| 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 | 40.1 | Very low | 41.6 | Very low | 234 Ų | 234 | 137 Ų | 137 | 100% | 1.153 | 81% | 0.813 | S | S | * | * | 0 | 115.4 | 0 | -67 | 170.1 | 178.8 | 0 | 0 | 105.8 | |||||
| 2 | S | 39.1 | Very low | 41.6 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -93.9 | 122.7 | -179.3 | -50.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | L | 39.5 | Very low | 41.7 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -82.9 | 126.3 | 169.1 | -85.3 | 78.1 | 0 | 0 | 0 | 108.2 | ||||
| 4 | D | 43.3 | Very low | 41.9 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 110.6 | 177.1 | -167.5 | 13.8 | 0 | 0 | 0 | 108.6 | G6 | D4-G6 VanDerWaalsContact C-N 3.35Å; D4-G6 PolarHBondContact O-N 3.46Å; D4-G6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | F | 40.4 | Very low | 42 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | -84.5 | 80.8 | 178.7 | -89.1 | -86.8 | 0 | 0 | 0 | 109.6 | S7 | F5-S7 PolarHBondContact O-N 3.43Š| ||
| 6 | G | 40.5 | Very low | 42.7 | Very low | 59 Ų | 59 | 136.9 Ų | 136.9 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | trans | -61.3 | 114.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | D4 V8 | D4-G6 VanDerWaalsContact C-N 3.35Å; D4-G6 PolarHBondContact O-N 3.46Å; D4-G6 VanDerWaalsContact O-N 3.12Å; G6-V8 PolarHBondContact O-N 3.38Å | ||
| 7 | S | 43.7 | Very low | 43.8 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 95.8 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | F5 A9 | F5-S7 PolarHBondContact O-N 3.43Å; S7-A9 PolarHBondContact O-N 3.37Å; S7-A9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | V | 43.6 | Very low | 44.9 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 101.2 | 166 | 178.8 | 0 | 0 | 0 | 0 | 108 | G6 L10 | G6-V8 PolarHBondContact O-N 3.38Å; V8-L10 PolarHBondContact O-N 3.42Å | ||
| 9 | A | 44.3 | Very low | 46 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S7 | S7-A9 PolarHBondContact O-N 3.37Å; S7-A9 VanDerWaalsContact O-N 3.15Å |
| 10 | L | 39.8 | Very low | 47.7 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 145.1 | 168.4 | -66.1 | 173.8 | 0 | 0 | 0 | 109.1 | V8 V12 | V8-L10 PolarHBondContact O-N 3.42Å; L10-V12 PolarHBondContact O-N 3.2Å |
| 11 | P | 43.2 | Very low | 49.4 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.7 | 168.3 | 28.4 | -32.6 | 0 | 0 | 0 | 108.3 | Q13 | P11-Q13 PolarHBondContact O-N 3.08Š|
| 12 | V | 41.8 | Very low | 51.6 | Low | 124 Ų | 124 | 134.2 Ų | 134.2 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -67.7 | 105.8 | 168.4 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | L10 N14 | L10-V12 PolarHBondContact O-N 3.2Å; V12-N14 PolarHBondContact O-N 3.09Å | ||
| 13 | Q | 42.5 | Very low | 54 | Low | 142 Ų | 142 | 130.8 Ų | 130.8 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | -67.2 | 112 | 157.6 | -83.3 | 165.8 | -118.4 | 0 | 0 | 106.2 | P11 E15 | P11-Q13 PolarHBondContact O-N 3.08Å; Q13-E15 PolarHBondContact NE2-OE1 2.91Å; Q13-E15 PolarHBondContact O-N 3.33Å | ||
| 14 | N | 44.2 | Very low | 56.4 | Low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | -71.7 | 82.1 | 159.5 | -69.8 | 3.1 | 0 | 0 | 0 | 106.5 | V12 D16 | V12-N14 PolarHBondContact O-N 3.09Å; N14-D16 PolarHBondContact O-N 3.35Å | ||
| 15 | E | 44.8 | Very low | 58.7 | Low | 129 Ų | 129 | 128.1 Ų | 128.1 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | trans | -82.9 | 101.9 | 155.1 | -81.6 | 163.8 | -144.5 | 0 | 0 | 105.2 | Q13 E17 | Q13-E15 PolarHBondContact NE2-OE1 2.91Å; Q13-E15 PolarHBondContact O-N 3.33Å; E15-E17 PolarHBondContact O-N 2.71Å | ||
| 16 | D | 53.2 | Low | 61.2 | Low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -66 | 91.4 | 165.3 | -68.2 | -55.2 | 0 | 0 | 0 | 106 | N14 E18 | N14-D16 PolarHBondContact O-N 3.35Å; D16-E18 PolarHBondContact O-N 3.39Å | ||
| 17 | E | 60.6 | Low | 63.5 | Low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | trans | -64.8 | 85.2 | 177.2 | -71.6 | 178.4 | 156.7 | 0 | 0 | 109.2 | E15 Y19 | E15-E17 PolarHBondContact O-N 2.71Å; E17-Y19 PolarHBondContact O-N 2.94Å | ||
| 18 | E | 63.5 | Low | 65.7 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 87% | 0.869 | 63% | 0.628 | S | S | * | * | trans | -64.3 | 96.6 | 172.7 | -176 | 167.6 | -145.2 | 0 | 0 | 108.5 | D16 D20 | D16-E18 PolarHBondContact O-N 3.39Å; E18-D20 PolarHBondContact O-N 2.87Å | ||
| 19 | Y | 65.2 | Low | 68 | Low | 128 Ų | 128 | 125.6 Ų | 125.6 | 50% | 0.502 | 62% | 0.621 | S | S | . | * | trans | -53.2 | 106.7 | -177.6 | -144.1 | -92.7 | 0 | 0 | 0 | 110 | E17 D23 Y24 | E17-Y19 PolarHBondContact O-N 2.94Å; Y19-D23 HydrophobicContact CD1-CB 3.95Å; Y19-D23 HydrophobicContact CE1-CB 3.71Å; Y19-Y24 AromaticContact CD1-CD2 3.73Å; Y19-Y24 HydrophobicContact CD1-CD2 3.73Å; Y19-Y24 AromaticContact CD1-CE2 3.87Å; Y19-Y24 HydrophobicContact CD1-CE2 3.87Å; Y19-Y24 HydrophobicContact CD1-CG 4.22Å | ||
| 20 | D | 81.2 | Confident | 70.1 | Confident | 82 Ų | 82 | 125.5 Ų | 125.5 | 44% | 0.439 | 61% | 0.607 | S | S | . | * | trans | -81.6 | 171 | -169.3 | 81.6 | 17 | 0 | 0 | 0 | 112.6 | E18 E22 D23 Y24 | E18-D20 PolarHBondContact O-N 2.87Å; D20-E22 PolarHBondContact O-N 2.64Å; D20-E22 WeakPolarHBondContact OD1-CA 3.45Å; D20-E22 VanDerWaalsContact OD1-CB 3.25Å; D20-E22 WeakPolarHBondContact OD1-CB 3.49Å; D20-E22 PolarHBondContact OD1-N 3.49Å; D20-D23 PolarHBondContact O-N 2.94Å; D20-D23 PolarHBondContact OD1-N 3.34Å; D20-Y24 PolarHBondContact O-N 3.11Å | ||
| 21 | E | 83.3 | Confident | 72.3 | Confident | 167 Ų | 167 | 123.7 Ų | 123.7 | 78% | 0.78 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -16.6 | -177.4 | -163.5 | 135.5 | -160.7 | 0 | 0 | 112.5 | E25 | E21-E25 PolarHBondContact O-N 2.95Å |
| 22 | E | 86.4 | Confident | 74.4 | Confident | 126 Ų | 126 | 123.4 Ų | 123.4 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.1 | -47.1 | 171.1 | -160.3 | -171.9 | 113.3 | 0 | 0 | 110.3 | D20 Y24 E25 R26 | D20-E22 PolarHBondContact O-N 2.64Å; D20-E22 WeakPolarHBondContact OD1-CA 3.45Å; D20-E22 VanDerWaalsContact OD1-CB 3.25Å; D20-E22 WeakPolarHBondContact OD1-CB 3.49Å; D20-E22 PolarHBondContact OD1-N 3.49Å; E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 2.86Å; E22-E25 PolarHBondContact O-N 2.86Å; E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.29Å; E22-R26 PolarHBondContact O-N 3.24Å; E22-R26 IonicContact OE1-CZ 3.61Å; E22-R26 IonicContact OE1-NH1 3.71Å; E22-R26 PolarHBondContact OE1-NH1 3.4Å; E22-R26 IonicContact OE1-NH2 3.29Å; E22-R26 PolarHBondContact OE1-NH2 3.14Å |
| 23 | D | 89.9 | Confident | 76.3 | Confident | 55 Ų | 55 | 123 Ų | 123 | 29% | 0.294 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -34.7 | 176.4 | -79.6 | -22.1 | 0 | 0 | 0 | 112.7 | Y19 D20 R26 E27 | Y19-D23 HydrophobicContact CD1-CB 3.95Å; Y19-D23 HydrophobicContact CE1-CB 3.71Å; D20-D23 PolarHBondContact O-N 2.94Å; D20-D23 PolarHBondContact OD1-N 3.34Å; D23-R26 WeakPolarHBondContact O-CB 3.31Å; D23-R26 PolarHBondContact O-N 2.95Å; D23-R26 IonicContact OD1-CZ 3.05Å; D23-R26 IonicContact OD1-NE 2.61Å; D23-R26 PolarHBondContact OD1-NE 3.15Å; D23-R26 IonicContact OD1-NH2 2.7Å; D23-R26 PolarHBondContact OD1-NH2 2.91Å; D23-E27 WeakPolarHBondContact O-CB 3.47Å; D23-E27 PolarHBondContact O-N 2.9Å |
| 24 | Y | 88.6 | Confident | 78 | Confident | 154 Ų | 154 | 122 Ų | 122 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.4 | -41.9 | 171.8 | -102.1 | -69.6 | 0 | 0 | 0 | 113.4 | Y19 D20 E22 K28 | Y19-Y24 AromaticContact CD1-CD2 3.73Å; Y19-Y24 HydrophobicContact CD1-CD2 3.73Å; Y19-Y24 AromaticContact CD1-CE2 3.87Å; Y19-Y24 HydrophobicContact CD1-CE2 3.87Å; Y19-Y24 HydrophobicContact CD1-CG 4.22Å; D20-Y24 PolarHBondContact O-N 3.11Å; E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 2.86Å; Y24-K28 WeakPolarHBondContact O-CB 3.38Å; Y24-K28 PolarHBondContact O-N 3.36Å |
| 25 | E | 91.9 | Very high | 79.6 | Confident | 98 Ų | 98 | 120.3 Ų | 120.3 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.1 | -31.6 | 174.8 | -75.9 | -67.4 | 146 | 0 | 0 | 112 | E21 E22 K28 E29 | E21-E25 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 2.87Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 2.72Å; E25-K28 IonicContact OE2-NZ 3.41Å; E25-K28 PolarHBondContact OE2-NZ 3.48Å; E25-E29 PolarHBondContact O-N 2.91Å |
| 26 | R | 92.1 | Very high | 81 | Confident | 112 Ų | 112 | 119.5 Ų | 119.5 | 42% | 0.423 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.3 | -48.4 | 175.8 | -153.7 | -168.3 | -43.3 | -73.3 | 6 | 111.9 | E22 D23 K28 E29 L30 | E22-R26 VanDerWaalsContact O-CB 3.31Å; E22-R26 WeakPolarHBondContact O-CB 3.29Å; E22-R26 PolarHBondContact O-N 3.24Å; E22-R26 IonicContact OE1-CZ 3.61Å; E22-R26 IonicContact OE1-NH1 3.71Å; E22-R26 PolarHBondContact OE1-NH1 3.4Å; E22-R26 IonicContact OE1-NH2 3.29Å; E22-R26 PolarHBondContact OE1-NH2 3.14Å; D23-R26 WeakPolarHBondContact O-CB 3.31Å; D23-R26 PolarHBondContact O-N 2.95Å; D23-R26 IonicContact OD1-CZ 3.05Å; D23-R26 IonicContact OD1-NE 2.61Å; D23-R26 PolarHBondContact OD1-NE 3.15Å; D23-R26 IonicContact OD1-NH2 2.7Å; D23-R26 PolarHBondContact OD1-NH2 2.91Å; R26-K28 VanDerWaalsContact C-N 3.29Å; R26-K28 PolarHBondContact O-N 2.57Å; R26-E29 PolarHBondContact O-N 3.28Å; R26-L30 WeakPolarHBondContact O-CB 3.39Å; R26-L30 PolarHBondContact O-N 3.21Å |
| 27 | E | 90.4 | Very high | 82 | Confident | 79 Ų | 79 | 117.1 Ų | 117.1 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | 174.7 | 175.5 | 59.1 | -157.6 | 0 | 0 | 111.4 | D23 L30 Q31 | D23-E27 WeakPolarHBondContact O-CB 3.47Å; D23-E27 PolarHBondContact O-N 2.9Å; E27-L30 WeakPolarHBondContact O-CB 3.36Å; E27-L30 PolarHBondContact O-N 3.44Å; E27-Q31 WeakPolarHBondContact O-CG 3.44Å; E27-Q31 PolarHBondContact O-N 3.24Å; E27-Q31 PolarHBondContact OE1-NE2 3.43Å |
| 28 | K | 90.1 | Very high | 82.2 | Confident | 116 Ų | 116 | 112.6 Ų | 112.6 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 177.4 | 171.7 | 166.1 | 157.2 | -100.3 | 0 | 113.2 | Y24 E25 R26 L30 Q32 | Y24-K28 WeakPolarHBondContact O-CB 3.38Å; Y24-K28 PolarHBondContact O-N 3.36Å; E25-K28 PolarHBondContact O-N 2.87Å; E25-K28 IonicContact OE1-NZ 2.72Å; E25-K28 PolarHBondContact OE1-NZ 2.72Å; E25-K28 IonicContact OE2-NZ 3.41Å; E25-K28 PolarHBondContact OE2-NZ 3.48Å; R26-K28 VanDerWaalsContact C-N 3.29Å; R26-K28 PolarHBondContact O-N 2.57Å; K28-L30 VanDerWaalsContact C-N 3.34Å; K28-Q32 PolarHBondContact O-N 3.28Å; K28-Q32 VanDerWaalsContact O-N 3.07Å |
| 29 | E | 90.8 | Very high | 81.9 | Confident | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 168.9 | -176.1 | 174.2 | -157.9 | 0 | 0 | 111 | E25 R26 Q32 L33 | E25-E29 PolarHBondContact O-N 2.91Å; R26-E29 PolarHBondContact O-N 3.28Å; E29-Q32 PolarHBondContact O-N 3.15Å; E29-L33 HydrophobicContact CG-CD1 4.14Å; E29-L33 WeakPolarHBondContact O-CG 3.17Å; E29-L33 PolarHBondContact O-N 3.09Å |
| 30 | L | 89 | Confident | 81.4 | Confident | 89 Ų | 89 | 112.3 Ų | 112.3 | 47% | 0.466 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.9 | -43.6 | 178.2 | -139.5 | 162.4 | 0 | 0 | 0 | 112 | R26 E27 K28 L33 L34 | R26-L30 WeakPolarHBondContact O-CB 3.39Å; R26-L30 PolarHBondContact O-N 3.21Å; E27-L30 WeakPolarHBondContact O-CB 3.36Å; E27-L30 PolarHBondContact O-N 3.44Å; K28-L30 VanDerWaalsContact C-N 3.34Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-L34 HydrophobicContact CD2-CD1 3.81Å; L30-L34 HydrophobicContact CD2-CG 4.27Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.86Å |
| 31 | Q | 85.3 | Confident | 80.1 | Confident | 108 Ų | 108 | 115.1 Ų | 115.1 | 51% | 0.505 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -34.7 | 174.7 | -71.7 | 178.3 | 20.2 | 0 | 0 | 112.9 | E27 T35 | E27-Q31 WeakPolarHBondContact O-CG 3.44Å; E27-Q31 PolarHBondContact O-N 3.24Å; E27-Q31 PolarHBondContact OE1-NE2 3.43Å; Q31-T35 WeakPolarHBondContact O-CB 3.47Å; Q31-T35 PolarHBondContact O-N 3.11Å; Q31-T35 VanDerWaalsContact O-N 3.15Å; Q31-T35 PolarHBondContact O-OG1 2.87Å |
| 32 | Q | 86.8 | Confident | 78.8 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.9 | -46.5 | 173.5 | -172.1 | 65.1 | 45.2 | 0 | 0 | 110.8 | K28 E29 L34 T35 D36 | K28-Q32 PolarHBondContact O-N 3.28Å; K28-Q32 VanDerWaalsContact O-N 3.07Å; E29-Q32 PolarHBondContact O-N 3.15Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.44Å; Q32-T35 PolarHBondContact O-N 2.92Å; Q32-D36 PolarHBondContact NE2-OD1 3.33Å; Q32-D36 VanDerWaalsContact NE2-OD1 3.13Å; Q32-D36 PolarHBondContact NE2-OD2 3.13Å; Q32-D36 PolarHBondContact O-N 2.86Å |
| 33 | L | 82.6 | Confident | 77 | Confident | 116 Ų | 116 | 114.5 Ų | 114.5 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -34.4 | 176.6 | -72.8 | 167.8 | 0 | 0 | 0 | 113.3 | E29 L30 T35 | E29-L33 HydrophobicContact CG-CD1 4.14Å; E29-L33 WeakPolarHBondContact O-CG 3.17Å; E29-L33 PolarHBondContact O-N 3.09Å; L30-L33 PolarHBondContact O-N 3.31Å; L33-T35 VanDerWaalsContact C-N 3.31Å |
| 34 | L | 77.8 | Confident | 75.1 | Confident | 119 Ų | 119 | 118.6 Ų | 118.6 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.8 | -24.4 | 173.4 | -74.6 | 167.8 | 0 | 0 | 0 | 113.2 | L30 Q32 | L30-L34 HydrophobicContact CD2-CD1 3.81Å; L30-L34 HydrophobicContact CD2-CG 4.27Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.86Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.44Å |
| 35 | T | 77.6 | Confident | 73.1 | Confident | 101 Ų | 101 | 118.6 Ų | 118.6 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -91.5 | -35 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | Q31 Q32 L33 L37 | Q31-T35 WeakPolarHBondContact O-CB 3.47Å; Q31-T35 PolarHBondContact O-N 3.11Å; Q31-T35 VanDerWaalsContact O-N 3.15Å; Q31-T35 PolarHBondContact O-OG1 2.87Å; Q32-T35 PolarHBondContact O-N 2.92Å; L33-T35 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact O-N 2.87Å |
| 36 | D | 75.1 | Confident | 71 | Confident | 112 Ų | 112 | 121.7 Ų | 121.7 | 60% | 0.599 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -81.1 | 2.6 | 177.5 | -72 | -24.8 | 0 | 0 | 0 | 113.4 | Q32 | Q32-D36 PolarHBondContact NE2-OD1 3.33Å; Q32-D36 VanDerWaalsContact NE2-OD1 3.13Å; Q32-D36 PolarHBondContact NE2-OD2 3.13Å; Q32-D36 PolarHBondContact O-N 2.86Å |
| 37 | L | 72.9 | Confident | 68.6 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -68.6 | 124.1 | 177 | -163.1 | 74.3 | 0 | 0 | 0 | 110.3 | T35 H39 | T35-L37 PolarHBondContact O-N 2.87Å; L37-H39 PolarHBondContact O-N 2.91Å |
| 38 | P | 65.8 | Low | 66.3 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 51% | 0.506 | 65% | 0.651 | S | S | . | * | trans | -65.4 | 129.9 | -176.8 | 26.3 | -34.2 | 0 | 0 | 0 | 111 | D40 M41 | P38-D40 PolarHBondContact O-N 2.89Å; P38-D40 VanDerWaalsContact O-N 3.17Å; P38-M41 PolarHBondContact O-N 3.33Å | ||
| 39 | H | 57.9 | Low | 64.2 | Low | 152 Ų | 152 | 122.8 Ų | 122.8 | 70% | 0.704 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -63.7 | -19.2 | 179.1 | -76.7 | 34.2 | 0 | 0 | 0 | 113.4 | L37 M41 L42 | L37-H39 PolarHBondContact O-N 2.91Å; H39-M41 PolarHBondContact O-N 3.49Å; H39-L42 PolarHBondContact O-N 3.5Å |
| 40 | D | 54.8 | Low | 61.6 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -58.4 | 2.8 | 175.4 | -110.1 | 23 | 0 | 0 | 0 | 115 | P38 | P38-D40 PolarHBondContact O-N 2.89Å; P38-D40 VanDerWaalsContact O-N 3.17Å |
| 41 | M | 53.8 | Low | 59 | Low | 140 Ų | 140 | 129.5 Ų | 129.5 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -114 | 7.7 | 175.8 | -71.8 | -170 | 63.8 | 0 | 0 | 114.2 | P38 H39 | P38-M41 PolarHBondContact O-N 3.33Å; H39-M41 PolarHBondContact O-N 3.49Å |
| 42 | L | 55.7 | Low | 56.7 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -108.7 | -10.4 | 178.6 | -63.7 | 178.9 | 0 | 0 | 0 | 114.2 | H39 | H39-L42 PolarHBondContact O-N 3.5Š|
| 43 | D | 48.1 | Very low | 54.3 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -96.6 | 20.7 | -176.3 | -69.2 | -14.9 | 0 | 0 | 0 | 113.5 | D45 | D43-D45 PolarHBondContact O-N 3.03Š| ||
| 44 | D | 50.3 | Low | 51.9 | Low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -74.4 | 88.5 | 170.4 | -97.4 | -23.5 | 0 | 0 | 0 | 110.4 | L46 | D44-L46 PolarHBondContact O-N 3.5Š| ||
| 45 | D | 47.3 | Very low | 50 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -59.3 | 97.7 | 178.2 | -115 | -30 | 0 | 0 | 0 | 111.8 | D43 S47 | D43-D45 PolarHBondContact O-N 3.03Å; D45-S47 PolarHBondContact O-N 3.43Å | ||
| 46 | L | 47.4 | Very low | 47.9 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -74.1 | 60.5 | -178.5 | -71.3 | 179.6 | 0 | 0 | 0 | 113.6 | D44 | D44-L46 PolarHBondContact O-N 3.5Š| ||
| 47 | S | 40.5 | Very low | 46 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -105.8 | 69.3 | 169.1 | -71.5 | 0 | 0 | 0 | 0 | 111.4 | D45 | D45-S47 PolarHBondContact O-N 3.43Š| ||
| 48 | S | 43.5 | Very low | 44.3 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.9 | 173.1 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 49 | P | 44.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 144.4 | 163.9 | -15.8 | 30.7 | 0 | 0 | 0 | 110.7 | ||
| 50 | E | 36.4 | Very low | 41.7 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.4 | -176 | -63.9 | 178.1 | 116 | 0 | 0 | 112.9 | Q52 | E50-Q52 PolarHBondContact O-N 2.92Å; E50-Q52 VanDerWaalsContact O-N 3.16Å |
| 51 | L | 34.6 | Very low | 40.8 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -68.4 | 107 | 171.8 | -77 | 164.7 | 0 | 0 | 0 | 110.5 | ||||
| 52 | Q | 36.8 | Very low | 40.1 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.4 | 161.1 | -68.7 | -167.5 | -3.6 | 0 | 0 | 110.1 | E50 S54 | E50-Q52 PolarHBondContact O-N 2.92Å; E50-Q52 VanDerWaalsContact O-N 3.16Å; Q52-S54 PolarHBondContact O-N 2.89Å |
| 53 | Y | 35.9 | Very low | 39.1 | Very low | 231 Ų | 231 | 140 Ų | 140 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 129.2 | -171.4 | -82.4 | -115.3 | 0 | 0 | 0 | 111.7 | ||
| 54 | S | 32.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 129.4 | 163.1 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | Q52 | Q52-S54 PolarHBondContact O-N 2.89Š|
| 55 | D | 36.9 | Very low | 38.7 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -129.5 | 152.9 | 165.6 | -161.5 | 0.4 | 0 | 0 | 0 | 108.2 | ||||
| 56 | C | 34.6 | Very low | 37.9 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | -116.8 | 133.9 | -160.2 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 57 | S | 35.3 | Very low | 37.1 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 168.7 | 142.9 | 111.2 | -112.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 58 | E | 37.1 | Very low | 37.5 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | 57.5 | 104.6 | 126.4 | -157.9 | 164.7 | -143.5 | 0 | 0 | 121.1 | |||||
| 59 | D | 35.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | 173.5 | 163.5 | 104.1 | -169.2 | 19.1 | 0 | 0 | 0 | 110.6 | |||||
| 60 | G | 33.9 | Very low | 36.3 | Very low | 60 Ų | 60 | 147.2 Ų | 147.2 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 118.2 | 100.6 | 162 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 61 | T | 36.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -36.5 | 147.6 | 158.3 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 62 | D | 38.4 | Very low | 35.9 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | -174 | 173.3 | 64.4 | -129.6 | -23.2 | 0 | 0 | 0 | 114.4 | |||||
| 63 | G | 33.7 | Very low | 35.7 | Very low | 62 Ų | 62 | 144.7 Ų | 144.7 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | 111.7 | 17.6 | 124.9 | 0 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 64 | Q | 34.9 | Very low | 35.5 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | 67 | 167.9 | 165 | -88.6 | -158.1 | -97.5 | 0 | 0 | 119.9 | ||||
| 65 | P | 55.8 | Low | 35.4 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | trans | -114.6 | 175.5 | -165.3 | 42.9 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 66 | H | 30.3 | Very low | 35.2 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -170.9 | 139 | 135.4 | -100.3 | -68.2 | 0 | 0 | 0 | 114.6 | ||||
| 67 | H | 31.8 | Very low | 35.1 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 17.2 | 149.1 | 157 | -94.7 | -103.2 | 0 | 0 | 0 | 125.5 | ||||
| 68 | P | 47.7 | Very low | 35 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -102.1 | 149.9 | 170.1 | 39 | -32.6 | 0 | 0 | 0 | 115 | ||||
| 69 | E | 31.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -154.4 | 122.8 | 166.2 | -105.4 | 175.8 | 167.9 | 0 | 0 | 108.5 | ||||
| 70 | Q | 31.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 91.7 | 110.3 | 94.1 | -88.2 | -175 | 22.3 | 0 | 0 | 116.4 | |||||
| 71 | L | 33.8 | Very low | 35.3 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 176.5 | 123.9 | 137.8 | -117.4 | 66 | 0 | 0 | 0 | 105 | ||||
| 72 | E | 29.9 | Very low | 35.3 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | 67.9 | 104.5 | 32.2 | -163.9 | 172.4 | -135.8 | 0 | 0 | 114.8 | ||||
| 73 | M | 32.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | trans | 166 | 94 | 150 | -94.2 | 171.7 | -171 | 0 | 0 | 107.5 | ||||
| 74 | S | 30.3 | Very low | 35 | Very low | 100 Ų | 100 | 159.5 Ų | 159.5 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | 89.3 | 93.9 | 79 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 75 | W | 32.6 | Very low | 34.7 | Very low | 253 Ų | 253 | 155.6 Ų | 155.6 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 129.9 | 168.5 | -70.6 | 97.9 | 0 | 0 | 0 | 110.9 | ||||
