 WeakPolarHBondContact CA-O 3.24Å; S234-F273 VanDerWaalsContact CB-O 3.3Å; S234-F273 WeakPolarHBondContact CB-O 3.49Å; D235-F273 PolarHBondContact N-O 3.35Å; F249-F273 HydrophobicContact CB-CD1 3.83Å; F249-F273 HydrophobicContact CB-CE1 4.39Å; F249-F273 HydrophobicContact CB-CG 4.47Å; F249-F273 HydrophobicContact CD1-CB 4.29Å; C250-F273 CarbonylContact O-C 3.49Å; C250-F273 VanDerWaalsContact O-CA 3.29Å; C250-F273 WeakPolarHBondContact O-CA 3.14Å; H251-F273 AromaticContact CE1-CE1 3.22Å; H251-F273 WeakPolarHBondContact CE1-CE1 3.17Å; H251-F273 AromaticContact CE1-CZ 3.43Å; H251-F273 VanDerWaalsContact CE1-CZ 3.43Å; H251-F273 WeakPolarHBondContact CE1-CZ 3.39Å; H251-F273 AromaticContact ND1-CD1 3.81Å; H251-F273 AromaticContact ND1-CE1 3.37Å; H251-F273 WeakPolarHBondContact ND1-CE1 3.49Å; H251-F273 AromaticContact ND1-CZ 3.82Å; F271-F273 PolarHBondContact O-N 3.18Å |
| 274 | F | 75.7 | Confident | 70 | Confident | 56 Ų | 56 | 52 Ų | 52 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.9 | 156.7 | -65.5 | -67.6 | 0 | 0 | 0 | 109.5 | D235 P236 L237 F249 C250 N252 | D235-F274 HydrophobicContact CB-CD1 3.58Å; D235-F274 HydrophobicContact CB-CE1 3.61Å; D235-F274 CarbonylContact O-C 3.56Å; D235-F274 WeakPolarHBondContact O-CA 3.43Å; P236-F274 VanDerWaalsContact O-CD1 3.31Å; P236-F274 WeakPolarHBondContact O-CD1 3.24Å; L237-F274 HydrophobicContact CD2-CB 3.52Å; L237-F274 HydrophobicContact CD2-CD2 4.32Å; L237-F274 HydrophobicContact CD2-CG 4.06Å; L237-F274 HydrophobicContact CG-CB 3.8Å; F249-F274 WeakPolarHBondContact CA-O 3.19Å; C250-F274 PolarHBondContact N-O 2.7Å; C250-F274 PolarHBondContact O-N 2.86Å; N252-F274 HydrophobicContact CB-CD2 4.44Å; N252-F274 HydrophobicContact CB-CE2 3.9Å; N252-F274 HydrophobicContact CB-CZ 4.33Å; N252-F274 VanDerWaalsContact CG-CZ 3.46Å; N252-F274 WeakPolarHBondContact OD1-CD2 3.5Å; N252-F274 WeakPolarHBondContact OD1-CE2 3.34Å; N252-F274 VanDerWaalsContact OD1-CG 3.23Å; N252-F274 WeakPolarHBondContact OD1-CG 3.39Å; N252-F274 WeakPolarHBondContact OD1-CZ 3.4Å; N252-F274 PolarHBondContact OD1-N 3.27Å |
| 275 | S | 77.2 | Confident | 72.9 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.5 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | D235 L237 F240 | D235-S275 PolarHBondContact O-N 2.98Å; D235-S275 PolarHBondContact O-OG 2.7Å; L237-S275 PolarHBondContact N-O 2.94Å; L237-S275 VanDerWaalsContact N-O 3.07Å; F240-S275 WeakPolarHBondContact CD2-O 3.29Å |
| 276 | S | 91 | Very high | 75.6 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 165.3 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | F240 D247 Q248 A278 A279 C280 | F240-S276 VanDerWaalsContact CE2-C 3.47Å; D247-S276 WeakPolarHBondContact O-CB 3.08Å; D247-S276 PolarHBondContact O-OG 3.02Å; Q248-S276 WeakPolarHBondContact CA-OG 3.49Å; Q248-S276 PolarHBondContact O-N 3.22Å; Q248-S276 PolarHBondContact O-OG 3.04Å; S276-A278 PolarHBondContact O-N 2.96Å; S276-A279 WeakPolarHBondContact O-CB 3.36Å; S276-A279 PolarHBondContact O-N 3.19Å; S276-A279 VanDerWaalsContact O-N 3.12Å; S276-A279 PolarHBondContact OG-N 2.95Å; S276-C280 PolarHBondContact O-N 3.14Å |
| 277 | Y | 93.9 | Very high | 78.5 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.7 | -34 | 172.2 | 171.5 | -99.8 | 0 | 0 | 0 | 112.1 | F240 E243 C281 K307 K308 S309 Q310 | F240-Y277 HydrophobicContact CD1-CD2 4.44Å; F240-Y277 AromaticContact CE1-CD2 3.71Å; F240-Y277 HydrophobicContact CE1-CD2 3.71Å; F240-Y277 HydrophobicContact CE1-CG 4.3Å; F240-Y277 VanDerWaalsContact CE2-CA 3.49Å; F240-Y277 HydrophobicContact CZ-CD2 4.08Å; E243-Y277 WeakPolarHBondContact OE1-CB 3.44Å; E243-Y277 PolarHBondContact OE1-N 3.03Å; Y277-C281 WeakPolarHBondContact CE2-SG 3.12Å; Y277-C281 WeakPolarHBondContact O-CB 3.44Å; Y277-C281 PolarHBondContact O-N 3.07Å; Y277-C281 PolarHBondContact O-SG 3.03Å; Y277-K307 HydrophobicContact CD1-CD 4.27Å; Y277-K307 HydrophobicContact CD2-CB 3.88Å; Y277-K307 HydrophobicContact CD2-CD 4.05Å; Y277-K307 HydrophobicContact CD2-CG 4.14Å; Y277-K307 HydrophobicContact CE1-CD 4.2Å; Y277-K307 HydrophobicContact CE2-CB 3.89Å; Y277-K307 HydrophobicContact CE2-CD 3.94Å; Y277-K307 HydrophobicContact CE2-CG 3.77Å; Y277-K307 HydrophobicContact CG-CD 4.2Å; Y277-K308 PolarHBondContact OH-O 2.83Å; Y277-S309 WeakPolarHBondContact OH-CA 3.4Å; Y277-Q310 PolarHBondContact OH-N 2.9Å |
| 278 | A | 93.5 | Very high | 81.5 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S276 C280 C281 D282 | S276-A278 PolarHBondContact O-N 2.96Å; A278-C280 PolarHBondContact O-N 2.98Å; A278-C281 PolarHBondContact O-N 3.05Å; A278-D282 WeakPolarHBondContact O-CB 3.42Å; A278-D282 PolarHBondContact O-N 2.96Å |
| 279 | A | 93.8 | Very high | 84.3 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q248 F249 S276 D282 F283 | Q248-A279 HydrophobicContact CB-CB 3.8Å; Q248-A279 HydrophobicContact CG-CB 4.2Å; Q248-A279 VanDerWaalsContact O-CB 3.27Å; Q248-A279 WeakPolarHBondContact O-CB 3.32Å; F249-A279 HydrophobicContact CE1-CB 4.43Å; F249-A279 HydrophobicContact CE2-CB 4.2Å; F249-A279 HydrophobicContact CZ-CB 4.06Å; S276-A279 WeakPolarHBondContact O-CB 3.36Å; S276-A279 PolarHBondContact O-N 3.19Å; S276-A279 VanDerWaalsContact O-N 3.12Å; S276-A279 PolarHBondContact OG-N 2.95Å; A279-D282 PolarHBondContact O-N 3.01Å; A279-F283 WeakPolarHBondContact O-CB 3.38Å; A279-F283 PolarHBondContact O-N 2.84Å |
| 280 | C | 95.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | L203 F240 S276 A278 D282 F283 L284 S316 | L203-C280 HydrophobicContact CD1-CB 4.46Å; F240-C280 HydrophobicContact CE2-CB 4.06Å; F240-C280 HydrophobicContact CZ-CB 3.83Å; S276-C280 PolarHBondContact O-N 3.14Å; A278-C280 PolarHBondContact O-N 2.98Å; C280-D282 PolarHBondContact O-N 2.62Å; C280-F283 PolarHBondContact O-N 3.4Å; C280-L284 WeakPolarHBondContact O-CB 3.49Å; C280-L284 WeakPolarHBondContact O-CG 3.24Å; C280-L284 PolarHBondContact O-N 3.48Å; C280-S316 PolarHBondContact SG-O 3.34Å; C280-S316 VanDerWaalsContact SG-O 3.41Å |
| 281 | C | 95.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 180 | -70.8 | 0 | 0 | 0 | 0 | 113 | Y277 A278 L284 Q285 | Y277-C281 WeakPolarHBondContact CE2-SG 3.12Å; Y277-C281 WeakPolarHBondContact O-CB 3.44Å; Y277-C281 PolarHBondContact O-N 3.07Å; Y277-C281 PolarHBondContact O-SG 3.03Å; A278-C281 PolarHBondContact O-N 3.05Å; C281-L284 PolarHBondContact O-N 3.05Å; C281-Q285 WeakPolarHBondContact O-CB 3.25Å; C281-Q285 PolarHBondContact O-N 3.49Å |
| 282 | D | 95.2 | Very high | 91.5 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 176.4 | -171.5 | 38 | 0 | 0 | 0 | 110.8 | Q248 A278 A279 C280 L284 Q285 H286 | Q248-D282 PolarHBondContact NE2-OD2 3.45Å; A278-D282 WeakPolarHBondContact O-CB 3.42Å; A278-D282 PolarHBondContact O-N 2.96Å; A279-D282 PolarHBondContact O-N 3.01Å; C280-D282 PolarHBondContact O-N 2.62Å; D282-L284 PolarHBondContact O-N 2.76Å; D282-Q285 PolarHBondContact O-N 2.84Å; D282-H286 VanDerWaalsContact O-CB 3.3Å; D282-H286 WeakPolarHBondContact O-CB 3.19Å; D282-H286 PolarHBondContact O-N 3.01Å |
| 283 | F | 97.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 176.6 | -176.1 | -89.5 | 0 | 0 | 0 | 112.5 | L197 L203 I207 L210 A279 C280 Q285 H286 N287 L289 I292 | L197-F283 HydrophobicContact CD2-CD1 4.49Å; L197-F283 HydrophobicContact CD2-CE1 3.49Å; L197-F283 VanDerWaalsContact CD2-CE1 3.49Å; L197-F283 HydrophobicContact CD2-CZ 3.76Å; L203-F283 HydrophobicContact CD1-CB 3.89Å; L203-F283 HydrophobicContact CD1-CG 4.2Å; L203-F283 HydrophobicContact CD2-CB 4.4Å; L203-F283 HydrophobicContact CD2-CD1 3.84Å; L203-F283 HydrophobicContact CD2-CD2 4Å; L203-F283 HydrophobicContact CD2-CE1 4.1Å; L203-F283 HydrophobicContact CD2-CE2 4.24Å; L203-F283 HydrophobicContact CD2-CG 3.79Å; L203-F283 HydrophobicContact CD2-CZ 4.29Å; I207-F283 HydrophobicContact CG2-CE2 4.06Å; L210-F283 HydrophobicContact CD2-CZ 4.22Å; A279-F283 WeakPolarHBondContact O-CB 3.38Å; A279-F283 PolarHBondContact O-N 2.84Å; C280-F283 PolarHBondContact O-N 3.4Å; F283-Q285 PolarHBondContact O-N 3.11Å; F283-H286 PolarHBondContact O-N 3.12Å; F283-N287 HydrophobicContact CE1-CB 4.49Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.49Å; F283-N287 WeakPolarHBondContact O-CB 3.33Å; F283-N287 PolarHBondContact O-N 3.3Å; F283-N287 PolarHBondContact O-ND2 3.38Å; F283-L289 HydrophobicContact CE1-CD1 3.9Å; F283-I292 HydrophobicContact CD1-CD1 4.26Å |
| 284 | L | 97.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.4 | -72.9 | 175.4 | 0 | 0 | 0 | 111.6 | C280 C281 D282 N288 L289 I292 | C280-L284 WeakPolarHBondContact O-CB 3.49Å; C280-L284 WeakPolarHBondContact O-CG 3.24Å; C280-L284 PolarHBondContact O-N 3.48Å; C281-L284 PolarHBondContact O-N 3.05Å; D282-L284 PolarHBondContact O-N 2.76Å; L284-N288 WeakPolarHBondContact O-CA 3.35Å; L284-N288 PolarHBondContact O-N 3.21Å; L284-L289 HydrophobicContact CD2-CB 3.57Å; L284-L289 PolarHBondContact O-N 3.46Å; L284-I292 HydrophobicContact CD2-CG1 3.94Å |
| 285 | Q | 96.5 | Very high | 95.6 | Very high | 162 Ų | 162 | 34.3 Ų | 34.3 | 76% | 0.757 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -66.7 | -44.9 | 179 | -177.3 | 176.2 | -13.2 | 0 | 0 | 111.4 | C281 D282 F283 N287 N288 | C281-Q285 WeakPolarHBondContact O-CB 3.25Å; C281-Q285 PolarHBondContact O-N 3.49Å; D282-Q285 PolarHBondContact O-N 2.84Å; F283-Q285 PolarHBondContact O-N 3.11Å; Q285-N287 VanDerWaalsContact C-N 3.28Å; Q285-N287 PolarHBondContact O-N 3.3Å; Q285-N288 PolarHBondContact O-N 3.23Å |
| 286 | H | 96.9 | Very high | 96.6 | Very high | 123 Ų | 123 | 34.5 Ų | 34.5 | 57% | 0.569 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -62.3 | -35.7 | -179.4 | -166.4 | 81.8 | 0 | 0 | 0 | 112.5 | D282 F283 | D282-H286 VanDerWaalsContact O-CB 3.3Å; D282-H286 WeakPolarHBondContact O-CB 3.19Å; D282-H286 PolarHBondContact O-N 3.01Å; F283-H286 PolarHBondContact O-N 3.12Å |
| 287 | N | 98 | Very high | 96.8 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 5.4 | -178.4 | -68 | -83.5 | 0 | 0 | 0 | 114.2 | H208 T209 L210 F283 Q285 L289 | H208-N287 PolarHBondContact O-ND2 2.81Å; T209-N287 WeakPolarHBondContact CA-OD1 3.44Å; L210-N287 HydrophobicContact CG-CB 4.24Å; L210-N287 PolarHBondContact N-OD1 2.94Å; F283-N287 HydrophobicContact CE1-CB 4.49Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.49Å; F283-N287 WeakPolarHBondContact O-CB 3.33Å; F283-N287 PolarHBondContact O-N 3.3Å; F283-N287 PolarHBondContact O-ND2 3.38Å; Q285-N287 VanDerWaalsContact C-N 3.28Å; Q285-N287 PolarHBondContact O-N 3.3Å; N287-L289 VanDerWaalsContact C-N 3.34Å; N287-L289 HydrophobicContact CB-CD1 3.95Å; N287-L289 HydrophobicContact CB-CG 3.98Å; N287-L289 PolarHBondContact O-N 3.37Å |
| 288 | N | 97.6 | Very high | 96.8 | Very high | 144 Ų | 144 | 35.1 Ų | 35.1 | 77% | 0.77 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 47.3 | -177.3 | -171.4 | 49.5 | 0 | 0 | 0 | 113.4 | L284 Q285 | L284-N288 WeakPolarHBondContact O-CA 3.35Å; L284-N288 PolarHBondContact O-N 3.21Å; Q285-N288 PolarHBondContact O-N 3.23Å |
| 289 | L | 98.2 | Very high | 97 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | trans | -107.9 | 157.3 | 179.2 | -62.6 | 175.2 | 0 | 0 | 0 | 111.5 | L191 L197 L210 F283 L284 N287 | L191-L289 HydrophobicContact CD1-CD2 3.56Å; L197-L289 HydrophobicContact CB-CD1 3.84Å; L210-L289 HydrophobicContact CD1-CD2 4.49Å; L210-L289 HydrophobicContact CD2-CD1 4.2Å; F283-L289 HydrophobicContact CE1-CD1 3.9Å; L284-L289 HydrophobicContact CD2-CB 3.57Å; L284-L289 PolarHBondContact O-N 3.46Å; N287-L289 VanDerWaalsContact C-N 3.34Å; N287-L289 HydrophobicContact CB-CD1 3.95Å; N287-L289 HydrophobicContact CB-CG 3.98Å; N287-L289 PolarHBondContact O-N 3.37Å | ||
| 290 | L | 97.5 | Very high | 97.2 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 20% | 0.199 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.3 | -40.2 | 179.3 | -176.7 | 59.5 | 0 | 0 | 0 | 112.8 | Q195 F196 T312 F314 | Q195-L290 HydrophobicContact CB-CB 4.3Å; Q195-L290 PolarHBondContact O-N 2.98Å; F196-L290 HydrophobicContact CE1-CB 4.3Å; F196-L290 HydrophobicContact CE1-CD2 3.95Å; F196-L290 HydrophobicContact CE1-CG 4.25Å; F196-L290 HydrophobicContact CZ-CD2 3.8Å; L290-T312 HydrophobicContact CD1-CG2 3.77Å; L290-F314 HydrophobicContact CD1-CB 3.64Å; L290-F314 HydrophobicContact CD1-CD1 4.23Å; L290-F314 HydrophobicContact CD1-CG 3.98Å; L290-F314 HydrophobicContact CD2-CD1 4.09Å; L290-F314 HydrophobicContact CD2-CD2 4.31Å; L290-F314 HydrophobicContact CD2-CE1 4.4Å; L290-F314 HydrophobicContact CD2-CG 4.06Å; L290-F314 HydrophobicContact CG-CB 4.12Å; L290-F314 HydrophobicContact CG-CD1 3.74Å; L290-F314 HydrophobicContact CG-CE1 4.38Å; L290-F314 HydrophobicContact CG-CG 3.9Å |
| 291 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 161.1 | -175.3 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | F196 L197 P315 S316 | F196-S291 WeakPolarHBondContact CA-O 3.36Å; L197-S291 PolarHBondContact N-O 3.34Å; S291-P315 WeakPolarHBondContact CB-O 3.26Å; S291-P315 PolarHBondContact OG-O 3.34Å; S291-S316 WeakPolarHBondContact CA-O 3.31Å; S291-S316 PolarHBondContact OG-O 3.32Å |
| 292 | I | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.5 | 168.3 | -59 | 175.2 | 0 | 0 | 0 | 108 | L197 V199 L203 F283 L284 S316 L317 I318 | L197-I292 HydrophobicContact CB-CG1 4.48Å; L197-I292 CarbonylContact O-C 3.53Å; L197-I292 WeakPolarHBondContact O-CA 3.29Å; V199-I292 HydrophobicContact CG2-CG2 4.23Å; L203-I292 HydrophobicContact CD1-CD1 3.72Å; L203-I292 HydrophobicContact CD2-CD1 3.61Å; L203-I292 HydrophobicContact CG-CD1 3.69Å; F283-I292 HydrophobicContact CD1-CD1 4.26Å; L284-I292 HydrophobicContact CD2-CG1 3.94Å; I292-S316 PolarHBondContact N-O 3.35Å; I292-L317 HydrophobicContact CB-CD1 3.66Å; I292-L317 HydrophobicContact CG2-CD1 3.67Å; I292-L317 CarbonylContact O-C 3.5Å; I292-L317 WeakPolarHBondContact O-CA 2.87Å; I292-I318 PolarHBondContact O-N 3.44Å |
| 293 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.4 | 174.7 | -55.4 | 174.7 | 0 | 0 | 0 | 107.6 | V88 L117 M192 F196 L197 C198 V199 I318 I320 L337 M344 | V88-I293 HydrophobicContact CG1-CG2 4.19Å; L117-I293 HydrophobicContact CD1-CG2 4.2Å; M192-I293 HydrophobicContact CE-CD1 3.79Å; F196-I293 HydrophobicContact CB-CD1 3.93Å; F196-I293 HydrophobicContact CB-CG1 4.33Å; F196-I293 HydrophobicContact CD1-CD1 3.86Å; F196-I293 HydrophobicContact CD1-CG1 4.2Å; F196-I293 HydrophobicContact CG-CD1 3.93Å; L197-I293 PolarHBondContact O-N 2.83Å; C198-I293 VanDerWaalsContact CA-O 3.25Å; C198-I293 WeakPolarHBondContact CA-O 3.47Å; V199-I293 PolarHBondContact N-O 3.45Å; V199-I293 VanDerWaalsContact N-O 3.11Å; I293-I318 WeakPolarHBondContact CA-O 3.45Å; I293-I318 HydrophobicContact CG1-CB 4.49Å; I293-I318 HydrophobicContact CG1-CD1 4.47Å; I293-I320 HydrophobicContact CG2-CG2 4.41Å; I293-L337 HydrophobicContact CD1-CD1 3.95Å; I293-L337 HydrophobicContact CG2-CD1 4.24Å; I293-M344 HydrophobicContact CD1-CE 4.08Å |
| 294 | R | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 174.3 | -176.4 | 66.1 | 77.8 | 59.6 | 151 | 24.7 | 113 | V199 H200 G201 S234 D235 H296 E297 L317 I318 T319 I320 | V199-R294 HydrophobicContact CG2-CB 4.16Å; V199-R294 VanDerWaalsContact O-CA 3.24Å; V199-R294 WeakPolarHBondContact O-CA 3.48Å; H200-R294 PolarHBondContact O-NE 2.85Å; G201-R294 VanDerWaalsContact O-CB 3.32Å; G201-R294 WeakPolarHBondContact O-CB 3.44Å; G201-R294 WeakPolarHBondContact O-CG 3.42Å; G201-R294 PolarHBondContact O-NE 3.37Å; G201-R294 PolarHBondContact O-NH2 3.45Å; G201-R294 VanDerWaalsContact O-NH2 3.13Å; S234-R294 PolarHBondContact O-NH2 2.75Å; S234-R294 VanDerWaalsContact O-NH2 3.1Å; D235-R294 IonicContact OD1-CZ 3.61Å; D235-R294 IonicContact OD1-NH1 2.81Å; D235-R294 IonicContact OD1-NH2 3.61Å; D235-R294 PolarHBondContact OD1-NH2 2.8Å; R294-H296 PolarHBondContact NH2-CD2 2.93Å; R294-E297 IonicContact CZ-OE2 2.64Å; R294-E297 VanDerWaalsContact NH1-CG 3.3Å; R294-E297 IonicContact NH1-OE2 3.4Å; R294-E297 PolarHBondContact NH1-OE2 2.93Å; R294-L317 HydrophobicContact CG-CD1 3.7Å; R294-L317 HydrophobicContact CG-CG 4.42Å; R294-I318 PolarHBondContact N-O 3.39Å; R294-T319 WeakPolarHBondContact CD-OG1 3.47Å; R294-T319 CarbonylContact O-C 3.49Å; R294-T319 VanDerWaalsContact O-CA 3.29Å; R294-T319 WeakPolarHBondContact O-CA 3.31Å; R294-I320 PolarHBondContact O-N 3.2Å |
| 295 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -125.1 | -119.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | D91 L117 H200 E297 T319 I320 | D91-A295 WeakPolarHBondContact OD1-CB 3.31Å; L117-A295 HydrophobicContact CB-CB 3.83Å; L117-A295 HydrophobicContact CD1-CB 4Å; H200-A295 CarbonylContact O-C 3.6Å; H200-A295 PolarHBondContact O-N 3.23Å; A295-E297 PolarHBondContact O-N 3.19Å; A295-T319 WeakPolarHBondContact O-CG2 3.33Å; A295-I320 VanDerWaalsContact CA-O 3.29Å; A295-I320 WeakPolarHBondContact CA-O 3.45Å; A295-I320 WeakPolarHBondContact CB-O 3.26Å | ||
| 296 | H | 96.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | trans | 64.3 | -33.5 | 164.1 | -173.3 | 48.7 | 0 | 0 | 0 | 118.5 | D91 N151 H200 D235 R294 | D91-H296 PolarHBondContact OD1-N 3.25Å; D91-H296 VanDerWaalsContact OD2-CA 3.23Å; D91-H296 WeakPolarHBondContact OD2-CA 3.49Å; D91-H296 PolarHBondContact OD2-N 3.19Å; N151-H296 PolarHBondContact ND2-CE1 3.47Å; N151-H296 PolarHBondContact OD1-ND1 3.28Å; H200-H296 AromaticContact NE2-CG 3.93Å; H200-H296 AromaticContact NE2-ND1 3.6Å; D235-H296 IonicContact OD1-CD2 3.93Å; D235-H296 PolarHBondContact OD1-CD2 2.79Å; D235-H296 VanDerWaalsContact OD1-CD2 3.23Å; D235-H296 IonicContact OD1-NE2 2.72Å; R294-H296 PolarHBondContact NH2-CD2 2.93Å | ||
| 297 | E | 95.2 | Very high | 97.6 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -110.1 | 121.6 | 178.9 | -74.4 | -179.5 | 92.1 | 0 | 0 | 111 | D235 P236 R294 A295 Q299 T319 K480 | D235-E297 WeakPolarHBondContact OD1-CG 3.32Å; P236-E297 WeakPolarHBondContact CD-OE2 3.41Å; R294-E297 IonicContact CZ-OE2 2.64Å; R294-E297 VanDerWaalsContact NH1-CG 3.3Å; R294-E297 IonicContact NH1-OE2 3.4Å; R294-E297 PolarHBondContact NH1-OE2 2.93Å; A295-E297 PolarHBondContact O-N 3.19Å; E297-Q299 WeakPolarHBondContact O-CG 3.47Å; E297-Q299 PolarHBondContact O-N 3.25Å; E297-Q299 PolarHBondContact O-NE2 3.38Å; E297-T319 HydrophobicContact CB-CG2 4.49Å; E297-T319 WeakPolarHBondContact O-CG2 3.17Å; E297-K480 IonicContact OE1-NZ 2.64Å |