| 76 | N | 31.8 | Very low | 33.4 | Very low | 141 Ų | 141 | 157.5 Ų | 157.5 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -140.6 | 125 | 159.4 | -77.7 | -60.9 | 0 | 0 | 0 | 105.4 | ||||
| 77 | E | 33 | Very low | 33.5 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 52.5 | 131.1 | 92.9 | -77.7 | -159.6 | -174.2 | 0 | 0 | 113.7 | |||||
| 78 | Q | 31.9 | Very low | 33.4 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | cis | -159.5 | 172 | 47.5 | -140.7 | 153.7 | 57 | 0 | 0 | 114.4 | ||||
| 79 | M | 32.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -99.1 | 142.4 | 178 | -83.4 | -82.4 | 179.9 | 0 | 0 | 113.3 | ||||
| 80 | L | 39.2 | Very low | 32.8 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 27.6 | 141.2 | 144.8 | -89.9 | 159.8 | 0 | 0 | 0 | 121.4 | ||||
| 81 | P | 41.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -143.1 | 169.3 | 104.1 | 38.4 | -26.1 | 0 | 0 | 0 | 116.3 | |||||
| 82 | K | 36.1 | Very low | 33.2 | Very low | 200 Ų | 200 | 153.1 Ų | 153.1 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 151.7 | 170 | -69.5 | 177.8 | 176.4 | 175.6 | 0 | 112.1 | ||||
| 83 | S | 30.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -150.4 | 158.9 | 152.7 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 84 | Q | 36.3 | Very low | 33.3 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 108.2 | -167.4 | 175.4 | -172.5 | -7.2 | 0 | 0 | 112.2 | ||||
| 85 | S | 28.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -170.8 | 135 | 158.8 | 48 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 86 | V | 29.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 56.8 | 100.3 | 135 | -174.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 87 | N | 32.4 | Very low | 33.5 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | 51.9 | 122.1 | 121.1 | -160.6 | 25.5 | 0 | 0 | 0 | 121.3 | |||||
| 88 | G | 29 | Very low | 33.4 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 135.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | Y | 31.9 | Very low | 33.4 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -101.4 | 159.1 | -168.9 | -97.7 | -112.4 | 0 | 0 | 0 | 114 | ||||
| 90 | N | 35.4 | Very low | 33.7 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | trans | 76 | 116.9 | 148.3 | -86.5 | 32.9 | 0 | 0 | 0 | 122.3 | ||||
| 91 | E | 33.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 75.9 | 107.3 | 107.9 | -162.9 | 170.5 | -140.6 | 0 | 0 | 119.7 | |||||
| 92 | I | 39.1 | Very low | 32.7 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | -140.9 | 146.4 | 128.9 | -103.7 | 161.7 | 0 | 0 | 0 | 107.8 | |||||
| 93 | Q | 33.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -125.1 | 135.3 | -160.9 | 178.7 | -176.5 | 20.7 | 0 | 0 | 112.3 | ||||
| 94 | S | 31.6 | Very low | 32.4 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | 62.4 | 127.9 | 159.6 | -166.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 95 | L | 34.2 | Very low | 32.2 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 178.4 | 103.2 | 107.1 | -94.6 | 167.4 | 0 | 0 | 0 | 111.1 | |||||
| 96 | Y | 32 | Very low | 32.3 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | -173.4 | 143.4 | 114.1 | -114.5 | -85.9 | 0 | 0 | 0 | 109 | |||||
| 97 | A | 34.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -139.2 | 142.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 98 | G | 29 | Very low | 32.6 | Very low | 73 Ų | 73 | 147.4 Ų | 147.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 133.7 | 87.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 99 | E | 33.8 | Very low | 32.8 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | -155.4 | 161.6 | 109.9 | -108.3 | 173.2 | -176.4 | 0 | 0 | 109.9 | |||||
| 100 | K | 38.8 | Very low | 32.9 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -136.8 | 126.8 | -169.6 | -79.7 | -171.9 | 175.4 | -174.9 | 0 | 112.6 | ||||
| 101 | C | 29.4 | Very low | 33 | Very low | 140 Ų | 140 | 154 Ų | 154 | 95% | 0.946 | 80% | 0.796 | S | S | * | * | trans | -165.1 | 142.3 | 141.8 | -110.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 102 | G | 28.3 | Very low | 32.9 | Very low | 49 Ų | 49 | 153.2 Ų | 153.2 | 51% | 0.505 | 80% | 0.801 | S | S | . | * | cis | 167.9 | 97.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 103 | N | 31.5 | Very low | 32.7 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 67.9 | 164 | 161 | -21.7 | -55.8 | 0 | 0 | 0 | 115 | ||||
| 104 | V | 29.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 64% | 0.642 | 80% | 0.8 | S | S | * | * | cis | -134.4 | 139.7 | -7.6 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | E106 | V104-E106 HydrophobicContact CG1-CB 4.09Š| ||
| 105 | W | 32.1 | Very low | 33 | Very low | 264 Ų | 264 | 159.6 Ų | 159.6 | 100% | 1 | 81% | 0.811 | S | S | * | * | trans | -139.3 | 113.6 | 150.3 | -81.8 | 94.9 | 0 | 0 | 0 | 107.1 | ||||
| 106 | E | 30.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 159.9 Ų | 159.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 121.3 | -171.9 | -168 | 163.5 | -120.6 | 0 | 0 | 110.5 | V104 | V104-E106 HydrophobicContact CG1-CB 4.09Š| ||
| 107 | E | 34.7 | Very low | 33.7 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 132.2 | 177.9 | -178.2 | -178.5 | -172.3 | 0 | 0 | 110.1 | R109 | E107-R109 IonicContact OE1-NE 2.67Å; E107-R109 PolarHBondContact OE1-NE 3.35Å | ||
| 108 | N | 33.4 | Very low | 33.4 | Very low | 133 Ų | 133 | 155 Ų | 155 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -131.9 | 97 | 170 | -96.3 | -74.7 | 0 | 0 | 0 | 111.7 | ||||
| 109 | R | 32.3 | Very low | 33.4 | Very low | 220 Ų | 220 | 162 Ų | 162 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -95.5 | 120.4 | 160.3 | -70.9 | 176.9 | 175.3 | -120.5 | 0.6 | 109.1 | E107 | E107-R109 IonicContact OE1-NE 2.67Å; E107-R109 PolarHBondContact OE1-NE 3.35Å | ||
| 110 | S | 33.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -123.3 | 142.7 | 168.8 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 111 | K | 38.1 | Very low | 33.9 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -113.3 | -174.6 | 177.3 | -77.2 | -173 | 173.3 | -174.9 | 0 | 110 | ||||
| 112 | T | 31.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 157.3 Ų | 157.3 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | 73.4 | 147.4 | 177.1 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 113 | E | 35.3 | Very low | 34.4 | Very low | 190 Ų | 190 | 164.1 Ų | 164.1 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | cis | -141.3 | 173.4 | 21.1 | -150.4 | 158.6 | -129.3 | 0 | 0 | 114 | ||||
| 114 | D | 35.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 159.8 Ų | 159.8 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -94.3 | 135.6 | -165 | -135 | -39.6 | 0 | 0 | 0 | 113.5 | ||||
| 115 | R | 35.5 | Very low | 34.6 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -168 | 112 | 149.5 | -122.2 | 178 | -179.8 | -162.8 | -1.7 | 116 | ||||
| 116 | H | 32.3 | Very low | 34.9 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -92.9 | 155.1 | 151.4 | -77 | -76.8 | 0 | 0 | 0 | 110.4 | V118 | H116-V118 HydrophobicContact CB-CG2 4.09Š| ||
| 117 | P | 47.7 | Very low | 35.4 | Very low | 120 Ų | 120 | 155 Ų | 155 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -127.6 | 156.7 | 85.4 | 36.8 | -27.6 | 0 | 0 | 0 | 112.9 | |||||
| 118 | V | 29.5 | Very low | 35.5 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 64% | 0.642 | 81% | 0.805 | S | S | * | * | cis | 96.2 | 124.4 | 25.9 | 170.8 | 0 | 0 | 0 | 0 | 114.6 | H116 | H116-V118 HydrophobicContact CB-CG2 4.09Š| ||
| 119 | Y | 28.2 | Very low | 35.4 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 86% | 0.863 | 81% | 0.809 | S | S | * | * | trans | 94.2 | 114.9 | 173.6 | -77.8 | -62.5 | 0 | 0 | 0 | 121.9 | ||||
| 120 | H | 33.2 | Very low | 36.1 | Very low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | -68.8 | -173.9 | 154.7 | -65.4 | -96.1 | 0 | 0 | 0 | 110.9 | ||||
| 121 | P | 50.7 | Low | 35.9 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | cis | -129.8 | -155.4 | 4.2 | 44.5 | -25.9 | 0 | 0 | 0 | 112.3 | ||||
| 122 | E | 32.1 | Very low | 36 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | cis | -154.1 | 169.9 | 3.2 | -134.8 | 120.7 | -122.5 | 0 | 0 | 106.7 | ||||
| 123 | E | 35.2 | Very low | 36.3 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | cis | -105.5 | -133.9 | -0.5 | -56.3 | 175.9 | 56.5 | 0 | 0 | 109.2 | ||||
| 124 | G | 33.5 | Very low | 36.5 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | 164.6 | 146.4 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 125 | G | 32.6 | Very low | 36.7 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | trans | 105 | 114.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 126 | D | 37.9 | Very low | 36.7 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -109.3 | 176.2 | -179.7 | -167.4 | 15.7 | 0 | 0 | 0 | 111.7 | ||||
| 127 | E | 41.1 | Very low | 36.8 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 74.9 | 131 | 177.1 | -58.4 | -165.1 | -173.9 | 0 | 0 | 116.8 | ||||
| 128 | G | 36.8 | Very low | 36 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -116.9 | 174 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 129 | G | 32.5 | Very low | 36.3 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | 173.3 | 142.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 130 | S | 45.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 138 Ų | 138 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -52.4 | 132.5 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 131 | G | 30.7 | Very low | 37 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 95.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | Y | 39.8 | Very low | 36.4 | Very low | 237 Ų | 237 | 138.2 Ų | 138.2 | 93% | 0.929 | 83% | 0.832 | S | S | * | * | trans | -68.8 | 137.9 | 163.4 | -117.3 | -95.9 | 0 | 0 | 0 | 109.7 | ||||
| 133 | S | 37.1 | Very low | 37 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -156.7 | 154.2 | 163.5 | -88.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 134 | P | 40.3 | Very low | 37.1 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 163.3 | -155.9 | 36.9 | -37.3 | 0 | 0 | 0 | 114.7 | S136 | P134-S136 PolarHBondContact O-N 3.45Š|
| 135 | P | 39.8 | Very low | 37.7 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.5 | 168.5 | 28.3 | -34.3 | 0 | 0 | 0 | 111 | ||
| 136 | S | 34.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 139.2 | 177.6 | 60 | 0 | 0 | 0 | 0 | 112.3 | P134 | P134-S136 PolarHBondContact O-N 3.45Š|
| 137 | K | 35.1 | Very low | 38.8 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 50.3 | 100.1 | 154.3 | -60 | 177.1 | 179.7 | 179.1 | 0 | 116.7 | ||||
| 138 | C | 30.9 | Very low | 39.1 | Very low | 137 Ų | 137 | 145 Ų | 145 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.5 | 152.8 | -62.1 | 0 | 0 | 0 | 0 | 110 | ||
| 139 | E | 35.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81 | 165.5 | 175.7 | -62.8 | -179.3 | 122 | 0 | 0 | 111.6 | ||
| 140 | Q | 41.2 | Very low | 39.7 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80 | 126.4 | 172.4 | -67.4 | 174.4 | -104.1 | 0 | 0 | 110.8 | ||
| 141 | T | 34 | Very low | 39.7 | Very low | 141 Ų | 141 | 158.5 Ų | 158.5 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -136 | 124.6 | 148.4 | 38.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 142 | D | 40.1 | Very low | 40.2 | Very low | 141 Ų | 141 | 160.9 Ų | 160.9 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | trans | -75.8 | 150.2 | 178.5 | -57.4 | -78.6 | 0 | 0 | 0 | 111.7 | ||||
| 143 | L | 43.3 | Very low | 39.7 | Very low | 149 Ų | 149 | 159.9 Ų | 159.9 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | 172.1 | 93.2 | 127.2 | -92.6 | 158.2 | 0 | 0 | 0 | 111.8 | |||||
| 144 | Y | 38.7 | Very low | 39.6 | Very low | 232 Ų | 232 | 160.4 Ų | 160.4 | 91% | 0.91 | 82% | 0.819 | S | S | * | * | trans | -133.2 | 117.8 | 159.5 | -88.5 | -84.2 | 0 | 0 | 0 | 109.5 | ||||
| 145 | H | 46 | Very low | 39.3 | Very low | 176 Ų | 176 | 163.5 Ų | 163.5 | 82% | 0.815 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77 | 125.6 | 170.9 | -90.6 | -78.8 | 0 | 0 | 0 | 110.3 | ||
| 146 | L | 44.3 | Very low | 39 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 134.1 | 171 | -120.7 | 74.1 | 0 | 0 | 0 | 110.7 | ||
| 147 | P | 47.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 164.6 Ų | 164.6 | 71% | 0.714 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 124.6 | -179.9 | -14.6 | 30.2 | 0 | 0 | 0 | 114.3 | N149 | P147-N149 VanDerWaalsContact C-N 3.33Å; P147-N149 PolarHBondContact O-N 3.44Å |
| 148 | E | 48 | Very low | 39.1 | Very low | 192 Ų | 192 | 165.3 Ų | 165.3 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 68.7 | -63 | 137.6 | -59.6 | 172 | 126.9 | 0 | 0 | 119 | ||
| 149 | N | 43.6 | Very low | 39.1 | Very low | 157 Ų | 157 | 167.7 Ų | 167.7 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -129.5 | 15 | -144 | -68.1 | -52.7 | 0 | 0 | 0 | 115.2 | P147 | P147-N149 VanDerWaalsContact C-N 3.33Å; P147-N149 PolarHBondContact O-N 3.44Å | ||
| 150 | F | 37.9 | Very low | 39.1 | Very low | 186 Ų | 186 | 165.8 Ų | 165.8 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -103.8 | 110.4 | 175.8 | -90.2 | -88.2 | 0 | 0 | 0 | 112.8 | ||||
| 151 | R | 46.4 | Very low | 38.5 | Very low | 234 Ų | 234 | 166.2 Ų | 166.2 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -115.4 | 121.6 | 156.1 | -75.4 | -172.5 | 177.8 | -116.7 | 0.3 | 109.1 | ||||
| 152 | P | 39.9 | Very low | 38.4 | Very low | 122 Ų | 122 | 165.4 Ų | 165.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -69.6 | 142.4 | 163.9 | 31 | -32.6 | 0 | 0 | 0 | 108.9 | ||||
| 153 | Y | 30.8 | Very low | 38 | Very low | 217 Ų | 217 | 164 Ų | 164 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -130 | 118.7 | 170.5 | -148.1 | -88.4 | 0 | 0 | 0 | 111 | ||||
| 154 | T | 35.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 164.9 Ų | 164.9 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -91.3 | 144.1 | 173.9 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 155 | N | 33.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 158.3 Ų | 158.3 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | trans | -70.5 | 130 | 175.9 | -99.2 | -37.8 | 0 | 0 | 0 | 111.1 | ||||
| 156 | G | 32.4 | Very low | 36.8 | Very low | 62 Ų | 62 | 156.8 Ų | 156.8 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -174.8 | 94.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 157 | Q | 31.6 | Very low | 36.4 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | 58.8 | 115.5 | 151.7 | -60.9 | -178.8 | -79.5 | 0 | 0 | 122.1 | ||||
| 158 | K | 40.5 | Very low | 35.8 | Very low | 207 Ų | 207 | 156.9 Ų | 156.9 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | trans | 4.3 | 130.7 | 140.2 | -52 | 175.2 | -179.6 | -177.7 | 0 | 119.4 | ||||
| 159 | Q | 31 | Very low | 35.1 | Very low | 187 Ų | 187 | 155.6 Ų | 155.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | -158.2 | 173.7 | 115.7 | -160.2 | 146.8 | 10.3 | 0 | 0 | 111.3 | |||||
| 160 | E | 34.6 | Very low | 34.7 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -99 | 149.5 | -170.7 | -55 | 151.9 | 138.6 | 0 | 0 | 112.1 | ||||
| 161 | F | 29 | Very low | 34.2 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | 168.9 | 121.2 | 116.1 | -105.1 | -88 | 0 | 0 | 0 | 114.6 | |||||
| 162 | N | 32.1 | Very low | 33.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | -14.7 | 127.7 | 152.7 | -176.3 | 24.1 | 0 | 0 | 0 | 119.3 | ||||
| 163 | N | 32.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | 178 | 143.5 | 112.7 | -98.8 | -78.2 | 0 | 0 | 0 | 115.5 | |||||
| 164 | Q | 36 | Very low | 34.2 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 35.7 | 114.2 | 149.6 | -62.9 | 169.2 | 58.7 | 0 | 0 | 119.5 | ||||
| 165 | A | 34.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 149 Ų | 149 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | 87.1 | 107.1 | 51 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 166 | T | 31.7 | Very low | 33.9 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -136 | 124.5 | 162.8 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 167 | N | 36.2 | Very low | 33.9 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 166.7 | 174.8 | -68.7 | -67.6 | 0 | 0 | 0 | 110.8 | ||||
| 168 | V | 33.6 | Very low | 34.2 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | -171.6 | 157.4 | -7.9 | 127.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 169 | I | 33.1 | Very low | 33.6 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -157.5 | 149.1 | 136.6 | -104.1 | 151.1 | 0 | 0 | 0 | 109.9 | ||||
| 170 | K | 35.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 153 Ų | 153 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 159.5 | -168.3 | -50.9 | 167.7 | -178 | 174.7 | 0 | 112.1 | ||||
| 171 | F | 28.1 | Very low | 33.6 | Very low | 212 Ų | 212 | 149.1 Ų | 149.1 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | -142.4 | 165 | 122.5 | -93.3 | -69.7 | 0 | 0 | 0 | 110.2 | |||||
| 172 | S | 36.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -104.5 | 152.5 | -170.6 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 173 | D | 35.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -59.6 | 147.2 | 160.9 | -171.4 | 34.2 | 0 | 0 | 0 | 110.6 | ||||
| 174 | P | 45.6 | Very low | 34.3 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | -149.3 | 163.6 | 95.9 | 41.2 | -25.1 | 0 | 0 | 0 | 117.4 | |||||
| 175 | Q | 31.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 71.1 | 97.4 | 155.8 | -73.3 | -173.3 | -65.5 | 0 | 0 | 119 | ||||
| 176 | W | 29.7 | Very low | 34.8 | Very low | 253 Ų | 253 | 144.8 Ų | 144.8 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -84.2 | 130.3 | 159.9 | -152.4 | -57.1 | 0 | 0 | 0 | 111.1 | ||||
| 177 | N | 33 | Very low | 35.1 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -141.1 | 131.6 | 170.6 | -101.2 | -43.4 | 0 | 0 | 0 | 112.1 | ||||
| 178 | H | 36.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 23.3 | 111 | 156.1 | -95.8 | 69.5 | 0 | 0 | 0 | 121.3 | ||||
| 179 | F | 28.9 | Very low | 35.5 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -168.3 | 116.5 | 131.4 | -88.2 | -69.8 | 0 | 0 | 0 | 105.1 | ||||
| 180 | Q | 37.2 | Very low | 36 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | 97.4 | 99.8 | 30.3 | -167.3 | 176.3 | 5.8 | 0 | 0 | 114.1 | ||||
| 181 | G | 29.2 | Very low | 36.4 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 137.3 | 153.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 182 | P | 41.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | cis | -102.5 | -178.8 | -5.7 | 39.7 | -32.2 | 0 | 0 | 0 | 113.4 | ||||
| 183 | S | 37.9 | Very low | 37 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 52% | 0.524 | 77% | 0.77 | S | S | . | * | trans | -81.2 | 133.1 | -176.6 | -178 | 0 | 0 | 0 | 0 | 113.7 | Q185 | S183-Q185 WeakPolarHBondContact OG-CG 3.35Å; S183-Q185 PolarHBondContact OG-N 2.9Å; S183-Q185 VanDerWaalsContact OG-N 3.17Å; S183-Q185 PolarHBondContact OG-OE1 2.82Å | ||
| 184 | C | 29.1 | Very low | 37.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 95% | 0.946 | 76% | 0.761 | S | S | * | * | trans | -113.2 | 76.8 | 151 | -78.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 185 | Q | 39.3 | Very low | 36.8 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -69.5 | 144.8 | 173.8 | -91.4 | 149.4 | -46.4 | 0 | 0 | 111.3 | S183 | S183-Q185 WeakPolarHBondContact OG-CG 3.35Å; S183-Q185 PolarHBondContact OG-N 2.9Å; S183-Q185 VanDerWaalsContact OG-N 3.17Å; S183-Q185 PolarHBondContact OG-OE1 2.82Å | ||
| 186 | G | 42.3 | Very low | 37.1 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 92.1 | 76.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 187 | L | 36.6 | Very low | 37.6 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | -166.6 | 113.2 | 117.1 | -100.6 | 162.9 | 0 | 0 | 0 | 110 | |||||
| 188 | E | 37.5 | Very low | 37.6 | Very low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | -57.8 | 125.8 | 169.3 | -85.7 | -78.2 | 149.5 | 0 | 0 | 110.3 | Y190 | E188-Y190 HydrophobicContact CB-CD2 3.46Å; E188-Y190 VanDerWaalsContact CB-CD2 3.46Å; E188-Y190 HydrophobicContact CB-CE2 3.56Å; E188-Y190 HydrophobicContact CG-CD2 4.36Å; E188-Y190 HydrophobicContact CG-CE2 3.98Å; E188-Y190 PolarHBondContact O-N 2.75Å | ||
| 189 | P | 40.8 | Very low | 37.6 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -75.3 | 70.7 | 167.2 | 31.7 | -32 | 0 | 0 | 0 | 109.8 | ||||
| 190 | Y | 44.5 | Very low | 37.9 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | -52 | 145 | 170.5 | -92.1 | -92.4 | 0 | 0 | 0 | 110.6 | E188 | E188-Y190 HydrophobicContact CB-CD2 3.46Å; E188-Y190 VanDerWaalsContact CB-CD2 3.46Å; E188-Y190 HydrophobicContact CB-CE2 3.56Å; E188-Y190 HydrophobicContact CG-CD2 4.36Å; E188-Y190 HydrophobicContact CG-CE2 3.98Å; E188-Y190 PolarHBondContact O-N 2.75Å | ||
| 191 | N | 42.7 | Very low | 37.9 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 66 | 57 | 176 | -60.9 | -43.1 | 0 | 0 | 0 | 116.2 | V193 | N191-V193 HydrophobicContact CB-CG2 4.06Å; N191-V193 PolarHBondContact O-N 2.92Å | ||