| 298 | A | 94.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | trans | -52 | 136.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F321 Y326 Y330 F476 | A298-F321 HydrophobicContact CB-CD1 4.37Å; A298-F321 HydrophobicContact CB-CE1 3.89Å; A298-F321 HydrophobicContact CB-CE2 4.06Å; A298-F321 HydrophobicContact CB-CZ 3.73Å; A298-Y326 HydrophobicContact CB-CD1 4.32Å; A298-Y330 HydrophobicContact CB-CE1 4.2Å; A298-F476 HydrophobicContact CB-CE2 4.32Å; A298-F476 HydrophobicContact CB-CZ 4.2Å; A298-F476 WeakPolarHBondContact O-CZ 3.23Å | ||
| 299 | Q | 97.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | trans | -128.8 | 133.4 | 178.4 | -55.2 | -57.5 | -46.6 | 0 | 0 | 109.9 | E297 A301 G302 R304 T319 F321 | E297-Q299 WeakPolarHBondContact O-CG 3.47Å; E297-Q299 PolarHBondContact O-N 3.25Å; E297-Q299 PolarHBondContact O-NE2 3.38Å; Q299-A301 VanDerWaalsContact C-N 3.27Å; Q299-A301 PolarHBondContact O-N 3.44Å; Q299-G302 WeakPolarHBondContact O-CA 3.4Å; Q299-G302 PolarHBondContact O-N 3.45Å; Q299-R304 HydrophobicContact CG-CB 4.23Å; Q299-T319 HydrophobicContact CG-CG2 3.79Å; Q299-F321 HydrophobicContact CG-CB 4.4Å | ||
| 300 | D | 97.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -40.2 | 179.1 | -175.8 | 41.7 | 0 | 0 | 0 | 112.3 | G302 K333 F476 | D300-G302 VanDerWaalsContact C-N 3.3Å; D300-G302 PolarHBondContact O-N 2.89Å; D300-K333 PolarHBondContact O-N 2.71Å; D300-F476 HydrophobicContact CB-CB 4.23Å; D300-F476 HydrophobicContact CB-CD1 3.97Å; D300-F476 HydrophobicContact CB-CD2 3.83Å; D300-F476 HydrophobicContact CB-CE1 4.31Å; D300-F476 HydrophobicContact CB-CE2 4.17Å; D300-F476 HydrophobicContact CB-CG 3.73Å; D300-F476 HydrophobicContact CB-CZ 4.42Å |
| 301 | A | 98 | Very high | 96.9 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q299 Y303 Q348 | Q299-A301 VanDerWaalsContact C-N 3.27Å; Q299-A301 PolarHBondContact O-N 3.44Å; A301-Y303 HydrophobicContact CB-CD1 4.12Å; A301-Y303 HydrophobicContact CB-CE1 4.08Å; A301-Y303 WeakPolarHBondContact O-CD1 3.38Å; A301-Y303 PolarHBondContact O-N 3.4Å; A301-Q348 PolarHBondContact O-NE2 2.91Å |
| 302 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 73.9 | -0.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q299 D300 F321 K333 A335 | Q299-G302 WeakPolarHBondContact O-CA 3.4Å; Q299-G302 PolarHBondContact O-N 3.45Å; D300-G302 VanDerWaalsContact C-N 3.3Å; D300-G302 PolarHBondContact O-N 2.89Å; G302-F321 PolarHBondContact O-N 3.38Å; G302-K333 WeakPolarHBondContact CA-O 3.5Å; G302-K333 PolarHBondContact N-O 3.49Å; G302-K333 VanDerWaalsContact N-O 3.11Å; G302-A335 WeakPolarHBondContact O-CB 3.13Å |
| 303 | Y | 98.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 161.1 | 173.1 | 76.3 | -75 | 0 | 0 | 0 | 111.1 | A301 M305 T319 A335 I346 Q348 | A301-Y303 HydrophobicContact CB-CD1 4.12Å; A301-Y303 HydrophobicContact CB-CE1 4.08Å; A301-Y303 WeakPolarHBondContact O-CD1 3.38Å; A301-Y303 PolarHBondContact O-N 3.4Å; Y303-M305 HydrophobicContact CD2-CE 4.08Å; Y303-M305 HydrophobicContact CD2-CG 3.99Å; Y303-M305 HydrophobicContact CE2-CE 4.3Å; Y303-M305 HydrophobicContact CE2-CG 3.88Å; Y303-T319 CarbonylContact C-O 3.52Å; Y303-T319 WeakPolarHBondContact CA-O 3.47Å; Y303-T319 WeakPolarHBondContact CB-O 3.28Å; Y303-A335 HydrophobicContact CD1-CB 4.33Å; Y303-I346 HydrophobicContact CD1-CG2 3.56Å; Y303-I346 HydrophobicContact CD2-CG1 4.17Å; Y303-I346 HydrophobicContact CD2-CG2 4.25Å; Y303-I346 HydrophobicContact CE1-CG2 3.89Å; Y303-I346 HydrophobicContact CE2-CG1 4.31Å; Y303-I346 HydrophobicContact CG-CG1 4.47Å; Y303-I346 HydrophobicContact CG-CG2 3.76Å; Y303-Q348 HydrophobicContact CE1-CG 4.41Å |
| 304 | R | 98.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 53 Ų | 53 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 126.2 | 169.9 | -178.1 | 171.5 | 178.5 | -167.9 | 3.1 | 110.4 | Q299 Y306 I318 T319 | Q299-R304 HydrophobicContact CG-CB 4.23Å; R304-Y306 HydrophobicContact CB-CE2 4.09Å; R304-Y306 HydrophobicContact CG-CD2 4.22Å; R304-Y306 HydrophobicContact CG-CE1 4.42Å; R304-Y306 HydrophobicContact CG-CE2 3.84Å; R304-I318 WeakPolarHBondContact O-CA 3.13Å; R304-T319 PolarHBondContact N-O 3.25Å; R304-T319 PolarHBondContact O-N 2.96Å |
| 305 | M | 97.3 | Very high | 96.5 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.1 | 171.9 | -63.4 | -72.8 | 176 | 0 | 0 | 108.2 | Y303 P315 I318 M344 I346 | Y303-M305 HydrophobicContact CD2-CE 4.08Å; Y303-M305 HydrophobicContact CD2-CG 3.99Å; Y303-M305 HydrophobicContact CE2-CE 4.3Å; Y303-M305 HydrophobicContact CE2-CG 3.88Å; M305-P315 HydrophobicContact CB-CB 4.44Å; M305-P315 HydrophobicContact CB-CG 4.27Å; M305-P315 HydrophobicContact SD-CB 4.18Å; M305-P315 HydrophobicContact SD-CG 3.95Å; M305-I318 HydrophobicContact CE-CD1 4.04Å; M305-I318 HydrophobicContact CE-CG1 4.47Å; M305-I318 HydrophobicContact CE-CG2 3.91Å; M305-I318 HydrophobicContact SD-CB 4.21Å; M305-I318 HydrophobicContact SD-CD1 3.57Å; M305-I318 VanDerWaalsContact SD-CD1 3.57Å; M305-I318 HydrophobicContact SD-CG1 3.55Å; M305-I318 VanDerWaalsContact SD-CG1 3.55Å; M305-I318 HydrophobicContact SD-CG2 3.75Å; M305-M344 HydrophobicContact CE-SD 4.29Å; M305-I346 HydrophobicContact CE-CD1 3.67Å; M305-I346 HydrophobicContact CE-CG1 3.64Å |
| 306 | Y | 97.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | trans | -86 | -178.8 | -179 | -68.1 | -99.4 | 0 | 0 | 0 | 111.7 | P236 F240 R304 K308 L317 T319 | P236-Y306 HydrophobicContact CB-CD1 4.5Å; P236-Y306 HydrophobicContact CB-CE1 3.9Å; P236-Y306 HydrophobicContact CG-CE1 3.68Å; P236-Y306 HydrophobicContact CG-CE2 4.41Å; P236-Y306 VanDerWaalsContact CG-OH 3.27Å; P236-Y306 WeakPolarHBondContact CG-OH 3.13Å; F240-Y306 HydrophobicContact CB-CD1 4.02Å; F240-Y306 HydrophobicContact CB-CE1 4.33Å; F240-Y306 AromaticContact CD1-CD1 3.56Å; F240-Y306 HydrophobicContact CD1-CD1 3.56Å; F240-Y306 HydrophobicContact CD1-CG 4.04Å; F240-Y306 HydrophobicContact CE1-CD1 4.17Å; F240-Y306 HydrophobicContact CE1-CG 4.21Å; F240-Y306 AromaticContact CG-CD1 3.91Å; F240-Y306 HydrophobicContact CG-CD1 3.91Å; R304-Y306 HydrophobicContact CB-CE2 4.09Å; R304-Y306 HydrophobicContact CG-CD2 4.22Å; R304-Y306 HydrophobicContact CG-CE1 4.42Å; R304-Y306 HydrophobicContact CG-CE2 3.84Å; Y306-K308 PolarHBondContact O-N 3.28Å; Y306-L317 WeakPolarHBondContact CB-O 3.4Å; Y306-L317 HydrophobicContact CD1-CD2 4.33Å; Y306-L317 HydrophobicContact CD2-CB 3.88Å; Y306-L317 HydrophobicContact CD2-CD2 3.82Å; Y306-L317 HydrophobicContact CD2-CG 3.76Å; Y306-L317 WeakPolarHBondContact CD2-O 3.24Å; Y306-L317 HydrophobicContact CE1-CD2 4.39Å; Y306-L317 HydrophobicContact CE2-CD2 3.88Å; Y306-L317 HydrophobicContact CE2-CG 4.09Å; Y306-L317 HydrophobicContact CG-CB 4.04Å; Y306-L317 HydrophobicContact CG-CD2 4.05Å; Y306-L317 HydrophobicContact CG-CG 4.26Å; Y306-L317 PolarHBondContact N-O 3.43Å; Y306-T319 VanDerWaalsContact CE2-OG1 3.3Å; Y306-T319 WeakPolarHBondContact CE2-OG1 3.35Å; Y306-T319 PolarHBondContact OH-OG1 3.29Å | ||
| 307 | K | 96.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 53.5 Ų | 53.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 135 | -179.5 | -174 | 174 | -179.6 | -179.3 | 0 | 111.5 | G241 Y277 S316 | G241-K307 VanDerWaalsContact CA-CD 3.42Å; G241-K307 VanDerWaalsContact O-CD 3.28Å; G241-K307 WeakPolarHBondContact O-CD 3.32Å; G241-K307 PolarHBondContact O-NZ 3.33Å; Y277-K307 HydrophobicContact CD1-CD 4.27Å; Y277-K307 HydrophobicContact CD2-CB 3.88Å; Y277-K307 HydrophobicContact CD2-CD 4.05Å; Y277-K307 HydrophobicContact CD2-CG 4.14Å; Y277-K307 HydrophobicContact CE1-CD 4.2Å; Y277-K307 HydrophobicContact CE2-CB 3.89Å; Y277-K307 HydrophobicContact CE2-CD 3.94Å; Y277-K307 HydrophobicContact CE2-CG 3.77Å; Y277-K307 HydrophobicContact CG-CD 4.2Å; K307-S316 WeakPolarHBondContact O-CB 3.31Å; K307-S316 PolarHBondContact O-N 3.37Å; K307-S316 PolarHBondContact O-OG 2.86Å |
| 308 | K | 97.2 | Very high | 96.6 | Very high | 131 Ų | 131 | 52 Ų | 52 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | B | Isolated β-bridge | trans | -70.1 | 136.6 | 179 | -67.8 | 173.4 | 168.8 | -166 | 0 | 110.8 | Y277 Y306 Q310 G313 F314 | Y277-K308 PolarHBondContact OH-O 2.83Å; Y306-K308 PolarHBondContact O-N 3.28Å; K308-Q310 PolarHBondContact O-N 3.31Å; K308-G313 VanDerWaalsContact CD-O 3.29Å; K308-G313 WeakPolarHBondContact CD-O 3.42Å; K308-F314 CarbonylContact C-O 3.49Å; K308-F314 VanDerWaalsContact CA-O 3.26Å; K308-F314 WeakPolarHBondContact CA-O 3.36Å |
| 309 | S | 94.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 134.2 | 169.2 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | Y277 A311 G313 F314 | Y277-S309 WeakPolarHBondContact OH-CA 3.4Å; S309-A311 PolarHBondContact O-N 3.33Å; S309-A311 PolarHBondContact OG-N 2.85Å; S309-G313 WeakPolarHBondContact O-CA 3.32Å; S309-G313 PolarHBondContact O-N 3.22Å; S309-F314 PolarHBondContact N-O 2.88Å |
| 310 | Q | 92.6 | Very high | 96.9 | Very high | 176 Ų | 176 | 50.9 Ų | 50.9 | 82% | 0.822 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30 | 177.3 | -67.5 | -177.3 | 0.8 | 0 | 0 | 112.1 | Y277 K308 | Y277-Q310 PolarHBondContact OH-N 2.9Å; K308-Q310 PolarHBondContact O-N 3.31Å |
| 311 | A | 92.3 | Very high | 97 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 76% | 0.76 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -35.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S309 | S309-A311 PolarHBondContact O-N 3.33Å; S309-A311 PolarHBondContact OG-N 2.85Å |
| 312 | T | 94.2 | Very high | 97 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -18.5 | -171.5 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | L290 F314 | L290-T312 HydrophobicContact CD1-CG2 3.77Å; T312-F314 PolarHBondContact O-N 2.85Å; T312-F314 PolarHBondContact OG1-N 3.02Å |
| 313 | G | 95.5 | Very high | 97 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 68.9 | 8.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K308 S309 | K308-G313 VanDerWaalsContact CD-O 3.29Å; K308-G313 WeakPolarHBondContact CD-O 3.42Å; S309-G313 WeakPolarHBondContact O-CA 3.32Å; S309-G313 PolarHBondContact O-N 3.22Å |
| 314 | F | 96.8 | Very high | 97 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 24% | 0.237 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -102.5 | 147.8 | -179.7 | -164 | -92.6 | 0 | 0 | 0 | 110.8 | F196 L290 K308 S309 T312 S316 I318 M344 | F196-F314 AromaticContact CE1-CE1 3.8Å; F196-F314 HydrophobicContact CE1-CE1 3.8Å; F196-F314 HydrophobicContact CE1-CZ 4.16Å; F196-F314 HydrophobicContact CZ-CZ 4.49Å; L290-F314 HydrophobicContact CD1-CB 3.64Å; L290-F314 HydrophobicContact CD1-CD1 4.23Å; L290-F314 HydrophobicContact CD1-CG 3.98Å; L290-F314 HydrophobicContact CD2-CD1 4.09Å; L290-F314 HydrophobicContact CD2-CD2 4.31Å; L290-F314 HydrophobicContact CD2-CE1 4.4Å; L290-F314 HydrophobicContact CD2-CG 4.06Å; L290-F314 HydrophobicContact CG-CB 4.12Å; L290-F314 HydrophobicContact CG-CD1 3.74Å; L290-F314 HydrophobicContact CG-CE1 4.38Å; L290-F314 HydrophobicContact CG-CG 3.9Å; K308-F314 CarbonylContact C-O 3.49Å; K308-F314 VanDerWaalsContact CA-O 3.26Å; K308-F314 WeakPolarHBondContact CA-O 3.36Å; S309-F314 PolarHBondContact N-O 2.88Å; T312-F314 PolarHBondContact O-N 2.85Å; T312-F314 PolarHBondContact OG1-N 3.02Å; F314-S316 PolarHBondContact O-N 2.9Å; F314-I318 HydrophobicContact CE1-CD1 4.06Å; F314-I318 HydrophobicContact CZ-CD1 4.42Å; F314-M344 HydrophobicContact CE1-CE 4.2Å; F314-M344 HydrophobicContact CZ-CE 3.71Å; F314-M344 HydrophobicContact CZ-SD 3.83Å |
| 315 | P | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -49.6 | 123.6 | 174.8 | -29.3 | 36.5 | 0 | 0 | 0 | 112 | S291 M305 L317 I318 | S291-P315 WeakPolarHBondContact CB-O 3.26Å; S291-P315 PolarHBondContact OG-O 3.34Å; M305-P315 HydrophobicContact CB-CB 4.44Å; M305-P315 HydrophobicContact CB-CG 4.27Å; M305-P315 HydrophobicContact SD-CB 4.18Å; M305-P315 HydrophobicContact SD-CG 3.95Å; P315-L317 VanDerWaalsContact C-N 3.29Å; P315-L317 PolarHBondContact O-N 3.01Å; P315-I318 HydrophobicContact CB-CD1 4.47Å; P315-I318 HydrophobicContact CB-CG1 4.09Å |
| 316 | S | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -67.8 | -32.4 | -179.6 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | C280 S291 I292 K307 F314 | C280-S316 PolarHBondContact SG-O 3.34Å; C280-S316 VanDerWaalsContact SG-O 3.41Å; S291-S316 WeakPolarHBondContact CA-O 3.31Å; S291-S316 PolarHBondContact OG-O 3.32Å; I292-S316 PolarHBondContact N-O 3.35Å; K307-S316 WeakPolarHBondContact O-CB 3.31Å; K307-S316 PolarHBondContact O-N 3.37Å; K307-S316 PolarHBondContact O-OG 2.86Å; F314-S316 PolarHBondContact O-N 2.9Å |
| 317 | L | 98.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.8 | 178.9 | -178.5 | 70.8 | 0 | 0 | 0 | 109.6 | P236 F240 I292 R294 Y306 P315 | P236-L317 HydrophobicContact CB-CD2 3.56Å; P236-L317 HydrophobicContact CG-CD2 3.76Å; F240-L317 HydrophobicContact CE1-CB 4.36Å; F240-L317 HydrophobicContact CE2-CD2 4.24Å; F240-L317 HydrophobicContact CZ-CB 4.08Å; F240-L317 HydrophobicContact CZ-CD2 4.25Å; I292-L317 HydrophobicContact CB-CD1 3.66Å; I292-L317 HydrophobicContact CG2-CD1 3.67Å; I292-L317 CarbonylContact O-C 3.5Å; I292-L317 WeakPolarHBondContact O-CA 2.87Å; R294-L317 HydrophobicContact CG-CD1 3.7Å; R294-L317 HydrophobicContact CG-CG 4.42Å; Y306-L317 WeakPolarHBondContact CB-O 3.4Å; Y306-L317 HydrophobicContact CD1-CD2 4.33Å; Y306-L317 HydrophobicContact CD2-CB 3.88Å; Y306-L317 HydrophobicContact CD2-CD2 3.82Å; Y306-L317 HydrophobicContact CD2-CG 3.76Å; Y306-L317 WeakPolarHBondContact CD2-O 3.24Å; Y306-L317 HydrophobicContact CE1-CD2 4.39Å; Y306-L317 HydrophobicContact CE2-CD2 3.88Å; Y306-L317 HydrophobicContact CE2-CG 4.09Å; Y306-L317 HydrophobicContact CG-CB 4.04Å; Y306-L317 HydrophobicContact CG-CD2 4.05Å; Y306-L317 HydrophobicContact CG-CG 4.26Å; Y306-L317 PolarHBondContact N-O 3.43Å; P315-L317 VanDerWaalsContact C-N 3.29Å; P315-L317 PolarHBondContact O-N 3.01Å |
| 318 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 123.3 | 175.1 | -53.4 | 179.3 | 0 | 0 | 0 | 108.5 | I292 I293 R294 R304 M305 F314 P315 L337 M344 | I292-I318 PolarHBondContact O-N 3.44Å; I293-I318 WeakPolarHBondContact CA-O 3.45Å; I293-I318 HydrophobicContact CG1-CB 4.49Å; I293-I318 HydrophobicContact CG1-CD1 4.47Å; R294-I318 PolarHBondContact N-O 3.39Å; R304-I318 WeakPolarHBondContact O-CA 3.13Å; M305-I318 HydrophobicContact CE-CD1 4.04Å; M305-I318 HydrophobicContact CE-CG1 4.47Å; M305-I318 HydrophobicContact CE-CG2 3.91Å; M305-I318 HydrophobicContact SD-CB 4.21Å; M305-I318 HydrophobicContact SD-CD1 3.57Å; M305-I318 VanDerWaalsContact SD-CD1 3.57Å; M305-I318 HydrophobicContact SD-CG1 3.55Å; M305-I318 VanDerWaalsContact SD-CG1 3.55Å; M305-I318 HydrophobicContact SD-CG2 3.75Å; F314-I318 HydrophobicContact CE1-CD1 4.06Å; F314-I318 HydrophobicContact CZ-CD1 4.42Å; P315-I318 HydrophobicContact CB-CD1 4.47Å; P315-I318 HydrophobicContact CB-CG1 4.09Å; I318-L337 HydrophobicContact CG2-CD1 4.38Å; I318-M344 HydrophobicContact CD1-CE 3.93Å; I318-M344 HydrophobicContact CD1-SD 3.41Å; I318-M344 WeakPolarHBondContact CD1-SD 3.13Å |
| 319 | T | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.7 | 166.1 | -62 | 0 | 0 | 0 | 0 | 109.1 | R294 A295 E297 Q299 Y303 R304 Y306 | R294-T319 WeakPolarHBondContact CD-OG1 3.47Å; R294-T319 CarbonylContact O-C 3.49Å; R294-T319 VanDerWaalsContact O-CA 3.29Å; R294-T319 WeakPolarHBondContact O-CA 3.31Å; A295-T319 WeakPolarHBondContact O-CG2 3.33Å; E297-T319 HydrophobicContact CB-CG2 4.49Å; E297-T319 WeakPolarHBondContact O-CG2 3.17Å; Q299-T319 HydrophobicContact CG-CG2 3.79Å; Y303-T319 CarbonylContact C-O 3.52Å; Y303-T319 WeakPolarHBondContact CA-O 3.47Å; Y303-T319 WeakPolarHBondContact CB-O 3.28Å; R304-T319 PolarHBondContact N-O 3.25Å; R304-T319 PolarHBondContact O-N 2.96Å; Y306-T319 VanDerWaalsContact CE2-OG1 3.3Å; Y306-T319 WeakPolarHBondContact CE2-OG1 3.35Å; Y306-T319 PolarHBondContact OH-OG1 3.29Å |
| 320 | I | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.5 | 171.1 | -168.3 | 66.9 | 0 | 0 | 0 | 109.4 | V88 G90 L117 I293 R294 A295 A335 L337 | V88-I320 HydrophobicContact CG1-CG2 4.49Å; G90-I320 WeakPolarHBondContact CA-O 3.41Å; L117-I320 HydrophobicContact CD1-CG2 3.61Å; I293-I320 HydrophobicContact CG2-CG2 4.41Å; R294-I320 PolarHBondContact O-N 3.2Å; A295-I320 VanDerWaalsContact CA-O 3.29Å; A295-I320 WeakPolarHBondContact CA-O 3.45Å; A295-I320 WeakPolarHBondContact CB-O 3.26Å; I320-A335 HydrophobicContact CD1-CB 3.73Å; I320-L337 HydrophobicContact CD1-CB 4.37Å |
| 321 | F | 98.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | trans | -133.2 | 123.2 | -177.4 | -170.6 | -104 | 0 | 0 | 0 | 109.8 | D91 A298 Q299 G302 A323 Y326 A334 A335 | D91-F321 HydrophobicContact CB-CD2 3.87Å; D91-F321 HydrophobicContact CB-CE2 3.65Å; D91-F321 WeakPolarHBondContact OD2-CD2 3.36Å; D91-F321 WeakPolarHBondContact OD2-CE2 3.44Å; A298-F321 HydrophobicContact CB-CD1 4.37Å; A298-F321 HydrophobicContact CB-CE1 3.89Å; A298-F321 HydrophobicContact CB-CE2 4.06Å; A298-F321 HydrophobicContact CB-CZ 3.73Å; Q299-F321 HydrophobicContact CG-CB 4.4Å; G302-F321 PolarHBondContact O-N 3.38Å; F321-A323 HydrophobicContact CE1-CB 3.81Å; F321-A323 WeakPolarHBondContact CE1-O 3.48Å; F321-A323 HydrophobicContact CZ-CB 3.92Å; F321-Y326 HydrophobicContact CE1-CG 4.24Å; F321-Y326 HydrophobicContact CZ-CD1 4.13Å; F321-Y326 HydrophobicContact CZ-CD2 4.16Å; F321-Y326 AromaticContact CZ-CG 3.92Å; F321-Y326 HydrophobicContact CZ-CG 3.92Å; F321-A334 WeakPolarHBondContact O-CA 3.4Å; F321-A335 PolarHBondContact O-N 3.38Å | ||
| 322 | S | 98.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | trans | -112.4 | 10.8 | -165.2 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | G90 D91 P324 A335 F349 | G90-S322 PolarHBondContact N-OG 3.26Å; D91-S322 CarbonylContact O-C 3.56Å; D91-S322 VanDerWaalsContact O-CA 3.32Å; D91-S322 WeakPolarHBondContact O-CA 3.27Å; D91-S322 WeakPolarHBondContact O-CB 3.4Å; D91-S322 PolarHBondContact O-N 3.39Å; S322-P324 WeakPolarHBondContact O-CD 3.14Å; S322-A335 PolarHBondContact OG-O 3.21Å; S322-F349 WeakPolarHBondContact O-CZ 3.47Å | ||
| 323 | A | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | trans | -104.4 | 99.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D91 F321 Y326 N332 | D91-A323 PolarHBondContact O-N 3.31Å; D91-A323 VanDerWaalsContact O-N 3.1Å; F321-A323 HydrophobicContact CE1-CB 3.81Å; F321-A323 WeakPolarHBondContact CE1-O 3.48Å; F321-A323 HydrophobicContact CZ-CB 3.92Å; A323-Y326 HydrophobicContact CB-CD2 4.26Å; A323-N332 PolarHBondContact O-ND2 3.41Å | ||