| 192 | K | 36.8 | Very low | 38.7 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -66.1 | 77 | 145.1 | -172.9 | -179.1 | 177.7 | 175.6 | 0 | 109.8 | T194 | K192-T194 PolarHBondContact O-N 2.81Å; K192-T194 PolarHBondContact O-OG1 3.4Å | ||
| 193 | V | 42 | Very low | 38.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | trans | -63.7 | 96.1 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | N191 Y195 | N191-V193 HydrophobicContact CB-CG2 4.06Å; N191-V193 PolarHBondContact O-N 2.92Å; V193-Y195 VanDerWaalsContact C-N 3.34Å; V193-Y195 PolarHBondContact O-N 3.47Å | ||
| 194 | T | 37.3 | Very low | 38.2 | Very low | 100 Ų | 100 | 141 Ų | 141 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | trans | -81.6 | 86.9 | 176.8 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | K192 K196 | K192-T194 PolarHBondContact O-N 2.81Å; K192-T194 PolarHBondContact O-OG1 3.4Å; T194-K196 PolarHBondContact O-N 3.46Å | ||
| 195 | Y | 38.7 | Very low | 38.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 58% | 0.576 | 75% | 0.747 | S | S | * | * | trans | -62.2 | 101.7 | 175.9 | -163.1 | -102.9 | 0 | 0 | 0 | 109.2 | V193 P197 | V193-Y195 VanDerWaalsContact C-N 3.34Å; V193-Y195 PolarHBondContact O-N 3.47Å; Y195-P197 VanDerWaalsContact O-CD 3.3Å; Y195-P197 WeakPolarHBondContact O-CD 3.38Å | ||
| 196 | K | 38.7 | Very low | 37.9 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -78.3 | 113.7 | 169.4 | -72.6 | -166.8 | 175.3 | -172.4 | 0 | 107.1 | T194 | T194-K196 PolarHBondContact O-N 3.46Š| ||
| 197 | P | 39.4 | Very low | 37.9 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 150.8 | 168 | 28.6 | -34.7 | 0 | 0 | 0 | 108.6 | Y195 Q199 | Y195-P197 VanDerWaalsContact O-CD 3.3Å; Y195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-Q199 PolarHBondContact O-N 3.41Å | ||
| 198 | Y | 33 | Very low | 37.8 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | trans | -51 | 109.5 | 178.4 | -92.4 | -100.6 | 0 | 0 | 0 | 110.7 | S200 | Y198-S200 VanDerWaalsContact C-N 3.33Å; Y198-S200 PolarHBondContact O-N 2.84Å | ||
| 199 | Q | 37.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -71.6 | 96 | 162 | -71 | -173.8 | -65.9 | 0 | 0 | 106.7 | P197 S201 | P197-Q199 PolarHBondContact O-N 3.41Å; Q199-S201 PolarHBondContact O-N 2.86Å | ||
| 200 | S | 34.3 | Very low | 37.7 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -55.9 | 105.5 | 173.6 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | Y198 A202 | Y198-S200 VanDerWaalsContact C-N 3.33Å; Y198-S200 PolarHBondContact O-N 2.84Å; S200-A202 PolarHBondContact O-N 3.28Å; S200-A202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | S | 38.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -66 | 109.7 | -177.4 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | Q199 Q203 | Q199-S201 PolarHBondContact O-N 2.86Å; S201-Q203 VanDerWaalsContact C-N 3.33Å; S201-Q203 PolarHBondContact O-N 3.44Å | ||
| 202 | A | 44.5 | Very low | 37.1 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -74.4 | 83 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S200 | S200-A202 PolarHBondContact O-N 3.28Å; S200-A202 VanDerWaalsContact O-N 3.12Å | ||
| 203 | Q | 37.1 | Very low | 37.4 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -164.9 | 138.4 | 162.9 | -119.9 | 176.1 | -13.5 | 0 | 0 | 112.4 | S201 | S201-Q203 VanDerWaalsContact C-N 3.33Å; S201-Q203 PolarHBondContact O-N 3.44Å | ||
| 204 | N | 31.3 | Very low | 37.4 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | trans | 60.2 | 137.1 | 155.3 | -64.2 | 0.8 | 0 | 0 | 0 | 118.2 | ||||
| 205 | N | 29 | Very low | 37.8 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | cis | -134.8 | 148.8 | -9.4 | -82.2 | -39.1 | 0 | 0 | 0 | 105.7 | ||||
| 206 | G | 33.4 | Very low | 38.4 | Very low | 67 Ų | 67 | 122.4 Ų | 122.4 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | 106.1 | 127.5 | 64.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 207 | S | 42.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -56.6 | 148.7 | -178.2 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 208 | P | 35.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | -105.3 | 148.9 | 74.8 | 33.5 | -35.9 | 0 | 0 | 0 | 112.2 | Q210 | P208-Q210 VanDerWaalsContact C-N 3.35Š| |||
| 209 | A | 37.4 | Very low | 41.1 | Very low | 67 Ų | 67 | 112.9 Ų | 112.9 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | cis | 56 | 45.9 | 41.7 | 0 | 0 | 0 | 0 | 0 | 112 | E211 | A209-E211 WeakPolarHBondContact O-CB 3.49Š| ||
| 210 | Q | 37.3 | Very low | 42.3 | Very low | 175 Ų | 175 | 106.3 Ų | 106.3 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -78.9 | 104 | 130.1 | -71.3 | 174.9 | -44.3 | 0 | 0 | 104.5 | P208 | P208-Q210 VanDerWaalsContact C-N 3.35Š| ||
| 211 | E | 35 | Very low | 43.6 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 73% | 0.729 | 61% | 0.608 | S | S | * | * | cis | 42.4 | 52.1 | 25.7 | -150.3 | 171.8 | -96.7 | 0 | 0 | 110.7 | A209 T213 | A209-E211 WeakPolarHBondContact O-CB 3.49Å; E211-T213 VanDerWaalsContact C-N 3.29Å; E211-T213 PolarHBondContact O-N 2.78Å; E211-T213 PolarHBondContact O-OG1 2.98Å | ||
| 212 | I | 39.9 | Very low | 44.6 | Very low | 135 Ų | 135 | 101.9 Ų | 101.9 | 69% | 0.692 | 59% | 0.592 | S | S | * | * | trans | -55.8 | 105.9 | 157.3 | -65.2 | 177.6 | 0 | 0 | 0 | 105.1 | G214 | I212-G214 PolarHBondContact O-N 3.32Š| ||
| 213 | T | 42.8 | Very low | 45.4 | Very low | 109 Ų | 109 | 103.1 Ų | 103.1 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.2 | 72.7 | -175.7 | -34.9 | 0 | 0 | 0 | 0 | 109.4 | E211 | E211-T213 VanDerWaalsContact C-N 3.29Å; E211-T213 PolarHBondContact O-N 2.78Å; E211-T213 PolarHBondContact O-OG1 2.98Å |
| 214 | G | 43.6 | Very low | 46.5 | Very low | 12 Ų | 12 | 100 Ų | 100 | 12% | 0.124 | 57% | 0.566 | C | S | . | * | trans | -131.9 | -18.9 | -160.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I212 T217 F218 | I212-G214 PolarHBondContact O-N 3.32Å; G214-T217 CarbonylContact O-C 3.56Å; G214-T217 PolarHBondContact O-N 2.9Å; G214-T217 VanDerWaalsContact O-N 3.17Å; G214-T217 PolarHBondContact O-OG1 3.25Å; G214-F218 PolarHBondContact O-N 3.39Å | ||
| 215 | S | 45.1 | Very low | 47.8 | Very low | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.1 | -53.1 | 173.2 | -160.5 | 0 | 0 | 0 | 0 | 110.1 | T217 F218 E219 | S215-T217 PolarHBondContact O-N 2.87Å; S215-F218 CarbonylContact O-C 3.56Å; S215-F218 WeakPolarHBondContact O-CA 3.24Å; S215-F218 WeakPolarHBondContact O-CB 3.44Å; S215-F218 PolarHBondContact O-N 3.47Å; S215-E219 PolarHBondContact O-N 2.79Å |
| 216 | D | 50.1 | Low | 49.2 | Very low | 121 Ų | 121 | 98.6 Ų | 98.6 | 65% | 0.647 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -52.6 | -30.8 | 174.8 | -54.9 | 23 | 0 | 0 | 0 | 112.6 | G220 | D216-G220 WeakPolarHBondContact O-CA 3.44Å; D216-G220 PolarHBondContact O-N 2.81Å |
| 217 | T | 55.1 | Low | 50.4 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 25% | 0.252 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -89.6 | -23 | 178.4 | 82.3 | 0 | 0 | 0 | 0 | 113.7 | G214 S215 L221 K246 | G214-T217 CarbonylContact O-C 3.56Å; G214-T217 PolarHBondContact O-N 2.9Å; G214-T217 VanDerWaalsContact O-N 3.17Å; G214-T217 PolarHBondContact O-OG1 3.25Å; S215-T217 PolarHBondContact O-N 2.87Å; T217-L221 WeakPolarHBondContact O-CD1 3.32Å; T217-L221 PolarHBondContact O-N 3.48Å; T217-K246 PolarHBondContact OG1-NZ 3.44Å |
| 218 | F | 55.6 | Low | 51.1 | Low | 138 Ų | 138 | 95.4 Ų | 95.4 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.7 | -47.3 | 168.3 | -176.6 | -96.9 | 0 | 0 | 0 | 109.3 | G214 S215 L221 Q222 | G214-F218 PolarHBondContact O-N 3.39Å; S215-F218 CarbonylContact O-C 3.56Å; S215-F218 WeakPolarHBondContact O-CA 3.24Å; S215-F218 WeakPolarHBondContact O-CB 3.44Å; S215-F218 PolarHBondContact O-N 3.47Å; F218-L221 PolarHBondContact O-N 3.28Å; F218-Q222 VanDerWaalsContact CE1-OE1 3.28Å; F218-Q222 WeakPolarHBondContact O-CB 3.22Å; F218-Q222 PolarHBondContact O-N 3.47Å |
| 219 | E | 58.1 | Low | 51.6 | Low | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.1 | -170.5 | 158.2 | -169.4 | 0 | 0 | 111.9 | S215 Q222 Q223 | S215-E219 PolarHBondContact O-N 2.79Å; E219-Q222 PolarHBondContact O-N 2.8Å; E219-Q223 WeakPolarHBondContact O-CB 3.38Å; E219-Q223 WeakPolarHBondContact O-CG 3.28Å; E219-Q223 PolarHBondContact O-N 3.36Å |
| 220 | G | 61.7 | Low | 52 | Low | 34 Ų | 34 | 99.7 Ų | 99.7 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D216 Q222 Q224 | D216-G220 WeakPolarHBondContact O-CA 3.44Å; D216-G220 PolarHBondContact O-N 2.81Å; G220-Q222 VanDerWaalsContact C-N 3.33Å; G220-Q224 WeakPolarHBondContact O-CB 3.25Å; G220-Q224 PolarHBondContact O-N 3.37Å |
| 221 | L | 62.4 | Low | 52.7 | Low | 36 Ų | 36 | 98.5 Ų | 98.5 | 19% | 0.188 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.9 | -30.8 | 173.9 | -88.8 | 90 | 0 | 0 | 0 | 112.3 | T217 F218 Q224 F225 Q242 V243 | T217-L221 WeakPolarHBondContact O-CD1 3.32Å; T217-L221 PolarHBondContact O-N 3.48Å; F218-L221 PolarHBondContact O-N 3.28Å; L221-Q224 PolarHBondContact O-N 2.88Å; L221-F225 WeakPolarHBondContact O-CB 3.21Å; L221-F225 PolarHBondContact O-N 2.89Å; L221-Q242 HydrophobicContact CD2-CB 4.38Å; L221-V243 HydrophobicContact CD2-CG2 3.52Å |
| 222 | Q | 60.2 | Low | 53.8 | Low | 94 Ų | 94 | 93.7 Ų | 93.7 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 178.4 | -171.4 | 173.6 | 7.3 | 0 | 0 | 112 | F218 E219 G220 Q224 F225 L226 | F218-Q222 VanDerWaalsContact CE1-OE1 3.28Å; F218-Q222 WeakPolarHBondContact O-CB 3.22Å; F218-Q222 PolarHBondContact O-N 3.47Å; E219-Q222 PolarHBondContact O-N 2.8Å; G220-Q222 VanDerWaalsContact C-N 3.33Å; Q222-Q224 VanDerWaalsContact C-N 3.35Å; Q222-F225 PolarHBondContact O-N 3.46Å; Q222-L226 HydrophobicContact CG-CD1 4.25Å; Q222-L226 WeakPolarHBondContact O-CG 3.46Å; Q222-L226 PolarHBondContact O-N 3.45Å; Q222-L226 VanDerWaalsContact O-N 3.07Å |
| 223 | Q | 61.4 | Low | 55 | Low | 130 Ų | 130 | 90.8 Ų | 90.8 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 169.3 | -71.9 | -178.5 | 11.3 | 0 | 0 | 111 | E219 F225 L226 G227 | E219-Q223 WeakPolarHBondContact O-CB 3.38Å; E219-Q223 WeakPolarHBondContact O-CG 3.28Å; E219-Q223 PolarHBondContact O-N 3.36Å; Q223-F225 VanDerWaalsContact C-N 3.29Å; Q223-F225 PolarHBondContact O-N 2.91Å; Q223-L226 PolarHBondContact O-N 3.34Å; Q223-G227 PolarHBondContact O-N 2.93Å |
| 224 | Q | 59.4 | Low | 56.4 | Low | 94 Ų | 94 | 92 Ų | 92 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -30.6 | 174.5 | -158.6 | 177 | 10.1 | 0 | 0 | 112.8 | G220 L221 Q222 I239 | G220-Q224 WeakPolarHBondContact O-CB 3.25Å; G220-Q224 PolarHBondContact O-N 3.37Å; L221-Q224 PolarHBondContact O-N 2.88Å; Q222-Q224 VanDerWaalsContact C-N 3.35Å; Q224-I239 HydrophobicContact CG-CD1 3.93Å; Q224-I239 HydrophobicContact CG-CG1 4.45Å |
| 225 | F | 57.6 | Low | 57.9 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76 | -28.9 | 176.5 | -151.3 | -86.6 | 0 | 0 | 0 | 113.2 | L221 Q222 Q223 I239 Q240 | L221-F225 WeakPolarHBondContact O-CB 3.21Å; L221-F225 PolarHBondContact O-N 2.89Å; Q222-F225 PolarHBondContact O-N 3.46Å; Q223-F225 VanDerWaalsContact C-N 3.29Å; Q223-F225 PolarHBondContact O-N 2.91Å; F225-I239 HydrophobicContact CD2-CG2 3.87Å; F225-Q240 HydrophobicContact CE2-CG 4.23Å |
| 226 | L | 60.2 | Low | 59.1 | Low | 138 Ų | 138 | 96 Ų | 96 | 72% | 0.723 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -98.6 | -26.5 | -178 | -71 | 168.5 | 0 | 0 | 0 | 113.9 | Q222 Q223 | Q222-L226 HydrophobicContact CG-CD1 4.25Å; Q222-L226 WeakPolarHBondContact O-CG 3.46Å; Q222-L226 PolarHBondContact O-N 3.45Å; Q222-L226 VanDerWaalsContact O-N 3.07Å; Q223-L226 PolarHBondContact O-N 3.34Å |
| 227 | G | 57.3 | Low | 60.4 | Low | 64 Ų | 64 | 95.8 Ų | 95.8 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -82.9 | -10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q223 N229 | Q223-G227 PolarHBondContact O-N 2.93Å; G227-N229 PolarHBondContact O-N 3.43Å |
| 228 | A | 56.6 | Low | 61.5 | Low | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | trans | -80.8 | 60.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 229 | N | 47.9 | Very low | 62.7 | Low | 127 Ų | 127 | 91.5 Ų | 91.5 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | trans | -67.4 | 141 | 168.6 | -175.6 | 46.7 | 0 | 0 | 0 | 110.7 | G227 | G227-N229 PolarHBondContact O-N 3.43Š| ||
| 230 | E | 45.8 | Very low | 63.8 | Low | 144 Ų | 144 | 91.5 Ų | 91.5 | 67% | 0.673 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 66.6 | 106.9 | 173.3 | -75 | 163.2 | -129.9 | 0 | 0 | 118.7 | ||
| 231 | N | 50.5 | Low | 64.9 | Low | 150 Ų | 150 | 94.1 Ų | 94.1 | 80% | 0.802 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 80.3 | 52.7 | 136.4 | -53.2 | -32.7 | 0 | 0 | 0 | 121.6 | ||
| 232 | S | 59.3 | Low | 66 | Low | 55 Ų | 55 | 96.8 Ų | 96.8 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | trans | -160.7 | 138.4 | 131.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | E234 | S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 PolarHBondContact O-N 2.82Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.12Å; S232-E234 PolarHBondContact OG-OE2 3.27Å | ||
| 233 | A | 65.2 | Low | 67.2 | Low | 73 Ų | 73 | 95.7 Ų | 95.7 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -30.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N235 M236 Q237 | A233-N235 VanDerWaalsContact C-N 3.34Å; A233-N235 PolarHBondContact O-N 2.86Å; A233-M236 PolarHBondContact O-N 3.4Å; A233-Q237 PolarHBondContact O-N 2.9Å; A233-Q237 VanDerWaalsContact O-N 3.1Å |
| 234 | E | 72 | Confident | 68.4 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | -178.5 | -61 | 170.7 | 125.5 | 0 | 0 | 111.8 | S232 Q237 I238 | S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 PolarHBondContact O-N 2.82Å; S232-E234 PolarHBondContact OG-N 3.49Å; S232-E234 VanDerWaalsContact OG-N 3.12Å; S232-E234 PolarHBondContact OG-OE2 3.27Å; E234-Q237 CarbonylContact O-C 3.59Å; E234-Q237 WeakPolarHBondContact O-CB 3.18Å; E234-Q237 PolarHBondContact O-N 2.81Å; E234-Q237 VanDerWaalsContact O-N 3.17Å; E234-I238 VanDerWaalsContact O-CG1 3.27Å; E234-I238 WeakPolarHBondContact O-CG1 3.39Å; E234-I238 PolarHBondContact O-N 2.87Å |
| 235 | N | 74.2 | Confident | 69.8 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | -179.3 | -167.8 | 31.5 | 0 | 0 | 0 | 111.7 | A233 Q237 I238 I239 | A233-N235 VanDerWaalsContact C-N 3.34Å; A233-N235 PolarHBondContact O-N 2.86Å; N235-Q237 VanDerWaalsContact C-N 3.29Å; N235-Q237 PolarHBondContact O-N 3.2Å; N235-I238 PolarHBondContact O-N 2.96Å; N235-I239 WeakPolarHBondContact O-CG1 3.29Å; N235-I239 PolarHBondContact O-N 2.67Å |
| 236 | M | 70.9 | Confident | 71.3 | Confident | 102 Ų | 102 | 90.6 Ų | 90.6 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 170.1 | -73.9 | -172.1 | -73.9 | 0 | 0 | 111.5 | A233 I239 Q240 | A233-M236 PolarHBondContact O-N 3.4Å; M236-I239 PolarHBondContact O-N 3.1Å; M236-Q240 WeakPolarHBondContact O-CB 3.46Å; M236-Q240 WeakPolarHBondContact O-CG 3.49Å; M236-Q240 PolarHBondContact O-N 3.15Å |
| 237 | Q | 76.4 | Confident | 72.6 | Confident | 116 Ų | 116 | 86 Ų | 86 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.9 | -164.9 | 173.3 | 12.5 | 0 | 0 | 112.4 | A233 E234 N235 Q240 L241 | A233-Q237 PolarHBondContact O-N 2.9Å; A233-Q237 VanDerWaalsContact O-N 3.1Å; E234-Q237 CarbonylContact O-C 3.59Å; E234-Q237 WeakPolarHBondContact O-CB 3.18Å; E234-Q237 PolarHBondContact O-N 2.81Å; E234-Q237 VanDerWaalsContact O-N 3.17Å; N235-Q237 VanDerWaalsContact C-N 3.29Å; N235-Q237 PolarHBondContact O-N 3.2Å; Q237-Q240 PolarHBondContact O-N 3.01Å; Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CG 3.29Å; Q237-L241 WeakPolarHBondContact O-CG 3.4Å; Q237-L241 PolarHBondContact O-N 2.74Å |
| 238 | I | 79.9 | Confident | 74.2 | Confident | 88 Ų | 88 | 88 Ų | 88 | 45% | 0.451 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 173.9 | -71.7 | 162.6 | 0 | 0 | 0 | 110.7 | E234 N235 Q240 L241 Q242 | E234-I238 VanDerWaalsContact O-CG1 3.27Å; E234-I238 WeakPolarHBondContact O-CG1 3.39Å; E234-I238 PolarHBondContact O-N 2.87Å; N235-I238 PolarHBondContact O-N 2.96Å; I238-Q240 PolarHBondContact O-N 3.23Å; I238-L241 PolarHBondContact O-N 2.83Å; I238-Q242 WeakPolarHBondContact O-CG 3.35Å; I238-Q242 PolarHBondContact O-N 3.01Å |
| 239 | I | 80.3 | Confident | 75.8 | Confident | 2 Ų | 2 | 91 Ų | 91 | 1% | 0.01 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.2 | -61.7 | 163.7 | 0 | 0 | 0 | 110.5 | Q224 F225 N235 M236 L241 Q242 V243 | Q224-I239 HydrophobicContact CG-CD1 3.93Å; Q224-I239 HydrophobicContact CG-CG1 4.45Å; F225-I239 HydrophobicContact CD2-CG2 3.87Å; N235-I239 WeakPolarHBondContact O-CG1 3.29Å; N235-I239 PolarHBondContact O-N 2.67Å; M236-I239 PolarHBondContact O-N 3.1Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3.35Å; I239-Q242 WeakPolarHBondContact O-CB 3.31Å; I239-Q242 PolarHBondContact O-N 3.43Å; I239-V243 WeakPolarHBondContact O-CG2 3.22Å; I239-V243 PolarHBondContact O-N 3.36Å |
| 240 | Q | 79.8 | Confident | 77.8 | Confident | 105 Ų | 105 | 90.2 Ų | 90.2 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 173.6 | -72.9 | 169.4 | 17.8 | 0 | 0 | 112.4 | F225 M236 Q237 I238 V243 L244 | F225-Q240 HydrophobicContact CE2-CG 4.23Å; M236-Q240 WeakPolarHBondContact O-CB 3.46Å; M236-Q240 WeakPolarHBondContact O-CG 3.49Å; M236-Q240 PolarHBondContact O-N 3.15Å; Q237-Q240 PolarHBondContact O-N 3.01Å; I238-Q240 PolarHBondContact O-N 3.23Å; Q240-V243 PolarHBondContact O-N 3.34Å; Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 PolarHBondContact O-N 2.83Å |
| 241 | L | 85.4 | Confident | 80 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 174 | -74.7 | 168.2 | 0 | 0 | 0 | 112.4 | Q237 I238 I239 L244 N245 | Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CG 3.29Å; Q237-L241 WeakPolarHBondContact O-CG 3.4Å; Q237-L241 PolarHBondContact O-N 2.74Å; I238-L241 PolarHBondContact O-N 2.83Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3.35Å; L241-L244 PolarHBondContact O-N 3.37Å; L241-N245 WeakPolarHBondContact O-CB 3.29Å; L241-N245 VanDerWaalsContact O-CG 3.26Å; L241-N245 PolarHBondContact O-N 2.85Å |
| 242 | Q | 84.8 | Confident | 82.1 | Confident | 91 Ų | 91 | 87.4 Ų | 87.4 | 43% | 0.425 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 173.6 | -73.3 | 174.6 | -11.6 | 0 | 0 | 112 | L221 I238 I239 L244 N245 K246 | L221-Q242 HydrophobicContact CD2-CB 4.38Å; I238-Q242 WeakPolarHBondContact O-CG 3.35Å; I238-Q242 PolarHBondContact O-N 3.01Å; I239-Q242 WeakPolarHBondContact O-CB 3.31Å; I239-Q242 PolarHBondContact O-N 3.43Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; Q242-N245 PolarHBondContact O-N 3.47Å; Q242-K246 VanDerWaalsContact O-CB 3.3Å; Q242-K246 WeakPolarHBondContact O-CB 3.36Å; Q242-K246 PolarHBondContact O-N 2.97Å |
| 243 | V | 85.4 | Confident | 83.7 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | L221 I239 Q240 K246 A247 | L221-V243 HydrophobicContact CD2-CG2 3.52Å; I239-V243 WeakPolarHBondContact O-CG2 3.22Å; I239-V243 PolarHBondContact O-N 3.36Å; Q240-V243 PolarHBondContact O-N 3.34Å; V243-K246 PolarHBondContact O-N 2.68Å; V243-A247 WeakPolarHBondContact O-CB 3.31Å; V243-A247 PolarHBondContact O-N 2.85Å |
| 244 | L | 88.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 45% | 0.445 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | -179.1 | -179.8 | 61.4 | 0 | 0 | 0 | 112.6 | Q240 L241 Q242 A247 K248 | Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 PolarHBondContact O-N 2.83Å; L241-L244 PolarHBondContact O-N 3.37Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 2.83Å; L244-A247 PolarHBondContact O-N 3.29Å; L244-K248 WeakPolarHBondContact O-CG 3.23Å; L244-K248 PolarHBondContact O-N 2.84Å |
| 245 | N | 87.9 | Confident | 86.2 | Confident | 75 Ų | 75 | 89 Ų | 89 | 40% | 0.401 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 176.1 | -73.1 | -11.8 | 0 | 0 | 0 | 110.9 | L241 Q242 A247 K248 E249 | L241-N245 WeakPolarHBondContact O-CB 3.29Å; L241-N245 VanDerWaalsContact O-CG 3.26Å; L241-N245 PolarHBondContact O-N 2.85Å; Q242-N245 PolarHBondContact O-N 3.47Å; N245-A247 PolarHBondContact O-N 3.49Å; N245-K248 CarbonylContact O-C 3.59Å; N245-K248 WeakPolarHBondContact O-CA 3.23Å; N245-K248 WeakPolarHBondContact O-CB 3.39Å; N245-K248 PolarHBondContact O-N 2.86Å; N245-E249 WeakPolarHBondContact O-CG 3.31Å; N245-E249 PolarHBondContact O-N 3.25Å |
| 246 | K | 89.6 | Confident | 87.2 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.8 | -20.2 | 175.6 | -154.8 | 174.3 | -167 | -179.7 | 0 | 113.8 | T217 Q242 V243 R250 | T217-K246 PolarHBondContact OG1-NZ 3.44Å; Q242-K246 VanDerWaalsContact O-CB 3.3Å; Q242-K246 WeakPolarHBondContact O-CB 3.36Å; Q242-K246 PolarHBondContact O-N 2.97Å; V243-K246 PolarHBondContact O-N 2.68Å; K246-R250 WeakPolarHBondContact O-CG 3.45Å; K246-R250 PolarHBondContact O-N 3.42Å; K246-R250 PolarHBondContact O-NH1 2.87Å; K246-R250 VanDerWaalsContact O-NH1 3.16Å |
| 247 | A | 87.1 | Confident | 88.3 | Confident | 42 Ų | 42 | 89 Ų | 89 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75 | -43.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V243 L244 N245 R250 Q251 | V243-A247 WeakPolarHBondContact O-CB 3.31Å; V243-A247 PolarHBondContact O-N 2.85Å; L244-A247 PolarHBondContact O-N 3.29Å; N245-A247 PolarHBondContact O-N 3.49Å; A247-R250 PolarHBondContact O-N 3.38Å; A247-Q251 WeakPolarHBondContact O-CG 3.48Å; A247-Q251 PolarHBondContact O-N 2.82Å |