| 324 | P | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 151.6 | -179.7 | 32.4 | -35 | 0 | 0 | 0 | 110.7 | Q95 D98 S322 Y326 A334 F349 C351 | Q95-P324 PolarHBondContact NE2-O 3.13Å; D98-P324 HydrophobicContact CB-CG 3.78Å; D98-P324 VanDerWaalsContact CG-CG 3.46Å; D98-P324 WeakPolarHBondContact OD1-CG 3.45Å; S322-P324 WeakPolarHBondContact O-CD 3.14Å; P324-Y326 PolarHBondContact O-N 3.07Å; P324-A334 HydrophobicContact CB-CB 3.65Å; P324-A334 VanDerWaalsContact CD-CB 3.48Å; P324-A334 HydrophobicContact CG-CB 3.96Å; P324-F349 HydrophobicContact CG-CD2 4.16Å; P324-F349 HydrophobicContact CG-CE2 3.86Å; P324-C351 HydrophobicContact CB-CB 4.01Å; P324-C351 HydrophobicContact CG-CB 3.96Å |
| 325 | N | 94.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 15% | 0.15 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 49.9 | -173.8 | -170.9 | 39 | 0 | 0 | 0 | 111.8 | L327 D328 N331 N332 C351 | N325-L327 PolarHBondContact O-N 3.27Å; N325-D328 WeakPolarHBondContact ND2-CA 3.44Å; N325-D328 WeakPolarHBondContact O-CA 3.24Å; N325-D328 PolarHBondContact O-N 3.04Å; N325-N331 VanDerWaalsContact OD1-CA 3.22Å; N325-N331 WeakPolarHBondContact OD1-CA 3.36Å; N325-N331 PolarHBondContact OD1-N 3.09Å; N325-N332 WeakPolarHBondContact CA-OD1 3.28Å; N325-N332 PolarHBondContact N-O 3.48Å; N325-N332 PolarHBondContact N-OD1 3.33Å; N325-C351 HydrophobicContact CB-CB 3.61Å |
| 326 | Y | 91.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -51.2 | 134.1 | -174.5 | 178.2 | -128.4 | 0 | 0 | 0 | 110.1 | H93 R123 A298 F321 A323 P324 D328 V329 Y330 N332 | H93-Y326 HydrophobicContact CB-CE2 3.97Å; H93-Y326 AromaticContact CD2-CE2 3.49Å; H93-Y326 VanDerWaalsContact CD2-CE2 3.49Å; H93-Y326 WeakPolarHBondContact CD2-CE2 3.38Å; H93-Y326 AromaticContact CD2-CZ 3.93Å; H93-Y326 AromaticContact CG-CE2 3.86Å; R123-Y326 HydrophobicContact CB-CE2 4.03Å; R123-Y326 HydrophobicContact CG-CE2 4.27Å; R123-Y326 WeakPolarHBondContact CG-OH 3.43Å; R123-Y326 PolarHBondContact NE-OH 3.11Å; R123-Y326 PolarHBondContact NH2-OH 3.08Å; A298-Y326 HydrophobicContact CB-CD1 4.32Å; F321-Y326 HydrophobicContact CE1-CG 4.24Å; F321-Y326 HydrophobicContact CZ-CD1 4.13Å; F321-Y326 HydrophobicContact CZ-CD2 4.16Å; F321-Y326 AromaticContact CZ-CG 3.92Å; F321-Y326 HydrophobicContact CZ-CG 3.92Å; A323-Y326 HydrophobicContact CB-CD2 4.26Å; P324-Y326 PolarHBondContact O-N 3.07Å; Y326-D328 PolarHBondContact O-N 3.08Å; Y326-D328 VanDerWaalsContact O-N 3.14Å; Y326-V329 PolarHBondContact O-N 3.31Å; Y326-Y330 HydrophobicContact CD1-CD1 4.46Å; Y326-Y330 AromaticContact CD1-CD2 3.8Å; Y326-Y330 HydrophobicContact CD1-CD2 3.8Å; Y326-Y330 HydrophobicContact CD1-CE1 4.33Å; Y326-Y330 AromaticContact CD1-CE2 3.69Å; Y326-Y330 HydrophobicContact CD1-CE2 3.69Å; Y326-Y330 HydrophobicContact CD1-CG 4.17Å; Y326-Y330 AromaticContact CD1-CZ 3.9Å; Y326-Y330 HydrophobicContact CE1-CE2 4.12Å; Y326-Y330 HydrophobicContact CG-CD2 4.4Å; Y326-Y330 WeakPolarHBondContact O-CB 3.4Å; Y326-Y330 VanDerWaalsContact O-CD2 3.23Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.48Å; Y326-Y330 PolarHBondContact O-N 3.05Å; Y326-N332 PolarHBondContact N-OD1 2.79Å |
| 327 | L | 88.8 | Confident | 95.2 | Very high | 29 Ų | 29 | 21.1 Ų | 21.1 | 15% | 0.152 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 60.3 | 20.6 | -178.7 | -56.7 | 170.8 | 0 | 0 | 0 | 114.8 | R123 N325 V329 Y330 P444 D483 | R123-L327 HydrophobicContact CB-CD2 3.68Å; N325-L327 PolarHBondContact O-N 3.27Å; L327-V329 HydrophobicContact CB-CG2 3.97Å; L327-V329 PolarHBondContact O-N 2.9Å; L327-V329 VanDerWaalsContact O-N 3.07Å; L327-Y330 HydrophobicContact CB-CD2 4.33Å; L327-Y330 HydrophobicContact CD1-CD2 4.22Å; L327-Y330 HydrophobicContact CD1-CE2 3.65Å; L327-Y330 HydrophobicContact CG-CE2 4.44Å; L327-P444 HydrophobicContact CB-CG 4.35Å; L327-P444 HydrophobicContact CD1-CB 4.21Å; L327-P444 HydrophobicContact CD1-CG 3.27Å; L327-P444 HydrophobicContact CD2-CB 3.45Å; L327-P444 VanDerWaalsContact CD2-CB 3.45Å; L327-P444 HydrophobicContact CD2-CG 3.37Å; L327-P444 HydrophobicContact CG-CB 4.41Å; L327-P444 HydrophobicContact CG-CG 3.8Å; L327-D483 WeakPolarHBondContact CD1-OD2 3.35Å |
| 328 | D | 88.4 | Confident | 95.2 | Very high | 91 Ų | 91 | 23.3 Ų | 23.3 | 49% | 0.487 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | 60.8 | 9.1 | -175 | -64.2 | -38.2 | 0 | 0 | 0 | 115.5 | N325 Y326 H354 | N325-D328 WeakPolarHBondContact ND2-CA 3.44Å; N325-D328 WeakPolarHBondContact O-CA 3.24Å; N325-D328 PolarHBondContact O-N 3.04Å; Y326-D328 PolarHBondContact O-N 3.08Å; Y326-D328 VanDerWaalsContact O-N 3.14Å; D328-H354 IonicContact OD1-CE1 2.77Å; D328-H354 IonicContact OD1-NE2 2.78Å; D328-H354 PolarHBondContact OD1-NE2 2.86Å; D328-H354 IonicContact OD2-CE1 2.71Å; D328-H354 PolarHBondContact OD2-CE1 2.71Å; D328-H354 VanDerWaalsContact OD2-CE1 3.27Å; D328-H354 IonicContact OD2-NE2 2.79Å; D328-H354 PolarHBondContact OD2-NE2 2.85Å |
| 329 | V | 82.3 | Confident | 95.2 | Very high | 59 Ų | 59 | 23.8 Ų | 23.8 | 36% | 0.358 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -26.1 | -172.2 | -62.4 | 0 | 0 | 0 | 0 | 114.7 | Y326 L327 N331 I473 A479 | Y326-V329 PolarHBondContact O-N 3.31Å; L327-V329 HydrophobicContact CB-CG2 3.97Å; L327-V329 PolarHBondContact O-N 2.9Å; L327-V329 VanDerWaalsContact O-N 3.07Å; V329-N331 VanDerWaalsContact C-N 3.26Å; V329-N331 PolarHBondContact O-N 3.37Å; V329-I473 HydrophobicContact CB-CD1 3.86Å; V329-I473 HydrophobicContact CG1-CD1 4.09Å; V329-I473 HydrophobicContact CG2-CD1 4.06Å; V329-A479 HydrophobicContact CG2-CB 4.31Å |
| 330 | Y | 86.4 | Confident | 95.1 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -68.8 | -26.4 | -177.2 | -85.8 | -110.1 | 0 | 0 | 0 | 112.9 | A298 Y326 L327 N332 F476 A479 K480 D483 | A298-Y330 HydrophobicContact CB-CE1 4.2Å; Y326-Y330 HydrophobicContact CD1-CD1 4.46Å; Y326-Y330 AromaticContact CD1-CD2 3.8Å; Y326-Y330 HydrophobicContact CD1-CD2 3.8Å; Y326-Y330 HydrophobicContact CD1-CE1 4.33Å; Y326-Y330 AromaticContact CD1-CE2 3.69Å; Y326-Y330 HydrophobicContact CD1-CE2 3.69Å; Y326-Y330 HydrophobicContact CD1-CG 4.17Å; Y326-Y330 AromaticContact CD1-CZ 3.9Å; Y326-Y330 HydrophobicContact CE1-CE2 4.12Å; Y326-Y330 HydrophobicContact CG-CD2 4.4Å; Y326-Y330 WeakPolarHBondContact O-CB 3.4Å; Y326-Y330 VanDerWaalsContact O-CD2 3.23Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.48Å; Y326-Y330 PolarHBondContact O-N 3.05Å; L327-Y330 HydrophobicContact CB-CD2 4.33Å; L327-Y330 HydrophobicContact CD1-CD2 4.22Å; L327-Y330 HydrophobicContact CD1-CE2 3.65Å; L327-Y330 HydrophobicContact CG-CE2 4.44Å; Y330-N332 WeakPolarHBondContact CB-OD1 3.35Å; Y330-N332 PolarHBondContact O-N 3.18Å; Y330-F476 AromaticContact CD1-CD2 3.65Å; Y330-F476 HydrophobicContact CD1-CD2 3.65Å; Y330-F476 AromaticContact CD1-CE2 3.52Å; Y330-F476 HydrophobicContact CD1-CE2 3.52Å; Y330-F476 HydrophobicContact CD1-CG 4.46Å; Y330-F476 HydrophobicContact CD1-CZ 4.22Å; Y330-F476 HydrophobicContact CE1-CE2 4.16Å; Y330-F476 HydrophobicContact CE1-CZ 4.44Å; Y330-F476 HydrophobicContact CG-CD2 4.48Å; Y330-A479 HydrophobicContact CD1-CB 3.83Å; Y330-A479 HydrophobicContact CD2-CB 3.54Å; Y330-A479 HydrophobicContact CE1-CB 4.11Å; Y330-A479 HydrophobicContact CE2-CB 3.78Å; Y330-A479 HydrophobicContact CG-CB 3.59Å; Y330-K480 HydrophobicContact CE1-CB 3.8Å; Y330-K480 HydrophobicContact CE1-CG 4.45Å; Y330-K480 WeakPolarHBondContact OH-CA 3.39Å; Y330-D483 HydrophobicContact CE2-CB 4.1Å; Y330-D483 WeakPolarHBondContact OH-CB 3.43Å; Y330-D483 PolarHBondContact OH-OD2 3.32Å |
| 331 | N | 91.1 | Very high | 94.9 | Very high | 131 Ų | 131 | 35 Ų | 35 | 70% | 0.701 | 18% | 0.179 | S | C | * | . | trans | 54.6 | 21.5 | -177.3 | -166.4 | 44.4 | 0 | 0 | 0 | 114.3 | N325 V329 | N325-N331 VanDerWaalsContact OD1-CA 3.22Å; N325-N331 WeakPolarHBondContact OD1-CA 3.36Å; N325-N331 PolarHBondContact OD1-N 3.09Å; V329-N331 VanDerWaalsContact C-N 3.26Å; V329-N331 PolarHBondContact O-N 3.37Å | ||
| 332 | N | 96.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 158.8 | 176.8 | 65.3 | -65 | 0 | 0 | 0 | 111.8 | A323 N325 Y326 Y330 F476 | A323-N332 PolarHBondContact O-ND2 3.41Å; N325-N332 WeakPolarHBondContact CA-OD1 3.28Å; N325-N332 PolarHBondContact N-O 3.48Å; N325-N332 PolarHBondContact N-OD1 3.33Å; Y326-N332 PolarHBondContact N-OD1 2.79Å; Y330-N332 WeakPolarHBondContact CB-OD1 3.35Å; Y330-N332 PolarHBondContact O-N 3.18Å; N332-F476 HydrophobicContact CB-CD2 3.81Å; N332-F476 HydrophobicContact CB-CE2 3.86Å |
| 333 | K | 98.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 37% | 0.365 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -78 | 157.5 | 161 | -64.6 | 178.1 | -180 | -69 | 0 | 110.1 | D300 G302 N350 | D300-K333 PolarHBondContact O-N 2.71Å; G302-K333 WeakPolarHBondContact CA-O 3.5Å; G302-K333 PolarHBondContact N-O 3.49Å; G302-K333 VanDerWaalsContact N-O 3.11Å; K333-N350 PolarHBondContact NZ-OD1 3.34Å |
| 334 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 162.5 | 161 | 0 | 0 | 0 | 0 | 0 | 110.4 | F321 P324 Q348 F349 | F321-A334 WeakPolarHBondContact O-CA 3.4Å; P324-A334 HydrophobicContact CB-CB 3.65Å; P324-A334 VanDerWaalsContact CD-CB 3.48Å; P324-A334 HydrophobicContact CG-CB 3.96Å; A334-Q348 CarbonylContact O-C 3.49Å; A334-Q348 WeakPolarHBondContact O-CA 3.35Å; A334-F349 HydrophobicContact CB-CD1 4.06Å; A334-F349 HydrophobicContact CB-CD2 4.06Å; A334-F349 HydrophobicContact CB-CE1 3.56Å; A334-F349 HydrophobicContact CB-CE2 3.58Å; A334-F349 HydrophobicContact CB-CG 4.29Å; A334-F349 HydrophobicContact CB-CZ 3.3Å; A334-F349 PolarHBondContact N-O 3.39Å; A334-F349 PolarHBondContact O-N 3.34Å |
| 335 | A | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 161.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G302 Y303 I320 F321 S322 I346 R347 Q348 | G302-A335 WeakPolarHBondContact O-CB 3.13Å; Y303-A335 HydrophobicContact CD1-CB 4.33Å; I320-A335 HydrophobicContact CD1-CB 3.73Å; F321-A335 PolarHBondContact O-N 3.38Å; S322-A335 PolarHBondContact OG-O 3.21Å; A335-I346 HydrophobicContact CB-CG2 3.71Å; A335-R347 VanDerWaalsContact CA-O 3.29Å; A335-R347 WeakPolarHBondContact CA-O 3.33Å; A335-Q348 HydrophobicContact CB-CG 4.08Å |
| 336 | I | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153.6 | 164.8 | 58 | 179.9 | 0 | 0 | 0 | 109.4 | T87 C89 L102 V105 I346 R347 F349 | T87-I336 HydrophobicContact CG2-CB 4.06Å; T87-I336 HydrophobicContact CG2-CD1 3.8Å; T87-I336 HydrophobicContact CG2-CG1 4.3Å; C89-I336 HydrophobicContact CB-CG2 4.44Å; L102-I336 HydrophobicContact CD1-CG2 3.93Å; L102-I336 HydrophobicContact CD2-CG2 4.32Å; L102-I336 HydrophobicContact CG-CG2 3.74Å; V105-I336 HydrophobicContact CB-CD1 4.38Å; V105-I336 HydrophobicContact CG1-CD1 4Å; I336-I346 WeakPolarHBondContact O-CA 3.39Å; I336-R347 HydrophobicContact CD1-CB 4.33Å; I336-R347 HydrophobicContact CG1-CB 3.82Å; I336-R347 PolarHBondContact N-O 2.78Å; I336-R347 PolarHBondContact O-N 3.35Å; I336-F349 HydrophobicContact CG2-CE1 4.2Å |
| 337 | L | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.5 | 177.3 | -179.9 | 165.7 | 0 | 0 | 0 | 109.3 | T87 V88 I293 I318 I320 M344 I346 | T87-L337 CarbonylContact C-O 3.6Å; T87-L337 WeakPolarHBondContact CA-O 3.47Å; V88-L337 HydrophobicContact CB-CB 4.26Å; V88-L337 HydrophobicContact CB-CD2 4.44Å; V88-L337 HydrophobicContact CG2-CD2 4.21Å; V88-L337 PolarHBondContact N-O 3.21Å; V88-L337 PolarHBondContact O-N 3.3Å; I293-L337 HydrophobicContact CD1-CD1 3.95Å; I293-L337 HydrophobicContact CG2-CD1 4.24Å; I318-L337 HydrophobicContact CG2-CD1 4.38Å; I320-L337 HydrophobicContact CD1-CB 4.37Å; L337-M344 HydrophobicContact CD1-CE 3.93Å; L337-M344 HydrophobicContact CD1-CG 3.91Å; L337-M344 HydrophobicContact CD1-SD 3.56Å; L337-M344 VanDerWaalsContact CD1-SD 3.56Å; L337-M344 HydrophobicContact CD2-CE 4.2Å; L337-M344 HydrophobicContact CD2-CG 3.82Å; L337-M344 HydrophobicContact CD2-SD 4.35Å; L337-M344 HydrophobicContact CG-CE 4.45Å; L337-M344 HydrophobicContact CG-CG 3.66Å; L337-M344 HydrophobicContact CG-SD 4.03Å; L337-I346 HydrophobicContact CB-CD1 3.8Å; L337-I346 HydrophobicContact CD1-CD1 4.07Å; L337-I346 HydrophobicContact CG-CD1 3.84Å |
| 338 | K | 98.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 59.5 Ų | 59.5 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.3 | 174.3 | -62.8 | -167.3 | 63.8 | 161.8 | 0 | 109.5 | T87 G106 N345 R347 | T87-K338 HydrophobicContact CG2-CG 4.22Å; G106-K338 PolarHBondContact O-NZ 2.93Å; K338-N345 PolarHBondContact N-O 3.39Å; K338-N345 PolarHBondContact O-N 3.17Å; K338-R347 HydrophobicContact CD-CG 4.07Å; K338-R347 HydrophobicContact CG-CG 4.34Å |
| 339 | Y | 97.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.3 | 175.3 | -173.5 | -117.2 | 0 | 0 | 0 | 110.1 | A84 P85 V86 M192 N193 Q195 F196 V343 M344 | A84-Y339 HydrophobicContact CB-CD1 3.68Å; A84-Y339 HydrophobicContact CB-CE1 3.83Å; P85-Y339 CarbonylContact C-O 3.53Å; P85-Y339 WeakPolarHBondContact CA-O 3.37Å; V86-Y339 PolarHBondContact N-O 3.18Å; V86-Y339 PolarHBondContact O-N 2.94Å; M192-Y339 HydrophobicContact CE-CD1 4.11Å; M192-Y339 HydrophobicContact CE-CG 4.3Å; M192-Y339 HydrophobicContact SD-CD1 3.63Å; M192-Y339 HydrophobicContact SD-CE1 4.14Å; M192-Y339 HydrophobicContact SD-CG 4.38Å; N193-Y339 HydrophobicContact CB-CE1 3.96Å; Q195-Y339 PolarHBondContact OE1-OH 3.14Å; F196-Y339 HydrophobicContact CE2-CD1 4.48Å; F196-Y339 HydrophobicContact CE2-CE1 4.04Å; F196-Y339 HydrophobicContact CE2-CE2 4.24Å; F196-Y339 AromaticContact CE2-CZ 3.9Å; F196-Y339 HydrophobicContact CZ-CE2 4.4Å; Y339-V343 WeakPolarHBondContact CA-O 3.37Å; Y339-M344 HydrophobicContact CD2-CB 4.2Å |
| 340 | E | 95.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 141.7 | -177.7 | 178.8 | 173.3 | -166.2 | 0 | 0 | 109.4 | P85 N342 V343 | P85-E340 HydrophobicContact CB-CB 3.85Å; P85-E340 HydrophobicContact CB-CG 3.89Å; E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.4Å; E340-V343 PolarHBondContact N-O 3.42Å; E340-V343 VanDerWaalsContact N-O 3.13Å; E340-V343 PolarHBondContact O-N 3.38Å |
| 341 | N | 94.5 | Very high | 96.9 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 75% | 0.749 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.1 | 179.1 | -58.5 | -38.3 | 0 | 0 | 0 | 113.9 | V343 | N341-V343 PolarHBondContact O-N 3.03Å; N341-V343 VanDerWaalsContact O-N 3.17Å |
| 342 | N | 92.2 | Very high | 97.3 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.6 | -174.6 | -59.2 | -38.4 | 0 | 0 | 0 | 114.7 | E340 | E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.4Å |
| 343 | V | 95.8 | Very high | 97.3 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.5 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 109 | Y339 E340 N341 | Y339-V343 WeakPolarHBondContact CA-O 3.37Å; E340-V343 PolarHBondContact N-O 3.42Å; E340-V343 VanDerWaalsContact N-O 3.13Å; E340-V343 PolarHBondContact O-N 3.38Å; N341-V343 PolarHBondContact O-N 3.03Å; N341-V343 VanDerWaalsContact O-N 3.17Å |
| 344 | M | 95.5 | Very high | 97.2 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.3 | 171.4 | -174 | 178.2 | -74.6 | 0 | 0 | 109.2 | F196 I293 M305 F314 I318 L337 Y339 | F196-M344 HydrophobicContact CD1-CE 4.31Å; F196-M344 HydrophobicContact CE1-CE 3.64Å; F196-M344 HydrophobicContact CZ-CE 3.76Å; I293-M344 HydrophobicContact CD1-CE 4.08Å; M305-M344 HydrophobicContact CE-SD 4.29Å; F314-M344 HydrophobicContact CE1-CE 4.2Å; F314-M344 HydrophobicContact CZ-CE 3.71Å; F314-M344 HydrophobicContact CZ-SD 3.83Å; I318-M344 HydrophobicContact CD1-CE 3.93Å; I318-M344 HydrophobicContact CD1-SD 3.41Å; I318-M344 WeakPolarHBondContact CD1-SD 3.13Å; L337-M344 HydrophobicContact CD1-CE 3.93Å; L337-M344 HydrophobicContact CD1-CG 3.91Å; L337-M344 HydrophobicContact CD1-SD 3.56Å; L337-M344 VanDerWaalsContact CD1-SD 3.56Å; L337-M344 HydrophobicContact CD2-CE 4.2Å; L337-M344 HydrophobicContact CD2-CG 3.82Å; L337-M344 HydrophobicContact CD2-SD 4.35Å; L337-M344 HydrophobicContact CG-CE 4.45Å; L337-M344 HydrophobicContact CG-CG 3.66Å; L337-M344 HydrophobicContact CG-SD 4.03Å; Y339-M344 HydrophobicContact CD2-CB 4.2Å |
| 345 | N | 97.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.3 | -179 | -170.1 | -17.9 | 0 | 0 | 0 | 110.3 | K338 | K338-N345 PolarHBondContact N-O 3.39Å; K338-N345 PolarHBondContact O-N 3.17Å |
| 346 | I | 98.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.8 | 174.8 | -55.8 | -60.7 | 0 | 0 | 0 | 109.1 | Y303 M305 A335 I336 L337 Q348 | Y303-I346 HydrophobicContact CD1-CG2 3.56Å; Y303-I346 HydrophobicContact CD2-CG1 4.17Å; Y303-I346 HydrophobicContact CD2-CG2 4.25Å; Y303-I346 HydrophobicContact CE1-CG2 3.89Å; Y303-I346 HydrophobicContact CE2-CG1 4.31Å; Y303-I346 HydrophobicContact CG-CG1 4.47Å; Y303-I346 HydrophobicContact CG-CG2 3.76Å; M305-I346 HydrophobicContact CE-CD1 3.67Å; M305-I346 HydrophobicContact CE-CG1 3.64Å; A335-I346 HydrophobicContact CB-CG2 3.71Å; I336-I346 WeakPolarHBondContact O-CA 3.39Å; L337-I346 HydrophobicContact CB-CD1 3.8Å; L337-I346 HydrophobicContact CD1-CD1 4.07Å; L337-I346 HydrophobicContact CG-CD1 3.84Å; I346-Q348 HydrophobicContact CG2-CG 4.49Å |
| 347 | R | 98.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108.8 | 178.1 | -62.8 | -67.3 | -64.7 | -117.2 | -5.7 | 109.2 | V105 A335 I336 K338 | V105-R347 HydrophobicContact CG1-CB 3.8Å; A335-R347 VanDerWaalsContact CA-O 3.29Å; A335-R347 WeakPolarHBondContact CA-O 3.33Å; I336-R347 HydrophobicContact CD1-CB 4.33Å; I336-R347 HydrophobicContact CG1-CB 3.82Å; I336-R347 PolarHBondContact N-O 2.78Å; I336-R347 PolarHBondContact O-N 3.35Å; K338-R347 HydrophobicContact CD-CG 4.07Å; K338-R347 HydrophobicContact CG-CG 4.34Å |
| 348 | Q | 98.6 | Very high | 96 | Very high | 88 Ų | 88 | 74 Ų | 74 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 152.4 | 177.2 | -63.1 | 175.9 | -66.1 | 0 | 0 | 111.8 | A301 Y303 A334 A335 I346 | A301-Q348 PolarHBondContact O-NE2 2.91Å; Y303-Q348 HydrophobicContact CE1-CG 4.41Å; A334-Q348 CarbonylContact O-C 3.49Å; A334-Q348 WeakPolarHBondContact O-CA 3.35Å; A335-Q348 HydrophobicContact CB-CG 4.08Å; I346-Q348 HydrophobicContact CG2-CG 4.49Å |
| 349 | F | 98.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 72.2 Ų | 72.2 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.9 | 172.2 | 61.8 | -80.9 | 0 | 0 | 0 | 111.3 | K101 L102 V105 S322 P324 A334 I336 | K101-F349 HydrophobicContact CB-CD2 4.4Å; K101-F349 HydrophobicContact CG-CB 4.47Å; K101-F349 HydrophobicContact CG-CD2 3.98Å; L102-F349 HydrophobicContact CB-CE1 4.47Å; L102-F349 HydrophobicContact CB-CE2 4.39Å; L102-F349 HydrophobicContact CB-CZ 3.93Å; L102-F349 HydrophobicContact CD1-CZ 4.29Å; L102-F349 HydrophobicContact CG-CZ 4.3Å; V105-F349 HydrophobicContact CG2-CB 4.03Å; V105-F349 HydrophobicContact CG2-CG 4.48Å; S322-F349 WeakPolarHBondContact O-CZ 3.47Å; P324-F349 HydrophobicContact CG-CD2 4.16Å; P324-F349 HydrophobicContact CG-CE2 3.86Å; A334-F349 HydrophobicContact CB-CD1 4.06Å; A334-F349 HydrophobicContact CB-CD2 4.06Å; A334-F349 HydrophobicContact CB-CE1 3.56Å; A334-F349 HydrophobicContact CB-CE2 3.58Å; A334-F349 HydrophobicContact CB-CG 4.29Å; A334-F349 HydrophobicContact CB-CZ 3.3Å; A334-F349 PolarHBondContact N-O 3.39Å; A334-F349 PolarHBondContact O-N 3.34Å; I336-F349 HydrophobicContact CG2-CE1 4.2Å |