| 248 | K | 90.9 | Very high | 89.3 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 174.1 | -69.7 | 168.9 | -177.8 | 171.6 | 0 | 112.7 | L244 N245 Q251 L252 | L244-K248 WeakPolarHBondContact O-CG 3.23Å; L244-K248 PolarHBondContact O-N 2.84Å; N245-K248 CarbonylContact O-C 3.59Å; N245-K248 WeakPolarHBondContact O-CA 3.23Å; N245-K248 WeakPolarHBondContact O-CB 3.39Å; N245-K248 PolarHBondContact O-N 2.86Å; K248-Q251 WeakPolarHBondContact O-CB 3.18Å; K248-Q251 PolarHBondContact O-N 2.91Å; K248-L252 WeakPolarHBondContact O-CB 3.31Å; K248-L252 PolarHBondContact O-N 3.46Å |
| 249 | E | 89.6 | Confident | 90 | Very high | 111 Ų | 111 | 89.5 Ų | 89.5 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.2 | -74.5 | 159.1 | -159.6 | 0 | 0 | 111 | N245 Q251 L252 E253 | N245-E249 WeakPolarHBondContact O-CG 3.31Å; N245-E249 PolarHBondContact O-N 3.25Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 3.33Å; E249-L252 PolarHBondContact O-N 3.02Å; E249-E253 WeakPolarHBondContact O-CB 3.46Å; E249-E253 PolarHBondContact O-N 3.45Å |
| 250 | R | 90.5 | Very high | 90.8 | Very high | 112 Ų | 112 | 93.4 Ų | 93.4 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -33.6 | 174.6 | -69.8 | -177.4 | -173.1 | 103.3 | -15.2 | 113 | K246 A247 N254 | K246-R250 WeakPolarHBondContact O-CG 3.45Å; K246-R250 PolarHBondContact O-N 3.42Å; K246-R250 PolarHBondContact O-NH1 2.87Å; K246-R250 VanDerWaalsContact O-NH1 3.16Å; A247-R250 PolarHBondContact O-N 3.38Å; R250-N254 WeakPolarHBondContact O-CB 3.22Å; R250-N254 PolarHBondContact O-N 3.43Å; R250-N254 VanDerWaalsContact O-N 3.07Å |
| 251 | Q | 92.1 | Very high | 91.6 | Very high | 130 Ų | 130 | 93.1 Ų | 93.1 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 172.5 | -73.8 | 176.4 | -18.5 | 0 | 0 | 111.8 | A247 K248 E249 L255 | A247-Q251 WeakPolarHBondContact O-CG 3.48Å; A247-Q251 PolarHBondContact O-N 2.82Å; K248-Q251 WeakPolarHBondContact O-CB 3.18Å; K248-Q251 PolarHBondContact O-N 2.91Å; E249-Q251 VanDerWaalsContact C-N 3.31Å; E249-Q251 PolarHBondContact O-N 3.33Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.21Å; Q251-L255 PolarHBondContact O-N 3.46Å; Q251-L255 VanDerWaalsContact O-N 3.09Å |
| 252 | L | 94.1 | Very high | 92 | Very high | 105 Ų | 105 | 91 Ų | 91 | 55% | 0.55 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 176.4 | -176.6 | 64 | 0 | 0 | 0 | 111.2 | K248 E249 N254 L255 I256 | K248-L252 WeakPolarHBondContact O-CB 3.31Å; K248-L252 PolarHBondContact O-N 3.46Å; E249-L252 PolarHBondContact O-N 3.02Å; L252-N254 VanDerWaalsContact C-N 3.33Å; L252-N254 PolarHBondContact O-N 3.5Å; L252-L255 CarbonylContact O-C 3.59Å; L252-L255 WeakPolarHBondContact O-CA 3.47Å; L252-L255 WeakPolarHBondContact O-CB 3.39Å; L252-L255 PolarHBondContact O-N 3.3Å; L252-I256 HydrophobicContact CD1-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 3.11Å |
| 253 | E | 93.8 | Very high | 92.6 | Very high | 121 Ų | 121 | 90.9 Ų | 90.9 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.6 | -42.2 | 176.9 | -163.8 | 61.4 | -136.5 | 0 | 0 | 111.2 | E249 L255 I256 E257 | E249-E253 WeakPolarHBondContact O-CB 3.46Å; E249-E253 PolarHBondContact O-N 3.45Å; E253-L255 VanDerWaalsContact C-N 3.27Å; E253-L255 PolarHBondContact O-N 2.86Å; E253-I256 PolarHBondContact O-N 2.78Å; E253-I256 VanDerWaalsContact O-N 3.14Å; E253-E257 WeakPolarHBondContact O-CB 3.16Å; E253-E257 PolarHBondContact O-N 3.33Å |
| 254 | N | 93.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 94.6 Ų | 94.6 | 34% | 0.337 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -24.1 | 175.8 | -172 | -112.7 | 0 | 0 | 0 | 113.6 | R250 L252 E257 K258 | R250-N254 WeakPolarHBondContact O-CB 3.22Å; R250-N254 PolarHBondContact O-N 3.43Å; R250-N254 VanDerWaalsContact O-N 3.07Å; L252-N254 VanDerWaalsContact C-N 3.33Å; L252-N254 PolarHBondContact O-N 3.5Å; N254-E257 PolarHBondContact ND2-OE2 3.23Å; N254-K258 WeakPolarHBondContact O-CB 3.27Å; N254-K258 VanDerWaalsContact O-CD 3.31Å; N254-K258 WeakPolarHBondContact O-CD 3.26Å; N254-K258 VanDerWaalsContact O-CG 3.25Å; N254-K258 WeakPolarHBondContact O-CG 3.32Å; N254-K258 PolarHBondContact O-N 3.49Å; N254-K258 WeakPolarHBondContact OD1-CE 3.4Å; N254-K258 PolarHBondContact OD1-NZ 3.13Å |
| 255 | L | 95.4 | Very high | 93.5 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -77.2 | -36.4 | 169.6 | -71.7 | 168.7 | 0 | 0 | 0 | 111.7 | Q251 L252 E253 K258 L259 | Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.21Å; Q251-L255 PolarHBondContact O-N 3.46Å; Q251-L255 VanDerWaalsContact O-N 3.09Å; L252-L255 CarbonylContact O-C 3.59Å; L252-L255 WeakPolarHBondContact O-CA 3.47Å; L252-L255 WeakPolarHBondContact O-CB 3.39Å; L252-L255 PolarHBondContact O-N 3.3Å; E253-L255 VanDerWaalsContact C-N 3.27Å; E253-L255 PolarHBondContact O-N 2.86Å; L255-K258 PolarHBondContact O-N 2.88Å; L255-L259 WeakPolarHBondContact O-CB 3.11Å; L255-L259 PolarHBondContact O-N 3.49Å |
| 256 | I | 95.1 | Very high | 94 | Very high | 62 Ų | 62 | 97.1 Ų | 97.1 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.9 | -70.1 | 165.6 | 0 | 0 | 0 | 110.7 | L252 E253 K258 L259 N260 | L252-I256 HydrophobicContact CD1-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 4.01Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 3.11Å; E253-I256 PolarHBondContact O-N 2.78Å; E253-I256 VanDerWaalsContact O-N 3.14Å; I256-K258 PolarHBondContact O-N 3.33Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 2.83Å; I256-N260 WeakPolarHBondContact CG2-ND2 3.34Å; I256-N260 WeakPolarHBondContact O-CB 3.41Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.49Å; I256-N260 PolarHBondContact O-ND2 2.89Å |
| 257 | E | 94.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -47.6 | 174.4 | -176.1 | -176 | -154.5 | 0 | 0 | 111.5 | E253 N254 L259 N260 E261 | E253-E257 WeakPolarHBondContact O-CB 3.16Å; E253-E257 PolarHBondContact O-N 3.33Å; N254-E257 PolarHBondContact ND2-OE2 3.23Å; E257-L259 PolarHBondContact O-N 2.81Å; E257-N260 PolarHBondContact O-N 3.31Å; E257-E261 PolarHBondContact O-N 3.15Å |
| 258 | K | 96 | Very high | 94.8 | Very high | 122 Ų | 122 | 106 Ų | 106 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.1 | -76.8 | 167.6 | 179.6 | 157.7 | 0 | 112.7 | N254 L255 I256 S262 | N254-K258 WeakPolarHBondContact O-CB 3.27Å; N254-K258 VanDerWaalsContact O-CD 3.31Å; N254-K258 WeakPolarHBondContact O-CD 3.26Å; N254-K258 VanDerWaalsContact O-CG 3.25Å; N254-K258 WeakPolarHBondContact O-CG 3.32Å; N254-K258 PolarHBondContact O-N 3.49Å; N254-K258 WeakPolarHBondContact OD1-CE 3.4Å; N254-K258 PolarHBondContact OD1-NZ 3.13Å; L255-K258 PolarHBondContact O-N 2.88Å; I256-K258 PolarHBondContact O-N 3.33Å; K258-S262 WeakPolarHBondContact O-CB 3.34Å; K258-S262 PolarHBondContact O-N 2.79Å |
| 259 | L | 95.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 104.9 Ų | 104.9 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 174.5 | -178.7 | 62.6 | 0 | 0 | 0 | 110.4 | L255 I256 E257 E261 S262 E263 | L255-L259 WeakPolarHBondContact O-CB 3.11Å; L255-L259 PolarHBondContact O-N 3.49Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 2.83Å; E257-L259 PolarHBondContact O-N 2.81Å; L259-E261 PolarHBondContact O-N 2.88Å; L259-S262 CarbonylContact O-C 3.45Å; L259-S262 WeakPolarHBondContact O-CA 3.38Å; L259-S262 WeakPolarHBondContact O-CB 3.29Å; L259-S262 PolarHBondContact O-N 3.25Å; L259-S262 VanDerWaalsContact O-N 3.09Å; L259-S262 PolarHBondContact O-OG 3.12Å; L259-E263 PolarHBondContact O-N 2.86Å |
| 260 | N | 95.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 103.8 Ų | 103.8 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 180 | -73 | -29.5 | 0 | 0 | 0 | 112.9 | I256 E257 E263 R264 | I256-N260 WeakPolarHBondContact CG2-ND2 3.34Å; I256-N260 WeakPolarHBondContact O-CB 3.41Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.49Å; I256-N260 PolarHBondContact O-ND2 2.89Å; E257-N260 PolarHBondContact O-N 3.31Å; N260-E263 PolarHBondContact O-N 3.17Å; N260-R264 WeakPolarHBondContact O-CB 3.34Å; N260-R264 PolarHBondContact O-N 3.49Å |
| 261 | E | 95.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.8 | -33.9 | 175.3 | -172.6 | 59 | -153.8 | 0 | 0 | 111.3 | E257 L259 R264 Q265 | E257-E261 PolarHBondContact O-N 3.15Å; L259-E261 PolarHBondContact O-N 2.88Å; E261-R264 WeakPolarHBondContact O-CB 3.29Å; E261-R264 PolarHBondContact O-N 3.41Å; E261-R264 IonicContact OE1-NH1 3.81Å; E261-R264 PolarHBondContact OE1-NH1 3.26Å; E261-R264 WeakPolarHBondContact OE2-CD 3.14Å; E261-R264 IonicContact OE2-CZ 3.35Å; E261-R264 IonicContact OE2-NE 3.71Å; E261-R264 IonicContact OE2-NH1 3.73Å; E261-R264 PolarHBondContact OE2-NH1 2.92Å; E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 PolarHBondContact O-N 2.72Å |
| 262 | S | 95.3 | Very high | 96.2 | Very high | 45 Ų | 45 | 101.3 Ų | 101.3 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 170.9 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | K258 L259 R264 Q265 I266 | K258-S262 WeakPolarHBondContact O-CB 3.34Å; K258-S262 PolarHBondContact O-N 2.79Å; L259-S262 CarbonylContact O-C 3.45Å; L259-S262 WeakPolarHBondContact O-CA 3.38Å; L259-S262 WeakPolarHBondContact O-CB 3.29Å; L259-S262 PolarHBondContact O-N 3.25Å; L259-S262 VanDerWaalsContact O-N 3.09Å; L259-S262 PolarHBondContact O-OG 3.12Å; S262-R264 VanDerWaalsContact C-N 3.34Å; S262-R264 PolarHBondContact O-N 2.84Å; S262-Q265 PolarHBondContact O-N 3.35Å; S262-I266 WeakPolarHBondContact O-CB 3.35Å; S262-I266 WeakPolarHBondContact O-CD1 3.29Å; S262-I266 VanDerWaalsContact O-CG1 3.23Å; S262-I266 WeakPolarHBondContact O-CG1 3.44Å; S262-I266 PolarHBondContact O-N 2.83Å |
| 263 | E | 96.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.1 | -74.1 | -171.6 | -176.5 | 0 | 0 | 112.5 | L259 N260 R267 | L259-E263 PolarHBondContact O-N 2.86Å; N260-E263 PolarHBondContact O-N 3.17Å; E263-R267 WeakPolarHBondContact O-CB 3.48Å; E263-R267 VanDerWaalsContact O-CG 3.32Å; E263-R267 WeakPolarHBondContact O-CG 3.29Å; E263-R267 PolarHBondContact O-N 3.24Å; E263-R267 PolarHBondContact O-NE 3.16Å |
| 264 | R | 96.7 | Very high | 96.5 | Very high | 149 Ų | 149 | 99.5 Ų | 99.5 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | 172.7 | -172.1 | -164.4 | -176.2 | -171.7 | 0.1 | 110.8 | N260 E261 S262 R267 Y268 | N260-R264 WeakPolarHBondContact O-CB 3.34Å; N260-R264 PolarHBondContact O-N 3.49Å; E261-R264 WeakPolarHBondContact O-CB 3.29Å; E261-R264 PolarHBondContact O-N 3.41Å; E261-R264 IonicContact OE1-NH1 3.81Å; E261-R264 PolarHBondContact OE1-NH1 3.26Å; E261-R264 WeakPolarHBondContact OE2-CD 3.14Å; E261-R264 IonicContact OE2-CZ 3.35Å; E261-R264 IonicContact OE2-NE 3.71Å; E261-R264 IonicContact OE2-NH1 3.73Å; E261-R264 PolarHBondContact OE2-NH1 2.92Å; S262-R264 VanDerWaalsContact C-N 3.34Å; S262-R264 PolarHBondContact O-N 2.84Å; R264-R267 PolarHBondContact O-N 2.89Å; R264-Y268 WeakPolarHBondContact O-CB 3.34Å; R264-Y268 PolarHBondContact O-N 3.47Å |
| 265 | Q | 97.3 | Very high | 96.7 | Very high | 121 Ų | 121 | 99 Ų | 99 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 176.2 | -164.7 | 175.2 | 40.1 | 0 | 0 | 111.5 | E261 S262 Y268 L269 | E261-Q265 WeakPolarHBondContact O-CB 3.27Å; E261-Q265 PolarHBondContact O-N 2.72Å; S262-Q265 PolarHBondContact O-N 3.35Å; Q265-Y268 PolarHBondContact O-N 2.9Å; Q265-L269 HydrophobicContact CG-CD1 4.22Å; Q265-L269 WeakPolarHBondContact O-CB 3.4Å; Q265-L269 VanDerWaalsContact O-CG 3.29Å; Q265-L269 WeakPolarHBondContact O-CG 3.49Å; Q265-L269 PolarHBondContact O-N 3.03Å |
| 266 | I | 96.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 172.5 | -72.1 | 162.9 | 0 | 0 | 0 | 110.8 | S262 Y268 L269 N270 | S262-I266 WeakPolarHBondContact O-CB 3.35Å; S262-I266 WeakPolarHBondContact O-CD1 3.29Å; S262-I266 VanDerWaalsContact O-CG1 3.23Å; S262-I266 WeakPolarHBondContact O-CG1 3.44Å; S262-I266 PolarHBondContact O-N 2.83Å; I266-Y268 PolarHBondContact O-N 3.43Å; I266-L269 PolarHBondContact O-N 2.87Å; I266-N270 VanDerWaalsContact O-CB 3.3Å; I266-N270 WeakPolarHBondContact O-CB 3.36Å; I266-N270 PolarHBondContact O-N 3.34Å; I266-N270 PolarHBondContact O-ND2 2.88Å |
| 267 | R | 97.4 | Very high | 96.9 | Very high | 152 Ų | 152 | 101 Ų | 101 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 175.8 | -79 | 175.6 | -74.3 | 161.9 | -9.5 | 112.6 | E263 R264 H271 | E263-R267 WeakPolarHBondContact O-CB 3.48Å; E263-R267 VanDerWaalsContact O-CG 3.32Å; E263-R267 WeakPolarHBondContact O-CG 3.29Å; E263-R267 PolarHBondContact O-N 3.24Å; E263-R267 PolarHBondContact O-NE 3.16Å; R264-R267 PolarHBondContact O-N 2.89Å; R267-H271 PolarHBondContact O-N 2.9Å |
| 268 | Y | 97.4 | Very high | 97.1 | Very high | 140 Ų | 140 | 100 Ų | 100 | 55% | 0.549 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 176.9 | 178.5 | -108.2 | 0 | 0 | 0 | 112.2 | R264 Q265 I266 H271 Q272 | R264-Y268 WeakPolarHBondContact O-CB 3.34Å; R264-Y268 PolarHBondContact O-N 3.47Å; Q265-Y268 PolarHBondContact O-N 2.9Å; I266-Y268 PolarHBondContact O-N 3.43Å; Y268-H271 PolarHBondContact O-N 3.47Å; Y268-Q272 HydrophobicContact CE1-CG 4.44Å; Y268-Q272 VanDerWaalsContact CZ-NE2 3.3Å; Y268-Q272 PolarHBondContact O-N 3.14Å; Y268-Q272 PolarHBondContact OH-NE2 3.43Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.08Å |
| 269 | L | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 98.3 Ų | 98.3 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.2 | -70.4 | 170 | 0 | 0 | 0 | 111.8 | Q265 I266 H271 Q272 L273 | Q265-L269 HydrophobicContact CG-CD1 4.22Å; Q265-L269 WeakPolarHBondContact O-CB 3.4Å; Q265-L269 VanDerWaalsContact O-CG 3.29Å; Q265-L269 WeakPolarHBondContact O-CG 3.49Å; Q265-L269 PolarHBondContact O-N 3.03Å; I266-L269 PolarHBondContact O-N 2.87Å; L269-H271 VanDerWaalsContact C-N 3.33Å; L269-H271 PolarHBondContact O-N 3.01Å; L269-Q272 PolarHBondContact O-N 3.06Å; L269-L273 WeakPolarHBondContact O-CB 3.23Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.32Å; L269-L273 PolarHBondContact O-N 2.87Å |
| 270 | N | 97.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 99.6 Ų | 99.6 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 174.5 | -75.7 | -21.3 | 0 | 0 | 0 | 112.1 | I266 L273 V274 | I266-N270 VanDerWaalsContact O-CB 3.3Å; I266-N270 WeakPolarHBondContact O-CB 3.36Å; I266-N270 PolarHBondContact O-N 3.34Å; I266-N270 PolarHBondContact O-ND2 2.88Å; N270-L273 PolarHBondContact O-N 3.39Å; N270-V274 WeakPolarHBondContact O-CG2 3.38Å; N270-V274 PolarHBondContact O-N 3.36Å |
| 271 | H | 97.8 | Very high | 97.2 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 175.1 | -177.7 | 40.6 | 0 | 0 | 0 | 112.1 | R267 Y268 L269 L273 V274 I275 | R267-H271 PolarHBondContact O-N 2.9Å; Y268-H271 PolarHBondContact O-N 3.47Å; L269-H271 VanDerWaalsContact C-N 3.33Å; L269-H271 PolarHBondContact O-N 3.01Å; H271-L273 VanDerWaalsContact C-N 3.34Å; H271-L273 PolarHBondContact O-N 2.93Å; H271-V274 PolarHBondContact O-N 2.9Å; H271-I275 PolarHBondContact O-N 3.46Å |
| 272 | Q | 97.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 95.3 Ų | 95.3 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 172.3 | -71.3 | -169.9 | -21.6 | 0 | 0 | 112.1 | Y268 L269 V274 I275 I276 | Y268-Q272 HydrophobicContact CE1-CG 4.44Å; Y268-Q272 VanDerWaalsContact CZ-NE2 3.3Å; Y268-Q272 PolarHBondContact O-N 3.14Å; Y268-Q272 PolarHBondContact OH-NE2 3.43Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.08Å; L269-Q272 PolarHBondContact O-N 3.06Å; Q272-V274 VanDerWaalsContact C-N 3.31Å; Q272-V274 PolarHBondContact O-N 3.22Å; Q272-I275 PolarHBondContact O-N 3.08Å; Q272-I276 WeakPolarHBondContact O-CB 3.33Å; Q272-I276 VanDerWaalsContact O-CG1 3.26Å; Q272-I276 WeakPolarHBondContact O-CG1 3.42Å; Q272-I276 PolarHBondContact O-N 3.16Å |
| 273 | L | 97.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -35.1 | 177.9 | -74.2 | 169.9 | 0 | 0 | 0 | 112.6 | L269 N270 H271 K277 | L269-L273 WeakPolarHBondContact O-CB 3.23Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.32Å; L269-L273 PolarHBondContact O-N 2.87Å; N270-L273 PolarHBondContact O-N 3.39Å; H271-L273 VanDerWaalsContact C-N 3.34Å; H271-L273 PolarHBondContact O-N 2.93Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 PolarHBondContact O-N 3.01Å |
| 274 | V | 97.9 | Very high | 97.5 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.1 | -49.6 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | N270 H271 Q272 I276 K277 D278 | N270-V274 WeakPolarHBondContact O-CG2 3.38Å; N270-V274 PolarHBondContact O-N 3.36Å; H271-V274 PolarHBondContact O-N 2.9Å; Q272-V274 VanDerWaalsContact C-N 3.31Å; Q272-V274 PolarHBondContact O-N 3.22Å; V274-I276 PolarHBondContact O-N 2.65Å; V274-K277 WeakPolarHBondContact O-CB 3.31Å; V274-K277 PolarHBondContact O-N 3.49Å; V274-D278 PolarHBondContact O-N 3.05Å |
| 275 | I | 97.4 | Very high | 97.5 | Very high | 53 Ų | 53 | 94.7 Ų | 94.7 | 27% | 0.272 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 178.1 | -67.9 | 169.5 | 0 | 0 | 0 | 110.9 | H271 Q272 K277 D278 E279 | H271-I275 PolarHBondContact O-N 3.46Å; Q272-I275 PolarHBondContact O-N 3.08Å; I275-K277 VanDerWaalsContact C-N 3.25Å; I275-K277 PolarHBondContact O-N 3.16Å; I275-D278 PolarHBondContact O-N 2.92Å; I275-E279 HydrophobicContact CG2-CG 4.28Å; I275-E279 WeakPolarHBondContact CG2-OE1 3.33Å; I275-E279 WeakPolarHBondContact O-CB 3.35Å; I275-E279 WeakPolarHBondContact O-CG 3.47Å; I275-E279 PolarHBondContact O-N 2.91Å |
| 276 | I | 97.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 92.3 Ų | 92.3 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | -179.1 | -67.5 | 166.4 | 0 | 0 | 0 | 111.2 | Q272 V274 K280 | Q272-I276 WeakPolarHBondContact O-CB 3.33Å; Q272-I276 VanDerWaalsContact O-CG1 3.26Å; Q272-I276 WeakPolarHBondContact O-CG1 3.42Å; Q272-I276 PolarHBondContact O-N 3.16Å; V274-I276 PolarHBondContact O-N 2.65Å; I276-K280 WeakPolarHBondContact O-CB 3.22Å; I276-K280 PolarHBondContact O-N 3.46Å |
| 277 | K | 97.9 | Very high | 97.6 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.3 | -48.8 | 174.4 | -176.5 | -162.6 | 167.6 | -148.3 | 0 | 111.2 | L273 V274 I275 E279 K280 D281 | L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 PolarHBondContact O-N 3.01Å; V274-K277 WeakPolarHBondContact O-CB 3.31Å; V274-K277 PolarHBondContact O-N 3.49Å; I275-K277 VanDerWaalsContact C-N 3.25Å; I275-K277 PolarHBondContact O-N 3.16Å; K277-E279 VanDerWaalsContact C-N 3.35Å; K277-K280 PolarHBondContact O-N 3.44Å; K277-D281 WeakPolarHBondContact CE-OD2 3.5Å; K277-D281 WeakPolarHBondContact O-CB 2.98Å; K277-D281 PolarHBondContact O-N 2.88Å |
| 278 | D | 97.6 | Very high | 97.6 | Very high | 97 Ų | 97 | 92.5 Ų | 92.5 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | -177.9 | -65.3 | -15.9 | 0 | 0 | 0 | 111.1 | V274 I275 G282 | V274-D278 PolarHBondContact O-N 3.05Å; I275-D278 PolarHBondContact O-N 2.92Å; D278-G282 PolarHBondContact O-N 3.48Å |
| 279 | E | 97.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 91.9 Ų | 91.9 | 41% | 0.407 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 169.8 | -74.7 | 175.7 | 178.4 | 0 | 0 | 111.8 | I275 K277 G282 L283 | I275-E279 HydrophobicContact CG2-CG 4.28Å; I275-E279 WeakPolarHBondContact CG2-OE1 3.33Å; I275-E279 WeakPolarHBondContact O-CB 3.35Å; I275-E279 WeakPolarHBondContact O-CG 3.47Å; I275-E279 PolarHBondContact O-N 2.91Å; K277-E279 VanDerWaalsContact C-N 3.35Å; E279-G282 PolarHBondContact O-N 3.37Å; E279-L283 WeakPolarHBondContact O-CB 3.44Å; E279-L283 WeakPolarHBondContact O-CG 3.46Å; E279-L283 PolarHBondContact O-N 2.99Å |
| 280 | K | 97.2 | Very high | 97.5 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 52% | 0.522 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.1 | 171.7 | -118.7 | 161.2 | -148.3 | 0 | 112.3 | I276 K277 L283 T284 | I276-K280 WeakPolarHBondContact O-CB 3.22Å; I276-K280 PolarHBondContact O-N 3.46Å; K277-K280 PolarHBondContact O-N 3.44Å; K280-L283 PolarHBondContact O-N 3.46Å; K280-T284 WeakPolarHBondContact O-CB 3.42Å; K280-T284 PolarHBondContact O-N 3.25Å; K280-T284 PolarHBondContact O-OG1 2.95Å |
| 281 | D | 97.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 92.6 Ų | 92.6 | 31% | 0.305 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.3 | -34.9 | 177.8 | -70.2 | -14 | 0 | 0 | 0 | 110.5 | K277 T284 L285 | K277-D281 WeakPolarHBondContact CE-OD2 3.5Å; K277-D281 WeakPolarHBondContact O-CB 2.98Å; K277-D281 PolarHBondContact O-N 2.88Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 3.22Å; D281-L285 WeakPolarHBondContact O-CG 3.37Å; D281-L285 PolarHBondContact O-N 2.9Å |
| 282 | G | 97.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 93.9 Ų | 93.9 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D278 E279 T284 L285 S286 | D278-G282 PolarHBondContact O-N 3.48Å; E279-G282 PolarHBondContact O-N 3.37Å; G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.45Å; G282-L285 WeakPolarHBondContact O-CB 3.44Å; G282-L285 PolarHBondContact O-N 3.43Å; G282-S286 PolarHBondContact O-N 3.09Å |
| 283 | L | 97.4 | Very high | 97.5 | Very high | 122 Ų | 122 | 96.3 Ų | 96.3 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -35 | 171.6 | -73.8 | 170.3 | 0 | 0 | 0 | 111.9 | E279 K280 S286 L287 | E279-L283 WeakPolarHBondContact O-CB 3.44Å; E279-L283 WeakPolarHBondContact O-CG 3.46Å; E279-L283 PolarHBondContact O-N 2.99Å; K280-L283 PolarHBondContact O-N 3.46Å; L283-S286 PolarHBondContact O-N 2.9Å; L283-L287 WeakPolarHBondContact O-CB 3.28Å; L283-L287 PolarHBondContact O-N 3.23Å |