| 350 | N | 98.3 | Very high | 94.6 | Very high | 97 Ų | 97 | 73.3 Ų | 73.3 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -100.8 | 170.4 | 177.7 | -54.8 | -36.2 | 0 | 0 | 0 | 110 | K333 | K333-N350 PolarHBondContact NZ-OD1 3.34Š| ||
| 351 | C | 97.5 | Very high | 94.4 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | trans | -67.6 | 157.3 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | D98 P324 N325 | D98-C351 VanDerWaalsContact OD1-CA 3.24Å; D98-C351 WeakPolarHBondContact OD1-CA 3.49Å; P324-C351 HydrophobicContact CB-CB 4.01Å; P324-C351 HydrophobicContact CG-CB 3.96Å; N325-C351 HydrophobicContact CB-CB 3.61Å | ||
| 352 | S | 97.5 | Very high | 94 | Very high | 32 Ų | 32 | 64.4 Ų | 64.4 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | trans | -112.4 | 147 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | D98 H354 | D98-S352 PolarHBondContact OD1-N 3.46Å; S352-H354 PolarHBondContact O-N 2.88Å | ||
| 353 | P | 96.9 | Very high | 94 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 80% | 0.799 | 32% | 0.316 | S | S | * | . | trans | -59.4 | 140.5 | 173.5 | -21.8 | 32.9 | 0 | 0 | 0 | 111.4 | ||||
| 354 | H | 96.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | trans | -131.6 | 159.8 | 171.6 | 59.8 | 81.9 | 0 | 0 | 0 | 110.9 | Y97 F126 D328 S352 | Y97-H354 HydrophobicContact CD1-CB 4.41Å; Y97-H354 HydrophobicContact CD2-CB 3.33Å; Y97-H354 HydrophobicContact CE2-CB 3.89Å; Y97-H354 HydrophobicContact CG-CB 3.66Å; F126-H354 HydrophobicContact CE2-CB 3.9Å; F126-H354 AromaticContact CE2-ND1 3.86Å; F126-H354 HydrophobicContact CZ-CB 4.38Å; D328-H354 IonicContact OD1-CE1 2.77Å; D328-H354 IonicContact OD1-NE2 2.78Å; D328-H354 PolarHBondContact OD1-NE2 2.86Å; D328-H354 IonicContact OD2-CE1 2.71Å; D328-H354 PolarHBondContact OD2-CE1 2.71Å; D328-H354 VanDerWaalsContact OD2-CE1 3.27Å; D328-H354 IonicContact OD2-NE2 2.79Å; D328-H354 PolarHBondContact OD2-NE2 2.85Å; S352-H354 PolarHBondContact O-N 2.88Å | ||
| 355 | P | 96.2 | Very high | 93.8 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | trans | -59.8 | 150.4 | 171.9 | -24.6 | 35.9 | 0 | 0 | 0 | 112.3 | E54 Y97 F126 | E54-P355 HydrophobicContact CG-CB 4.12Å; E54-P355 HydrophobicContact CG-CG 3.6Å; E54-P355 VanDerWaalsContact OE1-CB 3.22Å; E54-P355 WeakPolarHBondContact OE1-CB 3.2Å; E54-P355 WeakPolarHBondContact OE2-CB 3.47Å; E54-P355 WeakPolarHBondContact OE2-CG 3.21Å; Y97-P355 HydrophobicContact CE1-CG 4.44Å; Y97-P355 HydrophobicContact CE2-CG 4.19Å; Y97-P355 VanDerWaalsContact OH-CD 3.25Å; Y97-P355 WeakPolarHBondContact OH-CD 3.27Å; Y97-P355 VanDerWaalsContact OH-CG 3.25Å; Y97-P355 WeakPolarHBondContact OH-CG 3.23Å; F126-P355 HydrophobicContact CZ-CB 4.08Å; F126-P355 HydrophobicContact CZ-CG 4.26Å; F126-P355 WeakPolarHBondContact CZ-O 3.42Å | ||
| 356 | Y | 93.1 | Very high | 93.3 | Very high | 181 Ų | 181 | 67.1 Ų | 67.1 | 71% | 0.71 | 34% | 0.341 | S | S | * | . | trans | -89.2 | 132.1 | 179.4 | -180 | -101.6 | 0 | 0 | 0 | 110.9 | L358 | Y356-L358 HydrophobicContact CE1-CD2 3.98Å; Y356-L358 HydrophobicContact CE1-CG 4.25Å | ||
| 357 | W | 92.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | trans | -119 | 139.9 | 169.1 | -84.1 | 91.8 | 0 | 0 | 0 | 109.3 | Y125 F126 F361 | Y125-W357 HydrophobicContact CD2-CB 3.48Å; Y125-W357 VanDerWaalsContact CD2-CB 3.48Å; Y125-W357 HydrophobicContact CD2-CG 4.46Å; Y125-W357 HydrophobicContact CE2-CB 4.13Å; Y125-W357 HydrophobicContact CG-CB 4.12Å; F126-W357 AromaticContact CE1-CD1 3.95Å; F126-W357 AromaticContact CE1-NE1 3.83Å; F126-W357 AromaticContact CZ-CD1 3.83Å; W357-F361 AromaticContact CD2-CD1 3.9Å; W357-F361 HydrophobicContact CD2-CD1 3.9Å; W357-F361 HydrophobicContact CD2-CE1 4.36Å; W357-F361 HydrophobicContact CE3-CB 4.3Å; W357-F361 AromaticContact CE3-CD1 3.71Å; W357-F361 HydrophobicContact CE3-CD1 3.71Å; W357-F361 HydrophobicContact CE3-CG 4.47Å; W357-F361 HydrophobicContact CG-CD1 4.37Å; W357-F361 HydrophobicContact CZ3-CB 4.42Å; W357-F361 HydrophobicContact CZ3-CD1 4.12Å | ||
| 358 | L | 87.4 | Confident | 92.1 | Very high | 18 Ų | 18 | 67.2 Ų | 67.2 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | trans | -66.3 | 151 | 169.8 | -76.8 | 169.7 | 0 | 0 | 0 | 110.2 | Y356 N360 F361 M362 V364 W367 | Y356-L358 HydrophobicContact CE1-CD2 3.98Å; Y356-L358 HydrophobicContact CE1-CG 4.25Å; L358-N360 PolarHBondContact O-N 3.47Å; L358-F361 PolarHBondContact O-N 3.16Å; L358-M362 HydrophobicContact CB-CB 4.29Å; L358-M362 WeakPolarHBondContact CB-O 3.38Å; L358-V364 HydrophobicContact CD1-CG1 4.21Å; L358-W367 HydrophobicContact CD1-CB 3.84Å; L358-W367 HydrophobicContact CD1-CD2 4.01Å; L358-W367 HydrophobicContact CD1-CE3 4.07Å; L358-W367 HydrophobicContact CD1-CG 3.93Å; L358-W367 HydrophobicContact CD2-CD2 4.16Å; L358-W367 HydrophobicContact CD2-CG 4.34Å | ||
| 359 | P | 83.7 | Confident | 91.6 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -51.2 | 134.7 | -178.8 | -29.6 | 35.7 | 0 | 0 | 0 | 113.9 | Y125 F361 M362 L437 K440 | Y125-P359 VanDerWaalsContact OH-CA 3.31Å; Y125-P359 WeakPolarHBondContact OH-CA 3.34Å; P359-F361 PolarHBondContact O-N 3.35Å; P359-M362 PolarHBondContact O-N 2.9Å; P359-L437 HydrophobicContact CB-CD1 4.47Å; P359-L437 HydrophobicContact CG-CD1 3.85Å; P359-K440 HydrophobicContact CB-CB 3.88Å |
| 360 | N | 84.5 | Confident | 90.8 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | 57.3 | 31.3 | -178.1 | -164 | 50.2 | 0 | 0 | 0 | 114.4 | Y125 Q165 L358 M362 | Y125-N360 PolarHBondContact OH-N 3.31Å; Q165-N360 WeakPolarHBondContact CG-OD1 3.36Å; L358-N360 PolarHBondContact O-N 3.47Å; N360-M362 PolarHBondContact O-N 2.96Å |
| 361 | F | 89.7 | Confident | 90.1 | Very high | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 57.5 | 31.1 | 178.9 | -53.8 | -87.4 | 0 | 0 | 0 | 114.1 | Y125 Q165 E166 I169 W357 L358 P359 | Y125-F361 HydrophobicContact CD1-CE1 4.12Å; Y125-F361 AromaticContact CD1-CE2 3.78Å; Y125-F361 HydrophobicContact CD1-CE2 3.78Å; Y125-F361 AromaticContact CD1-CZ 3.51Å; Y125-F361 HydrophobicContact CD1-CZ 3.51Å; Y125-F361 HydrophobicContact CE1-CE2 4.28Å; Y125-F361 HydrophobicContact CE1-CZ 4.41Å; Y125-F361 HydrophobicContact CG-CE1 4.08Å; Y125-F361 AromaticContact CG-CZ 3.91Å; Y125-F361 HydrophobicContact CG-CZ 3.91Å; Q165-F361 HydrophobicContact CG-CD2 4.26Å; E166-F361 HydrophobicContact CB-CD2 4.28Å; E166-F361 HydrophobicContact CB-CE1 4.3Å; E166-F361 HydrophobicContact CB-CE2 3.42Å; E166-F361 VanDerWaalsContact CB-CE2 3.42Å; E166-F361 HydrophobicContact CB-CZ 3.43Å; E166-F361 VanDerWaalsContact CB-CZ 3.43Å; E166-F361 HydrophobicContact CG-CE1 3.89Å; E166-F361 HydrophobicContact CG-CE2 3.94Å; E166-F361 HydrophobicContact CG-CZ 3.38Å; I169-F361 HydrophobicContact CB-CB 4.26Å; I169-F361 HydrophobicContact CG1-CB 3.97Å; I169-F361 HydrophobicContact CG2-CB 4.1Å; W357-F361 AromaticContact CD2-CD1 3.9Å; W357-F361 HydrophobicContact CD2-CD1 3.9Å; W357-F361 HydrophobicContact CD2-CE1 4.36Å; W357-F361 HydrophobicContact CE3-CB 4.3Å; W357-F361 AromaticContact CE3-CD1 3.71Å; W357-F361 HydrophobicContact CE3-CD1 3.71Å; W357-F361 HydrophobicContact CE3-CG 4.47Å; W357-F361 HydrophobicContact CG-CD1 4.37Å; W357-F361 HydrophobicContact CZ3-CB 4.42Å; W357-F361 HydrophobicContact CZ3-CD1 4.12Å; L358-F361 PolarHBondContact O-N 3.16Å; P359-F361 PolarHBondContact O-N 3.35Å |
| 362 | M | 87.1 | Confident | 89.7 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | trans | -64.7 | 136.3 | 179.4 | -167.8 | -178.7 | -59.2 | 0 | 0 | 111 | L358 P359 N360 T366 W367 | L358-M362 HydrophobicContact CB-CB 4.29Å; L358-M362 WeakPolarHBondContact CB-O 3.38Å; P359-M362 PolarHBondContact O-N 2.9Å; N360-M362 PolarHBondContact O-N 2.96Å; M362-T366 HydrophobicContact CG-CG2 3.67Å; M362-T366 HydrophobicContact SD-CG2 3.84Å; M362-W367 HydrophobicContact CG-CB 4.31Å; M362-W367 VanDerWaalsContact SD-CA 3.55Å; M362-W367 HydrophobicContact SD-CB 3.74Å | ||
| 363 | D | 92.4 | Very high | 89 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | trans | -77.7 | 157.6 | 172.4 | 71.6 | 88.8 | 0 | 0 | 0 | 111.5 | F365 T366 W367 | D363-F365 PolarHBondContact O-N 3.41Å; D363-F365 WeakPolarHBondContact OD1-CA 3.36Å; D363-F365 VanDerWaalsContact OD1-CB 3.25Å; D363-F365 WeakPolarHBondContact OD1-CB 3.23Å; D363-F365 PolarHBondContact OD1-N 3.2Å; D363-T366 PolarHBondContact O-N 3.44Å; D363-T366 PolarHBondContact OD1-N 3.25Å; D363-T366 PolarHBondContact OD1-OG1 2.99Å; D363-T366 WeakPolarHBondContact OD2-CB 3.32Å; D363-T366 PolarHBondContact OD2-OG1 3.12Å; D363-W367 PolarHBondContact O-N 3.22Å | ||
| 364 | V | 92.9 | Very high | 88.3 | Confident | 88 Ų | 88 | 64 Ų | 64 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -22.5 | -175.3 | -63.9 | 0 | 0 | 0 | 0 | 113.8 | L358 S368 | L358-V364 HydrophobicContact CD1-CG1 4.21Å; V364-S368 VanDerWaalsContact O-CB 3.24Å; V364-S368 WeakPolarHBondContact O-CB 3.5Å; V364-S368 PolarHBondContact O-N 3.46Å; V364-S368 PolarHBondContact O-OG 3.26Å |
| 365 | F | 92.9 | Very high | 87.8 | Confident | 155 Ų | 155 | 64.4 Ų | 64.4 | 68% | 0.68 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -74.8 | -50.8 | 174.4 | -61.1 | -71.1 | 0 | 0 | 0 | 109.8 | D363 W367 S368 L369 | D363-F365 PolarHBondContact O-N 3.41Å; D363-F365 WeakPolarHBondContact OD1-CA 3.36Å; D363-F365 VanDerWaalsContact OD1-CB 3.25Å; D363-F365 WeakPolarHBondContact OD1-CB 3.23Å; D363-F365 PolarHBondContact OD1-N 3.2Å; F365-W367 PolarHBondContact O-N 2.97Å; F365-S368 PolarHBondContact O-N 2.97Å; F365-L369 WeakPolarHBondContact O-CB 3.29Å; F365-L369 PolarHBondContact O-N 2.81Å |
| 366 | T | 87.3 | Confident | 87.6 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.8 | -40.4 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.4 | M362 D363 P370 | M362-T366 HydrophobicContact CG-CG2 3.67Å; M362-T366 HydrophobicContact SD-CG2 3.84Å; D363-T366 PolarHBondContact O-N 3.44Å; D363-T366 PolarHBondContact OD1-N 3.25Å; D363-T366 PolarHBondContact OD1-OG1 2.99Å; D363-T366 WeakPolarHBondContact OD2-CB 3.32Å; D363-T366 PolarHBondContact OD2-OG1 3.12Å; T366-P370 WeakPolarHBondContact O-CD 3.47Å |
| 367 | W | 83.8 | Confident | 87.1 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | 177.6 | 175.5 | 57.2 | 0 | 0 | 0 | 113.8 | L358 M362 D363 F365 L437 | L358-W367 HydrophobicContact CD1-CB 3.84Å; L358-W367 HydrophobicContact CD1-CD2 4.01Å; L358-W367 HydrophobicContact CD1-CE3 4.07Å; L358-W367 HydrophobicContact CD1-CG 3.93Å; L358-W367 HydrophobicContact CD2-CD2 4.16Å; L358-W367 HydrophobicContact CD2-CG 4.34Å; M362-W367 HydrophobicContact CG-CB 4.31Å; M362-W367 VanDerWaalsContact SD-CA 3.55Å; M362-W367 HydrophobicContact SD-CB 3.74Å; D363-W367 PolarHBondContact O-N 3.22Å; F365-W367 PolarHBondContact O-N 2.97Å; W367-L437 VanDerWaalsContact NE1-CD2 3.25Å |
| 368 | S | 87.7 | Confident | 86.7 | Confident | 41 Ų | 41 | 59 Ų | 59 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -88.6 | -23.1 | -171.7 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | V364 F365 F371 V372 | V364-S368 VanDerWaalsContact O-CB 3.24Å; V364-S368 WeakPolarHBondContact O-CB 3.5Å; V364-S368 PolarHBondContact O-N 3.46Å; V364-S368 PolarHBondContact O-OG 3.26Å; F365-S368 PolarHBondContact O-N 2.97Å; S368-F371 WeakPolarHBondContact O-CB 3.18Å; S368-F371 PolarHBondContact O-N 2.84Å; S368-F371 VanDerWaalsContact O-N 3.13Å; S368-V372 WeakPolarHBondContact O-CG2 3.35Å; S368-V372 PolarHBondContact O-N 2.89Å |
| 369 | L | 87.2 | Confident | 86.8 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 62% | 0.618 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.3 | -39.4 | -172.6 | -166.4 | 66.9 | 0 | 0 | 0 | 113.7 | F365 F371 V372 G373 | F365-L369 WeakPolarHBondContact O-CB 3.29Å; F365-L369 PolarHBondContact O-N 2.81Å; L369-F371 VanDerWaalsContact C-N 3.33Å; L369-F371 PolarHBondContact O-N 2.77Å; L369-V372 PolarHBondContact O-N 3.44Å; L369-G373 PolarHBondContact O-N 3.29Å |
| 370 | P | 81.7 | Confident | 87 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 172.6 | -24.8 | 35.2 | 0 | 0 | 0 | 112.4 | T366 G373 E374 | T366-P370 WeakPolarHBondContact O-CD 3.47Å; P370-G373 PolarHBondContact O-N 2.98Å; P370-E374 PolarHBondContact O-N 3.32Å |
| 371 | F | 84.3 | Confident | 86.7 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 178.3 | -179.6 | -83.3 | 0 | 0 | 0 | 112 | S368 L369 G373 E374 K375 R430 | S368-F371 WeakPolarHBondContact O-CB 3.18Å; S368-F371 PolarHBondContact O-N 2.84Å; S368-F371 VanDerWaalsContact O-N 3.13Å; L369-F371 VanDerWaalsContact C-N 3.33Å; L369-F371 PolarHBondContact O-N 2.77Å; F371-G373 VanDerWaalsContact C-N 3.33Å; F371-G373 PolarHBondContact O-N 3.34Å; F371-E374 PolarHBondContact O-N 3.2Å; F371-K375 HydrophobicContact CD1-CG 4.06Å; F371-K375 HydrophobicContact CE1-CG 3.58Å; F371-K375 HydrophobicContact CE2-CG 4.44Å; F371-K375 HydrophobicContact CZ-CD 4.48Å; F371-K375 HydrophobicContact CZ-CG 3.79Å; F371-K375 PolarHBondContact O-N 2.94Å; F371-R430 VanDerWaalsContact CE2-NH2 3.31Å |
| 372 | V | 89.2 | Confident | 86.5 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 42% | 0.418 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | S368 L369 E374 K375 V376 | S368-V372 WeakPolarHBondContact O-CG2 3.35Å; S368-V372 PolarHBondContact O-N 2.89Å; L369-V372 PolarHBondContact O-N 3.44Å; V372-E374 VanDerWaalsContact C-N 3.33Å; V372-E374 PolarHBondContact O-N 3.38Å; V372-K375 PolarHBondContact O-N 3.05Å; V372-V376 HydrophobicContact CG1-CG2 4.19Å; V372-V376 WeakPolarHBondContact O-CB 3.31Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.34Å; V372-V376 PolarHBondContact O-N 2.97Å |
| 373 | G | 83.2 | Confident | 86.3 | Confident | 11 Ų | 11 | 74 Ų | 74 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L369 P370 F371 T377 F426 | L369-G373 PolarHBondContact O-N 3.29Å; P370-G373 PolarHBondContact O-N 2.98Å; F371-G373 VanDerWaalsContact C-N 3.33Å; F371-G373 PolarHBondContact O-N 3.34Å; G373-T377 WeakPolarHBondContact O-CB 3.37Å; G373-T377 PolarHBondContact O-N 2.85Å; G373-T377 VanDerWaalsContact O-N 3.14Å; G373-T377 PolarHBondContact O-OG1 3.05Å; G373-F426 VanDerWaalsContact C-CG 3.48Å |
| 374 | E | 81.2 | Confident | 85.6 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 13% | 0.126 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -55.1 | 174.6 | -178.2 | -171.2 | 109.7 | 0 | 0 | 111.1 | P370 F371 V372 V376 T377 E378 F426 R430 | P370-E374 PolarHBondContact O-N 3.32Å; F371-E374 PolarHBondContact O-N 3.2Å; V372-E374 VanDerWaalsContact C-N 3.33Å; V372-E374 PolarHBondContact O-N 3.38Å; E374-V376 VanDerWaalsContact C-N 3.35Å; E374-V376 PolarHBondContact O-N 3.47Å; E374-T377 CarbonylContact O-C 3.55Å; E374-T377 PolarHBondContact O-N 3.16Å; E374-E378 WeakPolarHBondContact O-CB 3.18Å; E374-E378 PolarHBondContact O-N 3.01Å; E374-F426 HydrophobicContact CB-CB 4.17Å; E374-R430 HydrophobicContact CB-CB 4.4Å; E374-R430 IonicContact OE1-CZ 3.88Å; E374-R430 IonicContact OE1-NE 2.81Å; E374-R430 IonicContact OE1-NH1 3.35Å; E374-R430 PolarHBondContact OE1-NH1 3.17Å; E374-R430 VanDerWaalsContact OE2-CB 3.32Å; E374-R430 WeakPolarHBondContact OE2-CB 3.36Å; E374-R430 WeakPolarHBondContact OE2-CD 3.25Å; E374-R430 IonicContact OE2-NE 3.31Å; E374-R430 IonicContact OE2-NH1 3.96Å |
| 375 | K | 87.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | -171.6 | -69.2 | -42.8 | -168.7 | -157.4 | 0 | 113.3 | F371 V372 T377 E378 M379 R430 | F371-K375 HydrophobicContact CD1-CG 4.06Å; F371-K375 HydrophobicContact CE1-CG 3.58Å; F371-K375 HydrophobicContact CE2-CG 4.44Å; F371-K375 HydrophobicContact CZ-CD 4.48Å; F371-K375 HydrophobicContact CZ-CG 3.79Å; F371-K375 PolarHBondContact O-N 2.94Å; V372-K375 PolarHBondContact O-N 3.05Å; K375-T377 VanDerWaalsContact C-N 3.32Å; K375-E378 WeakPolarHBondContact CD-OE2 3.32Å; K375-E378 WeakPolarHBondContact CE-OE2 3.43Å; K375-E378 IonicContact NZ-OE2 2.98Å; K375-E378 PolarHBondContact NZ-OE2 2.88Å; K375-M379 WeakPolarHBondContact O-CB 2.78Å; K375-M379 PolarHBondContact O-N 2.88Å; K375-R430 VanDerWaalsContact NZ-NH1 3.16Å |
| 376 | V | 91 | Very high | 83.9 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 47% | 0.473 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | V372 E374 M379 L380 | V372-V376 HydrophobicContact CG1-CG2 4.19Å; V372-V376 WeakPolarHBondContact O-CB 3.31Å; V372-V376 VanDerWaalsContact O-CG2 3.3Å; V372-V376 WeakPolarHBondContact O-CG2 3.34Å; V372-V376 PolarHBondContact O-N 2.97Å; E374-V376 VanDerWaalsContact C-N 3.35Å; E374-V376 PolarHBondContact O-N 3.47Å; V376-M379 WeakPolarHBondContact O-CB 3.46Å; V376-M379 PolarHBondContact O-N 3.46Å; V376-L380 HydrophobicContact CG1-CD1 4.35Å; V376-L380 VanDerWaalsContact O-CG 3.31Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.13Å |
| 377 | T | 82.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.6 | -38.9 | -179.2 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | G373 E374 K375 M379 L380 V381 I419 M422 A423 F426 | G373-T377 WeakPolarHBondContact O-CB 3.37Å; G373-T377 PolarHBondContact O-N 2.85Å; G373-T377 VanDerWaalsContact O-N 3.14Å; G373-T377 PolarHBondContact O-OG1 3.05Å; E374-T377 CarbonylContact O-C 3.55Å; E374-T377 PolarHBondContact O-N 3.16Å; K375-T377 VanDerWaalsContact C-N 3.32Å; T377-M379 VanDerWaalsContact C-N 3.35Å; T377-L380 PolarHBondContact O-N 2.84Å; T377-V381 WeakPolarHBondContact O-CG2 3.29Å; T377-V381 PolarHBondContact O-N 3.36Å; T377-I419 HydrophobicContact CG2-CG2 4.15Å; T377-M422 HydrophobicContact CG2-CB 3.92Å; T377-A423 VanDerWaalsContact CG2-CA 3.43Å; T377-A423 HydrophobicContact CG2-CB 3.7Å; T377-A423 VanDerWaalsContact CG2-N 3.3Å; T377-F426 WeakPolarHBondContact OG1-CD2 3.28Å |
| 378 | E | 84.5 | Confident | 81.6 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 171.5 | -175.5 | -177.3 | 178.5 | 0 | 0 | 110.9 | E374 K375 L380 V381 H382 | E374-E378 WeakPolarHBondContact O-CB 3.18Å; E374-E378 PolarHBondContact O-N 3.01Å; K375-E378 WeakPolarHBondContact CD-OE2 3.32Å; K375-E378 WeakPolarHBondContact CE-OE2 3.43Å; K375-E378 IonicContact NZ-OE2 2.98Å; K375-E378 PolarHBondContact NZ-OE2 2.88Å; E378-L380 PolarHBondContact O-N 2.72Å; E378-V381 WeakPolarHBondContact O-CB 3.25Å; E378-V381 PolarHBondContact O-N 2.85Å; E378-H382 PolarHBondContact O-CD2 2.77Å; E378-H382 PolarHBondContact O-N 3.49Å |