| 284 | T | 97.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 98.1 Ų | 98.1 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.9 | K280 D281 G282 R288 | K280-T284 WeakPolarHBondContact O-CB 3.42Å; K280-T284 PolarHBondContact O-N 3.25Å; K280-T284 PolarHBondContact O-OG1 2.95Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 3.22Å; G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.45Å; T284-R288 WeakPolarHBondContact O-CB 3.24Å; T284-R288 PolarHBondContact O-N 2.9Å |
| 285 | L | 97.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -50.6 | 171.9 | -68.8 | 171.6 | 0 | 0 | 0 | 111.4 | D281 G282 L287 R288 E289 | D281-L285 WeakPolarHBondContact O-CG 3.37Å; D281-L285 PolarHBondContact O-N 2.9Å; G282-L285 WeakPolarHBondContact O-CB 3.44Å; G282-L285 PolarHBondContact O-N 3.43Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 2.81Å; L285-R288 WeakPolarHBondContact O-CB 3.49Å; L285-R288 PolarHBondContact O-N 3.4Å; L285-E289 PolarHBondContact O-N 3.05Å |
| 286 | S | 97.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 100.8 Ų | 100.8 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | G282 L283 R288 E289 S290 | G282-S286 PolarHBondContact O-N 3.09Å; L283-S286 PolarHBondContact O-N 2.9Å; S286-R288 PolarHBondContact O-N 3.47Å; S286-E289 PolarHBondContact O-N 3.21Å; S286-S290 WeakPolarHBondContact O-CB 3.36Å; S286-S290 PolarHBondContact O-N 3.21Å |
| 287 | L | 97.8 | Very high | 97.5 | Very high | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.3 | 178.5 | 60.9 | 0 | 0 | 0 | 112.2 | L283 L285 S290 Q291 | L283-L287 WeakPolarHBondContact O-CB 3.28Å; L283-L287 PolarHBondContact O-N 3.23Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 2.81Å; L287-S290 PolarHBondContact O-N 2.84Å; L287-Q291 HydrophobicContact CD1-CG 4.34Å; L287-Q291 WeakPolarHBondContact O-CB 3.47Å; L287-Q291 VanDerWaalsContact O-CG 3.23Å; L287-Q291 WeakPolarHBondContact O-CG 3.41Å; L287-Q291 PolarHBondContact O-N 3.47Å |
| 288 | R | 97.8 | Very high | 97.5 | Very high | 148 Ų | 148 | 96.9 Ų | 96.9 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -39.9 | 178.4 | -175.2 | -173.4 | -62.4 | 144.3 | 3.5 | 112 | T284 L285 S286 K292 | T284-R288 WeakPolarHBondContact O-CB 3.24Å; T284-R288 PolarHBondContact O-N 2.9Å; L285-R288 WeakPolarHBondContact O-CB 3.49Å; L285-R288 PolarHBondContact O-N 3.4Å; S286-R288 PolarHBondContact O-N 3.47Å; R288-K292 WeakPolarHBondContact O-CB 3.37Å; R288-K292 PolarHBondContact O-N 3.36Å |
| 289 | E | 97.4 | Very high | 97.5 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.4 | -43.8 | 177.2 | -71.5 | 174.4 | 176.8 | 0 | 0 | 111.4 | L285 S286 Q291 K292 L293 | L285-E289 PolarHBondContact O-N 3.05Å; S286-E289 PolarHBondContact O-N 3.21Å; E289-Q291 PolarHBondContact O-N 2.97Å; E289-K292 WeakPolarHBondContact O-CB 3.24Å; E289-K292 PolarHBondContact O-N 3.49Å; E289-L293 WeakPolarHBondContact O-CG 3.46Å; E289-L293 PolarHBondContact O-N 2.9Å |
| 290 | S | 95.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | S286 L287 K292 L293 F294 | S286-S290 WeakPolarHBondContact O-CB 3.36Å; S286-S290 PolarHBondContact O-N 3.21Å; L287-S290 PolarHBondContact O-N 2.84Å; S290-K292 VanDerWaalsContact C-N 3.34Å; S290-K292 PolarHBondContact O-N 3.08Å; S290-L293 PolarHBondContact O-N 3.16Å; S290-F294 WeakPolarHBondContact O-CB 3.43Å; S290-F294 PolarHBondContact O-N 2.61Å |
| 291 | Q | 97.8 | Very high | 97.5 | Very high | 114 Ų | 114 | 99.2 Ų | 99.2 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 174.4 | -76.3 | 171.1 | -10.1 | 0 | 0 | 112.6 | L287 E289 F294 Q295 | L287-Q291 HydrophobicContact CD1-CG 4.34Å; L287-Q291 WeakPolarHBondContact O-CB 3.47Å; L287-Q291 VanDerWaalsContact O-CG 3.23Å; L287-Q291 WeakPolarHBondContact O-CG 3.41Å; L287-Q291 PolarHBondContact O-N 3.47Å; E289-Q291 PolarHBondContact O-N 2.97Å; Q291-F294 PolarHBondContact O-N 3.04Å; Q291-Q295 WeakPolarHBondContact O-CB 3.48Å; Q291-Q295 PolarHBondContact O-N 2.72Å |
| 292 | K | 98.2 | Very high | 97.6 | Very high | 143 Ų | 143 | 101 Ų | 101 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 175.3 | -174.8 | -176.7 | 177.1 | -173.9 | 0 | 111.6 | R288 E289 S290 Q295 N296 | R288-K292 WeakPolarHBondContact O-CB 3.37Å; R288-K292 PolarHBondContact O-N 3.36Å; E289-K292 WeakPolarHBondContact O-CB 3.24Å; E289-K292 PolarHBondContact O-N 3.49Å; S290-K292 VanDerWaalsContact C-N 3.34Å; S290-K292 PolarHBondContact O-N 3.08Å; K292-Q295 PolarHBondContact O-N 3.23Å; K292-N296 WeakPolarHBondContact O-CB 3.45Å; K292-N296 VanDerWaalsContact O-CG 3.31Å; K292-N296 PolarHBondContact O-N 3.41Å; K292-N296 PolarHBondContact O-OD1 3.44Å |
| 293 | L | 97.6 | Very high | 97.6 | Very high | 125 Ų | 125 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 177 | -69.9 | 175.2 | 0 | 0 | 0 | 111.9 | E289 S290 N296 G297 | E289-L293 WeakPolarHBondContact O-CG 3.46Å; E289-L293 PolarHBondContact O-N 2.9Å; S290-L293 PolarHBondContact O-N 3.16Å; L293-N296 PolarHBondContact O-N 3.19Å; L293-G297 PolarHBondContact O-N 2.87Å |
| 294 | F | 97.4 | Very high | 97.6 | Very high | 148 Ų | 148 | 100.6 Ų | 100.6 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 173.6 | 176.1 | -99.7 | 0 | 0 | 0 | 112.1 | S290 Q291 G297 K298 | S290-F294 WeakPolarHBondContact O-CB 3.43Å; S290-F294 PolarHBondContact O-N 2.61Å; Q291-F294 PolarHBondContact O-N 3.04Å; F294-G297 PolarHBondContact O-N 2.96Å; F294-K298 WeakPolarHBondContact O-CB 3.39Å; F294-K298 PolarHBondContact O-N 2.97Å |
| 295 | Q | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.6 | -176.9 | 54.7 | 47.7 | 0 | 0 | 112.2 | Q291 K292 K298 E299 | Q291-Q295 WeakPolarHBondContact O-CB 3.48Å; Q291-Q295 PolarHBondContact O-N 2.72Å; K292-Q295 PolarHBondContact O-N 3.23Å; Q295-K298 PolarHBondContact O-N 3.41Å; Q295-E299 PolarHBondContact O-N 2.94Å |
| 296 | N | 97.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 100.8 Ų | 100.8 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 172.1 | -72.8 | 15 | 0 | 0 | 0 | 111.7 | K292 L293 E299 R300 | K292-N296 WeakPolarHBondContact O-CB 3.45Å; K292-N296 VanDerWaalsContact O-CG 3.31Å; K292-N296 PolarHBondContact O-N 3.41Å; K292-N296 PolarHBondContact O-OD1 3.44Å; L293-N296 PolarHBondContact O-N 3.19Å; N296-E299 PolarHBondContact O-N 3Å; N296-R300 PolarHBondContact O-N 3.41Å |
| 297 | G | 97.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 102.4 Ų | 102.4 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L293 F294 E299 R300 E301 | L293-G297 PolarHBondContact O-N 2.87Å; F294-G297 PolarHBondContact O-N 2.96Å; G297-E299 PolarHBondContact O-N 3.49Å; G297-R300 WeakPolarHBondContact O-CB 3.39Å; G297-R300 PolarHBondContact O-N 3.44Å; G297-E301 WeakPolarHBondContact O-CB 3.26Å; G297-E301 PolarHBondContact O-N 2.84Å |
| 298 | K | 98.3 | Very high | 97.7 | Very high | 94 Ų | 94 | 102 Ų | 102 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.5 | -178.1 | 173 | -179 | 177.2 | 0 | 113 | F294 Q295 R300 E301 I302 | F294-K298 WeakPolarHBondContact O-CB 3.39Å; F294-K298 PolarHBondContact O-N 2.97Å; Q295-K298 PolarHBondContact O-N 3.41Å; K298-R300 VanDerWaalsContact C-N 3.34Å; K298-E301 PolarHBondContact O-N 2.91Å; K298-I302 HydrophobicContact CG-CD1 4.22Å; K298-I302 VanDerWaalsContact O-CG1 3.25Å; K298-I302 WeakPolarHBondContact O-CG1 3.36Å; K298-I302 PolarHBondContact O-N 3.11Å |
| 299 | E | 97.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 172.9 | -168.7 | -177 | 155.8 | 0 | 0 | 111 | Q295 N296 G297 I302 Q303 | Q295-E299 PolarHBondContact O-N 2.94Å; N296-E299 PolarHBondContact O-N 3Å; G297-E299 PolarHBondContact O-N 3.49Å; E299-I302 PolarHBondContact O-N 3.3Å; E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.1Å |
| 300 | R | 97.8 | Very high | 97.8 | Very high | 131 Ų | 131 | 96.1 Ų | 96.1 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 176.8 | -172.7 | 57.2 | 176.3 | 170.6 | 3.2 | 112.9 | N296 G297 K298 Q303 L304 | N296-R300 PolarHBondContact O-N 3.41Å; G297-R300 WeakPolarHBondContact O-CB 3.39Å; G297-R300 PolarHBondContact O-N 3.44Å; K298-R300 VanDerWaalsContact C-N 3.34Å; R300-Q303 PolarHBondContact O-N 2.78Å; R300-L304 HydrophobicContact CG-CD1 4.35Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å; R300-L304 PolarHBondContact O-N 3.13Å |
| 301 | E | 97.5 | Very high | 97.9 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 172.1 | 179.4 | 177.8 | -136.2 | 0 | 0 | 111 | G297 K298 Q303 L304 E305 | G297-E301 WeakPolarHBondContact O-CB 3.26Å; G297-E301 PolarHBondContact O-N 2.84Å; K298-E301 PolarHBondContact O-N 2.91Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 2.99Å; E301-L304 PolarHBondContact O-N 2.83Å; E301-L304 VanDerWaalsContact O-N 3.15Å; E301-E305 PolarHBondContact O-N 3.45Å |
| 302 | I | 97.9 | Very high | 97.9 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.8 | -66.8 | 168.5 | 0 | 0 | 0 | 111.9 | K298 E299 A306 | K298-I302 HydrophobicContact CG-CD1 4.22Å; K298-I302 VanDerWaalsContact O-CG1 3.25Å; K298-I302 WeakPolarHBondContact O-CG1 3.36Å; K298-I302 PolarHBondContact O-N 3.11Å; E299-I302 PolarHBondContact O-N 3.3Å; I302-A306 WeakPolarHBondContact O-CB 3.37Å; I302-A306 PolarHBondContact O-N 3.07Å |
| 303 | Q | 98.1 | Very high | 97.9 | Very high | 76 Ų | 76 | 94 Ų | 94 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 174 | -71.9 | 170.3 | 12.7 | 0 | 0 | 112 | E299 R300 E301 A306 Q307 | E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.1Å; R300-Q303 PolarHBondContact O-N 2.78Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-Q303 PolarHBondContact O-N 2.99Å; Q303-A306 PolarHBondContact O-N 3.28Å; Q303-Q307 WeakPolarHBondContact O-CG 3.46Å; Q303-Q307 PolarHBondContact O-N 2.86Å |
| 304 | L | 98.2 | Very high | 98 | Very high | 73 Ų | 73 | 93.6 Ų | 93.6 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 179.3 | -70.6 | 170.3 | 0 | 0 | 0 | 111.8 | R300 E301 A306 Q307 I308 | R300-L304 HydrophobicContact CG-CD1 4.35Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å; R300-L304 PolarHBondContact O-N 3.13Å; E301-L304 PolarHBondContact O-N 2.83Å; E301-L304 VanDerWaalsContact O-N 3.15Å; L304-A306 VanDerWaalsContact C-N 3.29Å; L304-A306 PolarHBondContact O-N 3.44Å; L304-Q307 PolarHBondContact O-N 3.33Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 2.8Å |
| 305 | E | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 92 Ų | 92 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 170.5 | -82.2 | -162.7 | -161.6 | 0 | 0 | 112.1 | E301 I308 K309 | E301-E305 PolarHBondContact O-N 3.45Å; E305-I308 PolarHBondContact O-N 3.42Å; E305-K309 WeakPolarHBondContact O-CB 3.39Å; E305-K309 WeakPolarHBondContact O-CD 3.21Å; E305-K309 VanDerWaalsContact O-CG 3.29Å; E305-K309 WeakPolarHBondContact O-CG 3.46Å; E305-K309 PolarHBondContact O-N 2.89Å; E305-K309 IonicContact OE2-NZ 2.74Å; E305-K309 PolarHBondContact OE2-NZ 2.91Å |
| 306 | A | 97.9 | Very high | 98.1 | Very high | 60 Ų | 60 | 93.5 Ų | 93.5 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I302 Q303 L304 A310 | I302-A306 WeakPolarHBondContact O-CB 3.37Å; I302-A306 PolarHBondContact O-N 3.07Å; Q303-A306 PolarHBondContact O-N 3.28Å; L304-A306 VanDerWaalsContact C-N 3.29Å; L304-A306 PolarHBondContact O-N 3.44Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.5Å |
| 307 | Q | 98.5 | Very high | 98.1 | Very high | 105 Ų | 105 | 92.4 Ų | 92.4 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 173.9 | -72.8 | 177.5 | -0.9 | 0 | 0 | 112.1 | Q303 L304 A310 L311 | Q303-Q307 WeakPolarHBondContact O-CG 3.46Å; Q303-Q307 PolarHBondContact O-N 2.86Å; L304-Q307 PolarHBondContact O-N 3.33Å; Q307-A310 PolarHBondContact O-N 2.91Å; Q307-L311 WeakPolarHBondContact O-CG 3.39Å; Q307-L311 PolarHBondContact O-N 3.41Å |
| 308 | I | 97.8 | Very high | 98.1 | Very high | 92 Ų | 92 | 96 Ų | 96 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -51.6 | 175.1 | -70.5 | 163.9 | 0 | 0 | 0 | 109.9 | L304 E305 A310 L311 E312 | L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 2.8Å; E305-I308 PolarHBondContact O-N 3.42Å; I308-A310 VanDerWaalsContact C-N 3.27Å; I308-A310 PolarHBondContact O-N 2.94Å; I308-L311 PolarHBondContact O-N 3.32Å; I308-L311 VanDerWaalsContact O-N 3.09Å; I308-E312 HydrophobicContact CG2-CG 4.2Å; I308-E312 WeakPolarHBondContact O-CB 3.46Å; I308-E312 WeakPolarHBondContact O-CG 3.38Å; I308-E312 PolarHBondContact O-N 3.47Å |
| 309 | K | 98.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 97.3 Ų | 97.3 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -35.2 | 178.8 | -70.7 | 160.4 | -174.4 | 165.6 | 0 | 112.6 | E305 T313 | E305-K309 WeakPolarHBondContact O-CB 3.39Å; E305-K309 WeakPolarHBondContact O-CD 3.21Å; E305-K309 VanDerWaalsContact O-CG 3.29Å; E305-K309 WeakPolarHBondContact O-CG 3.46Å; E305-K309 PolarHBondContact O-N 2.89Å; E305-K309 IonicContact OE2-NZ 2.74Å; E305-K309 PolarHBondContact OE2-NZ 2.91Å; K309-T313 WeakPolarHBondContact O-CB 3.36Å; K309-T313 PolarHBondContact O-N 2.88Å; K309-T313 VanDerWaalsContact O-N 3.07Å; K309-T313 PolarHBondContact O-OG1 3.41Å |
| 310 | A | 98.2 | Very high | 98.2 | Very high | 47 Ų | 47 | 96.9 Ų | 96.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A306 Q307 I308 T313 Q314 | A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.5Å; Q307-A310 PolarHBondContact O-N 2.91Å; I308-A310 VanDerWaalsContact C-N 3.27Å; I308-A310 PolarHBondContact O-N 2.94Å; A310-T313 PolarHBondContact O-N 2.94Å; A310-Q314 WeakPolarHBondContact O-CG 3.22Å; A310-Q314 PolarHBondContact O-N 3.4Å |
| 311 | L | 98.3 | Very high | 98.2 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 176.7 | -69.8 | 170.3 | 0 | 0 | 0 | 112.2 | Q307 I308 T313 Q314 I315 | Q307-L311 WeakPolarHBondContact O-CG 3.39Å; Q307-L311 PolarHBondContact O-N 3.41Å; I308-L311 PolarHBondContact O-N 3.32Å; I308-L311 VanDerWaalsContact O-N 3.09Å; L311-T313 VanDerWaalsContact C-N 3.27Å; L311-T313 PolarHBondContact O-N 2.8Å; L311-Q314 PolarHBondContact O-N 2.81Å; L311-Q314 VanDerWaalsContact O-N 3.15Å; L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.26Å; L311-I315 PolarHBondContact O-N 2.84Å |
| 312 | E | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 94.7 Ų | 94.7 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.1 | -42.5 | 171.5 | -72.6 | 173.5 | 153.6 | 0 | 0 | 111.4 | I308 I315 Q316 | I308-E312 HydrophobicContact CG2-CG 4.2Å; I308-E312 WeakPolarHBondContact O-CB 3.46Å; I308-E312 WeakPolarHBondContact O-CG 3.38Å; I308-E312 PolarHBondContact O-N 3.47Å; E312-I315 PolarHBondContact O-N 2.86Å; E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.21Å |
| 313 | T | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | K309 A310 L311 Q316 A317 | K309-T313 WeakPolarHBondContact O-CB 3.36Å; K309-T313 PolarHBondContact O-N 2.88Å; K309-T313 VanDerWaalsContact O-N 3.07Å; K309-T313 PolarHBondContact O-OG1 3.41Å; A310-T313 PolarHBondContact O-N 2.94Å; L311-T313 VanDerWaalsContact C-N 3.27Å; L311-T313 PolarHBondContact O-N 2.8Å; T313-Q316 PolarHBondContact O-N 3.42Å; T313-A317 PolarHBondContact O-N 2.94Å |
| 314 | Q | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 95.2 Ų | 95.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.4 | -71.1 | 172.9 | 32.7 | 0 | 0 | 112.1 | A310 L311 Q316 A317 L318 | A310-Q314 WeakPolarHBondContact O-CG 3.22Å; A310-Q314 PolarHBondContact O-N 3.4Å; L311-Q314 PolarHBondContact O-N 2.81Å; L311-Q314 VanDerWaalsContact O-N 3.15Å; Q314-Q316 VanDerWaalsContact C-N 3.33Å; Q314-Q316 PolarHBondContact O-N 3.39Å; Q314-A317 PolarHBondContact O-N 2.94Å; Q314-L318 WeakPolarHBondContact O-CB 3.16Å; Q314-L318 WeakPolarHBondContact O-CG 3.44Å; Q314-L318 PolarHBondContact O-N 2.7Å |
| 315 | I | 98.1 | Very high | 98.2 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 59% | 0.59 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 176.5 | -69.1 | 163.9 | 0 | 0 | 0 | 110.8 | L311 E312 L318 K319 | L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.26Å; L311-I315 PolarHBondContact O-N 2.84Å; E312-I315 PolarHBondContact O-N 2.86Å; I315-L318 PolarHBondContact O-N 3.03Å; I315-K319 WeakPolarHBondContact O-CB 3.43Å; I315-K319 PolarHBondContact O-N 3.48Å |
| 316 | Q | 98.5 | Very high | 98.2 | Very high | 134 Ų | 134 | 95.6 Ų | 95.6 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 174.7 | -72.1 | 175.3 | 37.3 | 0 | 0 | 112.2 | E312 T313 Q314 K319 V320 | E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.21Å; T313-Q316 PolarHBondContact O-N 3.42Å; Q314-Q316 VanDerWaalsContact C-N 3.33Å; Q314-Q316 PolarHBondContact O-N 3.39Å; Q316-K319 PolarHBondContact O-N 2.83Å; Q316-V320 WeakPolarHBondContact O-CG2 3.38Å; Q316-V320 PolarHBondContact O-N 3.39Å |
| 317 | A | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 98.5 Ų | 98.5 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T313 Q314 V320 N321 | T313-A317 PolarHBondContact O-N 2.94Å; Q314-A317 PolarHBondContact O-N 2.94Å; A317-V320 PolarHBondContact O-N 3.22Å; A317-N321 PolarHBondContact O-N 3.05Å |
| 318 | L | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 98.3 Ų | 98.3 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 175.5 | -73.7 | 172 | 0 | 0 | 0 | 111.8 | Q314 I315 V320 N321 E322 | Q314-L318 WeakPolarHBondContact O-CB 3.16Å; Q314-L318 WeakPolarHBondContact O-CG 3.44Å; Q314-L318 PolarHBondContact O-N 2.7Å; I315-L318 PolarHBondContact O-N 3.03Å; L318-V320 PolarHBondContact O-N 3.26Å; L318-N321 WeakPolarHBondContact O-CB 3.46Å; L318-N321 PolarHBondContact O-N 2.93Å; L318-E322 WeakPolarHBondContact O-CB 3.48Å; L318-E322 PolarHBondContact O-N 3Å |
| 319 | K | 98.5 | Very high | 98.1 | Very high | 120 Ų | 120 | 96.5 Ų | 96.5 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.4 | -176 | 179.9 | 175.9 | -177.5 | 0 | 112.7 | I315 Q316 N321 E322 E323 | I315-K319 WeakPolarHBondContact O-CB 3.43Å; I315-K319 PolarHBondContact O-N 3.48Å; Q316-K319 PolarHBondContact O-N 2.83Å; K319-N321 VanDerWaalsContact C-N 3.31Å; K319-N321 PolarHBondContact O-N 3.36Å; K319-E322 PolarHBondContact O-N 3.49Å; K319-E323 PolarHBondContact O-N 3.47Å |
| 320 | V | 98.4 | Very high | 98.1 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 58% | 0.582 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Q316 A317 L318 Q324 | Q316-V320 WeakPolarHBondContact O-CG2 3.38Å; Q316-V320 PolarHBondContact O-N 3.39Å; A317-V320 PolarHBondContact O-N 3.22Å; L318-V320 PolarHBondContact O-N 3.26Å; V320-Q324 WeakPolarHBondContact O-CB 3.5Å; V320-Q324 PolarHBondContact O-N 3.4Å |
| 321 | N | 98 | Very high | 98.1 | Very high | 81 Ų | 81 | 101 Ų | 101 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 173.5 | -173.8 | 32.9 | 0 | 0 | 0 | 112.1 | A317 L318 K319 E323 Q324 M325 | A317-N321 PolarHBondContact O-N 3.05Å; L318-N321 WeakPolarHBondContact O-CB 3.46Å; L318-N321 PolarHBondContact O-N 2.93Å; K319-N321 VanDerWaalsContact C-N 3.31Å; K319-N321 PolarHBondContact O-N 3.36Å; N321-E323 PolarHBondContact O-N 2.8Å; N321-Q324 CarbonylContact O-C 3.59Å; N321-Q324 WeakPolarHBondContact O-CA 3.44Å; N321-Q324 WeakPolarHBondContact O-CB 3.34Å; N321-Q324 PolarHBondContact O-N 3.4Å; N321-Q324 VanDerWaalsContact O-N 3.09Å; N321-M325 WeakPolarHBondContact O-CG 3.14Å; N321-M325 PolarHBondContact O-N 3.35Å |
| 322 | E | 97.8 | Very high | 98 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.8 | -50.8 | 173.4 | -178 | -171 | -171.7 | 0 | 0 | 111 | L318 K319 Q324 M325 I326 | L318-E322 WeakPolarHBondContact O-CB 3.48Å; L318-E322 PolarHBondContact O-N 3Å; K319-E322 PolarHBondContact O-N 3.49Å; E322-Q324 VanDerWaalsContact C-N 3.26Å; E322-Q324 PolarHBondContact O-N 3.17Å; E322-M325 PolarHBondContact O-N 3.06Å; E322-M325 VanDerWaalsContact O-N 3.13Å; E322-I326 HydrophobicContact CG-CD1 3.98Å; E322-I326 WeakPolarHBondContact O-CG1 3.38Å; E322-I326 PolarHBondContact O-N 2.86Å |
| 323 | E | 98.1 | Very high | 98 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 175.2 | -78.2 | -169.8 | -148.1 | 0 | 0 | 112.9 | K319 N321 K327 | K319-E323 PolarHBondContact O-N 3.47Å; N321-E323 PolarHBondContact O-N 2.8Å; E323-K327 WeakPolarHBondContact O-CB 3.39Å; E323-K327 WeakPolarHBondContact O-CD 3.24Å; E323-K327 WeakPolarHBondContact O-CE 3.41Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.74Å; E323-K327 VanDerWaalsContact O-N 3.12Å; E323-K327 IonicContact OE2-NZ 2.71Å; E323-K327 PolarHBondContact OE2-NZ 3.01Å |
| 324 | Q | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 175.1 | -170.9 | -176.3 | 4.4 | 0 | 0 | 111.7 | V320 N321 E322 K327 K328 | V320-Q324 WeakPolarHBondContact O-CB 3.5Å; V320-Q324 PolarHBondContact O-N 3.4Å; N321-Q324 CarbonylContact O-C 3.59Å; N321-Q324 WeakPolarHBondContact O-CA 3.44Å; N321-Q324 WeakPolarHBondContact O-CB 3.34Å; N321-Q324 PolarHBondContact O-N 3.4Å; N321-Q324 VanDerWaalsContact O-N 3.09Å; E322-Q324 VanDerWaalsContact C-N 3.26Å; E322-Q324 PolarHBondContact O-N 3.17Å; Q324-K327 PolarHBondContact O-N 2.61Å; Q324-K328 WeakPolarHBondContact O-CG 3.33Å; Q324-K328 PolarHBondContact O-N 3.3Å |
| 325 | M | 97.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.6 | -69.5 | -60 | -68.2 | 0 | 0 | 111.7 | N321 E322 K327 K328 S329 | N321-M325 WeakPolarHBondContact O-CG 3.14Å; N321-M325 PolarHBondContact O-N 3.35Å; E322-M325 PolarHBondContact O-N 3.06Å; E322-M325 VanDerWaalsContact O-N 3.13Å; M325-K327 VanDerWaalsContact C-N 3.32Å; M325-K327 PolarHBondContact O-N 2.88Å; M325-K328 PolarHBondContact O-N 3.07Å; M325-K328 HydrophobicContact SD-CD 3.78Å; M325-S329 WeakPolarHBondContact O-CB 3.43Å; M325-S329 PolarHBondContact O-N 2.88Å |