| 379 | M | 89.3 | Confident | 80.2 | Confident | 115 Ų | 115 | 72 Ų | 72 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58 | -46 | 173.8 | 178.1 | -176.8 | 175 | 0 | 0 | 111.9 | K375 V376 T377 V381 H382 L383 | K375-M379 WeakPolarHBondContact O-CB 2.78Å; K375-M379 PolarHBondContact O-N 2.88Å; V376-M379 WeakPolarHBondContact O-CB 3.46Å; V376-M379 PolarHBondContact O-N 3.46Å; T377-M379 VanDerWaalsContact C-N 3.35Å; M379-V381 VanDerWaalsContact C-N 3.33Å; M379-V381 PolarHBondContact O-N 2.7Å; M379-H382 PolarHBondContact O-N 3.14Å; M379-L383 HydrophobicContact CE-CD1 4.05Å; M379-L383 HydrophobicContact CG-CD1 4.26Å; M379-L383 WeakPolarHBondContact O-CG 3.46Å; M379-L383 PolarHBondContact O-N 3.32Å |
| 380 | L | 86.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 177.8 | -68.9 | 174.9 | 0 | 0 | 0 | 112.3 | V376 T377 E378 L383 L384 I419 | V376-L380 HydrophobicContact CG1-CD1 4.35Å; V376-L380 VanDerWaalsContact O-CG 3.31Å; V376-L380 WeakPolarHBondContact O-CG 3.25Å; V376-L380 PolarHBondContact O-N 3.13Å; T377-L380 PolarHBondContact O-N 2.84Å; E378-L380 PolarHBondContact O-N 2.72Å; L380-L383 PolarHBondContact O-N 2.98Å; L380-L384 WeakPolarHBondContact O-CB 3.47Å; L380-L384 VanDerWaalsContact O-CG 3.29Å; L380-L384 WeakPolarHBondContact O-CG 3.33Å; L380-L384 PolarHBondContact O-N 2.74Å; L380-I419 HydrophobicContact CB-CG2 4.01Å |
| 381 | V | 79.6 | Confident | 77.5 | Confident | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | T377 E378 M379 L383 L384 N385 I419 A423 | T377-V381 WeakPolarHBondContact O-CG2 3.29Å; T377-V381 PolarHBondContact O-N 3.36Å; E378-V381 WeakPolarHBondContact O-CB 3.25Å; E378-V381 PolarHBondContact O-N 2.85Å; M379-V381 VanDerWaalsContact C-N 3.33Å; M379-V381 PolarHBondContact O-N 2.7Å; V381-L383 PolarHBondContact O-N 2.68Å; V381-L384 PolarHBondContact O-N 2.62Å; V381-N385 WeakPolarHBondContact O-CB 3.1Å; V381-N385 VanDerWaalsContact O-CG 3.24Å; V381-N385 PolarHBondContact O-N 3.2Å; V381-N385 PolarHBondContact O-ND2 2.99Å; V381-I419 HydrophobicContact CG2-CG2 3.67Å; V381-A423 HydrophobicContact CG2-CB 3.87Å |
| 382 | H | 85.1 | Confident | 76 | Confident | 115 Ų | 115 | 73.5 Ų | 73.5 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.1 | -75.6 | -59.8 | 0 | 0 | 0 | 113.1 | E378 M379 L384 N385 I386 | E378-H382 PolarHBondContact O-CD2 2.77Å; E378-H382 PolarHBondContact O-N 3.49Å; M379-H382 PolarHBondContact O-N 3.14Å; H382-L384 VanDerWaalsContact C-N 3.31Å; H382-L384 PolarHBondContact O-N 2.84Å; H382-N385 PolarHBondContact O-N 3Å; H382-I386 PolarHBondContact O-N 3.21Å |
| 383 | L | 83.7 | Confident | 74.3 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 176 | -73.4 | 174.4 | 0 | 0 | 0 | 112.5 | M379 L380 V381 I386 | M379-L383 HydrophobicContact CE-CD1 4.05Å; M379-L383 HydrophobicContact CG-CD1 4.26Å; M379-L383 WeakPolarHBondContact O-CG 3.46Å; M379-L383 PolarHBondContact O-N 3.32Å; L380-L383 PolarHBondContact O-N 2.98Å; V381-L383 PolarHBondContact O-N 2.68Å; L383-I386 WeakPolarHBondContact O-CB 3.13Å |
| 384 | L | 76 | Confident | 72.8 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 24% | 0.241 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76.8 | -29 | 177.9 | -71.9 | 175.6 | 0 | 0 | 0 | 113.2 | L380 V381 H382 I386 C387 I416 I419 | L380-L384 WeakPolarHBondContact O-CB 3.47Å; L380-L384 VanDerWaalsContact O-CG 3.29Å; L380-L384 WeakPolarHBondContact O-CG 3.33Å; L380-L384 PolarHBondContact O-N 2.74Å; V381-L384 PolarHBondContact O-N 2.62Å; H382-L384 VanDerWaalsContact C-N 3.31Å; H382-L384 PolarHBondContact O-N 2.84Å; L384-I386 PolarHBondContact O-N 3.29Å; L384-C387 PolarHBondContact O-N 2.87Å; L384-I416 HydrophobicContact CB-CG1 4.24Å; L384-I416 HydrophobicContact CD1-CG1 4.05Å; L384-I416 HydrophobicContact CD2-CG1 4.45Å; L384-I419 HydrophobicContact CD1-CB 4.15Å; L384-I419 HydrophobicContact CD1-CD1 3.34Å; L384-I419 HydrophobicContact CD1-CG1 4.32Å; L384-I419 HydrophobicContact CD1-CG2 4.16Å |
| 385 | N | 75.6 | Confident | 71.2 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -74.3 | -10.6 | 175.1 | -73 | -14.1 | 0 | 0 | 0 | 113.3 | V381 H382 C387 | V381-N385 WeakPolarHBondContact O-CB 3.1Å; V381-N385 VanDerWaalsContact O-CG 3.24Å; V381-N385 PolarHBondContact O-N 3.2Å; V381-N385 PolarHBondContact O-ND2 2.99Å; H382-N385 PolarHBondContact O-N 3Å; N385-C387 PolarHBondContact O-N 3.25Å |
| 386 | I | 74.3 | Confident | 69.4 | Low | 121 Ų | 121 | 88 Ų | 88 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.8 | 169.8 | -105.3 | 165.6 | 0 | 0 | 0 | 111.1 | H382 L383 L384 S388 | H382-I386 PolarHBondContact O-N 3.21Å; L383-I386 WeakPolarHBondContact O-CB 3.13Å; L384-I386 PolarHBondContact O-N 3.29Å; I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 2.75Å |
| 387 | C | 64.6 | Low | 67 | Low | 56 Ų | 56 | 91.7 Ų | 91.7 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -71.9 | 93.6 | 170.9 | -67 | 0 | 0 | 0 | 0 | 108.9 | L384 N385 E391 | L384-C387 PolarHBondContact O-N 2.87Å; N385-C387 PolarHBondContact O-N 3.25Å; C387-E391 WeakPolarHBondContact CA-OE2 3.27Å |
| 388 | S | 59 | Low | 65.3 | Low | 48 Ų | 48 | 98.2 Ų | 98.2 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | trans | -60.2 | 150.5 | 170.5 | 47 | 0 | 0 | 0 | 0 | 109.6 | I386 D390 E391 L392 | I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 2.75Å; S388-D390 PolarHBondContact O-N 3.2Å; S388-E391 PolarHBondContact O-N 3.47Å; S388-L392 PolarHBondContact O-N 3.12Å | ||
| 389 | D | 59.5 | Low | 63.2 | Low | 129 Ų | 129 | 101.1 Ų | 101.1 | 69% | 0.69 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -51 | -32 | 171.7 | -76.8 | -34.1 | 0 | 0 | 0 | 110.1 | E391 L392 M393 | D389-E391 PolarHBondContact O-N 2.86Å; D389-L392 CarbonylContact O-C 3.52Å; D389-L392 WeakPolarHBondContact O-CB 3.45Å; D389-L392 PolarHBondContact O-N 3.12Å; D389-L392 VanDerWaalsContact O-N 3.11Å; D389-M393 VanDerWaalsContact O-CB 3.27Å; D389-M393 WeakPolarHBondContact O-CB 3.37Å; D389-M393 WeakPolarHBondContact O-CG 3.49Å; D389-M393 PolarHBondContact O-N 3.43Å |
| 390 | D | 55.1 | Low | 60.9 | Low | 119 Ų | 119 | 104.3 Ų | 104.3 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.6 | -37.4 | 175.2 | -61.1 | -22.8 | 0 | 0 | 0 | 114 | S388 L392 M393 Q394 | S388-D390 PolarHBondContact O-N 3.2Å; D390-L392 VanDerWaalsContact C-N 3.31Å; D390-M393 CarbonylContact O-C 3.5Å; D390-M393 PolarHBondContact O-N 2.77Å; D390-Q394 PolarHBondContact O-N 2.79Å |
| 391 | E | 56.5 | Low | 58.6 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.7 | -24.1 | 173.9 | -74.1 | -177.2 | 172.1 | 0 | 0 | 112.7 | C387 S388 D389 | C387-E391 WeakPolarHBondContact CA-OE2 3.27Å; S388-E391 PolarHBondContact O-N 3.47Å; D389-E391 PolarHBondContact O-N 2.86Å |
| 392 | L | 52.3 | Low | 56.9 | Low | 39 Ų | 39 | 111.5 Ų | 111.5 | 20% | 0.204 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -83.1 | -17.9 | 171.5 | -70.8 | 166.2 | 0 | 0 | 0 | 112.6 | S388 D389 D390 K409 I412 | S388-L392 PolarHBondContact O-N 3.12Å; D389-L392 CarbonylContact O-C 3.52Å; D389-L392 WeakPolarHBondContact O-CB 3.45Å; D389-L392 PolarHBondContact O-N 3.12Å; D389-L392 VanDerWaalsContact O-N 3.11Å; D390-L392 VanDerWaalsContact C-N 3.31Å; L392-K409 WeakPolarHBondContact O-CE 3.44Å; L392-K409 PolarHBondContact O-NZ 2.64Å; L392-I412 HydrophobicContact CD2-CD1 4.46Å; L392-I412 HydrophobicContact CD2-CG2 4.45Å |
| 393 | M | 53 | Low | 55.4 | Low | 139 Ų | 139 | 109.4 Ų | 109.4 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -104.1 | -12.3 | -177.2 | -65.1 | -76.1 | -77.8 | 0 | 0 | 113.1 | D389 D390 D395 | D389-M393 VanDerWaalsContact O-CB 3.27Å; D389-M393 WeakPolarHBondContact O-CB 3.37Å; D389-M393 WeakPolarHBondContact O-CG 3.49Å; D389-M393 PolarHBondContact O-N 3.43Å; D390-M393 CarbonylContact O-C 3.5Å; D390-M393 PolarHBondContact O-N 2.77Å; M393-D395 VanDerWaalsContact C-N 3.27Å; M393-D395 PolarHBondContact O-N 2.89Å |
| 394 | Q | 51.7 | Low | 54 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | trans | -66.5 | 93.8 | 162.3 | -85.8 | -176.2 | 10.2 | 0 | 0 | 108.3 | D390 G396 | D390-Q394 PolarHBondContact O-N 2.79Å; Q394-G396 VanDerWaalsContact C-N 3.26Å; Q394-G396 PolarHBondContact O-N 3.45Å | ||
| 395 | D | 49 | Very low | 53.1 | Low | 134 Ų | 134 | 110.1 Ų | 110.1 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | trans | -57.9 | 99.9 | 156.3 | -69.6 | -30.5 | 0 | 0 | 0 | 106.1 | M393 D397 K409 | M393-D395 VanDerWaalsContact C-N 3.27Å; M393-D395 PolarHBondContact O-N 2.89Å; D395-D397 PolarHBondContact O-N 2.95Å; D395-K409 IonicContact OD1-NZ 2.86Å | ||
| 396 | G | 47.9 | Very low | 52.6 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | trans | -49.7 | 132.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q394 D398 | Q394-G396 VanDerWaalsContact C-N 3.26Å; Q394-G396 PolarHBondContact O-N 3.45Å; G396-D398 PolarHBondContact O-N 3.26Å | ||
| 397 | D | 42.3 | Very low | 52.3 | Low | 156 Ų | 156 | 105.9 Ų | 105.9 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -65.6 | 45.2 | -176.9 | -155.6 | 15.4 | 0 | 0 | 0 | 112.2 | D395 | D395-D397 PolarHBondContact O-N 2.95Š|
| 398 | D | 45.3 | Very low | 52.4 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -99.8 | 85.9 | 173.2 | -75.5 | -31.1 | 0 | 0 | 0 | 107 | G396 F400 | G396-D398 PolarHBondContact O-N 3.26Å; D398-F400 PolarHBondContact O-N 2.88Å | ||
| 399 | T | 40.8 | Very low | 52.8 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 84% | 0.84 | 64% | 0.638 | S | S | * | * | trans | -50.3 | 82.2 | 145.3 | 31.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 400 | F | 40.2 | Very low | 53.4 | Low | 182 Ų | 182 | 113.2 Ų | 113.2 | 80% | 0.798 | 64% | 0.635 | S | S | * | * | trans | -134.5 | 101.1 | 163 | -125.3 | -90 | 0 | 0 | 0 | 108.3 | D398 G402 | D398-F400 PolarHBondContact O-N 2.88Å; F400-G402 PolarHBondContact O-N 3.49Å | ||
| 401 | E | 39.2 | Very low | 54.4 | Low | 200 Ų | 200 | 111.2 Ų | 111.2 | 94% | 0.935 | 63% | 0.627 | S | S | * | * | trans | -48.9 | 122.1 | 165.2 | -67.9 | -178 | 142.7 | 0 | 0 | 109.8 | ||||
| 402 | G | 44 | Very low | 55.1 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 135.2 | 88.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F400 A404 | F400-G402 PolarHBondContact O-N 3.49Å; G402-A404 PolarHBondContact O-N 2.97Å |
| 403 | G | 52.6 | Low | 56.1 | Low | 71 Ų | 71 | 113.3 Ų | 113.3 | 73% | 0.732 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 50.5 | -24.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123 | P405 | G403-P405 VanDerWaalsContact C-CD 3.5Š|
| 404 | A | 54.7 | Low | 57.2 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G402 S406 A407 R408 | G402-A404 PolarHBondContact O-N 2.97Å; A404-S406 VanDerWaalsContact C-N 3.31Å; A404-S406 PolarHBondContact O-N 2.78Å; A404-A407 PolarHBondContact O-N 3.2Å; A404-R408 PolarHBondContact O-N 3.42Å |
| 405 | P | 57.1 | Low | 58.4 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.6 | -36 | -178.8 | -22 | 31.8 | 0 | 0 | 0 | 112.9 | G403 R408 K409 | G403-P405 VanDerWaalsContact C-CD 3.5Å; P405-R408 PolarHBondContact O-N 3.46Å; P405-K409 WeakPolarHBondContact O-CG 3.42Å; P405-K409 PolarHBondContact O-N 3.41Å; P405-K409 VanDerWaalsContact O-N 3.15Å |
| 406 | S | 65 | Low | 59.6 | Low | 83 Ų | 83 | 104 Ų | 104 | 58% | 0.58 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -42.5 | -177.7 | -165.6 | 0 | 0 | 0 | 0 | 112 | A404 R408 K409 E410 | A404-S406 VanDerWaalsContact C-N 3.31Å; A404-S406 PolarHBondContact O-N 2.78Å; S406-R408 VanDerWaalsContact C-N 3.33Å; S406-R408 PolarHBondContact O-N 3.25Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-E410 PolarHBondContact O-N 3.48Å |
| 407 | A | 68 | Low | 60.8 | Low | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A404 E410 V411 | A404-A407 PolarHBondContact O-N 3.2Å; A407-E410 PolarHBondContact O-N 2.94Å; A407-V411 VanDerWaalsContact O-CG2 3.28Å; A407-V411 WeakPolarHBondContact O-CG2 3.24Å; A407-V411 PolarHBondContact O-N 2.93Å |
| 408 | R | 67.3 | Low | 62.4 | Low | 193 Ų | 193 | 104.3 Ų | 104.3 | 73% | 0.728 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 176.6 | -168.9 | 174.4 | -178.7 | 175.3 | -1.3 | 111.9 | A404 P405 S406 E410 V411 I412 | A404-R408 PolarHBondContact O-N 3.42Å; P405-R408 PolarHBondContact O-N 3.46Å; S406-R408 VanDerWaalsContact C-N 3.33Å; S406-R408 PolarHBondContact O-N 3.25Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 3.24Å; R408-V411 PolarHBondContact O-N 2.83Å; R408-I412 HydrophobicContact CG-CD1 4.34Å; R408-I412 WeakPolarHBondContact O-CG1 3.43Å; R408-I412 PolarHBondContact O-N 2.88Å; R408-I412 VanDerWaalsContact O-N 3.08Å |
| 409 | K | 67.1 | Low | 63.8 | Low | 62 Ų | 62 | 99.1 Ų | 99.1 | 27% | 0.27 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 174.4 | -71.1 | -173.5 | -170.6 | -162.3 | 0 | 111 | L392 D395 P405 S406 I412 R413 | L392-K409 WeakPolarHBondContact O-CE 3.44Å; L392-K409 PolarHBondContact O-NZ 2.64Å; D395-K409 IonicContact OD1-NZ 2.86Å; P405-K409 WeakPolarHBondContact O-CG 3.42Å; P405-K409 PolarHBondContact O-N 3.41Å; P405-K409 VanDerWaalsContact O-N 3.15Å; S406-K409 PolarHBondContact O-N 3.42Å; K409-I412 PolarHBondContact O-N 3.24Å; K409-R413 WeakPolarHBondContact O-CG 3.37Å; K409-R413 PolarHBondContact O-N 3Å |
| 410 | E | 73.1 | Confident | 65.3 | Low | 131 Ų | 131 | 94.2 Ų | 94.2 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -40.6 | 178.8 | -167.6 | 164.2 | -154.8 | 0 | 0 | 112.8 | S406 A407 R408 I412 R413 A414 | S406-E410 PolarHBondContact O-N 3.48Å; A407-E410 PolarHBondContact O-N 2.94Å; R408-E410 VanDerWaalsContact C-N 3.3Å; R408-E410 PolarHBondContact O-N 3.24Å; E410-I412 VanDerWaalsContact C-N 3.34Å; E410-I412 PolarHBondContact O-N 3.21Å; E410-R413 PolarHBondContact O-N 2.86Å; E410-A414 WeakPolarHBondContact O-CB 3.34Å; E410-A414 PolarHBondContact O-N 3.25Å |
| 411 | V | 75.5 | Confident | 66.9 | Low | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | A407 R408 A414 K415 | A407-V411 VanDerWaalsContact O-CG2 3.28Å; A407-V411 WeakPolarHBondContact O-CG2 3.24Å; A407-V411 PolarHBondContact O-N 2.93Å; R408-V411 PolarHBondContact O-N 2.83Å; V411-A414 PolarHBondContact O-N 2.91Å; V411-K415 HydrophobicContact CG1-CD 4.31Å; V411-K415 WeakPolarHBondContact O-CG 3.22Å; V411-K415 PolarHBondContact O-N 3.43Å |
| 412 | I | 71.7 | Confident | 68.5 | Low | 53 Ų | 53 | 88 Ų | 88 | 27% | 0.272 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 177.8 | -66.3 | 167.9 | 0 | 0 | 0 | 110.3 | L392 R408 K409 E410 A414 K415 I416 | L392-I412 HydrophobicContact CD2-CD1 4.46Å; L392-I412 HydrophobicContact CD2-CG2 4.45Å; R408-I412 HydrophobicContact CG-CD1 4.34Å; R408-I412 WeakPolarHBondContact O-CG1 3.43Å; R408-I412 PolarHBondContact O-N 2.88Å; R408-I412 VanDerWaalsContact O-N 3.08Å; K409-I412 PolarHBondContact O-N 3.24Å; E410-I412 VanDerWaalsContact C-N 3.34Å; E410-I412 PolarHBondContact O-N 3.21Å; I412-A414 VanDerWaalsContact C-N 3.3Å; I412-A414 PolarHBondContact O-N 3.47Å; I412-K415 PolarHBondContact O-N 2.85Å; I412-K415 VanDerWaalsContact O-N 3.16Å; I412-I416 HydrophobicContact CG2-CD1 3.89Å; I412-I416 HydrophobicContact CG2-CG1 4.44Å; I412-I416 WeakPolarHBondContact O-CG1 3.38Å; I412-I416 PolarHBondContact O-N 3.43Å |
| 413 | R | 72.4 | Confident | 69.8 | Low | 140 Ų | 140 | 86.2 Ų | 86.2 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 174.6 | -72.6 | -179.6 | -169.1 | 160.6 | 1.9 | 112.4 | K409 E410 I416 R417 | K409-R413 WeakPolarHBondContact O-CG 3.37Å; K409-R413 PolarHBondContact O-N 3Å; E410-R413 PolarHBondContact O-N 2.86Å; R413-I416 PolarHBondContact O-N 2.93Å; R413-R417 WeakPolarHBondContact O-CB 3.45Å; R413-R417 WeakPolarHBondContact O-CG 3.49Å; R413-R417 PolarHBondContact O-N 3.21Å |
| 414 | A | 76.7 | Confident | 70.7 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E410 V411 I412 R417 A418 | E410-A414 WeakPolarHBondContact O-CB 3.34Å; E410-A414 PolarHBondContact O-N 3.25Å; V411-A414 PolarHBondContact O-N 2.91Å; I412-A414 VanDerWaalsContact C-N 3.3Å; I412-A414 PolarHBondContact O-N 3.47Å; A414-R417 PolarHBondContact O-N 2.81Å; A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 3.16Å |
| 415 | K | 76.1 | Confident | 71.6 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 174.6 | -73.5 | 177.7 | 178.7 | -174.3 | 0 | 112.2 | V411 I412 R417 A418 I419 | V411-K415 HydrophobicContact CG1-CD 4.31Å; V411-K415 WeakPolarHBondContact O-CG 3.22Å; V411-K415 PolarHBondContact O-N 3.43Å; I412-K415 PolarHBondContact O-N 2.85Å; I412-K415 VanDerWaalsContact O-N 3.16Å; K415-R417 PolarHBondContact O-N 3.28Å; K415-A418 PolarHBondContact O-N 3.11Å; K415-I419 WeakPolarHBondContact O-CB 3.49Å; K415-I419 WeakPolarHBondContact O-CG1 3.28Å; K415-I419 PolarHBondContact O-N 3.1Å |
| 416 | I | 74.1 | Confident | 72.4 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 175.6 | -67.5 | 167.8 | 0 | 0 | 0 | 110.4 | L384 I412 R413 A418 I419 G420 | L384-I416 HydrophobicContact CB-CG1 4.24Å; L384-I416 HydrophobicContact CD1-CG1 4.05Å; L384-I416 HydrophobicContact CD2-CG1 4.45Å; I412-I416 HydrophobicContact CG2-CD1 3.89Å; I412-I416 HydrophobicContact CG2-CG1 4.44Å; I412-I416 WeakPolarHBondContact O-CG1 3.38Å; I412-I416 PolarHBondContact O-N 3.43Å; R413-I416 PolarHBondContact O-N 2.93Å; I416-A418 PolarHBondContact O-N 3.36Å; I416-I419 PolarHBondContact O-N 3.22Å; I416-G420 PolarHBondContact O-N 3.21Å |
| 417 | R | 73.9 | Confident | 72.7 | Confident | 170 Ų | 170 | 89.4 Ų | 89.4 | 64% | 0.642 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 177 | -72.7 | 177.1 | -168.9 | 154.9 | 0.9 | 112.7 | R413 A414 K415 K421 | R413-R417 WeakPolarHBondContact O-CB 3.45Å; R413-R417 WeakPolarHBondContact O-CG 3.49Å; R413-R417 PolarHBondContact O-N 3.21Å; A414-R417 PolarHBondContact O-N 2.81Å; K415-R417 PolarHBondContact O-N 3.28Å; R417-K421 WeakPolarHBondContact O-CG 3.49Å; R417-K421 PolarHBondContact O-N 3.2Å |
| 418 | A | 75 | Confident | 73 | Confident | 48 Ų | 48 | 89.4 Ų | 89.4 | 40% | 0.397 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A414 K415 I416 K421 M422 | A414-A418 WeakPolarHBondContact O-CB 3.41Å; A414-A418 PolarHBondContact O-N 3.16Å; K415-A418 PolarHBondContact O-N 3.11Å; I416-A418 PolarHBondContact O-N 3.36Å; A418-K421 WeakPolarHBondContact O-CB 3.34Å; A418-K421 PolarHBondContact O-N 2.88Å; A418-M422 WeakPolarHBondContact O-CG 3.37Å; A418-M422 PolarHBondContact O-N 2.76Å |