| 326 | I | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 171.6 | -67.9 | 167 | 0 | 0 | 0 | 111 | E322 S329 R330 | E322-I326 HydrophobicContact CG-CD1 3.98Å; E322-I326 WeakPolarHBondContact O-CG1 3.38Å; E322-I326 PolarHBondContact O-N 2.86Å; I326-S329 PolarHBondContact O-N 3.15Å; I326-R330 WeakPolarHBondContact O-CG 3.35Å; I326-R330 PolarHBondContact O-N 2.87Å |
| 327 | K | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 98 Ų | 98 | 53% | 0.526 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.7 | -72.2 | 158.4 | -163 | 157.5 | 0 | 111.4 | E323 Q324 M325 T331 | E323-K327 WeakPolarHBondContact O-CB 3.39Å; E323-K327 WeakPolarHBondContact O-CD 3.24Å; E323-K327 WeakPolarHBondContact O-CE 3.41Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.74Å; E323-K327 VanDerWaalsContact O-N 3.12Å; E323-K327 IonicContact OE2-NZ 2.71Å; E323-K327 PolarHBondContact OE2-NZ 3.01Å; Q324-K327 PolarHBondContact O-N 2.61Å; M325-K327 VanDerWaalsContact C-N 3.32Å; M325-K327 PolarHBondContact O-N 2.88Å; K327-T331 PolarHBondContact O-N 3.02Å; K327-T331 VanDerWaalsContact O-N 3.17Å; K327-T331 PolarHBondContact O-OG1 2.87Å |
| 328 | K | 98.2 | Very high | 97.8 | Very high | 101 Ų | 101 | 98 Ų | 98 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 173.7 | -71.1 | 171.5 | -175.6 | 170.5 | 0 | 111.9 | Q324 M325 R330 T331 T332 | Q324-K328 WeakPolarHBondContact O-CG 3.33Å; Q324-K328 PolarHBondContact O-N 3.3Å; M325-K328 PolarHBondContact O-N 3.07Å; M325-K328 HydrophobicContact SD-CD 3.78Å; K328-R330 VanDerWaalsContact C-N 3.34Å; K328-R330 PolarHBondContact O-N 3.28Å; K328-T331 WeakPolarHBondContact CA-OG1 3.32Å; K328-T331 PolarHBondContact O-N 2.67Å; K328-T331 PolarHBondContact O-OG1 3.03Å; K328-T332 PolarHBondContact O-N 3.42Å; K328-T332 PolarHBondContact O-OG1 2.85Å |
| 329 | S | 97 | Very high | 97.7 | Very high | 55 Ų | 55 | 97.8 Ų | 97.8 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -53.4 | -50.5 | 179.9 | -163 | 0 | 0 | 0 | 0 | 111 | M325 I326 T331 T332 E333 | M325-S329 WeakPolarHBondContact O-CB 3.43Å; M325-S329 PolarHBondContact O-N 2.88Å; I326-S329 PolarHBondContact O-N 3.15Å; S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact O-N 2.83Å; S329-T332 WeakPolarHBondContact CA-OG1 3.43Å; S329-T332 CarbonylContact O-C 3.57Å; S329-T332 PolarHBondContact O-N 3.07Å; S329-T332 VanDerWaalsContact O-N 3.07Å; S329-T332 PolarHBondContact O-OG1 3.29Å; S329-E333 VanDerWaalsContact CB-OE1 3.25Å; S329-E333 WeakPolarHBondContact CB-OE1 3.16Å; S329-E333 WeakPolarHBondContact O-CB 3.25Å; S329-E333 VanDerWaalsContact O-CD 3.3Å; S329-E333 VanDerWaalsContact O-CG 3.22Å; S329-E333 WeakPolarHBondContact O-CG 3.35Å; S329-E333 PolarHBondContact O-N 2.83Å; S329-E333 PolarHBondContact OG-OE1 2.8Å |
| 330 | R | 98 | Very high | 97.6 | Very high | 155 Ų | 155 | 96.8 Ų | 96.8 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.4 | -39.4 | 176.4 | -71.3 | 176.3 | -177.1 | 177.6 | 2.7 | 113.4 | I326 K328 E333 M334 | I326-R330 WeakPolarHBondContact O-CG 3.35Å; I326-R330 PolarHBondContact O-N 2.87Å; K328-R330 VanDerWaalsContact C-N 3.34Å; K328-R330 PolarHBondContact O-N 3.28Å; R330-E333 PolarHBondContact N-OE1 2.99Å; R330-E333 PolarHBondContact O-N 3.37Å; R330-M334 WeakPolarHBondContact O-CB 3.33Å; R330-M334 VanDerWaalsContact O-CG 3.27Å; R330-M334 WeakPolarHBondContact O-CG 3.17Å; R330-M334 PolarHBondContact O-N 3.03Å |
| 331 | T | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 97.1 Ų | 97.1 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -35.4 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | K327 K328 S329 A335 | K327-T331 PolarHBondContact O-N 3.02Å; K327-T331 VanDerWaalsContact O-N 3.17Å; K327-T331 PolarHBondContact O-OG1 2.87Å; K328-T331 WeakPolarHBondContact CA-OG1 3.32Å; K328-T331 PolarHBondContact O-N 2.67Å; K328-T331 PolarHBondContact O-OG1 3.03Å; S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact O-N 2.83Å; T331-A335 WeakPolarHBondContact O-CB 3.4Å; T331-A335 PolarHBondContact O-N 3.32Å; T331-A335 VanDerWaalsContact O-N 3.13Å |
| 332 | T | 97.2 | Very high | 97.3 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.1 | -36.1 | 174.1 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | K328 S329 A335 L336 | K328-T332 PolarHBondContact O-N 3.42Å; K328-T332 PolarHBondContact O-OG1 2.85Å; S329-T332 WeakPolarHBondContact CA-OG1 3.43Å; S329-T332 CarbonylContact O-C 3.57Å; S329-T332 PolarHBondContact O-N 3.07Å; S329-T332 VanDerWaalsContact O-N 3.07Å; S329-T332 PolarHBondContact O-OG1 3.29Å; T332-A335 PolarHBondContact O-N 3.29Å; T332-L336 VanDerWaalsContact O-CB 3.25Å; T332-L336 WeakPolarHBondContact O-CB 3.36Å; T332-L336 PolarHBondContact O-N 3.32Å |
| 333 | E | 97.8 | Very high | 97 | Very high | 99 Ų | 99 | 97.3 Ų | 97.3 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 172.6 | -70.7 | 151.6 | -141.5 | 0 | 0 | 110.8 | S329 R330 A335 L336 E337 | S329-E333 VanDerWaalsContact CB-OE1 3.25Å; S329-E333 WeakPolarHBondContact CB-OE1 3.16Å; S329-E333 WeakPolarHBondContact O-CB 3.25Å; S329-E333 VanDerWaalsContact O-CD 3.3Å; S329-E333 VanDerWaalsContact O-CG 3.22Å; S329-E333 WeakPolarHBondContact O-CG 3.35Å; S329-E333 PolarHBondContact O-N 2.83Å; S329-E333 PolarHBondContact OG-OE1 2.8Å; R330-E333 PolarHBondContact N-OE1 2.99Å; R330-E333 PolarHBondContact O-N 3.37Å; E333-A335 PolarHBondContact O-N 3.41Å; E333-L336 PolarHBondContact O-N 2.95Å; E333-E337 PolarHBondContact O-N 2.81Å |
| 334 | M | 97.6 | Very high | 96.6 | Very high | 142 Ų | 142 | 96.4 Ų | 96.4 | 70% | 0.7 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 177.1 | -72 | 177.2 | 68.7 | 0 | 0 | 112.8 | R330 S338 | R330-M334 WeakPolarHBondContact O-CB 3.33Å; R330-M334 VanDerWaalsContact O-CG 3.27Å; R330-M334 WeakPolarHBondContact O-CG 3.17Å; R330-M334 PolarHBondContact O-N 3.03Å; M334-S338 WeakPolarHBondContact O-CB 3.44Å; M334-S338 PolarHBondContact O-N 3.49Å |
| 335 | A | 96.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T331 T332 E333 S338 L339 | T331-A335 WeakPolarHBondContact O-CB 3.4Å; T331-A335 PolarHBondContact O-N 3.32Å; T331-A335 VanDerWaalsContact O-N 3.13Å; T332-A335 PolarHBondContact O-N 3.29Å; E333-A335 PolarHBondContact O-N 3.41Å; A335-S338 PolarHBondContact O-N 3.33Å; A335-L339 WeakPolarHBondContact O-CG 3.29Å; A335-L339 PolarHBondContact O-N 2.94Å |
| 336 | L | 97.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 96.4 Ų | 96.4 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.7 | -179.2 | 154.3 | 0 | 0 | 0 | 111.6 | T332 E333 L339 K340 | T332-L336 VanDerWaalsContact O-CB 3.25Å; T332-L336 WeakPolarHBondContact O-CB 3.36Å; T332-L336 PolarHBondContact O-N 3.32Å; E333-L336 PolarHBondContact O-N 2.95Å; L336-L339 PolarHBondContact O-N 3.48Å; L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 VanDerWaalsContact CD2-CE 3.47Å; L336-K340 HydrophobicContact CD2-CG 4.47Å; L336-K340 PolarHBondContact O-N 2.94Å |
| 337 | E | 97.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 176.3 | -152.2 | 62.8 | -144.5 | 0 | 0 | 111.9 | E333 L339 K340 Q341 | E333-E337 PolarHBondContact O-N 2.81Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.3Å; E337-K340 PolarHBondContact O-N 3.44Å; E337-K340 WeakPolarHBondContact OE1-CD 3.39Å; E337-K340 IonicContact OE1-NZ 2.8Å; E337-K340 PolarHBondContact OE1-NZ 3.43Å; E337-K340 WeakPolarHBondContact OE2-CD 3.38Å; E337-K340 IonicContact OE2-NZ 3.13Å; E337-K340 PolarHBondContact OE2-NZ 2.93Å; E337-Q341 PolarHBondContact O-N 2.9Å |
| 338 | S | 97.8 | Very high | 94 | Very high | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 172.5 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | M334 A335 Q341 Q342 | M334-S338 WeakPolarHBondContact O-CB 3.44Å; M334-S338 PolarHBondContact O-N 3.49Å; A335-S338 PolarHBondContact O-N 3.33Å; S338-Q341 PolarHBondContact O-N 3.26Å; S338-Q342 WeakPolarHBondContact O-CG 3.38Å; S338-Q342 PolarHBondContact O-N 2.84Å |
| 339 | L | 96.8 | Very high | 93.5 | Very high | 111 Ų | 111 | 96.9 Ų | 96.9 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.5 | -37.6 | 175 | -71.7 | 171 | 0 | 0 | 0 | 112.3 | A335 L336 E337 Q342 L343 | A335-L339 WeakPolarHBondContact O-CG 3.29Å; A335-L339 PolarHBondContact O-N 2.94Å; L336-L339 PolarHBondContact O-N 3.48Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.3Å; L339-Q342 PolarHBondContact O-N 2.73Å; L339-L343 PolarHBondContact O-N 2.89Å |
| 340 | K | 96.1 | Very high | 92.7 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 169.8 | -74.5 | 173.8 | -178 | 163.4 | 0 | 111.5 | L336 E337 Q342 L343 V344 | L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 VanDerWaalsContact CD2-CE 3.47Å; L336-K340 HydrophobicContact CD2-CG 4.47Å; L336-K340 PolarHBondContact O-N 2.94Å; E337-K340 PolarHBondContact O-N 3.44Å; E337-K340 WeakPolarHBondContact OE1-CD 3.39Å; E337-K340 IonicContact OE1-NZ 2.8Å; E337-K340 PolarHBondContact OE1-NZ 3.43Å; E337-K340 WeakPolarHBondContact OE2-CD 3.38Å; E337-K340 IonicContact OE2-NZ 3.13Å; E337-K340 PolarHBondContact OE2-NZ 2.93Å; K340-Q342 VanDerWaalsContact C-N 3.33Å; K340-Q342 PolarHBondContact O-N 2.95Å; K340-L343 WeakPolarHBondContact O-CB 3.44Å; K340-L343 PolarHBondContact O-N 3.33Å; K340-L343 VanDerWaalsContact O-N 3.15Å; K340-V344 WeakPolarHBondContact O-CG2 3.46Å; K340-V344 PolarHBondContact O-N 3.16Å |
| 341 | Q | 95.8 | Very high | 92 | Very high | 103 Ų | 103 | 96.8 Ų | 96.8 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.6 | -172 | 61.1 | 56 | 0 | 0 | 110.8 | E337 S338 L343 V344 D345 | E337-Q341 PolarHBondContact O-N 2.9Å; S338-Q341 PolarHBondContact O-N 3.26Å; Q341-L343 VanDerWaalsContact C-N 3.31Å; Q341-L343 PolarHBondContact O-N 3.45Å; Q341-V344 CarbonylContact O-C 3.6Å; Q341-V344 WeakPolarHBondContact O-CB 3.48Å; Q341-V344 PolarHBondContact O-N 3.32Å; Q341-V344 VanDerWaalsContact O-N 3.12Å; Q341-D345 PolarHBondContact NE2-OD1 2.83Å; Q341-D345 WeakPolarHBondContact O-CB 3.49Å; Q341-D345 PolarHBondContact O-N 2.79Å |
| 342 | Q | 94 | Very high | 91.5 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 174.3 | -71.6 | 173.4 | 14.8 | 0 | 0 | 112.9 | S338 L339 K340 D345 L346 | S338-Q342 WeakPolarHBondContact O-CG 3.38Å; S338-Q342 PolarHBondContact O-N 2.84Å; L339-Q342 PolarHBondContact O-N 2.73Å; K340-Q342 VanDerWaalsContact C-N 3.33Å; K340-Q342 PolarHBondContact O-N 2.95Å; Q342-D345 PolarHBondContact O-N 2.8Å; Q342-L346 WeakPolarHBondContact O-CB 3.33Å; Q342-L346 VanDerWaalsContact O-CG 3.24Å; Q342-L346 WeakPolarHBondContact O-CG 3.32Å; Q342-L346 PolarHBondContact O-N 2.71Å |
| 343 | L | 90.4 | Very high | 91.1 | Very high | 101 Ų | 101 | 95.6 Ų | 95.6 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 173.9 | -179.8 | 63.7 | 0 | 0 | 0 | 111.8 | L339 K340 Q341 L346 H347 | L339-L343 PolarHBondContact O-N 2.89Å; K340-L343 WeakPolarHBondContact O-CB 3.44Å; K340-L343 PolarHBondContact O-N 3.33Å; K340-L343 VanDerWaalsContact O-N 3.15Å; Q341-L343 VanDerWaalsContact C-N 3.31Å; Q341-L343 PolarHBondContact O-N 3.45Å; L343-L346 PolarHBondContact O-N 2.86Å; L343-H347 PolarHBondContact O-CD2 3.03Å; L343-H347 PolarHBondContact O-N 3.44Å |
| 344 | V | 90.1 | Very high | 90.7 | Very high | 64 Ų | 64 | 96.6 Ų | 96.6 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | K340 Q341 L346 H347 H348 | K340-V344 WeakPolarHBondContact O-CG2 3.46Å; K340-V344 PolarHBondContact O-N 3.16Å; Q341-V344 CarbonylContact O-C 3.6Å; Q341-V344 WeakPolarHBondContact O-CB 3.48Å; Q341-V344 PolarHBondContact O-N 3.32Å; Q341-V344 VanDerWaalsContact O-N 3.12Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 2.94Å; V344-H347 PolarHBondContact O-N 3.37Å; V344-H348 PolarHBondContact O-N 3.32Å; V344-H348 PolarHBondContact O-ND1 3.24Å |
| 345 | D | 88.9 | Confident | 90.4 | Very high | 87 Ų | 87 | 92.5 Ų | 92.5 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 178.9 | -61.6 | -19.3 | 0 | 0 | 0 | 111.9 | Q341 Q342 H348 S349 | Q341-D345 PolarHBondContact NE2-OD1 2.83Å; Q341-D345 WeakPolarHBondContact O-CB 3.49Å; Q341-D345 PolarHBondContact O-N 2.79Å; Q342-D345 PolarHBondContact O-N 2.8Å; D345-H348 CarbonylContact O-C 3.59Å; D345-S349 PolarHBondContact O-N 3.03Å |
| 346 | L | 87.1 | Confident | 90.1 | Very high | 113 Ų | 113 | 96.1 Ų | 96.1 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 171.6 | -76.4 | 168.7 | 0 | 0 | 0 | 112.2 | Q342 L343 V344 S349 | Q342-L346 WeakPolarHBondContact O-CB 3.33Å; Q342-L346 VanDerWaalsContact O-CG 3.24Å; Q342-L346 WeakPolarHBondContact O-CG 3.32Å; Q342-L346 PolarHBondContact O-N 2.71Å; L343-L346 PolarHBondContact O-N 2.86Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 2.94Å; L346-S349 WeakPolarHBondContact O-CB 3.25Å; L346-S349 PolarHBondContact O-N 2.74Å |
| 347 | H | 79.9 | Confident | 89.9 | Confident | 117 Ų | 117 | 95.6 Ų | 95.6 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 173.4 | -95.7 | -96.1 | 0 | 0 | 0 | 112.6 | L343 V344 S349 | L343-H347 PolarHBondContact O-CD2 3.03Å; L343-H347 PolarHBondContact O-N 3.44Å; V344-H347 PolarHBondContact O-N 3.37Å; H347-S349 PolarHBondContact O-N 3.33Å |
| 348 | H | 82.1 | Confident | 89.8 | Confident | 141 Ų | 141 | 96.4 Ų | 96.4 | 65% | 0.653 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.2 | 174.1 | -65.9 | 82.8 | 0 | 0 | 0 | 112.8 | V344 D345 E350 | V344-H348 PolarHBondContact O-N 3.32Å; V344-H348 PolarHBondContact O-ND1 3.24Å; D345-H348 CarbonylContact O-C 3.59Å; H348-E350 PolarHBondContact O-N 3.27Å |
| 349 | S | 88.7 | Confident | 89.7 | Confident | 45 Ų | 45 | 99.5 Ų | 99.5 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | trans | -64.2 | 104.9 | 178.5 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | D345 L346 H347 S351 L352 Q353 | D345-S349 PolarHBondContact O-N 3.03Å; L346-S349 WeakPolarHBondContact O-CB 3.25Å; L346-S349 PolarHBondContact O-N 2.74Å; H347-S349 PolarHBondContact O-N 3.33Å; S349-S351 PolarHBondContact O-N 3.31Å; S349-L352 PolarHBondContact O-N 2.88Å; S349-Q353 PolarHBondContact O-N 2.99Å | ||
| 350 | E | 78.9 | Confident | 89.8 | Confident | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -52.8 | -28 | -178.1 | -60.9 | -176.9 | 178.5 | 0 | 0 | 112.9 | H348 R354 | H348-E350 PolarHBondContact O-N 3.27Å; E350-R354 VanDerWaalsContact CB-NH2 3.27Å; E350-R354 WeakPolarHBondContact O-CB 3.33Å; E350-R354 WeakPolarHBondContact O-CG 3.24Å; E350-R354 PolarHBondContact O-N 2.87Å; E350-R354 PolarHBondContact O-NE 3.44Å; E350-R354 IonicContact OE2-CZ 2.73Å; E350-R354 IonicContact OE2-NE 3.22Å; E350-R354 IonicContact OE2-NH2 3.86Å; E350-R354 PolarHBondContact OE2-NH2 3.28Å |
| 351 | S | 83.6 | Confident | 89.9 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 177.2 | -157 | 0 | 0 | 0 | 0 | 111.8 | S349 A355 | S349-S351 PolarHBondContact O-N 3.31Å; S351-A355 VanDerWaalsContact O-CB 3.25Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.22Å |
| 352 | L | 87.3 | Confident | 90 | Very high | 79 Ų | 79 | 98.7 Ų | 98.7 | 41% | 0.414 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 175.9 | 178.4 | 60.6 | 0 | 0 | 0 | 111.2 | S349 A355 R356 | S349-L352 PolarHBondContact O-N 2.88Å; L352-A355 PolarHBondContact O-N 2.72Å; L352-R356 WeakPolarHBondContact O-CG 3.3Å; L352-R356 PolarHBondContact O-N 3.3Å |
| 353 | Q | 88.6 | Confident | 90.2 | Very high | 79 Ų | 79 | 97 Ų | 97 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 177.9 | 179.3 | 55.9 | 22.7 | 0 | 0 | 111.3 | S349 A355 R356 E357 | S349-Q353 PolarHBondContact O-N 2.99Å; Q353-A355 VanDerWaalsContact C-N 3.3Å; Q353-A355 PolarHBondContact O-N 3.41Å; Q353-R356 WeakPolarHBondContact O-CB 3.5Å; Q353-R356 PolarHBondContact O-N 3.38Å; Q353-R356 VanDerWaalsContact O-N 3.13Å; Q353-E357 WeakPolarHBondContact CG-OE1 3.28Å; Q353-E357 PolarHBondContact NE2-OE1 3.41Å; Q353-E357 WeakPolarHBondContact O-CG 3.38Å; Q353-E357 PolarHBondContact O-N 2.9Å |
| 354 | R | 89 | Confident | 90.5 | Very high | 119 Ų | 119 | 98 Ų | 98 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 173.8 | -73.7 | -177.6 | -93.9 | 102.2 | -8.9 | 112 | E350 R356 E357 Q358 | E350-R354 VanDerWaalsContact CB-NH2 3.27Å; E350-R354 WeakPolarHBondContact O-CB 3.33Å; E350-R354 WeakPolarHBondContact O-CG 3.24Å; E350-R354 PolarHBondContact O-N 2.87Å; E350-R354 PolarHBondContact O-NE 3.44Å; E350-R354 IonicContact OE2-CZ 2.73Å; E350-R354 IonicContact OE2-NE 3.22Å; E350-R354 IonicContact OE2-NH2 3.86Å; E350-R354 PolarHBondContact OE2-NH2 3.28Å; R354-R356 VanDerWaalsContact C-N 3.32Å; R354-R356 PolarHBondContact O-N 3.26Å; R354-E357 PolarHBondContact O-N 3.09Å; R354-Q358 WeakPolarHBondContact O-CB 3.31Å; R354-Q358 VanDerWaalsContact O-CG 3.26Å; R354-Q358 WeakPolarHBondContact O-CG 3.48Å; R354-Q358 PolarHBondContact O-N 2.99Å |
| 355 | A | 91.4 | Very high | 90.9 | Very high | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S351 L352 Q353 H359 | S351-A355 VanDerWaalsContact O-CB 3.25Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.22Å; L352-A355 PolarHBondContact O-N 2.72Å; Q353-A355 VanDerWaalsContact C-N 3.3Å; Q353-A355 PolarHBondContact O-N 3.41Å; A355-H359 WeakPolarHBondContact O-CB 3.34Å; A355-H359 PolarHBondContact O-N 2.87Å |
| 356 | R | 91.4 | Very high | 91.3 | Very high | 129 Ų | 129 | 96.1 Ų | 96.1 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 173 | -69.7 | 170.2 | 175.6 | -176.7 | -2.5 | 111.7 | L352 Q353 R354 Q358 H359 E360 | L352-R356 WeakPolarHBondContact O-CG 3.3Å; L352-R356 PolarHBondContact O-N 3.3Å; Q353-R356 WeakPolarHBondContact O-CB 3.5Å; Q353-R356 PolarHBondContact O-N 3.38Å; Q353-R356 VanDerWaalsContact O-N 3.13Å; R354-R356 VanDerWaalsContact C-N 3.32Å; R354-R356 PolarHBondContact O-N 3.26Å; R356-Q358 VanDerWaalsContact C-N 3.34Å; R356-Q358 PolarHBondContact O-N 2.99Å; R356-H359 WeakPolarHBondContact O-CB 3.39Å; R356-H359 PolarHBondContact O-N 3.35Å; R356-H359 VanDerWaalsContact O-N 3.13Å; R356-E360 WeakPolarHBondContact O-CB 3.34Å; R356-E360 PolarHBondContact O-N 3.24Å |
| 357 | E | 93.2 | Very high | 91.8 | Very high | 85 Ų | 85 | 94 Ų | 94 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 178.2 | -68.7 | 164.6 | 179.1 | 0 | 0 | 112.5 | Q353 R354 S361 | Q353-E357 WeakPolarHBondContact CG-OE1 3.28Å; Q353-E357 PolarHBondContact NE2-OE1 3.41Å; Q353-E357 WeakPolarHBondContact O-CG 3.38Å; Q353-E357 PolarHBondContact O-N 2.9Å; R354-E357 PolarHBondContact O-N 3.09Å; E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.27Å |
| 358 | Q | 94.6 | Very high | 92.7 | Very high | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 173.7 | -69.1 | -53 | -73.9 | 0 | 0 | 111.6 | R354 R356 S361 I362 | R354-Q358 WeakPolarHBondContact O-CB 3.31Å; R354-Q358 VanDerWaalsContact O-CG 3.26Å; R354-Q358 WeakPolarHBondContact O-CG 3.48Å; R354-Q358 PolarHBondContact O-N 2.99Å; R356-Q358 VanDerWaalsContact C-N 3.34Å; R356-Q358 PolarHBondContact O-N 2.99Å; Q358-S361 PolarHBondContact O-N 3.49Å; Q358-I362 WeakPolarHBondContact O-CB 3.25Å; Q358-I362 WeakPolarHBondContact O-CD1 3.47Å; Q358-I362 WeakPolarHBondContact O-CG1 3.32Å; Q358-I362 PolarHBondContact O-N 2.83Å |
| 359 | H | 96.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 93.2 Ų | 93.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | 176.4 | -179.8 | -92.5 | 0 | 0 | 0 | 111.9 | A355 R356 S361 I362 V363 | A355-H359 WeakPolarHBondContact O-CB 3.34Å; A355-H359 PolarHBondContact O-N 2.87Å; R356-H359 WeakPolarHBondContact O-CB 3.39Å; R356-H359 PolarHBondContact O-N 3.35Å; R356-H359 VanDerWaalsContact O-N 3.13Å; H359-S361 PolarHBondContact O-N 3.11Å; H359-I362 PolarHBondContact O-N 3.32Å; H359-V363 WeakPolarHBondContact O-CG2 3.32Å; H359-V363 PolarHBondContact O-N 2.89Å |
| 360 | E | 97.5 | Very high | 93.9 | Very high | 134 Ų | 134 | 98.1 Ų | 98.1 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 176.2 | -174.6 | 176.7 | 178.9 | 0 | 0 | 111.7 | R356 I362 V363 M364 | R356-E360 WeakPolarHBondContact O-CB 3.34Å; R356-E360 PolarHBondContact O-N 3.24Å; E360-I362 PolarHBondContact O-N 2.89Å; E360-V363 PolarHBondContact O-N 3.21Å; E360-M364 VanDerWaalsContact O-CB 3.27Å; E360-M364 WeakPolarHBondContact O-CB 3.46Å; E360-M364 PolarHBondContact O-N 2.87Å |
| 361 | S | 98 | Very high | 94.8 | Very high | 63 Ų | 63 | 97.1 Ų | 97.1 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -42 | 174.4 | -177 | 0 | 0 | 0 | 0 | 112.8 | E357 Q358 H359 G365 | E357-S361 WeakPolarHBondContact O-CB 3.48Å; E357-S361 PolarHBondContact O-N 3.27Å; Q358-S361 PolarHBondContact O-N 3.49Å; H359-S361 PolarHBondContact O-N 3.11Å; S361-G365 PolarHBondContact O-N 3.47Å |
| 362 | I | 97.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 176.1 | -71.2 | 164.3 | 0 | 0 | 0 | 111 | Q358 H359 E360 G365 L366 | Q358-I362 WeakPolarHBondContact O-CB 3.25Å; Q358-I362 WeakPolarHBondContact O-CD1 3.47Å; Q358-I362 WeakPolarHBondContact O-CG1 3.32Å; Q358-I362 PolarHBondContact O-N 2.83Å; H359-I362 PolarHBondContact O-N 3.32Å; E360-I362 PolarHBondContact O-N 2.89Å; I362-G365 PolarHBondContact O-N 2.98Å; I362-L366 HydrophobicContact CG2-CD1 3.96Å; I362-L366 WeakPolarHBondContact O-CB 3.35Å; I362-L366 WeakPolarHBondContact O-CG 3.35Å; I362-L366 PolarHBondContact O-N 2.93Å |
| 363 | V | 98.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 99.5 Ų | 99.5 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -52.3 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | H359 E360 G365 L366 T367 | H359-V363 WeakPolarHBondContact O-CG2 3.32Å; H359-V363 PolarHBondContact O-N 2.89Å; E360-V363 PolarHBondContact O-N 3.21Å; V363-G365 VanDerWaalsContact C-N 3.29Å; V363-G365 PolarHBondContact O-N 3.4Å; V363-L366 PolarHBondContact O-N 3.18Å; V363-L366 VanDerWaalsContact O-N 3.09Å; V363-T367 PolarHBondContact O-N 2.87Å; V363-T367 PolarHBondContact O-OG1 2.99Å; V363-T367 VanDerWaalsContact O-OG1 3.07Å |