| 419 | I | 75.3 | Confident | 73.2 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 16% | 0.164 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 178.3 | -73.4 | 163.7 | 0 | 0 | 0 | 111.1 | T377 L380 V381 L384 K415 I416 K421 M422 A423 | T377-I419 HydrophobicContact CG2-CG2 4.15Å; L380-I419 HydrophobicContact CB-CG2 4.01Å; V381-I419 HydrophobicContact CG2-CG2 3.67Å; L384-I419 HydrophobicContact CD1-CB 4.15Å; L384-I419 HydrophobicContact CD1-CD1 3.34Å; L384-I419 HydrophobicContact CD1-CG1 4.32Å; L384-I419 HydrophobicContact CD1-CG2 4.16Å; K415-I419 WeakPolarHBondContact O-CB 3.49Å; K415-I419 WeakPolarHBondContact O-CG1 3.28Å; K415-I419 PolarHBondContact O-N 3.1Å; I416-I419 PolarHBondContact O-N 3.22Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 2.67Å; I419-M422 PolarHBondContact O-N 3.37Å; I419-A423 WeakPolarHBondContact O-CB 3.39Å; I419-A423 PolarHBondContact O-N 3.43Å |
| 420 | G | 72.5 | Confident | 73.5 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I416 R424 | I416-G420 PolarHBondContact O-N 3.21Å; G420-R424 PolarHBondContact O-N 3.29Å |
| 421 | K | 74.2 | Confident | 73.4 | Confident | 156 Ų | 156 | 80 Ų | 80 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -45.3 | 171.5 | -76.1 | 179.3 | -179.9 | -175.5 | 0 | 111.3 | R417 A418 I419 A423 R424 V425 | R417-K421 WeakPolarHBondContact O-CG 3.49Å; R417-K421 PolarHBondContact O-N 3.2Å; A418-K421 WeakPolarHBondContact O-CB 3.34Å; A418-K421 PolarHBondContact O-N 2.88Å; I419-K421 VanDerWaalsContact C-N 3.33Å; I419-K421 PolarHBondContact O-N 2.67Å; K421-A423 VanDerWaalsContact C-N 3.32Å; K421-A423 PolarHBondContact O-N 3.02Å; K421-R424 PolarHBondContact O-N 3.01Å; K421-V425 WeakPolarHBondContact O-CG2 3.4Å; K421-V425 PolarHBondContact O-N 3.14Å |
| 422 | M | 71.8 | Confident | 73 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.6 | -69.6 | 178.4 | 75.1 | 0 | 0 | 111.6 | T377 A418 I419 R424 V425 F426 | T377-M422 HydrophobicContact CG2-CB 3.92Å; A418-M422 WeakPolarHBondContact O-CG 3.37Å; A418-M422 PolarHBondContact O-N 2.76Å; I419-M422 PolarHBondContact O-N 3.37Å; M422-R424 VanDerWaalsContact C-N 3.28Å; M422-R424 PolarHBondContact O-N 3.49Å; M422-V425 PolarHBondContact O-N 3.41Å; M422-V425 VanDerWaalsContact O-N 3.16Å; M422-F426 HydrophobicContact CB-CD2 4.38Å; M422-F426 HydrophobicContact CB-CE2 4.48Å; M422-F426 HydrophobicContact CE-CE2 3.98Å; M422-F426 VanDerWaalsContact O-CD2 3.28Å; M422-F426 WeakPolarHBondContact O-CD2 3.21Å; M422-F426 PolarHBondContact O-N 2.88Å |
| 423 | A | 71.9 | Confident | 72.9 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 20% | 0.198 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T377 V381 I419 K421 S427 | T377-A423 VanDerWaalsContact CG2-CA 3.43Å; T377-A423 HydrophobicContact CG2-CB 3.7Å; T377-A423 VanDerWaalsContact CG2-N 3.3Å; V381-A423 HydrophobicContact CG2-CB 3.87Å; I419-A423 WeakPolarHBondContact O-CB 3.39Å; I419-A423 PolarHBondContact O-N 3.43Å; K421-A423 VanDerWaalsContact C-N 3.32Å; K421-A423 PolarHBondContact O-N 3.02Å; A423-S427 WeakPolarHBondContact O-CB 3.33Å; A423-S427 PolarHBondContact O-N 2.96Å |
| 424 | R | 71.1 | Confident | 72.7 | Confident | 195 Ų | 195 | 76.2 Ų | 76.2 | 74% | 0.736 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 176 | -166.1 | 179.8 | -61 | -179.2 | -0.5 | 112.1 | G420 K421 M422 V428 | G420-R424 PolarHBondContact O-N 3.29Å; K421-R424 PolarHBondContact O-N 3.01Å; M422-R424 VanDerWaalsContact C-N 3.28Å; M422-R424 PolarHBondContact O-N 3.49Å; R424-V428 VanDerWaalsContact O-CG2 3.26Å; R424-V428 WeakPolarHBondContact O-CG2 3.13Å; R424-V428 PolarHBondContact O-N 3.32Å |
| 425 | V | 74.4 | Confident | 72.1 | Confident | 84 Ų | 84 | 75 Ų | 75 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 177.4 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | K421 M422 V428 L429 | K421-V425 WeakPolarHBondContact O-CG2 3.4Å; K421-V425 PolarHBondContact O-N 3.14Å; M422-V425 PolarHBondContact O-N 3.41Å; M422-V425 VanDerWaalsContact O-N 3.16Å; V425-V428 PolarHBondContact O-N 2.97Å; V425-L429 HydrophobicContact CG1-CD1 3.89Å; V425-L429 HydrophobicContact CG1-CG 4.37Å; V425-L429 VanDerWaalsContact O-CG 3.29Å; V425-L429 WeakPolarHBondContact O-CG 3.49Å; V425-L429 PolarHBondContact O-N 2.63Å |
| 426 | F | 73.4 | Confident | 71.4 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.3 | -35.7 | -178.9 | -77.4 | -62.8 | 0 | 0 | 0 | 113.5 | G373 E374 T377 M422 L429 R430 | G373-F426 VanDerWaalsContact C-CG 3.48Å; E374-F426 HydrophobicContact CB-CB 4.17Å; T377-F426 WeakPolarHBondContact OG1-CD2 3.28Å; M422-F426 HydrophobicContact CB-CD2 4.38Å; M422-F426 HydrophobicContact CB-CE2 4.48Å; M422-F426 HydrophobicContact CE-CE2 3.98Å; M422-F426 VanDerWaalsContact O-CD2 3.28Å; M422-F426 WeakPolarHBondContact O-CD2 3.21Å; M422-F426 PolarHBondContact O-N 2.88Å; F426-L429 HydrophobicContact CD1-CD1 4.23Å; F426-L429 PolarHBondContact O-N 3.02Å; F426-R430 WeakPolarHBondContact O-CB 3.38Å; F426-R430 PolarHBondContact O-N 2.88Å |
| 427 | S | 71.6 | Confident | 71 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 172.3 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | A423 R430 E431 | A423-S427 WeakPolarHBondContact O-CB 3.33Å; A423-S427 PolarHBondContact O-N 2.96Å; S427-R430 PolarHBondContact O-N 3.47Å; S427-E431 WeakPolarHBondContact O-CB 3.25Å; S427-E431 WeakPolarHBondContact O-CG 3.22Å; S427-E431 PolarHBondContact O-N 3.13Å |
| 428 | V | 73.8 | Confident | 70.4 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | R424 V425 R430 E431 E432 | R424-V428 VanDerWaalsContact O-CG2 3.26Å; R424-V428 WeakPolarHBondContact O-CG2 3.13Å; R424-V428 PolarHBondContact O-N 3.32Å; V425-V428 PolarHBondContact O-N 2.97Å; V428-R430 VanDerWaalsContact C-N 3.27Å; V428-R430 PolarHBondContact O-N 3.41Å; V428-E431 PolarHBondContact O-N 2.88Å; V428-E432 HydrophobicContact CG1-CG 4.29Å; V428-E432 VanDerWaalsContact O-CB 3.31Å; V428-E432 WeakPolarHBondContact O-CB 3.36Å; V428-E432 VanDerWaalsContact O-CG 3.31Å; V428-E432 WeakPolarHBondContact O-CG 3.34Å; V428-E432 PolarHBondContact O-N 2.97Å |
| 429 | L | 71.5 | Confident | 69.5 | Low | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | 178.7 | -72.1 | 172.8 | 0 | 0 | 0 | 112.5 | V425 F426 S433 | V425-L429 HydrophobicContact CG1-CD1 3.89Å; V425-L429 HydrophobicContact CG1-CG 4.37Å; V425-L429 VanDerWaalsContact O-CG 3.29Å; V425-L429 WeakPolarHBondContact O-CG 3.49Å; V425-L429 PolarHBondContact O-N 2.63Å; F426-L429 HydrophobicContact CD1-CD1 4.23Å; F426-L429 PolarHBondContact O-N 3.02Å; L429-S433 WeakPolarHBondContact O-CB 3.39Å; L429-S433 PolarHBondContact O-N 2.95Å |
| 430 | R | 73.3 | Confident | 68.8 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.4 | -49.1 | 176.3 | -173.5 | -159 | 171.5 | 168.7 | -23.9 | 111.4 | F371 E374 K375 F426 S427 V428 E432 S433 E434 | F371-R430 VanDerWaalsContact CE2-NH2 3.31Å; E374-R430 HydrophobicContact CB-CB 4.4Å; E374-R430 IonicContact OE1-CZ 3.88Å; E374-R430 IonicContact OE1-NE 2.81Å; E374-R430 IonicContact OE1-NH1 3.35Å; E374-R430 PolarHBondContact OE1-NH1 3.17Å; E374-R430 VanDerWaalsContact OE2-CB 3.32Å; E374-R430 WeakPolarHBondContact OE2-CB 3.36Å; E374-R430 WeakPolarHBondContact OE2-CD 3.25Å; E374-R430 IonicContact OE2-NE 3.31Å; E374-R430 IonicContact OE2-NH1 3.96Å; K375-R430 VanDerWaalsContact NZ-NH1 3.16Å; F426-R430 WeakPolarHBondContact O-CB 3.38Å; F426-R430 PolarHBondContact O-N 2.88Å; S427-R430 PolarHBondContact O-N 3.47Å; V428-R430 VanDerWaalsContact C-N 3.27Å; V428-R430 PolarHBondContact O-N 3.41Å; R430-E432 PolarHBondContact O-N 3.29Å; R430-S433 CarbonylContact O-C 3.15Å; R430-S433 WeakPolarHBondContact O-CA 3.34Å; R430-S433 PolarHBondContact O-N 3.35Å; R430-E434 HydrophobicContact CG-CG 4.19Å; R430-E434 IonicContact CZ-OE1 3.88Å; R430-E434 VanDerWaalsContact NE-CD 3.28Å; R430-E434 IonicContact NE-OE1 2.7Å; R430-E434 PolarHBondContact NE-OE1 2.96Å; R430-E434 IonicContact NE-OE2 2.88Å; R430-E434 IonicContact NH2-OE1 3.91Å; R430-E434 PolarHBondContact NH2-OE1 3.26Å; R430-E434 IonicContact NH2-OE2 2.77Å; R430-E434 WeakPolarHBondContact O-CB 3.3Å; R430-E434 PolarHBondContact O-N 3.29Å |
| 431 | E | 71.9 | Confident | 68 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 176.8 | -76.6 | 178.1 | -167.1 | 0 | 0 | 110.7 | S427 V428 S435 R457 | S427-E431 WeakPolarHBondContact O-CB 3.25Å; S427-E431 WeakPolarHBondContact O-CG 3.22Å; S427-E431 PolarHBondContact O-N 3.13Å; V428-E431 PolarHBondContact O-N 2.88Å; E431-S435 WeakPolarHBondContact O-CB 3.38Å; E431-S435 PolarHBondContact O-N 3.21Å; E431-S435 PolarHBondContact O-OG 3.47Å; E431-R457 IonicContact OE1-NH2 3.8Å; E431-R457 IonicContact OE2-CZ 3.87Å; E431-R457 IonicContact OE2-NE 3.64Å; E431-R457 IonicContact OE2-NH2 3.8Å; E431-R457 PolarHBondContact OE2-NH2 3.16Å |
| 432 | E | 67 | Low | 66.9 | Low | 88 Ų | 88 | 60.6 Ų | 60.6 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 172.4 | -73.7 | -175.6 | 166.1 | 0 | 0 | 110.4 | V428 R430 E434 S435 V436 | V428-E432 HydrophobicContact CG1-CG 4.29Å; V428-E432 VanDerWaalsContact O-CB 3.31Å; V428-E432 WeakPolarHBondContact O-CB 3.36Å; V428-E432 VanDerWaalsContact O-CG 3.31Å; V428-E432 WeakPolarHBondContact O-CG 3.34Å; V428-E432 PolarHBondContact O-N 2.97Å; R430-E432 PolarHBondContact O-N 3.29Å; E432-E434 PolarHBondContact O-N 2.99Å; E432-S435 PolarHBondContact O-N 3.46Å; E432-V436 WeakPolarHBondContact O-CA 3.24Å; E432-V436 WeakPolarHBondContact O-CB 3.39Å; E432-V436 WeakPolarHBondContact O-CG2 3.48Å; E432-V436 PolarHBondContact O-N 3.43Å |
| 433 | S | 68.6 | Low | 65.9 | Low | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 113.9 | L429 R430 L437 | L429-S433 WeakPolarHBondContact O-CB 3.39Å; L429-S433 PolarHBondContact O-N 2.95Å; R430-S433 CarbonylContact O-C 3.15Å; R430-S433 WeakPolarHBondContact O-CA 3.34Å; R430-S433 PolarHBondContact O-N 3.35Å; S433-L437 VanDerWaalsContact O-CB 3.26Å; S433-L437 WeakPolarHBondContact O-CB 2.96Å; S433-L437 PolarHBondContact O-N 3.41Å |
| 434 | E | 69.3 | Low | 64.8 | Low | 77 Ų | 77 | 56.6 Ų | 56.6 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.8 | -46.2 | 177.1 | -78.3 | -179.3 | 164.6 | 0 | 0 | 110.3 | R430 E432 V436 L437 E438 | R430-E434 HydrophobicContact CG-CG 4.19Å; R430-E434 IonicContact CZ-OE1 3.88Å; R430-E434 VanDerWaalsContact NE-CD 3.28Å; R430-E434 IonicContact NE-OE1 2.7Å; R430-E434 PolarHBondContact NE-OE1 2.96Å; R430-E434 IonicContact NE-OE2 2.88Å; R430-E434 IonicContact NH2-OE1 3.91Å; R430-E434 PolarHBondContact NH2-OE1 3.26Å; R430-E434 IonicContact NH2-OE2 2.77Å; R430-E434 WeakPolarHBondContact O-CB 3.3Å; R430-E434 PolarHBondContact O-N 3.29Å; E432-E434 PolarHBondContact O-N 2.99Å; E434-V436 VanDerWaalsContact C-N 3.26Å; E434-V436 PolarHBondContact O-N 3.17Å; E434-L437 CarbonylContact O-C 3.59Å; E434-L437 PolarHBondContact O-N 3.5Å; E434-E438 WeakPolarHBondContact O-CB 3.4Å; E434-E438 WeakPolarHBondContact O-CG 3.45Å; E434-E438 PolarHBondContact O-N 3.34Å |
| 435 | S | 63 | Low | 63.8 | Low | 27 Ų | 27 | 47.4 Ų | 47.4 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.5 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | E431 E432 L439 | E431-S435 WeakPolarHBondContact O-CB 3.38Å; E431-S435 PolarHBondContact O-N 3.21Å; E431-S435 PolarHBondContact O-OG 3.47Å; E432-S435 PolarHBondContact O-N 3.46Å; S435-L439 WeakPolarHBondContact O-CB 3.42Å; S435-L439 WeakPolarHBondContact O-CD1 3.4Å; S435-L439 WeakPolarHBondContact O-CG 3.4Å; S435-L439 PolarHBondContact O-N 2.9Å |
| 436 | V | 62.7 | Low | 62.5 | Low | 27 Ų | 27 | 43.4 Ų | 43.4 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 110 | E432 E434 K440 L448 | E432-V436 WeakPolarHBondContact O-CA 3.24Å; E432-V436 WeakPolarHBondContact O-CB 3.39Å; E432-V436 WeakPolarHBondContact O-CG2 3.48Å; E432-V436 PolarHBondContact O-N 3.43Å; E434-V436 VanDerWaalsContact C-N 3.26Å; E434-V436 PolarHBondContact O-N 3.17Å; V436-K440 HydrophobicContact CG1-CD 3.59Å; V436-K440 HydrophobicContact CG1-CG 3.95Å; V436-K440 WeakPolarHBondContact O-CA 3.22Å; V436-K440 WeakPolarHBondContact O-CB 3.38Å; V436-K440 WeakPolarHBondContact O-CG 3.41Å; V436-K440 PolarHBondContact O-N 2.96Å; V436-L448 HydrophobicContact CB-CD1 4.47Å; V436-L448 HydrophobicContact CG2-CD1 3.54Å; V436-L448 HydrophobicContact CG2-CD2 4.44Å; V436-L448 HydrophobicContact CG2-CG 4.27Å |
| 437 | L | 65.2 | Low | 61.1 | Low | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | -177.9 | -171.2 | 76.1 | 0 | 0 | 0 | 112.5 | P359 W367 S433 E434 K440 G441 | P359-L437 HydrophobicContact CB-CD1 4.47Å; P359-L437 HydrophobicContact CG-CD1 3.85Å; W367-L437 VanDerWaalsContact NE1-CD2 3.25Å; S433-L437 VanDerWaalsContact O-CB 3.26Å; S433-L437 WeakPolarHBondContact O-CB 2.96Å; S433-L437 PolarHBondContact O-N 3.41Å; E434-L437 CarbonylContact O-C 3.59Å; E434-L437 PolarHBondContact O-N 3.5Å; L437-K440 CarbonylContact O-C 3.49Å; L437-K440 PolarHBondContact O-N 3.2Å; L437-G441 WeakPolarHBondContact O-CA 3.33Å; L437-G441 PolarHBondContact O-N 3.48Å |
| 438 | E | 60.5 | Low | 59.7 | Low | 89 Ų | 89 | 43.5 Ų | 43.5 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 174.4 | -76.3 | -176.4 | 176.3 | 0 | 0 | 109.8 | E434 K440 G441 L442 L464 | E434-E438 WeakPolarHBondContact O-CB 3.4Å; E434-E438 WeakPolarHBondContact O-CG 3.45Å; E434-E438 PolarHBondContact O-N 3.34Å; E438-K440 PolarHBondContact O-N 2.78Å; E438-G441 CarbonylContact O-C 3.42Å; E438-G441 PolarHBondContact O-N 3.3Å; E438-G441 VanDerWaalsContact O-N 3.15Å; E438-L442 WeakPolarHBondContact O-CB 3.43Å; E438-L442 WeakPolarHBondContact O-CD1 3.49Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.34Å; E438-L464 HydrophobicContact CB-CD2 4.42Å |
| 439 | L | 56.1 | Low | 58.1 | Low | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 176.2 | -71.8 | 165.9 | 0 | 0 | 0 | 110.5 | S435 G441 L442 T443 L448 L460 A463 L464 | S435-L439 WeakPolarHBondContact O-CB 3.42Å; S435-L439 WeakPolarHBondContact O-CD1 3.4Å; S435-L439 WeakPolarHBondContact O-CG 3.4Å; S435-L439 PolarHBondContact O-N 2.9Å; L439-G441 VanDerWaalsContact C-N 3.27Å; L439-G441 PolarHBondContact O-N 3.43Å; L439-L442 CarbonylContact O-C 3.5Å; L439-L442 PolarHBondContact O-N 2.82Å; L439-L442 VanDerWaalsContact O-N 3.11Å; L439-T443 WeakPolarHBondContact O-CA 3.35Å; L439-T443 VanDerWaalsContact O-CB 3.28Å; L439-T443 WeakPolarHBondContact O-CB 3.32Å; L439-T443 VanDerWaalsContact O-CG2 3.29Å; L439-T443 WeakPolarHBondContact O-CG2 3.38Å; L439-T443 PolarHBondContact O-N 3.26Å; L439-T443 PolarHBondContact O-OG1 2.92Å; L439-L448 HydrophobicContact CB-CD2 3.67Å; L439-L448 HydrophobicContact CD1-CD2 3.3Å; L439-L448 HydrophobicContact CG-CD2 4.11Å; L439-L460 HydrophobicContact CD1-CB 4.47Å; L439-L460 HydrophobicContact CD1-CD2 3.34Å; L439-L460 HydrophobicContact CD1-CG 4.48Å; L439-A463 HydrophobicContact CD2-CB 3.82Å; L439-L464 HydrophobicContact CD2-CD2 4.15Å; L439-L464 HydrophobicContact CD2-CG 4.23Å; L439-L464 HydrophobicContact CG-CD2 4.38Å; L439-L464 HydrophobicContact CG-CG 4.49Å |
| 440 | K | 60.8 | Low | 56.7 | Low | 29 Ų | 29 | 48.2 Ų | 48.2 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -26.1 | 176.3 | -72.5 | -173.1 | -176.2 | -136.6 | 0 | 113.8 | P359 V436 L437 E438 T443 G446 | P359-K440 HydrophobicContact CB-CB 3.88Å; V436-K440 HydrophobicContact CG1-CD 3.59Å; V436-K440 HydrophobicContact CG1-CG 3.95Å; V436-K440 WeakPolarHBondContact O-CA 3.22Å; V436-K440 WeakPolarHBondContact O-CB 3.38Å; V436-K440 WeakPolarHBondContact O-CG 3.41Å; V436-K440 PolarHBondContact O-N 2.96Å; L437-K440 CarbonylContact O-C 3.49Å; L437-K440 PolarHBondContact O-N 3.2Å; E438-K440 PolarHBondContact O-N 2.78Å; K440-T443 CarbonylContact C-O 3.57Å; K440-T443 WeakPolarHBondContact CA-OG1 3.19Å; K440-G446 WeakPolarHBondContact CD-O 3.46Å; K440-G446 WeakPolarHBondContact CE-O 3.46Å; K440-G446 VanDerWaalsContact CG-O 3.32Å; K440-G446 WeakPolarHBondContact CG-O 3.47Å; K440-G446 PolarHBondContact NZ-O 3.45Å |
| 441 | G | 56.3 | Low | 55 | Low | 56 Ų | 56 | 47.4 Ų | 47.4 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -80 | -27.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L437 E438 L439 | L437-G441 WeakPolarHBondContact O-CA 3.33Å; L437-G441 PolarHBondContact O-N 3.48Å; E438-G441 CarbonylContact O-C 3.42Å; E438-G441 PolarHBondContact O-N 3.3Å; E438-G441 VanDerWaalsContact O-N 3.15Å; L439-G441 VanDerWaalsContact C-N 3.27Å; L439-G441 PolarHBondContact O-N 3.43Å |
| 442 | L | 51.4 | Low | 53.7 | Low | 68 Ų | 68 | 44.3 Ų | 44.3 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -91.4 | -18 | 174.3 | -64.6 | 167.2 | 0 | 0 | 0 | 112.5 | E438 L439 L464 L467 | E438-L442 WeakPolarHBondContact O-CB 3.43Å; E438-L442 WeakPolarHBondContact O-CD1 3.49Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.34Å; L439-L442 CarbonylContact O-C 3.5Å; L439-L442 PolarHBondContact O-N 2.82Å; L439-L442 VanDerWaalsContact O-N 3.11Å; L442-L464 HydrophobicContact CD1-CD2 4.28Å; L442-L467 HydrophobicContact CD1-CD1 3.71Å; L442-L467 HydrophobicContact CD2-CD1 4.29Å |
| 443 | T | 50.3 | Low | 52.5 | Low | 18 Ų | 18 | 44.9 Ų | 44.9 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -114.6 | 105.6 | 177.1 | 66 | 0 | 0 | 0 | 0 | 109.2 | L439 K440 T445 G446 L447 | L439-T443 WeakPolarHBondContact O-CA 3.35Å; L439-T443 VanDerWaalsContact O-CB 3.28Å; L439-T443 WeakPolarHBondContact O-CB 3.32Å; L439-T443 VanDerWaalsContact O-CG2 3.29Å; L439-T443 WeakPolarHBondContact O-CG2 3.38Å; L439-T443 PolarHBondContact O-N 3.26Å; L439-T443 PolarHBondContact O-OG1 2.92Å; K440-T443 CarbonylContact C-O 3.57Å; K440-T443 WeakPolarHBondContact CA-OG1 3.19Å; T443-T445 PolarHBondContact O-N 3.13Å; T443-T445 PolarHBondContact OG1-OG1 3.29Å; T443-G446 PolarHBondContact O-N 3.05Å; T443-L447 PolarHBondContact OG1-O 3.23Å |
| 444 | P | 49.1 | Very low | 51.4 | Low | 17 Ų | 17 | 48.5 Ų | 48.5 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -19.8 | 174.4 | -30.1 | 34 | 0 | 0 | 0 | 116 | L327 G446 N486 | L327-P444 HydrophobicContact CB-CG 4.35Å; L327-P444 HydrophobicContact CD1-CB 4.21Å; L327-P444 HydrophobicContact CD1-CG 3.27Å; L327-P444 HydrophobicContact CD2-CB 3.45Å; L327-P444 VanDerWaalsContact CD2-CB 3.45Å; L327-P444 HydrophobicContact CD2-CG 3.37Å; L327-P444 HydrophobicContact CG-CB 4.41Å; L327-P444 HydrophobicContact CG-CG 3.8Å; P444-G446 PolarHBondContact O-N 3.06Å; P444-N486 WeakPolarHBondContact CD-ND2 3.48Å |