| 364 | M | 97.9 | Very high | 96.5 | Very high | 123 Ų | 123 | 100.2 Ų | 100.2 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.4 | -43 | 175.6 | 176.5 | 172.4 | 57.2 | 0 | 0 | 111.9 | E360 L366 K368 | E360-M364 VanDerWaalsContact O-CB 3.27Å; E360-M364 WeakPolarHBondContact O-CB 3.46Å; E360-M364 PolarHBondContact O-N 2.87Å; M364-L366 VanDerWaalsContact C-N 3.32Å; M364-L366 PolarHBondContact O-N 3.49Å; M364-K368 VanDerWaalsContact O-CB 3.3Å; M364-K368 WeakPolarHBondContact O-CB 3.44Å; M364-K368 PolarHBondContact O-N 2.89Å |
| 365 | G | 98.2 | Very high | 97 | Very high | 31 Ų | 31 | 100.4 Ų | 100.4 | 32% | 0.32 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -25.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S361 I362 V363 K369 | S361-G365 PolarHBondContact O-N 3.47Å; I362-G365 PolarHBondContact O-N 2.98Å; V363-G365 VanDerWaalsContact C-N 3.29Å; V363-G365 PolarHBondContact O-N 3.4Å; G365-K369 WeakPolarHBondContact O-CD 3.33Å; G365-K369 VanDerWaalsContact O-CG 3.24Å; G365-K369 WeakPolarHBondContact O-CG 3.37Å |
| 366 | L | 97.8 | Very high | 97.3 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81.9 | -49.1 | 171.9 | -74.4 | 170.6 | 0 | 0 | 0 | 111.2 | I362 V363 M364 K368 K369 Y370 | I362-L366 HydrophobicContact CG2-CD1 3.96Å; I362-L366 WeakPolarHBondContact O-CB 3.35Å; I362-L366 WeakPolarHBondContact O-CG 3.35Å; I362-L366 PolarHBondContact O-N 2.93Å; V363-L366 PolarHBondContact O-N 3.18Å; V363-L366 VanDerWaalsContact O-N 3.09Å; M364-L366 VanDerWaalsContact C-N 3.32Å; M364-L366 PolarHBondContact O-N 3.49Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.31Å; L366-K369 WeakPolarHBondContact O-CB 3.27Å; L366-K369 PolarHBondContact O-N 3.22Å; L366-Y370 HydrophobicContact CB-CE2 4.4Å; L366-Y370 WeakPolarHBondContact O-CD2 3.14Å; L366-Y370 PolarHBondContact O-N 2.94Å |
| 367 | T | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52.6 | -52.3 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | V363 K369 Y370 E371 | V363-T367 PolarHBondContact O-N 2.87Å; V363-T367 PolarHBondContact O-OG1 2.99Å; V363-T367 VanDerWaalsContact O-OG1 3.07Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 3.44Å; T367-Y370 PolarHBondContact O-N 2.89Å; T367-E371 HydrophobicContact CG2-CG 4.48Å; T367-E371 WeakPolarHBondContact O-CG 3.44Å; T367-E371 PolarHBondContact O-N 3.04Å |
| 368 | K | 98.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 177.2 | 179.1 | 170.3 | 172.8 | 172 | 0 | 113.3 | M364 L366 Y370 E371 E372 | M364-K368 VanDerWaalsContact O-CB 3.3Å; M364-K368 WeakPolarHBondContact O-CB 3.44Å; M364-K368 PolarHBondContact O-N 2.89Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.31Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; K368-Y370 PolarHBondContact O-N 3.07Å; K368-E371 PolarHBondContact O-N 3.36Å; K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.39Å; K368-E372 IonicContact NZ-OE1 2.83Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 VanDerWaalsContact O-CG 3.29Å; K368-E372 WeakPolarHBondContact O-CG 3.45Å; K368-E372 PolarHBondContact O-N 2.99Å |
| 369 | K | 98.1 | Very high | 98 | Very high | 125 Ų | 125 | 102.2 Ų | 102.2 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 175.4 | -78.7 | 173.2 | -176.5 | 174.3 | 0 | 112.4 | G365 L366 T367 Q373 | G365-K369 WeakPolarHBondContact O-CD 3.33Å; G365-K369 VanDerWaalsContact O-CG 3.24Å; G365-K369 WeakPolarHBondContact O-CG 3.37Å; L366-K369 WeakPolarHBondContact O-CB 3.27Å; L366-K369 PolarHBondContact O-N 3.22Å; T367-K369 VanDerWaalsContact C-N 3.31Å; T367-K369 PolarHBondContact O-N 3.44Å; K369-Q373 WeakPolarHBondContact O-CB 3.28Å; K369-Q373 VanDerWaalsContact O-CG 3.28Å; K369-Q373 WeakPolarHBondContact O-CG 3.32Å; K369-Q373 PolarHBondContact O-N 2.75Å; K369-Q373 VanDerWaalsContact O-N 3.09Å; K369-Q373 PolarHBondContact O-NE2 2.88Å |
| 370 | Y | 98.1 | Very high | 98.1 | Very high | 149 Ų | 149 | 100.4 Ų | 100.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.4 | -40.3 | 175.1 | -71.1 | -61.9 | 0 | 0 | 0 | 111.4 | L366 T367 K368 Q373 V374 | L366-Y370 HydrophobicContact CB-CE2 4.4Å; L366-Y370 WeakPolarHBondContact O-CD2 3.14Å; L366-Y370 PolarHBondContact O-N 2.94Å; T367-Y370 PolarHBondContact O-N 2.89Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; K368-Y370 PolarHBondContact O-N 3.07Å; Y370-Q373 PolarHBondContact O-N 3.07Å; Y370-V374 WeakPolarHBondContact O-CG2 3.22Å; Y370-V374 PolarHBondContact O-N 3.33Å |
| 371 | E | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 171.2 | -67.7 | 168 | 168.3 | 0 | 0 | 111.7 | T367 K368 Q373 V374 L375 | T367-E371 HydrophobicContact CG2-CG 4.48Å; T367-E371 WeakPolarHBondContact O-CG 3.44Å; T367-E371 PolarHBondContact O-N 3.04Å; K368-E371 PolarHBondContact O-N 3.36Å; E371-Q373 VanDerWaalsContact C-N 3.32Å; E371-Q373 PolarHBondContact O-N 3.29Å; E371-V374 PolarHBondContact O-N 2.84Å; E371-L375 WeakPolarHBondContact O-CB 3.28Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.45Å; E371-L375 PolarHBondContact O-N 3.07Å |
| 372 | E | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 99.2 Ų | 99.2 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 176.5 | -74.9 | 173.5 | 172.5 | 0 | 0 | 112.5 | K368 S376 | K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.39Å; K368-E372 IonicContact NZ-OE1 2.83Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 VanDerWaalsContact O-CG 3.29Å; K368-E372 WeakPolarHBondContact O-CG 3.45Å; K368-E372 PolarHBondContact O-N 2.99Å; E372-S376 VanDerWaalsContact O-CB 3.27Å; E372-S376 WeakPolarHBondContact O-CB 3.38Å; E372-S376 PolarHBondContact O-N 3.39Å |
| 373 | Q | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 97.1 Ų | 97.1 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 173.8 | -79.4 | 168.9 | 95 | 0 | 0 | 112.3 | K369 Y370 E371 S376 L377 | K369-Q373 WeakPolarHBondContact O-CB 3.28Å; K369-Q373 VanDerWaalsContact O-CG 3.28Å; K369-Q373 WeakPolarHBondContact O-CG 3.32Å; K369-Q373 PolarHBondContact O-N 2.75Å; K369-Q373 VanDerWaalsContact O-N 3.09Å; K369-Q373 PolarHBondContact O-NE2 2.88Å; Y370-Q373 PolarHBondContact O-N 3.07Å; E371-Q373 VanDerWaalsContact C-N 3.32Å; E371-Q373 PolarHBondContact O-N 3.29Å; Q373-S376 PolarHBondContact O-N 3Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 WeakPolarHBondContact O-CG 3.42Å; Q373-L377 PolarHBondContact O-N 3.45Å |
| 374 | V | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | Y370 E371 S376 L377 Q378 | Y370-V374 WeakPolarHBondContact O-CG2 3.22Å; Y370-V374 PolarHBondContact O-N 3.33Å; E371-V374 PolarHBondContact O-N 2.84Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.09Å; V374-L377 PolarHBondContact O-N 2.9Å; V374-Q378 WeakPolarHBondContact O-CB 3.49Å; V374-Q378 PolarHBondContact O-N 2.76Å |
| 375 | L | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 96.2 Ų | 96.2 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 175.7 | -70.4 | 169.6 | 0 | 0 | 0 | 112.4 | E371 K379 | E371-L375 WeakPolarHBondContact O-CB 3.28Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.45Å; E371-L375 PolarHBondContact O-N 3.07Å; L375-K379 WeakPolarHBondContact O-CB 3.27Å; L375-K379 PolarHBondContact O-N 3.12Å |
| 376 | S | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 98.5 Ų | 98.5 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.8 | -175 | 0 | 0 | 0 | 0 | 112 | E372 Q373 V374 K379 N380 | E372-S376 VanDerWaalsContact O-CB 3.27Å; E372-S376 WeakPolarHBondContact O-CB 3.38Å; E372-S376 PolarHBondContact O-N 3.39Å; Q373-S376 PolarHBondContact O-N 3Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.09Å; S376-K379 PolarHBondContact O-N 3.34Å; S376-N380 VanDerWaalsContact O-CG 3.24Å; S376-N380 PolarHBondContact O-N 3.5Å; S376-N380 PolarHBondContact O-ND2 2.98Å |
| 377 | L | 98.2 | Very high | 98.2 | Very high | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 177 | -71.7 | 172.1 | 0 | 0 | 0 | 112.1 | Q373 V374 N380 L381 | Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 WeakPolarHBondContact O-CG 3.42Å; Q373-L377 PolarHBondContact O-N 3.45Å; V374-L377 PolarHBondContact O-N 2.9Å; L377-N380 PolarHBondContact O-N 3.15Å; L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 PolarHBondContact O-N 2.8Å |
| 378 | Q | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 43% | 0.425 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.4 | -175.5 | 60.9 | 48.9 | 0 | 0 | 110.9 | V374 N380 L381 D382 | V374-Q378 WeakPolarHBondContact O-CB 3.49Å; V374-Q378 PolarHBondContact O-N 2.76Å; Q378-N380 VanDerWaalsContact C-N 3.28Å; Q378-N380 PolarHBondContact O-N 3.02Å; Q378-L381 CarbonylContact O-C 3.56Å; Q378-L381 WeakPolarHBondContact O-CA 3.16Å; Q378-L381 WeakPolarHBondContact O-CB 3.15Å; Q378-L381 PolarHBondContact O-N 2.92Å; Q378-L381 VanDerWaalsContact O-N 3.07Å; Q378-D382 PolarHBondContact NE2-OD1 3.13Å; Q378-D382 PolarHBondContact NE2-OD2 3.05Å; Q378-D382 PolarHBondContact O-N 3.26Å |
| 379 | K | 98.1 | Very high | 98.2 | Very high | 155 Ų | 155 | 100.5 Ų | 100.5 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -38.2 | 176.7 | -177.4 | 178.5 | 178.7 | 179.9 | 0 | 112.7 | L375 S376 A383 | L375-K379 WeakPolarHBondContact O-CB 3.27Å; L375-K379 PolarHBondContact O-N 3.12Å; S376-K379 PolarHBondContact O-N 3.34Å; K379-A383 WeakPolarHBondContact O-CB 3.27Å; K379-A383 PolarHBondContact O-N 2.96Å |
| 380 | N | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 175.6 | -69 | -35.2 | 0 | 0 | 0 | 111.9 | S376 L377 Q378 T384 | S376-N380 VanDerWaalsContact O-CG 3.24Å; S376-N380 PolarHBondContact O-N 3.5Å; S376-N380 PolarHBondContact O-ND2 2.98Å; L377-N380 PolarHBondContact O-N 3.15Å; Q378-N380 VanDerWaalsContact C-N 3.28Å; Q378-N380 PolarHBondContact O-N 3.02Å; N380-T384 WeakPolarHBondContact O-CG2 3.3Å; N380-T384 PolarHBondContact O-N 2.85Å; N380-T384 PolarHBondContact O-OG1 3.33Å; N380-T384 VanDerWaalsContact O-OG1 3.11Å |
| 381 | L | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 172.3 | 179.6 | 61.3 | 0 | 0 | 0 | 110.7 | L377 Q378 A383 T384 V385 | L377-L381 WeakPolarHBondContact O-CB 3.36Å; L377-L381 PolarHBondContact O-N 2.8Å; Q378-L381 CarbonylContact O-C 3.56Å; Q378-L381 WeakPolarHBondContact O-CA 3.16Å; Q378-L381 WeakPolarHBondContact O-CB 3.15Å; Q378-L381 PolarHBondContact O-N 2.92Å; Q378-L381 VanDerWaalsContact O-N 3.07Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 3.31Å; L381-T384 PolarHBondContact O-N 3.1Å; L381-T384 VanDerWaalsContact O-N 3.1Å; L381-T384 PolarHBondContact O-OG1 2.87Å; L381-V385 HydrophobicContact CD1-CG2 4.11Å; L381-V385 HydrophobicContact CG-CG2 4.39Å; L381-V385 WeakPolarHBondContact O-CG2 3.42Å; L381-V385 PolarHBondContact O-N 3.46Å |
| 382 | D | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 99.5 Ų | 99.5 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 179.4 | -61.3 | -30.6 | 0 | 0 | 0 | 111.9 | Q378 T386 | Q378-D382 PolarHBondContact NE2-OD1 3.13Å; Q378-D382 PolarHBondContact NE2-OD2 3.05Å; Q378-D382 PolarHBondContact O-N 3.26Å; D382-T386 WeakPolarHBondContact O-CB 3.32Å; D382-T386 PolarHBondContact O-N 2.9Å; D382-T386 PolarHBondContact O-OG1 2.8Å |
| 383 | A | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K379 L381 T386 A387 | K379-A383 WeakPolarHBondContact O-CB 3.27Å; K379-A383 PolarHBondContact O-N 2.96Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 3.31Å; A383-T386 PolarHBondContact O-N 3.34Å; A383-A387 WeakPolarHBondContact O-CB 3.29Å; A383-A387 PolarHBondContact O-N 2.84Å |
| 384 | T | 97.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -35.2 | 177.4 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | N380 L381 A387 L388 | N380-T384 WeakPolarHBondContact O-CG2 3.3Å; N380-T384 PolarHBondContact O-N 2.85Å; N380-T384 PolarHBondContact O-OG1 3.33Å; N380-T384 VanDerWaalsContact O-OG1 3.11Å; L381-T384 PolarHBondContact O-N 3.1Å; L381-T384 VanDerWaalsContact O-N 3.1Å; L381-T384 PolarHBondContact O-OG1 2.87Å; T384-A387 PolarHBondContact O-N 3.23Å; T384-L388 VanDerWaalsContact O-CB 3.26Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 3.49Å |
| 385 | V | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.2 | 170.1 | 0 | 0 | 0 | 0 | 111 | L381 L388 K389 | L381-V385 HydrophobicContact CD1-CG2 4.11Å; L381-V385 HydrophobicContact CG-CG2 4.39Å; L381-V385 WeakPolarHBondContact O-CG2 3.42Å; L381-V385 PolarHBondContact O-N 3.46Å; V385-L388 PolarHBondContact O-N 3.13Å; V385-K389 WeakPolarHBondContact O-CB 3.33Å; V385-K389 PolarHBondContact O-N 2.68Å |
| 386 | T | 98 | Very high | 98.1 | Very high | 79 Ų | 79 | 93 Ų | 93 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 111 | D382 A383 L388 K389 E390 | D382-T386 WeakPolarHBondContact O-CB 3.32Å; D382-T386 PolarHBondContact O-N 2.9Å; D382-T386 PolarHBondContact O-OG1 2.8Å; A383-T386 PolarHBondContact O-N 3.34Å; T386-L388 VanDerWaalsContact C-N 3.34Å; T386-L388 PolarHBondContact O-N 2.95Å; T386-K389 WeakPolarHBondContact O-CB 3.24Å; T386-K389 PolarHBondContact O-N 2.95Å; T386-E390 PolarHBondContact O-N 3.05Å |
| 387 | A | 98.2 | Very high | 98 | Very high | 49 Ų | 49 | 97 Ų | 97 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A383 T384 E390 Q391 | A383-A387 WeakPolarHBondContact O-CB 3.29Å; A383-A387 PolarHBondContact O-N 2.84Å; T384-A387 PolarHBondContact O-N 3.23Å; A387-E390 PolarHBondContact O-N 3.13Å; A387-Q391 WeakPolarHBondContact O-CG 3.37Å; A387-Q391 PolarHBondContact O-N 3.04Å; A387-Q391 VanDerWaalsContact O-N 3.08Å |
| 388 | L | 97.9 | Very high | 98 | Very high | 125 Ų | 125 | 96.5 Ų | 96.5 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 174.3 | 178.5 | 65.6 | 0 | 0 | 0 | 111.3 | T384 V385 T386 Q391 E392 | T384-L388 VanDerWaalsContact O-CB 3.26Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 3.49Å; V385-L388 PolarHBondContact O-N 3.13Å; T386-L388 VanDerWaalsContact C-N 3.34Å; T386-L388 PolarHBondContact O-N 2.95Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 3.48Å; L388-E392 PolarHBondContact O-N 2.93Å |
| 389 | K | 98.2 | Very high | 98 | Very high | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 176.4 | -174.3 | 176.5 | 179.9 | 178.6 | 0 | 112.2 | V385 T386 Q391 E392 D393 | V385-K389 WeakPolarHBondContact O-CB 3.33Å; V385-K389 PolarHBondContact O-N 2.68Å; T386-K389 WeakPolarHBondContact O-CB 3.24Å; T386-K389 PolarHBondContact O-N 2.95Å; K389-Q391 VanDerWaalsContact C-N 3.29Å; K389-Q391 PolarHBondContact O-N 3.49Å; K389-E392 PolarHBondContact O-N 2.93Å; K389-D393 WeakPolarHBondContact O-CB 3.47Å; K389-D393 PolarHBondContact O-N 3.32Å |
| 390 | E | 97.8 | Very high | 98 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 173 | -72.3 | 178.2 | -178.6 | 0 | 0 | 112.1 | T386 A387 I394 | T386-E390 PolarHBondContact O-N 3.05Å; A387-E390 PolarHBondContact O-N 3.13Å; E390-I394 WeakPolarHBondContact O-CD1 3.33Å; E390-I394 VanDerWaalsContact O-CG1 3.22Å; E390-I394 WeakPolarHBondContact O-CG1 3.38Å; E390-I394 PolarHBondContact O-N 3.36Å |
| 391 | Q | 97.9 | Very high | 98 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 173.7 | -67.9 | -63.8 | -28.2 | 0 | 0 | 112.5 | A387 L388 K389 D393 I394 C395 | A387-Q391 WeakPolarHBondContact O-CG 3.37Å; A387-Q391 PolarHBondContact O-N 3.04Å; A387-Q391 VanDerWaalsContact O-N 3.08Å; L388-Q391 WeakPolarHBondContact O-CB 3.45Å; L388-Q391 PolarHBondContact O-N 3.48Å; K389-Q391 VanDerWaalsContact C-N 3.29Å; K389-Q391 PolarHBondContact O-N 3.49Å; Q391-D393 VanDerWaalsContact C-N 3.33Å; Q391-D393 PolarHBondContact O-N 3.41Å; Q391-I394 PolarHBondContact O-N 2.91Å; Q391-C395 WeakPolarHBondContact O-CB 3.43Å; Q391-C395 PolarHBondContact O-N 3.45Å; Q391-C395 PolarHBondContact O-SG 2.99Å; Q391-C395 VanDerWaalsContact O-SG 3.4Å |
| 392 | E | 98.2 | Very high | 98 | Very high | 137 Ų | 137 | 94.9 Ų | 94.9 | 64% | 0.64 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 173.5 | -175.4 | 174.4 | -162.4 | 0 | 0 | 111.3 | L388 K389 I394 C395 S396 | L388-E392 PolarHBondContact O-N 2.93Å; K389-E392 PolarHBondContact O-N 2.93Å; E392-I394 PolarHBondContact O-N 3.35Å; E392-C395 PolarHBondContact O-N 2.97Å; E392-S396 WeakPolarHBondContact O-CB 3.49Å; E392-S396 PolarHBondContact O-N 3.04Å |
| 393 | D | 98.1 | Very high | 98 | Very high | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 174.6 | -88.1 | -22.2 | 0 | 0 | 0 | 112.5 | K389 Q391 R397 | K389-D393 WeakPolarHBondContact O-CB 3.47Å; K389-D393 PolarHBondContact O-N 3.32Å; Q391-D393 VanDerWaalsContact C-N 3.33Å; Q391-D393 PolarHBondContact O-N 3.41Å; D393-R397 WeakPolarHBondContact O-CG 3.48Å; D393-R397 PolarHBondContact O-N 3.39Å; D393-R397 PolarHBondContact O-NH1 2.86Å |
| 394 | I | 97.9 | Very high | 98 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 171.9 | -71 | 163 | 0 | 0 | 0 | 110.6 | E390 Q391 E392 S396 R397 L398 | E390-I394 WeakPolarHBondContact O-CD1 3.33Å; E390-I394 VanDerWaalsContact O-CG1 3.22Å; E390-I394 WeakPolarHBondContact O-CG1 3.38Å; E390-I394 PolarHBondContact O-N 3.36Å; Q391-I394 PolarHBondContact O-N 2.91Å; E392-I394 PolarHBondContact O-N 3.35Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.27Å; I394-R397 VanDerWaalsContact CG1-NH2 3.27Å; I394-R397 PolarHBondContact O-N 2.78Å; I394-L398 WeakPolarHBondContact O-CB 3.48Å; I394-L398 PolarHBondContact O-N 3.44Å |
| 395 | C | 97.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 52% | 0.52 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178.7 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | Q391 E392 L398 K399 | Q391-C395 WeakPolarHBondContact O-CB 3.43Å; Q391-C395 PolarHBondContact O-N 3.45Å; Q391-C395 PolarHBondContact O-SG 2.99Å; Q391-C395 VanDerWaalsContact O-SG 3.4Å; E392-C395 PolarHBondContact O-N 2.97Å; C395-L398 PolarHBondContact O-N 2.91Å; C395-K399 WeakPolarHBondContact O-CB 3.27Å; C395-K399 PolarHBondContact O-N 3.19Å |
| 396 | S | 97.9 | Very high | 97.9 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | E392 I394 L398 K399 D400 | E392-S396 WeakPolarHBondContact O-CB 3.49Å; E392-S396 PolarHBondContact O-N 3.04Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.27Å; S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 2.96Å; S396-K399 WeakPolarHBondContact O-CB 3.3Å; S396-K399 PolarHBondContact O-N 3.2Å; S396-D400 PolarHBondContact O-N 3.47Å |
| 397 | R | 98.2 | Very high | 97.9 | Very high | 149 Ų | 149 | 100.2 Ų | 100.2 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.6 | -41.6 | 174.7 | -73 | -172.7 | -63.2 | -92.3 | 4.1 | 112.7 | D393 I394 D400 H401 | D393-R397 WeakPolarHBondContact O-CG 3.48Å; D393-R397 PolarHBondContact O-N 3.39Å; D393-R397 PolarHBondContact O-NH1 2.86Å; I394-R397 VanDerWaalsContact CG1-NH2 3.27Å; I394-R397 PolarHBondContact O-N 2.78Å; R397-D400 PolarHBondContact O-N 2.96Å; R397-H401 WeakPolarHBondContact O-CB 2.85Å; R397-H401 PolarHBondContact O-N 2.82Å |
| 398 | L | 97.9 | Very high | 97.8 | Very high | 108 Ų | 108 | 101.4 Ų | 101.4 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 177.9 | -174.6 | 64.5 | 0 | 0 | 0 | 111.5 | I394 C395 S396 D400 H401 V402 | I394-L398 WeakPolarHBondContact O-CB 3.48Å; I394-L398 PolarHBondContact O-N 3.44Å; C395-L398 PolarHBondContact O-N 2.91Å; S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 2.96Å; L398-D400 VanDerWaalsContact C-N 3.34Å; L398-D400 PolarHBondContact O-N 2.86Å; L398-H401 PolarHBondContact O-N 3Å; L398-V402 WeakPolarHBondContact O-CG2 3.48Å; L398-V402 PolarHBondContact O-N 3.32Å |
| 399 | K | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 100.9 Ų | 100.9 | 61% | 0.609 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 176.5 | -173.8 | 178.5 | -172.8 | 175.6 | 0 | 111.8 | C395 S396 V402 K403 | C395-K399 WeakPolarHBondContact O-CB 3.27Å; C395-K399 PolarHBondContact O-N 3.19Å; S396-K399 WeakPolarHBondContact O-CB 3.3Å; S396-K399 PolarHBondContact O-N 3.2Å; K399-V402 PolarHBondContact O-N 3.43Å; K399-K403 WeakPolarHBondContact O-CG 3.44Å; K399-K403 PolarHBondContact O-N 3.46Å; K399-K403 VanDerWaalsContact O-N 3.08Å |
| 400 | D | 97.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.6 | -32.4 | 175.9 | -76.2 | -17.7 | 0 | 0 | 0 | 113.2 | S396 R397 L398 K403 Q404 | S396-D400 PolarHBondContact O-N 3.47Å; R397-D400 PolarHBondContact O-N 2.96Å; L398-D400 VanDerWaalsContact C-N 3.34Å; L398-D400 PolarHBondContact O-N 2.86Å; D400-K403 PolarHBondContact O-N 2.9Å; D400-K403 WeakPolarHBondContact OD1-CD 3.22Å; D400-K403 WeakPolarHBondContact OD1-CE 3.45Å; D400-K403 IonicContact OD1-NZ 2.86Å; D400-K403 PolarHBondContact OD1-NZ 3.31Å; D400-Q404 PolarHBondContact O-N 3.31Å |
| 401 | H | 97.9 | Very high | 97.7 | Very high | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -43 | 169.7 | -173.5 | 69 | 0 | 0 | 0 | 111.8 | R397 L398 Q404 L405 | R397-H401 WeakPolarHBondContact O-CB 2.85Å; R397-H401 PolarHBondContact O-N 2.82Å; L398-H401 PolarHBondContact O-N 3Å; H401-Q404 PolarHBondContact O-N 2.97Å; H401-Q404 VanDerWaalsContact O-N 3.16Å; H401-L405 WeakPolarHBondContact O-CG 3.42Å; H401-L405 PolarHBondContact O-N 2.96Å |