| 445 | T | 49.1 | Very low | 50.2 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.1 | 174.4 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | Y160 F161 T162 T443 L447 N486 | Y160-T445 HydrophobicContact CD1-CG2 3.99Å; Y160-T445 HydrophobicContact CE1-CG2 3.42Å; Y160-T445 VanDerWaalsContact CE1-CG2 3.42Å; F161-T445 HydrophobicContact CD1-CG2 3.37Å; F161-T445 HydrophobicContact CE1-CG2 3.17Å; F161-T445 HydrophobicContact CG-CG2 4.44Å; F161-T445 HydrophobicContact CZ-CG2 4.13Å; T162-T445 WeakPolarHBondContact CG2-O 3.44Å; T443-T445 PolarHBondContact O-N 3.13Å; T443-T445 PolarHBondContact OG1-OG1 3.29Å; T445-L447 PolarHBondContact O-N 2.64Å; T445-L447 PolarHBondContact OG1-N 2.8Å; T445-L447 PolarHBondContact OG1-O 3.5Å; T445-N486 VanDerWaalsContact CG2-OD1 3.28Å; T445-N486 WeakPolarHBondContact CG2-OD1 3.44Å |
| 446 | G | 47.7 | Very low | 49.5 | Very low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | 57.6 | 14.2 | -164 | 0 | 0 | 0 | 0 | 0 | 113.3 | K440 T443 P444 | K440-G446 WeakPolarHBondContact CD-O 3.46Å; K440-G446 WeakPolarHBondContact CE-O 3.46Å; K440-G446 VanDerWaalsContact CG-O 3.32Å; K440-G446 WeakPolarHBondContact CG-O 3.47Å; K440-G446 PolarHBondContact NZ-O 3.45Å; T443-G446 PolarHBondContact O-N 3.05Å; P444-G446 PolarHBondContact O-N 3.06Å | ||
| 447 | L | 43.6 | Very low | 49.1 | Very low | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | trans | -112.3 | 136.2 | 175.6 | -72.1 | -172.4 | 0 | 0 | 0 | 109.9 | Y160 T443 T445 | Y160-L447 HydrophobicContact CD2-CD1 3.93Å; Y160-L447 HydrophobicContact CE2-CD1 4.2Å; Y160-L447 HydrophobicContact CG-CD1 4.31Å; Y160-L447 WeakPolarHBondContact O-CD1 3.35Å; Y160-L447 WeakPolarHBondContact O-CG 3.36Å; T443-L447 PolarHBondContact OG1-O 3.23Å; T445-L447 PolarHBondContact O-N 2.64Å; T445-L447 PolarHBondContact OG1-N 2.8Å; T445-L447 PolarHBondContact OG1-O 3.5Å | ||
| 448 | L | 42.3 | Very low | 48.6 | Very low | 28 Ų | 28 | 65.2 Ų | 65.2 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 144.7 | 168 | -74.1 | 172.4 | 0 | 0 | 0 | 109.9 | V436 L439 F450 A452 L453 L460 | V436-L448 HydrophobicContact CB-CD1 4.47Å; V436-L448 HydrophobicContact CG2-CD1 3.54Å; V436-L448 HydrophobicContact CG2-CD2 4.44Å; V436-L448 HydrophobicContact CG2-CG 4.27Å; L439-L448 HydrophobicContact CB-CD2 3.67Å; L439-L448 HydrophobicContact CD1-CD2 3.3Å; L439-L448 HydrophobicContact CG-CD2 4.11Å; L448-F450 PolarHBondContact O-N 3.44Å; L448-A452 HydrophobicContact CB-CB 4.38Å; L448-L453 HydrophobicContact CD1-CD1 3.77Å; L448-L453 HydrophobicContact CD1-CD2 3.53Å; L448-L453 HydrophobicContact CD1-CG 3.56Å; L448-L460 HydrophobicContact CD2-CD2 3.95Å |
| 449 | P | 41.4 | Very low | 48.3 | Very low | 43 Ų | 43 | 61.8 Ų | 61.8 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 137.6 | 173.8 | -21.8 | 29.1 | 0 | 0 | 0 | 110.8 | G451 A452 | P449-G451 PolarHBondContact O-N 3.37Å; P449-A452 HydrophobicContact CB-CB 4.1Å; P449-A452 HydrophobicContact CG-CB 4.28Å; P449-A452 WeakPolarHBondContact O-CB 3.44Å; P449-A452 PolarHBondContact O-N 2.93Å |
| 450 | F | 40.9 | Very low | 48.2 | Very low | 189 Ų | 189 | 61.8 Ų | 61.8 | 83% | 0.829 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 127.7 | 178.3 | -168.7 | -90.3 | 0 | 0 | 0 | 109.7 | L448 | L448-F450 PolarHBondContact O-N 3.44Š|
| 451 | G | 38.1 | Very low | 47.9 | Very low | 20 Ų | 20 | 65.7 Ų | 65.7 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -16.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P449 L453 S454 E455 | P449-G451 PolarHBondContact O-N 3.37Å; G451-L453 PolarHBondContact O-N 3.42Å; G451-S454 WeakPolarHBondContact CA-OG 3.45Å; G451-S454 WeakPolarHBondContact O-CB 3.41Å; G451-S454 PolarHBondContact O-N 3.04Å; G451-E455 PolarHBondContact O-N 2.84Å |
| 452 | A | 44.7 | Very low | 47.7 | Very low | 7 Ų | 7 | 68.2 Ų | 68.2 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L448 P449 S459 L460 | L448-A452 HydrophobicContact CB-CB 4.38Å; P449-A452 HydrophobicContact CB-CB 4.1Å; P449-A452 HydrophobicContact CG-CB 4.28Å; P449-A452 WeakPolarHBondContact O-CB 3.44Å; P449-A452 PolarHBondContact O-N 2.93Å; A452-S459 PolarHBondContact O-OG 2.89Å; A452-L460 HydrophobicContact CB-CD2 4.08Å |
| 453 | L | 42.7 | Very low | 47.7 | Very low | 101 Ų | 101 | 67.2 Ų | 67.2 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -31.4 | 169.1 | -64.6 | 175.2 | 0 | 0 | 0 | 112.2 | L448 G451 E455 G456 | L448-L453 HydrophobicContact CD1-CD1 3.77Å; L448-L453 HydrophobicContact CD1-CD2 3.53Å; L448-L453 HydrophobicContact CD1-CG 3.56Å; G451-L453 PolarHBondContact O-N 3.42Å; L453-E455 VanDerWaalsContact C-N 3.35Å; L453-E455 PolarHBondContact O-N 3.36Å; L453-G456 PolarHBondContact O-N 3.35Å |
| 454 | S | 44.6 | Very low | 47.8 | Very low | 102 Ų | 102 | 68 Ų | 68 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -35.2 | -178.6 | -35.4 | 0 | 0 | 0 | 0 | 112.7 | G451 G456 | G451-S454 WeakPolarHBondContact CA-OG 3.45Å; G451-S454 WeakPolarHBondContact O-CB 3.41Å; G451-S454 PolarHBondContact O-N 3.04Å; S454-G456 VanDerWaalsContact C-N 3.34Å |
| 455 | E | 44.4 | Very low | 47.9 | Very low | 149 Ų | 149 | 72.5 Ų | 72.5 | 70% | 0.696 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.7 | 179.1 | -63.7 | -167.3 | 170.6 | 0 | 0 | 113.3 | G451 L453 | G451-E455 PolarHBondContact O-N 2.84Å; L453-E455 VanDerWaalsContact C-N 3.35Å; L453-E455 PolarHBondContact O-N 3.36Å |
| 456 | G | 48.2 | Very low | 48 | Very low | 32 Ų | 32 | 75.8 Ų | 75.8 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -164.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L453 S454 R458 S459 | L453-G456 PolarHBondContact O-N 3.35Å; S454-G456 VanDerWaalsContact C-N 3.34Å; G456-R458 PolarHBondContact O-N 3.33Å; G456-S459 PolarHBondContact O-N 3.44Å; G456-S459 PolarHBondContact O-OG 2.9Å |
| 457 | R | 54.3 | Low | 48 | Very low | 150 Ų | 150 | 77.7 Ų | 77.7 | 57% | 0.566 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -47.6 | -29.9 | -173.1 | -172.8 | -175.5 | -80.1 | 168.7 | -9.1 | 115.1 | E431 Q461 | E431-R457 IonicContact OE1-NH2 3.8Å; E431-R457 IonicContact OE2-CZ 3.87Å; E431-R457 IonicContact OE2-NE 3.64Å; E431-R457 IonicContact OE2-NH2 3.8Å; E431-R457 PolarHBondContact OE2-NH2 3.16Å; R457-Q461 PolarHBondContact O-N 2.96Å |
| 458 | R | 55.3 | Low | 47.8 | Very low | 197 Ų | 197 | 77.4 Ų | 77.4 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.1 | -38.8 | -174.1 | -151 | 176.5 | -165.8 | 145.3 | 1.5 | 112.5 | G456 Q461 I462 | G456-R458 PolarHBondContact O-N 3.33Å; R458-Q461 PolarHBondContact O-N 3.25Å; R458-I462 HydrophobicContact CG-CD1 4.4Å; R458-I462 WeakPolarHBondContact O-CD1 3.27Å; R458-I462 WeakPolarHBondContact O-CG1 2.96Å; R458-I462 PolarHBondContact O-N 2.82Å |
| 459 | S | 53.5 | Low | 47.8 | Very low | 16 Ų | 16 | 80.9 Ų | 80.9 | 11% | 0.112 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | A452 G456 I462 A463 | A452-S459 PolarHBondContact O-OG 2.89Å; G456-S459 PolarHBondContact O-N 3.44Å; G456-S459 PolarHBondContact O-OG 2.9Å; S459-I462 PolarHBondContact O-N 2.91Å; S459-A463 WeakPolarHBondContact O-CB 3.33Å; S459-A463 PolarHBondContact O-N 3.11Å |
| 460 | L | 54.3 | Low | 47.9 | Very low | 9 Ų | 9 | 87.4 Ų | 87.4 | 5% | 0.047 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.3 | -62.9 | 173.4 | 0 | 0 | 0 | 110.9 | L439 L448 A452 A463 L464 | L439-L460 HydrophobicContact CD1-CB 4.47Å; L439-L460 HydrophobicContact CD1-CD2 3.34Å; L439-L460 HydrophobicContact CD1-CG 4.48Å; L448-L460 HydrophobicContact CD2-CD2 3.95Å; A452-L460 HydrophobicContact CB-CD2 4.08Å; L460-A463 PolarHBondContact O-N 3.34Å; L460-L464 WeakPolarHBondContact O-CG 3.37Å; L460-L464 PolarHBondContact O-N 3.22Å |
| 461 | Q | 53.7 | Low | 48.3 | Very low | 110 Ų | 110 | 83.8 Ų | 83.8 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 173.8 | -78.8 | -178.2 | -13.9 | 0 | 0 | 112 | R457 R458 A463 L464 T465 | R457-Q461 PolarHBondContact O-N 2.96Å; R458-Q461 PolarHBondContact O-N 3.25Å; Q461-A463 VanDerWaalsContact C-N 3.3Å; Q461-A463 PolarHBondContact O-N 3.46Å; Q461-L464 CarbonylContact O-C 3.59Å; Q461-L464 WeakPolarHBondContact O-CA 3.29Å; Q461-L464 PolarHBondContact O-N 2.91Å; Q461-T465 WeakPolarHBondContact O-CB 3.45Å; Q461-T465 WeakPolarHBondContact O-CG2 3.38Å; Q461-T465 PolarHBondContact O-N 3.32Å; Q461-T465 PolarHBondContact O-OG1 3Å |
| 462 | I | 52.9 | Low | 49.3 | Very low | 110 Ų | 110 | 91.8 Ų | 91.8 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 177.4 | -70.1 | 162.5 | 0 | 0 | 0 | 110.7 | R458 S459 L464 T465 | R458-I462 HydrophobicContact CG-CD1 4.4Å; R458-I462 WeakPolarHBondContact O-CD1 3.27Å; R458-I462 WeakPolarHBondContact O-CG1 2.96Å; R458-I462 PolarHBondContact O-N 2.82Å; S459-I462 PolarHBondContact O-N 2.91Å; I462-L464 PolarHBondContact O-N 3.04Å; I462-T465 VanDerWaalsContact CA-OG1 3.25Å; I462-T465 WeakPolarHBondContact CA-OG1 3.31Å; I462-T465 PolarHBondContact O-N 3.46Å; I462-T465 PolarHBondContact O-OG1 3.44Å |
| 463 | A | 50.1 | Low | 50.4 | Low | 46 Ų | 46 | 93.5 Ų | 93.5 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -31.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L439 S459 L460 Q461 | L439-A463 HydrophobicContact CD2-CB 3.82Å; S459-A463 WeakPolarHBondContact O-CB 3.33Å; S459-A463 PolarHBondContact O-N 3.11Å; L460-A463 PolarHBondContact O-N 3.34Å; Q461-A463 VanDerWaalsContact C-N 3.3Å; Q461-A463 PolarHBondContact O-N 3.46Å |
| 464 | L | 53.1 | Low | 51.9 | Low | 34 Ų | 34 | 93.5 Ų | 93.5 | 18% | 0.178 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -88.1 | -19 | 176.3 | -68.7 | 164.7 | 0 | 0 | 0 | 113.7 | E438 L439 L442 L460 Q461 I462 G466 L467 | E438-L464 HydrophobicContact CB-CD2 4.42Å; L439-L464 HydrophobicContact CD2-CD2 4.15Å; L439-L464 HydrophobicContact CD2-CG 4.23Å; L439-L464 HydrophobicContact CG-CD2 4.38Å; L439-L464 HydrophobicContact CG-CG 4.49Å; L442-L464 HydrophobicContact CD1-CD2 4.28Å; L460-L464 WeakPolarHBondContact O-CG 3.37Å; L460-L464 PolarHBondContact O-N 3.22Å; Q461-L464 CarbonylContact O-C 3.59Å; Q461-L464 WeakPolarHBondContact O-CA 3.29Å; Q461-L464 PolarHBondContact O-N 2.91Å; I462-L464 PolarHBondContact O-N 3.04Å; L464-G466 PolarHBondContact O-N 2.94Å; L464-L467 PolarHBondContact O-N 3.41Å |
| 465 | T | 51.5 | Low | 53.8 | Low | 112 Ų | 112 | 90.5 Ų | 90.5 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 2.2 | -171.8 | 46.6 | 0 | 0 | 0 | 0 | 115.8 | Q461 I462 | Q461-T465 WeakPolarHBondContact O-CB 3.45Å; Q461-T465 WeakPolarHBondContact O-CG2 3.38Å; Q461-T465 PolarHBondContact O-N 3.32Å; Q461-T465 PolarHBondContact O-OG1 3Å; I462-T465 VanDerWaalsContact CA-OG1 3.25Å; I462-T465 WeakPolarHBondContact CA-OG1 3.31Å; I462-T465 PolarHBondContact O-N 3.46Å; I462-T465 PolarHBondContact O-OG1 3.44Å |
| 466 | G | 50 | Low | 56 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 73% | 0.732 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115 | L464 | L464-G466 PolarHBondContact O-N 2.94Š|
| 467 | L | 48 | Very low | 57.9 | Low | 40 Ų | 40 | 88.2 Ų | 88.2 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -131.3 | 109.7 | -167.9 | -69.8 | 166.5 | 0 | 0 | 0 | 109.8 | L442 L464 L482 | L442-L467 HydrophobicContact CD1-CD1 3.71Å; L442-L467 HydrophobicContact CD2-CD1 4.29Å; L464-L467 PolarHBondContact O-N 3.41Å; L467-L482 HydrophobicContact CD1-CD2 4.1Å; L467-L482 HydrophobicContact CD2-CD1 3.84Å; L467-L482 HydrophobicContact CD2-CD2 3.84Å; L467-L482 HydrophobicContact CG-CD2 4.22Å |
| 468 | A | 39.1 | Very low | 59.2 | Low | 59 Ų | 59 | 82.2 Ų | 82.2 | 49% | 0.488 | 45% | 0.449 | S | S | . | . | trans | -60.5 | 135 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | H470 Q471 | A468-H470 PolarHBondContact O-N 2.99Å; A468-Q471 HydrophobicContact CB-CB 4.4Å; A468-Q471 PolarHBondContact O-N 2.94Å | ||
| 469 | P | 43.3 | Very low | 60.4 | Low | 101 Ų | 101 | 73 Ų | 73 | 66% | 0.656 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -3.2 | -168.8 | -26.6 | 33 | 0 | 0 | 0 | 117.3 | ||
| 470 | H | 44.5 | Very low | 61.8 | Low | 180 Ų | 180 | 76.1 Ų | 76.1 | 83% | 0.833 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.5 | 11.3 | -176.8 | -57.7 | -46.2 | 0 | 0 | 0 | 114 | A468 K472 | A468-H470 PolarHBondContact O-N 2.99Å; H470-K472 PolarHBondContact O-N 3.28Å; H470-K472 VanDerWaalsContact O-N 3.13Å |
| 471 | Q | 49 | Very low | 62.8 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | trans | -75.2 | 106.4 | 175.6 | -172.3 | 168.4 | -31 | 0 | 0 | 108.9 | A468 I473 E478 | A468-Q471 HydrophobicContact CB-CB 4.4Å; A468-Q471 PolarHBondContact O-N 2.94Å; Q471-I473 PolarHBondContact O-N 2.66Å; Q471-E478 PolarHBondContact NE2-OE1 2.74Å; Q471-E478 VanDerWaalsContact NE2-OE1 3.09Å | ||
| 472 | K | 58.8 | Low | 63.7 | Low | 188 Ų | 188 | 81.7 Ų | 81.7 | 82% | 0.817 | 45% | 0.446 | S | S | * | . | trans | -62.8 | 128.1 | 169.5 | -70.2 | -174.6 | 178 | -175.7 | 0 | 108.2 | H470 S474 | H470-K472 PolarHBondContact O-N 3.28Å; H470-K472 VanDerWaalsContact O-N 3.13Å; K472-S474 PolarHBondContact O-N 2.94Å; K472-S474 VanDerWaalsContact O-N 3.16Å | ||
| 473 | I | 68.3 | Low | 64.9 | Low | 44 Ų | 44 | 76.7 Ų | 76.7 | 23% | 0.226 | 42% | 0.42 | C | S | . | . | trans | -53.7 | 122 | 170.3 | -63 | 170.3 | 0 | 0 | 0 | 107.4 | V329 Q471 E478 A479 L482 | V329-I473 HydrophobicContact CB-CD1 3.86Å; V329-I473 HydrophobicContact CG1-CD1 4.09Å; V329-I473 HydrophobicContact CG2-CD1 4.06Å; Q471-I473 PolarHBondContact O-N 2.66Å; I473-E478 HydrophobicContact CG2-CB 4.16Å; I473-E478 HydrophobicContact CG2-CG 4.16Å; I473-A479 HydrophobicContact CG2-CB 3.79Å; I473-L482 HydrophobicContact CD1-CD1 3.82Å; I473-L482 HydrophobicContact CG1-CD1 3.9Å | ||
| 474 | S | 74.1 | Confident | 66.2 | Low | 100 Ų | 100 | 79.9 Ų | 79.9 | 70% | 0.699 | 43% | 0.427 | S | S | * | . | trans | -106.4 | -13.9 | -165.5 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | K472 E478 | K472-S474 PolarHBondContact O-N 2.94Å; K472-S474 VanDerWaalsContact O-N 3.16Å; S474-E478 WeakPolarHBondContact CB-OE2 3.49Å; S474-E478 PolarHBondContact N-OE2 3.3Å; S474-E478 PolarHBondContact OG-OE2 2.79Å | ||
| 475 | S | 84.2 | Confident | 67.1 | Low | 40 Ų | 40 | 82.4 Ų | 82.4 | 28% | 0.28 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -149.4 | 157.4 | -175 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | E477 E478 A479 | S475-E477 VanDerWaalsContact C-N 3.3Å; S475-E477 PolarHBondContact O-N 3.46Å; S475-E478 PolarHBondContact O-N 3.28Å; S475-E478 VanDerWaalsContact OG-CB 3.24Å; S475-E478 WeakPolarHBondContact OG-CB 3.45Å; S475-E478 PolarHBondContact OG-N 3.35Å; S475-A479 PolarHBondContact O-N 3.08Å; S475-A479 VanDerWaalsContact O-N 3.08Å |
| 476 | F | 89.1 | Confident | 68.3 | Low | 21 Ų | 21 | 77.3 Ų | 77.3 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.3 | -43.4 | 173 | 177.8 | -93.1 | 0 | 0 | 0 | 111.8 | A298 D300 Y330 N332 E478 A479 K480 | A298-F476 HydrophobicContact CB-CE2 4.32Å; A298-F476 HydrophobicContact CB-CZ 4.2Å; A298-F476 WeakPolarHBondContact O-CZ 3.23Å; D300-F476 HydrophobicContact CB-CB 4.23Å; D300-F476 HydrophobicContact CB-CD1 3.97Å; D300-F476 HydrophobicContact CB-CD2 3.83Å; D300-F476 HydrophobicContact CB-CE1 4.31Å; D300-F476 HydrophobicContact CB-CE2 4.17Å; D300-F476 HydrophobicContact CB-CG 3.73Å; D300-F476 HydrophobicContact CB-CZ 4.42Å; Y330-F476 AromaticContact CD1-CD2 3.65Å; Y330-F476 HydrophobicContact CD1-CD2 3.65Å; Y330-F476 AromaticContact CD1-CE2 3.52Å; Y330-F476 HydrophobicContact CD1-CE2 3.52Å; Y330-F476 HydrophobicContact CD1-CG 4.46Å; Y330-F476 HydrophobicContact CD1-CZ 4.22Å; Y330-F476 HydrophobicContact CE1-CE2 4.16Å; Y330-F476 HydrophobicContact CE1-CZ 4.44Å; Y330-F476 HydrophobicContact CG-CD2 4.48Å; N332-F476 HydrophobicContact CB-CD2 3.81Å; N332-F476 HydrophobicContact CB-CE2 3.86Å; F476-E478 VanDerWaalsContact C-N 3.34Å; F476-E478 PolarHBondContact O-N 2.66Å; F476-A479 PolarHBondContact O-N 3.47Å; F476-K480 HydrophobicContact CE1-CD 4.1Å; F476-K480 WeakPolarHBondContact O-CB 3.49Å; F476-K480 PolarHBondContact O-N 3.36Å |
| 477 | E | 88.8 | Confident | 69.9 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.7 | -31.1 | 179.6 | -64.9 | 77.6 | -170 | 0 | 0 | 112.9 | S475 R481 | S475-E477 VanDerWaalsContact C-N 3.3Å; S475-E477 PolarHBondContact O-N 3.46Å; E477-R481 WeakPolarHBondContact O-CB 2.98Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.4Å; E477-R481 PolarHBondContact O-N 3.15Å; E477-R481 VanDerWaalsContact O-N 3.15Å; E477-R481 PolarHBondContact O-NE 3.08Å; E477-R481 VanDerWaalsContact O-NE 3.09Å |
| 478 | E | 82.2 | Confident | 71.3 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 11% | 0.112 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 172.3 | -173.4 | 175.6 | -164.3 | 0 | 0 | 110.8 | Q471 I473 S474 S475 F476 R481 L482 | Q471-E478 PolarHBondContact NE2-OE1 2.74Å; Q471-E478 VanDerWaalsContact NE2-OE1 3.09Å; I473-E478 HydrophobicContact CG2-CB 4.16Å; I473-E478 HydrophobicContact CG2-CG 4.16Å; S474-E478 WeakPolarHBondContact CB-OE2 3.49Å; S474-E478 PolarHBondContact N-OE2 3.3Å; S474-E478 PolarHBondContact OG-OE2 2.79Å; S475-E478 PolarHBondContact O-N 3.28Å; S475-E478 VanDerWaalsContact OG-CB 3.24Å; S475-E478 WeakPolarHBondContact OG-CB 3.45Å; S475-E478 PolarHBondContact OG-N 3.35Å; F476-E478 VanDerWaalsContact C-N 3.34Å; F476-E478 PolarHBondContact O-N 2.66Å; E478-R481 PolarHBondContact O-N 3.47Å; E478-L482 HydrophobicContact CG-CD1 4.4Å; E478-L482 WeakPolarHBondContact O-CG 3.26Å; E478-L482 PolarHBondContact O-N 3.36Å; E478-L482 VanDerWaalsContact O-N 3.13Å |
| 479 | A | 79 | Confident | 73.2 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V329 Y330 I473 S475 F476 R481 L482 D483 | V329-A479 HydrophobicContact CG2-CB 4.31Å; Y330-A479 HydrophobicContact CD1-CB 3.83Å; Y330-A479 HydrophobicContact CD2-CB 3.54Å; Y330-A479 HydrophobicContact CE1-CB 4.11Å; Y330-A479 HydrophobicContact CE2-CB 3.78Å; Y330-A479 HydrophobicContact CG-CB 3.59Å; I473-A479 HydrophobicContact CG2-CB 3.79Å; S475-A479 PolarHBondContact O-N 3.08Å; S475-A479 VanDerWaalsContact O-N 3.08Å; F476-A479 PolarHBondContact O-N 3.47Å; A479-R481 VanDerWaalsContact C-N 3.29Å; A479-R481 PolarHBondContact O-N 3.23Å; A479-L482 PolarHBondContact O-N 3.38Å; A479-D483 WeakPolarHBondContact O-CB 3.38Å; A479-D483 PolarHBondContact O-N 3.41Å |
| 480 | K | 83 | Confident | 74.7 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 179 | -172 | 170.9 | -179.2 | 169.8 | 0 | 112.8 | E297 Y330 F476 Q484 | E297-K480 IonicContact OE1-NZ 2.64Å; Y330-K480 HydrophobicContact CE1-CB 3.8Å; Y330-K480 HydrophobicContact CE1-CG 4.45Å; Y330-K480 WeakPolarHBondContact OH-CA 3.39Å; F476-K480 HydrophobicContact CE1-CD 4.1Å; F476-K480 WeakPolarHBondContact O-CB 3.49Å; F476-K480 PolarHBondContact O-N 3.36Å; K480-Q484 PolarHBondContact O-N 2.89Å |
| 481 | R | 76.8 | Confident | 76.2 | Confident | 171 Ų | 171 | 67.6 Ų | 67.6 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.8 | -41.6 | 177.4 | -79.1 | -178.2 | -66.6 | -150.2 | 1.8 | 112.6 | E477 E478 A479 D483 Q484 | E477-R481 WeakPolarHBondContact O-CB 2.98Å; E477-R481 VanDerWaalsContact O-CG 3.27Å; E477-R481 WeakPolarHBondContact O-CG 3.4Å; E477-R481 PolarHBondContact O-N 3.15Å; E477-R481 VanDerWaalsContact O-N 3.15Å; E477-R481 PolarHBondContact O-NE 3.08Å; E477-R481 VanDerWaalsContact O-NE 3.09Å; E478-R481 PolarHBondContact O-N 3.47Å; A479-R481 VanDerWaalsContact C-N 3.29Å; A479-R481 PolarHBondContact O-N 3.23Å; R481-D483 VanDerWaalsContact C-N 3.3Å; R481-Q484 WeakPolarHBondContact O-CB 3.37Å |
| 482 | L | 71.7 | Confident | 77.2 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.4 | -33.3 | 179.1 | -67.2 | 173.6 | 0 | 0 | 0 | 112.1 | L467 I473 E478 A479 | L467-L482 HydrophobicContact CD1-CD2 4.1Å; L467-L482 HydrophobicContact CD2-CD1 3.84Å; L467-L482 HydrophobicContact CD2-CD2 3.84Å; L467-L482 HydrophobicContact CG-CD2 4.22Å; I473-L482 HydrophobicContact CD1-CD1 3.82Å; I473-L482 HydrophobicContact CG1-CD1 3.9Å; E478-L482 HydrophobicContact CG-CD1 4.4Å; E478-L482 WeakPolarHBondContact O-CG 3.26Å; E478-L482 PolarHBondContact O-N 3.36Å; E478-L482 VanDerWaalsContact O-N 3.13Å; A479-L482 PolarHBondContact O-N 3.38Å |
| 483 | D | 78.3 | Confident | 77 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -87.3 | -4.9 | -177.6 | -162.7 | 35.8 | 0 | 0 | 0 | 113.9 | R123 L327 Y330 A479 R481 I485 N486 E487 | R123-D483 IonicContact NH2-OD1 2.98Å; R123-D483 PolarHBondContact NH2-OD1 2.98Å; R123-D483 IonicContact NH2-OD2 3.9Å; R123-D483 PolarHBondContact NH2-OD2 3.17Å; L327-D483 WeakPolarHBondContact CD1-OD2 3.35Å; Y330-D483 HydrophobicContact CE2-CB 4.1Å; Y330-D483 WeakPolarHBondContact OH-CB 3.43Å; Y330-D483 PolarHBondContact OH-OD2 3.32Å; A479-D483 WeakPolarHBondContact O-CB 3.38Å; A479-D483 PolarHBondContact O-N 3.41Å; R481-D483 VanDerWaalsContact C-N 3.3Å; D483-I485 PolarHBondContact O-N 2.93Å; D483-N486 WeakPolarHBondContact O-CB 3.28Å; D483-N486 PolarHBondContact O-N 3.31Å; D483-N486 WeakPolarHBondContact OD1-CB 3.3Å; D483-N486 PolarHBondContact OD1-ND2 2.66Å; D483-E487 PolarHBondContact O-N 3.26Å |
| 484 | Q | 77.9 | Confident | 75.7 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.4 | -175.3 | -169 | -176.3 | 30.1 | 0 | 0 | 113.8 | K480 R481 N486 | K480-Q484 PolarHBondContact O-N 2.89Å; R481-Q484 WeakPolarHBondContact O-CB 3.37Å; Q484-N486 VanDerWaalsContact C-N 3.31Å |
| 485 | I | 70.8 | Confident | 73.8 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 45% | 0.451 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32.8 | 176.6 | -169 | 168.2 | 0 | 0 | 0 | 112.4 | D483 | D483-I485 PolarHBondContact O-N 2.93Š|
| 486 | N | 77.8 | Confident | 71 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.6 | -176.8 | -53.9 | -52.3 | 0 | 0 | 0 | 112.7 | R123 F161 P444 T445 D483 Q484 R488 | R123-N486 PolarHBondContact NH1-O 3.25Å; F161-N486 HydrophobicContact CE1-CB 4.11Å; F161-N486 HydrophobicContact CZ-CB 4.36Å; F161-N486 WeakPolarHBondContact CZ-O 3.19Å; P444-N486 WeakPolarHBondContact CD-ND2 3.48Å; T445-N486 VanDerWaalsContact CG2-OD1 3.28Å; T445-N486 WeakPolarHBondContact CG2-OD1 3.44Å; D483-N486 WeakPolarHBondContact O-CB 3.28Å; D483-N486 PolarHBondContact O-N 3.31Å; D483-N486 WeakPolarHBondContact OD1-CB 3.3Å; D483-N486 PolarHBondContact OD1-ND2 2.66Å; Q484-N486 VanDerWaalsContact C-N 3.31Å; N486-R488 VanDerWaalsContact C-N 3.27Å |
| 487 | E | 83.4 | Confident | 68 | Low | 56 Ų | 56 | 82.5 Ų | 82.5 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.2 | 170.2 | -60.9 | -53 | 126.2 | 0 | 0 | 112 | R123 D483 | R123-E487 IonicContact NH1-OE1 2.66Å; R123-E487 IonicContact NH2-OE1 3.74Å; R123-E487 PolarHBondContact NH2-OE1 2.69Å; D483-E487 PolarHBondContact O-N 3.26Å |
| 488 | R | 78.4 | Confident | 65.1 | Low | 104 Ų | 104 | 85.9 Ų | 85.9 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -88.2 | 152.5 | 176.5 | -61.9 | 177.2 | -172.5 | -180 | 3 | 110.6 | N486 | N486-R488 VanDerWaalsContact C-N 3.27Š|
| 489 | M | 77.9 | Confident | 62.5 | Low | 27 Ų | 27 | 93.8 Ų | 93.8 | 13% | 0.133 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.4 | 169.7 | -166 | 164.2 | 72.4 | 0 | 0 | 110.6 | L157 A224 W233 V270 | L157-M489 HydrophobicContact CD1-CG 4.19Å; A224-M489 HydrophobicContact CB-CE 4.42Å; W233-M489 HydrophobicContact CH2-CB 3.68Å; W233-M489 HydrophobicContact CH2-CG 3.98Å; W233-M489 HydrophobicContact CZ2-CB 3.88Å; W233-M489 HydrophobicContact CZ2-CG 3.74Å; W233-M489 HydrophobicContact CZ2-SD 3.93Å; W233-M489 HydrophobicContact CZ3-CB 4.12Å; V270-M489 HydrophobicContact CB-CE 3.68Å; V270-M489 HydrophobicContact CG1-CE 3.87Å; V270-M489 HydrophobicContact CG2-CE 2.94Å |
| 490 | P | 75.2 | Confident | 60.1 | Low | 4 Ų | 4 | 100.2 Ų | 100.2 | 3% | 0.026 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -60 | 155 | 179.3 | -25 | 34.7 | 0 | 0 | 0 | 112.7 | H156 L157 Y160 F161 | H156-P490 PolarHBondContact CE1-O 3.09Å; H156-P490 PolarHBondContact NE2-O 2.68Å; L157-P490 HydrophobicContact CD1-CG 4.13Å; L157-P490 HydrophobicContact CG-CG 4.33Å; Y160-P490 HydrophobicContact CD1-CB 3.81Å; Y160-P490 HydrophobicContact CD1-CG 3.38Å; Y160-P490 HydrophobicContact CD2-CB 3.66Å; Y160-P490 HydrophobicContact CD2-CG 4.16Å; Y160-P490 HydrophobicContact CE1-CB 4.19Å; Y160-P490 HydrophobicContact CE1-CG 3.95Å; Y160-P490 HydrophobicContact CE2-CB 4.07Å; Y160-P490 HydrophobicContact CG-CB 3.51Å; Y160-P490 HydrophobicContact CG-CG 3.48Å; Y160-P490 VanDerWaalsContact CG-CG 3.48Å; F161-P490 HydrophobicContact CE2-CG 4.36Å |
| 491 | P | 75.2 | Confident | 57.6 | Low | 56 Ų | 56 | 101 Ų | 101 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.3 | 172.2 | 27.9 | -34.2 | 0 | 0 | 0 | 110.7 | H156 C493 | H156-P491 PolarHBondContact CE1-O 3.42Å; H156-P491 VanDerWaalsContact CE1-O 3.26Å; P491-C493 PolarHBondContact O-N 3.26Å |
| 492 | P | 70.2 | Confident | 55.4 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 131.8 | 177.9 | -22.7 | 31.8 | 0 | 0 | 0 | 111.6 | N494 | P492-N494 PolarHBondContact O-N 2.77Š|
| 493 | C | 54.3 | Low | 53.3 | Low | 76 Ų | 76 | 101.2 Ų | 101.2 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | trans | -63.4 | 107.7 | 170 | -84.4 | 0 | 0 | 0 | 0 | 109.5 | P491 R495 | P491-C493 PolarHBondContact O-N 3.26Å; C493-R495 PolarHBondContact O-N 2.61Å | ||
| 494 | N | 41.3 | Very low | 51.2 | Low | 144 Ų | 144 | 107 Ų | 107 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | trans | -62.2 | 99.5 | 162.9 | -78.1 | -14.2 | 0 | 0 | 0 | 107.5 | P492 E496 | P492-N494 PolarHBondContact O-N 2.77Å; N494-E496 PolarHBondContact O-N 2.74Å | ||
| 495 | R | 33.7 | Very low | 49 | Very low | 233 Ų | 233 | 108 Ų | 108 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | trans | -62.2 | 107.7 | 159.8 | -71.8 | -176.3 | -173.1 | 176.5 | 2.1 | 105.7 | C493 | C493-R495 PolarHBondContact O-N 2.61Š| ||
| 496 | E | 26.5 | Very low | 47.2 | Very low | 176 Ų | 176 | 109.7 Ų | 109.7 | 82% | 0.822 | 60% | 0.599 | S | S | * | * | trans | -52.8 | 130.3 | 166 | -71.5 | -133.5 | 152.9 | 0 | 0 | 107.7 | N494 E498 | N494-E496 PolarHBondContact O-N 2.74Å; E496-E498 PolarHBondContact O-N 2.78Å | ||
| 497 | P | 26.7 | Very low | 45.2 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | trans | -61.6 | 126.4 | 171.1 | 24.4 | -28.8 | 0 | 0 | 0 | 107.4 | F499 | P497-F499 VanDerWaalsContact C-N 3.31Å; P497-F499 PolarHBondContact O-N 3.24Å | ||
| 498 | E | 26.4 | Very low | 42.7 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 67% | 0.67 | S | S | * | * | trans | -52.9 | 97.7 | 168.8 | -74 | -178.2 | 161.2 | 0 | 0 | 108.7 | E496 N500 | E496-E498 PolarHBondContact O-N 2.78Å; E498-N500 VanDerWaalsContact C-N 3.31Å; E498-N500 PolarHBondContact O-N 2.89Å | ||
| 499 | F | 28 | Very low | 40.6 | Very low | 189 Ų | 189 | 122.6 Ų | 122.6 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | trans | -69.7 | 97 | 165.7 | -98.8 | -85.7 | 0 | 0 | 0 | 106.7 | P497 A501 | P497-F499 VanDerWaalsContact C-N 3.31Å; P497-F499 PolarHBondContact O-N 3.24Å; F499-A501 VanDerWaalsContact C-N 3.34Å; F499-A501 PolarHBondContact O-N 3.36Å | ||
| 500 | N | 29 | Very low | 38.6 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -53.6 | 103.4 | 158 | -85.2 | -36.8 | 0 | 0 | 0 | 107.5 | E498 I502 | E498-N500 VanDerWaalsContact C-N 3.31Å; E498-N500 PolarHBondContact O-N 2.89Å; N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3.28Å | ||
| 501 | A | 29.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -63 | 92 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F499 A503 | F499-A501 VanDerWaalsContact C-N 3.34Å; F499-A501 PolarHBondContact O-N 3.36Å; A501-A503 PolarHBondContact O-N 3.48Å | ||
| 502 | I | 30.8 | Very low | 34.5 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 113.8 | 159.8 | -64 | 171.5 | 0 | 0 | 0 | 106.1 | N500 | N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3.28Å | ||
| 503 | A | 28.8 | Very low | 32.7 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | A501 | A501-A503 PolarHBondContact O-N 3.48Š|
| 504 | P | 34.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 129.1 | 174.6 | -9 | 25.8 | 0 | 0 | 0 | 111.1 | ||
| 505 | V | 30.7 | Very low | 31.3 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.1 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 506 | P | 32.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 123.2 | -177.4 | 30.9 | -30.7 | 0 | 0 | 0 | 112.4 | ||
| 507 | S | 36.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 127.6 | 169.5 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 508 | K | 30.4 | Very low | 31.8 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.8 | 174.5 | -69.1 | 173.5 | 173.2 | 176.4 | 0 | 112.6 | ||
| 509 | A | 35 | Very low | 32 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -168.8 | 129.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 510 | A | 34.9 | Very low | 32.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 5.4 | 117.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 511 | S | 30.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | 73.3 | 103.5 | 79.1 | 91.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 512 | S | 34.9 | Very low | 32.3 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -160.6 | 130.4 | 136.7 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 513 | N | 32.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -54.2 | 140.9 | -171.9 | -77.2 | -28.7 | 0 | 0 | 0 | 116.5 | ||||
| 514 | N | 35.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 129 Ų | 129 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | -161.6 | 131.2 | 116.3 | -94.4 | -18.5 | 0 | 0 | 0 | 110.4 | |||||
| 515 | G | 31.2 | Very low | 32 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -79 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 516 | P | 35.3 | Very low | 32 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -113 | 162.1 | -137.6 | 39 | -31 | 0 | 0 | 0 | 114.9 | ||||
| 517 | V | 31.8 | Very low | 31.8 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | -135.1 | 116.9 | 152.5 | -176 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 518 | S | 28.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -80.5 | 133.7 | 177.7 | 51.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 519 | V | 31.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -136.8 | 122.3 | 149.4 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 520 | S | 30.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 128.1 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 521 | S | 30.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -95.4 | 97.3 | 157 | 55.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 522 | S | 30.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | trans | -84.7 | 124.8 | 165.2 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 523 | S | 29.5 | Very low | 32 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -46.2 | 129.2 | 165.9 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 524 | W | 29.2 | Very low | 32 | Very low | 224 Ų | 224 | 126.4 Ų | 126.4 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -102.9 | 88.8 | 162 | -82 | 46.4 | 0 | 0 | 0 | 108.7 | ||||
| 525 | S | 28.5 | Very low | 32.1 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 107.8 | 156.2 | 50.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 526 | N | 31.9 | Very low | 32.4 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -103.6 | 93.2 | 166.5 | -97 | -8.2 | 0 | 0 | 0 | 109.2 | ||||
| 527 | S | 28.4 | Very low | 32.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -87.8 | 113.8 | 152.5 | 52.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 528 | T | 32.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -100.1 | 130.3 | 171 | -36.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 529 | L | 30.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 151 | -174.1 | -69.7 | 83.4 | 0 | 0 | 0 | 113.5 | ||||
| 530 | S | 33 | Very low | 33.3 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -136.2 | 132.5 | 136.3 | 80.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 531 | S | 32.9 | Very low | 33.7 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -71.7 | 150.5 | -163.7 | 48.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 532 | S | 37.2 | Very low | 34 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -142.3 | 139.7 | 145.2 | 44.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 533 | P | 41.2 | Very low | 34.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -94.9 | 147.9 | -172.1 | 28.6 | -16.8 | 0 | 0 | 0 | 113.4 | ||||
| 534 | T | 31.2 | Very low | 35.4 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 146.4 | 176.9 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 535 | S | 39 | Very low | 35.9 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -144.4 | 135.8 | 140 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 536 | S | 35.9 | Very low | 36.5 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -68.8 | 153.4 | -176.5 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 537 | S | 36.3 | Very low | 36.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 167.4 | 154.3 | 69.7 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 538 | R | 34.5 | Very low | 37.5 | Very low | 243 Ų | 243 | 131.3 Ų | 131.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | 78.8 | 107 | 152.6 | -78.8 | 179 | 169.9 | -156.8 | -2.7 | 122.2 | ||||
| 539 | S | 33.8 | Very low | 38 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -79.2 | -168.8 | 152.2 | -15.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 540 | P | 43.6 | Very low | 38.5 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | cis | -144.3 | -171.9 | -19.5 | 33.1 | -10 | 0 | 0 | 0 | 115.6 | ||||
| 541 | K | 37.1 | Very low | 39.2 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | 90.9 | 118.1 | 150.8 | -71.7 | 178.6 | 177.8 | -179.3 | 0 | 121 | ||||
| 542 | A | 38.7 | Very low | 39.6 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | 173.2 | 139.9 | 109.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 543 | T | 39.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -100.9 | -165.7 | -177.6 | 34.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 544 | P | 47.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | -136.8 | -158.1 | -66.8 | 43.5 | -24.5 | 0 | 0 | 0 | 114 | |||||
| 545 | S | 39.8 | Very low | 40.9 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 90 | 142.3 | 165.9 | 74.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 546 | S | 41.1 | Very low | 41.4 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -163.3 | 140.6 | 35.4 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 547 | E | 40.9 | Very low | 42 | Very low | 202 Ų | 202 | 131.9 Ų | 131.9 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | 80 | 133.2 | 110.8 | -72.1 | -169 | 159.7 | 0 | 0 | 119.4 | |||||
| 548 | G | 42.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 156.8 | 75.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 549 | A | 42.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | 60.2 | 129.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 550 | K | 40.2 | Very low | 43.2 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -78.5 | -169.8 | 171.1 | -100.8 | 179.6 | -177.2 | 178.5 | 0 | 113.3 | ||||
| 551 | P | 47.3 | Very low | 43.2 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | cis | -145.4 | 161.3 | -29.7 | 38.2 | -19 | 0 | 0 | 0 | 117.1 | ||||
| 552 | S | 41.4 | Very low | 43.5 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | 49.4 | 174.6 | 131.5 | 74.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 553 | P | 49.6 | Very low | 43.8 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | cis | -138.4 | -166.2 | -34.8 | 26.8 | -2.2 | 0 | 0 | 0 | 114 | ||||
| 554 | T | 41.8 | Very low | 44 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | 90.7 | 141.2 | 157.2 | 72.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 555 | N | 45.2 | Very low | 43.7 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | cis | -167.2 | 176.8 | -24.7 | -125.5 | 0.2 | 0 | 0 | 0 | 106.4 | ||||
| 556 | P | 49.3 | Very low | 44 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | trans | -105.4 | 167.7 | -144.9 | 41.4 | -37.8 | 0 | 0 | 0 | 115.3 | ||||
| 557 | V | 48.4 | Very low | 44.2 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 92% | 0.915 | 83% | 0.829 | S | S | * | * | trans | -145.8 | 138.4 | 151.1 | -177 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 558 | R | 40 | Very low | 44.5 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -77.4 | 178.8 | -176.4 | -113.4 | -166.1 | -178.7 | -146.8 | 1.3 | 113.6 | ||||
| 559 | P | 48.1 | Very low | 44.6 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | trans | -92.7 | 167.4 | -151.1 | 38.1 | -38.7 | 0 | 0 | 0 | 115.7 | ||||
| 560 | R | 41.9 | Very low | 44.8 | Very low | 320 Ų | 320 | 155.5 Ų | 155.5 | 100% | 1.208 | 81% | 0.812 | S | S | * | * | trans | -115.8 | 0 | 137.6 | -92.2 | -170.7 | 178.8 | -159.1 | -0.2 | 108.6 |
Retrieved 560 of 560 residues in 1312.1 ms
(Link to these results)