| 402 | V | 97.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 95.7 Ų | 95.7 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L398 K399 Q404 L405 E406 | L398-V402 WeakPolarHBondContact O-CG2 3.48Å; L398-V402 PolarHBondContact O-N 3.32Å; K399-V402 PolarHBondContact O-N 3.43Å; V402-Q404 PolarHBondContact O-N 3.38Å; V402-Q404 VanDerWaalsContact O-N 3.16Å; V402-L405 PolarHBondContact O-N 3.29Å; V402-E406 HydrophobicContact CG1-CG 4.36Å; V402-E406 WeakPolarHBondContact O-CG 3.41Å; V402-E406 PolarHBondContact O-N 3.25Å |
| 403 | K | 98.1 | Very high | 97.6 | Very high | 74 Ų | 74 | 94.4 Ų | 94.4 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.6 | -35.7 | 174.4 | -68.6 | 172.1 | -162.6 | 161.5 | 0 | 112.8 | K399 D400 E406 R407 | K399-K403 WeakPolarHBondContact O-CG 3.44Å; K399-K403 PolarHBondContact O-N 3.46Å; K399-K403 VanDerWaalsContact O-N 3.08Å; D400-K403 PolarHBondContact O-N 2.9Å; D400-K403 WeakPolarHBondContact OD1-CD 3.22Å; D400-K403 WeakPolarHBondContact OD1-CE 3.45Å; D400-K403 IonicContact OD1-NZ 2.86Å; D400-K403 PolarHBondContact OD1-NZ 3.31Å; K403-E406 WeakPolarHBondContact CA-OE2 3.43Å; K403-R407 WeakPolarHBondContact O-CG 3.18Å; K403-R407 PolarHBondContact O-N 3.47Å; K403-R407 VanDerWaalsContact O-N 3.14Å |
| 404 | Q | 97.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 96.6 Ų | 96.6 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.5 | -37.9 | 178.2 | -168.3 | 56.3 | 40.1 | 0 | 0 | 112.3 | D400 H401 V402 E406 N408 | D400-Q404 PolarHBondContact O-N 3.31Å; H401-Q404 PolarHBondContact O-N 2.97Å; H401-Q404 VanDerWaalsContact O-N 3.16Å; V402-Q404 PolarHBondContact O-N 3.38Å; V402-Q404 VanDerWaalsContact O-N 3.16Å; Q404-E406 VanDerWaalsContact C-N 3.34Å; Q404-N408 PolarHBondContact NE2-OD1 3.34Å; Q404-N408 WeakPolarHBondContact O-CB 3.44Å; Q404-N408 PolarHBondContact O-N 3.44Å; Q404-N408 PolarHBondContact O-ND2 2.96Å; Q404-N408 PolarHBondContact O-OD1 2.96Å |
| 405 | L | 97 | Very high | 97.5 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 172.1 | -69.8 | 177.6 | 0 | 0 | 0 | 111.9 | H401 V402 N408 Q409 | H401-L405 WeakPolarHBondContact O-CG 3.42Å; H401-L405 PolarHBondContact O-N 2.96Å; V402-L405 PolarHBondContact O-N 3.29Å; L405-N408 PolarHBondContact O-N 3.36Å; L405-Q409 WeakPolarHBondContact O-CB 3.44Å; L405-Q409 PolarHBondContact O-N 3.46Å |
| 406 | E | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -54.1 | 174.4 | -71.4 | 170.2 | 154.4 | 0 | 0 | 110.9 | V402 K403 Q404 N408 Q409 E410 | V402-E406 HydrophobicContact CG1-CG 4.36Å; V402-E406 WeakPolarHBondContact O-CG 3.41Å; V402-E406 PolarHBondContact O-N 3.25Å; K403-E406 WeakPolarHBondContact CA-OE2 3.43Å; Q404-E406 VanDerWaalsContact C-N 3.34Å; E406-N408 VanDerWaalsContact C-N 3.33Å; E406-N408 PolarHBondContact O-N 3.15Å; E406-Q409 WeakPolarHBondContact O-CB 3.46Å; E406-Q409 PolarHBondContact O-N 3.3Å; E406-E410 WeakPolarHBondContact O-CG 3.24Å; E406-E410 PolarHBondContact O-N 3.37Å |
| 407 | R | 97.5 | Very high | 97.4 | Very high | 135 Ų | 135 | 101.4 Ų | 101.4 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 175.8 | -69.5 | 177.8 | -164.8 | 119.2 | 1.2 | 113 | K403 Q409 E410 A411 | K403-R407 WeakPolarHBondContact O-CG 3.18Å; K403-R407 PolarHBondContact O-N 3.47Å; K403-R407 VanDerWaalsContact O-N 3.14Å; R407-Q409 VanDerWaalsContact C-N 3.32Å; R407-E410 PolarHBondContact O-N 2.8Å; R407-A411 WeakPolarHBondContact O-CB 3.39Å; R407-A411 PolarHBondContact O-N 3.05Å |
| 408 | N | 97 | Very high | 97.4 | Very high | 75 Ų | 75 | 99.2 Ų | 99.2 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 175.6 | -69.9 | -4.3 | 0 | 0 | 0 | 110.9 | Q404 L405 E406 A411 I412 | Q404-N408 PolarHBondContact NE2-OD1 3.34Å; Q404-N408 WeakPolarHBondContact O-CB 3.44Å; Q404-N408 PolarHBondContact O-N 3.44Å; Q404-N408 PolarHBondContact O-ND2 2.96Å; Q404-N408 PolarHBondContact O-OD1 2.96Å; L405-N408 PolarHBondContact O-N 3.36Å; E406-N408 VanDerWaalsContact C-N 3.33Å; E406-N408 PolarHBondContact O-N 3.15Å; N408-A411 PolarHBondContact O-N 2.96Å; N408-I412 WeakPolarHBondContact O-CD1 3.26Å; N408-I412 VanDerWaalsContact O-CG1 3.26Å; N408-I412 WeakPolarHBondContact O-CG1 3.25Å; N408-I412 PolarHBondContact O-N 2.9Å |
| 409 | Q | 96.8 | Very high | 97.3 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 176.3 | -161.4 | -163.3 | 66.1 | 0 | 0 | 111.6 | L405 E406 R407 I412 K413 | L405-Q409 WeakPolarHBondContact O-CB 3.44Å; L405-Q409 PolarHBondContact O-N 3.46Å; E406-Q409 WeakPolarHBondContact O-CB 3.46Å; E406-Q409 PolarHBondContact O-N 3.3Å; R407-Q409 VanDerWaalsContact C-N 3.32Å; Q409-I412 PolarHBondContact O-N 2.77Å; Q409-K413 WeakPolarHBondContact O-CB 3.38Å; Q409-K413 VanDerWaalsContact O-CG 3.24Å; Q409-K413 WeakPolarHBondContact O-CG 3.12Å; Q409-K413 PolarHBondContact O-N 2.8Å |
| 410 | E | 97.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 95.6 Ų | 95.6 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 172.7 | -71.3 | 177.3 | 161.2 | 0 | 0 | 112 | E406 R407 I412 K413 L414 | E406-E410 WeakPolarHBondContact O-CG 3.24Å; E406-E410 PolarHBondContact O-N 3.37Å; R407-E410 PolarHBondContact O-N 2.8Å; E410-I412 VanDerWaalsContact C-N 3.35Å; E410-I412 PolarHBondContact O-N 3.12Å; E410-K413 WeakPolarHBondContact O-CB 3.19Å; E410-K413 PolarHBondContact O-N 2.91Å; E410-K413 VanDerWaalsContact O-N 3.16Å; E410-L414 WeakPolarHBondContact O-CG 3.25Å; E410-L414 PolarHBondContact O-N 2.95Å |
| 411 | A | 96.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R407 N408 K413 L414 E415 | R407-A411 WeakPolarHBondContact O-CB 3.39Å; R407-A411 PolarHBondContact O-N 3.05Å; N408-A411 PolarHBondContact O-N 2.96Å; A411-K413 PolarHBondContact O-N 2.86Å; A411-L414 PolarHBondContact O-N 3.15Å; A411-E415 WeakPolarHBondContact O-CB 3.37Å; A411-E415 PolarHBondContact O-N 3.25Å |
| 412 | I | 96.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 95.5 Ų | 95.5 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.6 | -33.9 | 176.7 | -68 | 164.5 | 0 | 0 | 0 | 111.9 | N408 Q409 E410 K416 | N408-I412 WeakPolarHBondContact O-CD1 3.26Å; N408-I412 VanDerWaalsContact O-CG1 3.26Å; N408-I412 WeakPolarHBondContact O-CG1 3.25Å; N408-I412 PolarHBondContact O-N 2.9Å; Q409-I412 PolarHBondContact O-N 2.77Å; E410-I412 VanDerWaalsContact C-N 3.35Å; E410-I412 PolarHBondContact O-N 3.12Å; I412-K416 HydrophobicContact CG2-CD 4.13Å; I412-K416 WeakPolarHBondContact O-CB 3.32Å; I412-K416 VanDerWaalsContact O-CG 3.24Å; I412-K416 WeakPolarHBondContact O-CG 3.12Å; I412-K416 PolarHBondContact O-N 2.57Å |
| 413 | K | 97.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 97.8 Ų | 97.8 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 172 | -74.8 | 164 | -173.7 | 163.9 | 0 | 110.5 | Q409 E410 A411 K416 T417 | Q409-K413 WeakPolarHBondContact O-CB 3.38Å; Q409-K413 VanDerWaalsContact O-CG 3.24Å; Q409-K413 WeakPolarHBondContact O-CG 3.12Å; Q409-K413 PolarHBondContact O-N 2.8Å; E410-K413 WeakPolarHBondContact O-CB 3.19Å; E410-K413 PolarHBondContact O-N 2.91Å; E410-K413 VanDerWaalsContact O-N 3.16Å; A411-K413 PolarHBondContact O-N 2.86Å; K413-K416 PolarHBondContact O-N 3.12Å; K413-T417 PolarHBondContact O-N 3.18Å; K413-T417 PolarHBondContact O-OG1 3.07Å |
| 414 | L | 97.4 | Very high | 97 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 65% | 0.649 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 178.4 | -69.8 | 171.3 | 0 | 0 | 0 | 111.9 | E410 A411 K416 T417 E418 | E410-L414 WeakPolarHBondContact O-CG 3.25Å; E410-L414 PolarHBondContact O-N 2.95Å; A411-L414 PolarHBondContact O-N 3.15Å; L414-K416 PolarHBondContact O-N 3.44Å; L414-T417 PolarHBondContact O-N 2.85Å; L414-E418 PolarHBondContact O-N 3.33Å |
| 415 | E | 96.6 | Very high | 96.9 | Very high | 109 Ų | 109 | 100.3 Ų | 100.3 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.9 | -174.3 | -169.8 | -174.7 | 0 | 0 | 111.3 | A411 T417 E418 I419 | A411-E415 WeakPolarHBondContact O-CB 3.37Å; A411-E415 PolarHBondContact O-N 3.25Å; E415-T417 VanDerWaalsContact C-N 3.34Å; E415-T417 PolarHBondContact O-N 3.44Å; E415-E418 WeakPolarHBondContact O-CB 3.4Å; E415-E418 PolarHBondContact O-N 2.65Å; E415-E418 VanDerWaalsContact O-N 3.12Å; E415-I419 HydrophobicContact CG-CD1 3.99Å; E415-I419 WeakPolarHBondContact O-CG1 3.46Å; E415-I419 PolarHBondContact O-N 2.97Å |
| 416 | K | 97.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 99.3 Ų | 99.3 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 175.8 | -75.9 | 174.1 | -179.3 | -179.5 | 0 | 112 | I412 K413 L414 E418 I419 I420 | I412-K416 HydrophobicContact CG2-CD 4.13Å; I412-K416 WeakPolarHBondContact O-CB 3.32Å; I412-K416 VanDerWaalsContact O-CG 3.24Å; I412-K416 WeakPolarHBondContact O-CG 3.12Å; I412-K416 PolarHBondContact O-N 2.57Å; K413-K416 PolarHBondContact O-N 3.12Å; L414-K416 PolarHBondContact O-N 3.44Å; K416-E418 VanDerWaalsContact C-N 3.33Å; K416-I419 PolarHBondContact O-N 3.46Å; K416-I420 WeakPolarHBondContact O-CB 3.47Å; K416-I420 WeakPolarHBondContact O-CD1 3.38Å; K416-I420 WeakPolarHBondContact O-CG1 3.47Å; K416-I420 PolarHBondContact O-N 3.17Å |
| 417 | T | 97.2 | Very high | 96.8 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 174.1 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | K413 L414 E415 I420 N421 | K413-T417 PolarHBondContact O-N 3.18Å; K413-T417 PolarHBondContact O-OG1 3.07Å; L414-T417 PolarHBondContact O-N 2.85Å; E415-T417 VanDerWaalsContact C-N 3.34Å; E415-T417 PolarHBondContact O-N 3.44Å; T417-I420 PolarHBondContact O-N 2.79Å; T417-N421 WeakPolarHBondContact O-CB 3.45Å; T417-N421 PolarHBondContact O-N 2.76Å; T417-N421 PolarHBondContact O-ND2 3.13Å |
| 418 | E | 96.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 96.4 Ų | 96.4 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 175.4 | -154.5 | -150.8 | 168.9 | 0 | 0 | 112 | L414 E415 K416 N421 K422 | L414-E418 PolarHBondContact O-N 3.33Å; E415-E418 WeakPolarHBondContact O-CB 3.4Å; E415-E418 PolarHBondContact O-N 2.65Å; E415-E418 VanDerWaalsContact O-N 3.12Å; K416-E418 VanDerWaalsContact C-N 3.33Å; E418-N421 PolarHBondContact O-N 2.69Å; E418-K422 VanDerWaalsContact CD-CE 3.41Å; E418-K422 WeakPolarHBondContact O-CB 3.25Å; E418-K422 VanDerWaalsContact O-CG 3.28Å; E418-K422 WeakPolarHBondContact O-CG 3.22Å; E418-K422 PolarHBondContact O-N 3.05Å; E418-K422 WeakPolarHBondContact OE1-CE 3.39Å; E418-K422 IonicContact OE1-NZ 3.45Å; E418-K422 PolarHBondContact OE1-NZ 3.45Å; E418-K422 IonicContact OE2-NZ 3.06Å; E418-K422 PolarHBondContact OE2-NZ 3.33Å |
| 419 | I | 96.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 98.1 Ų | 98.1 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 173.9 | -68.5 | 167.1 | 0 | 0 | 0 | 110.5 | E415 K416 N421 K422 L423 | E415-I419 HydrophobicContact CG-CD1 3.99Å; E415-I419 WeakPolarHBondContact O-CG1 3.46Å; E415-I419 PolarHBondContact O-N 2.97Å; K416-I419 PolarHBondContact O-N 3.46Å; I419-N421 PolarHBondContact O-N 3.33Å; I419-K422 PolarHBondContact O-N 3.17Å; I419-L423 HydrophobicContact CG2-CD1 3.89Å; I419-L423 HydrophobicContact CG2-CG 4.39Å; I419-L423 WeakPolarHBondContact O-CB 3.46Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.46Å |
| 420 | I | 96.5 | Very high | 96.5 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 173.5 | -71.3 | 163.6 | 0 | 0 | 0 | 109.9 | K416 T417 K422 L423 T424 | K416-I420 WeakPolarHBondContact O-CB 3.47Å; K416-I420 WeakPolarHBondContact O-CD1 3.38Å; K416-I420 WeakPolarHBondContact O-CG1 3.47Å; K416-I420 PolarHBondContact O-N 3.17Å; T417-I420 PolarHBondContact O-N 2.79Å; I420-K422 VanDerWaalsContact C-N 3.31Å; I420-K422 PolarHBondContact O-N 2.96Å; I420-L423 PolarHBondContact O-N 2.99Å; I420-L423 VanDerWaalsContact O-N 3.17Å; I420-T424 WeakPolarHBondContact O-CB 3.47Å; I420-T424 PolarHBondContact O-N 3.37Å; I420-T424 PolarHBondContact O-OG1 3.06Å; I420-T424 VanDerWaalsContact O-OG1 3.11Å |
| 421 | N | 96.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 178.6 | -72.4 | -24.2 | 0 | 0 | 0 | 113.3 | T417 E418 I419 R425 | T417-N421 WeakPolarHBondContact O-CB 3.45Å; T417-N421 PolarHBondContact O-N 2.76Å; T417-N421 PolarHBondContact O-ND2 3.13Å; E418-N421 PolarHBondContact O-N 2.69Å; I419-N421 PolarHBondContact O-N 3.33Å; N421-R425 WeakPolarHBondContact O-CB 3.43Å; N421-R425 PolarHBondContact O-N 3.47Å; N421-R425 VanDerWaalsContact O-N 3.13Å |
| 422 | K | 97.4 | Very high | 96.3 | Very high | 102 Ų | 102 | 99 Ų | 99 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 172.4 | -74.7 | 163.5 | 180 | 164.1 | 0 | 111.3 | E418 I419 I420 R425 S426 | E418-K422 VanDerWaalsContact CD-CE 3.41Å; E418-K422 WeakPolarHBondContact O-CB 3.25Å; E418-K422 VanDerWaalsContact O-CG 3.28Å; E418-K422 WeakPolarHBondContact O-CG 3.22Å; E418-K422 PolarHBondContact O-N 3.05Å; E418-K422 WeakPolarHBondContact OE1-CE 3.39Å; E418-K422 IonicContact OE1-NZ 3.45Å; E418-K422 PolarHBondContact OE1-NZ 3.45Å; E418-K422 IonicContact OE2-NZ 3.06Å; E418-K422 PolarHBondContact OE2-NZ 3.33Å; I419-K422 PolarHBondContact O-N 3.17Å; I420-K422 VanDerWaalsContact C-N 3.31Å; I420-K422 PolarHBondContact O-N 2.96Å; K422-R425 PolarHBondContact O-N 3.01Å; K422-S426 WeakPolarHBondContact O-CB 3.46Å; K422-S426 PolarHBondContact O-N 2.87Å |
| 423 | L | 96.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 100.3 Ų | 100.3 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 178.6 | -70.4 | 172.2 | 0 | 0 | 0 | 112.2 | I419 I420 R425 S426 L427 | I419-L423 HydrophobicContact CG2-CD1 3.89Å; I419-L423 HydrophobicContact CG2-CG 4.39Å; I419-L423 WeakPolarHBondContact O-CB 3.46Å; I419-L423 WeakPolarHBondContact O-CG 3.37Å; I419-L423 PolarHBondContact O-N 3.46Å; I420-L423 PolarHBondContact O-N 2.99Å; I420-L423 VanDerWaalsContact O-N 3.17Å; L423-R425 PolarHBondContact O-N 2.9Å; L423-S426 PolarHBondContact O-N 3.49Å; L423-L427 VanDerWaalsContact O-CB 3.31Å; L423-L427 WeakPolarHBondContact O-CB 3.27Å; L423-L427 PolarHBondContact O-N 3.45Å |
| 424 | T | 96.1 | Very high | 95.7 | Very high | 63 Ų | 63 | 98.3 Ų | 98.3 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | I420 S426 L427 E428 | I420-T424 WeakPolarHBondContact O-CB 3.47Å; I420-T424 PolarHBondContact O-N 3.37Å; I420-T424 PolarHBondContact O-OG1 3.06Å; I420-T424 VanDerWaalsContact O-OG1 3.11Å; T424-S426 PolarHBondContact O-N 3.23Å; T424-L427 PolarHBondContact O-N 3.46Å; T424-E428 WeakPolarHBondContact O-CB 3.44Å; T424-E428 WeakPolarHBondContact O-CG 3.37Å; T424-E428 PolarHBondContact O-N 3.21Å |
| 425 | R | 96.3 | Very high | 95.4 | Very high | 151 Ų | 151 | 94.6 Ų | 94.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 176.4 | -169.2 | -177.8 | -58.8 | 102.7 | 2.6 | 112.3 | N421 K422 L423 E428 E429 | N421-R425 WeakPolarHBondContact O-CB 3.43Å; N421-R425 PolarHBondContact O-N 3.47Å; N421-R425 VanDerWaalsContact O-N 3.13Å; K422-R425 PolarHBondContact O-N 3.01Å; L423-R425 PolarHBondContact O-N 2.9Å; R425-E428 PolarHBondContact O-N 3.37Å; R425-E429 WeakPolarHBondContact O-CB 3.42Å; R425-E429 PolarHBondContact O-N 3.48Å |
| 426 | S | 96.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 95.3 Ų | 95.3 | 51% | 0.51 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | K422 L423 T424 E429 S430 | K422-S426 WeakPolarHBondContact O-CB 3.46Å; K422-S426 PolarHBondContact O-N 2.87Å; L423-S426 PolarHBondContact O-N 3.49Å; T424-S426 PolarHBondContact O-N 3.23Å; S426-E429 PolarHBondContact O-N 2.93Å; S426-S430 WeakPolarHBondContact O-CB 3.47Å; S426-S430 PolarHBondContact O-N 3.29Å |
| 427 | L | 95.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 94.7 Ų | 94.7 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 174 | 178.7 | 61.9 | 0 | 0 | 0 | 111.6 | L423 T424 E429 S430 Q431 | L423-L427 VanDerWaalsContact O-CB 3.31Å; L423-L427 WeakPolarHBondContact O-CB 3.27Å; L423-L427 PolarHBondContact O-N 3.45Å; T424-L427 PolarHBondContact O-N 3.46Å; L427-E429 VanDerWaalsContact C-N 3.31Å; L427-E429 PolarHBondContact O-N 3.13Å; L427-S430 PolarHBondContact O-N 2.87Å; L427-Q431 HydrophobicContact CD1-CG 4.32Å; L427-Q431 VanDerWaalsContact O-CB 3.32Å; L427-Q431 WeakPolarHBondContact O-CB 3.49Å; L427-Q431 VanDerWaalsContact O-CG 3.23Å; L427-Q431 WeakPolarHBondContact O-CG 3.36Å; L427-Q431 PolarHBondContact O-N 3.09Å |
| 428 | E | 96 | Very high | 94 | Very high | 83 Ų | 83 | 97.4 Ų | 97.4 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 172.4 | -84.1 | -174.2 | -132.5 | 0 | 0 | 112 | T424 R425 Q431 K432 | T424-E428 WeakPolarHBondContact O-CB 3.44Å; T424-E428 WeakPolarHBondContact O-CG 3.37Å; T424-E428 PolarHBondContact O-N 3.21Å; R425-E428 PolarHBondContact O-N 3.37Å; E428-Q431 PolarHBondContact O-N 2.83Å; E428-K432 WeakPolarHBondContact O-CB 3.43Å; E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.5Å; E428-K432 WeakPolarHBondContact O-CG 3.42Å; E428-K432 PolarHBondContact O-N 3.34Å; E428-K432 IonicContact OE2-NZ 2.65Å; E428-K432 PolarHBondContact OE2-NZ 3.04Å |
| 429 | E | 96 | Very high | 93.4 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 179.2 | -177.9 | 164.7 | -157.1 | 0 | 0 | 111.4 | R425 S426 L427 K432 Q433 | R425-E429 WeakPolarHBondContact O-CB 3.42Å; R425-E429 PolarHBondContact O-N 3.48Å; S426-E429 PolarHBondContact O-N 2.93Å; L427-E429 VanDerWaalsContact C-N 3.31Å; L427-E429 PolarHBondContact O-N 3.13Å; E429-K432 PolarHBondContact O-N 3.12Å; E429-Q433 VanDerWaalsContact O-CG 3.29Å; E429-Q433 WeakPolarHBondContact O-CG 3.39Å; E429-Q433 PolarHBondContact O-N 3.06Å |
| 430 | S | 92.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 97.7 Ų | 97.7 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 172.6 | -178 | 0 | 0 | 0 | 0 | 112.1 | S426 L427 Q433 C434 | S426-S430 WeakPolarHBondContact O-CB 3.47Å; S426-S430 PolarHBondContact O-N 3.29Å; L427-S430 PolarHBondContact O-N 2.87Å; S430-Q433 PolarHBondContact O-N 3.22Å; S430-C434 WeakPolarHBondContact O-CB 3.46Å; S430-C434 PolarHBondContact O-N 3.37Å; S430-C434 PolarHBondContact O-SG 2.83Å; S430-C434 VanDerWaalsContact O-SG 3.38Å |
| 431 | Q | 94.3 | Very high | 91.8 | Very high | 115 Ų | 115 | 94.1 Ų | 94.1 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 173.8 | -75.7 | 175.3 | 2.2 | 0 | 0 | 112 | L427 E428 C434 A435 | L427-Q431 HydrophobicContact CD1-CG 4.32Å; L427-Q431 VanDerWaalsContact O-CB 3.32Å; L427-Q431 WeakPolarHBondContact O-CB 3.49Å; L427-Q431 VanDerWaalsContact O-CG 3.23Å; L427-Q431 WeakPolarHBondContact O-CG 3.36Å; L427-Q431 PolarHBondContact O-N 3.09Å; E428-Q431 PolarHBondContact O-N 2.83Å; Q431-C434 PolarHBondContact O-N 3.01Å; Q431-A435 VanDerWaalsContact O-CB 3.29Å; Q431-A435 WeakPolarHBondContact O-CB 3.16Å; Q431-A435 PolarHBondContact O-N 3.41Å |
| 432 | K | 94.1 | Very high | 91 | Very high | 126 Ų | 126 | 93 Ų | 93 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 174 | -72.6 | 159 | -165.6 | 163.9 | 0 | 111.4 | E428 E429 A435 H436 | E428-K432 WeakPolarHBondContact O-CB 3.43Å; E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.5Å; E428-K432 WeakPolarHBondContact O-CG 3.42Å; E428-K432 PolarHBondContact O-N 3.34Å; E428-K432 IonicContact OE2-NZ 2.65Å; E428-K432 PolarHBondContact OE2-NZ 3.04Å; E429-K432 PolarHBondContact O-N 3.12Å; K432-A435 PolarHBondContact O-N 3.29Å; K432-H436 VanDerWaalsContact O-CB 3.27Å; K432-H436 WeakPolarHBondContact O-CB 3.15Å; K432-H436 PolarHBondContact O-N 2.96Å |
| 433 | Q | 92.8 | Very high | 90 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.1 | -71.9 | 171 | 12.1 | 0 | 0 | 111.8 | E429 S430 H436 L437 | E429-Q433 VanDerWaalsContact O-CG 3.29Å; E429-Q433 WeakPolarHBondContact O-CG 3.39Å; E429-Q433 PolarHBondContact O-N 3.06Å; S430-Q433 PolarHBondContact O-N 3.22Å; Q433-H436 PolarHBondContact O-N 2.81Å; Q433-L437 WeakPolarHBondContact O-CB 3.46Å; Q433-L437 WeakPolarHBondContact O-CG 3.43Å; Q433-L437 PolarHBondContact O-N 2.71Å |
| 434 | C | 90.3 | Very high | 89.3 | Confident | 68 Ų | 68 | 94 Ų | 94 | 46% | 0.459 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.3 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | S430 Q431 L437 L438 | S430-C434 WeakPolarHBondContact O-CB 3.46Å; S430-C434 PolarHBondContact O-N 3.37Å; S430-C434 PolarHBondContact O-SG 2.83Å; S430-C434 VanDerWaalsContact O-SG 3.38Å; Q431-C434 PolarHBondContact O-N 3.01Å; C434-L437 PolarHBondContact O-N 3.07Å; C434-L438 WeakPolarHBondContact O-CG 3.39Å; C434-L438 PolarHBondContact O-N 3.03Å |
| 435 | A | 90.5 | Very high | 88.6 | Confident | 47 Ų | 47 | 97 Ų | 97 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q431 K432 L438 Q439 | Q431-A435 VanDerWaalsContact O-CB 3.29Å; Q431-A435 WeakPolarHBondContact O-CB 3.16Å; Q431-A435 PolarHBondContact O-N 3.41Å; K432-A435 PolarHBondContact O-N 3.29Å; A435-L438 PolarHBondContact O-N 2.99Å; A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 3.4Å |
| 436 | H | 90 | Very high | 87.9 | Confident | 123 Ų | 123 | 93.4 Ų | 93.4 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -48.8 | 172.8 | -176.7 | -66.5 | 0 | 0 | 0 | 111 | K432 Q433 L438 Q439 S440 | K432-H436 VanDerWaalsContact O-CB 3.27Å; K432-H436 WeakPolarHBondContact O-CB 3.15Å; K432-H436 PolarHBondContact O-N 2.96Å; Q433-H436 PolarHBondContact O-N 2.81Å; H436-L438 VanDerWaalsContact C-N 3.3Å; H436-L438 PolarHBondContact O-N 3.15Å; H436-Q439 PolarHBondContact O-N 3.37Å; H436-Q439 VanDerWaalsContact O-N 3.15Å; H436-S440 PolarHBondContact ND1-OG 3Å; H436-S440 WeakPolarHBondContact O-CB 3.47Å; H436-S440 PolarHBondContact O-N 2.87Å; H436-S440 PolarHBondContact O-OG 3.09Å |
| 437 | L | 87.6 | Confident | 87.2 | Confident | 116 Ų | 116 | 92.5 Ų | 92.5 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | 178.8 | -79.4 | 165.1 | 0 | 0 | 0 | 112.3 | Q433 C434 G441 | Q433-L437 WeakPolarHBondContact O-CB 3.46Å; Q433-L437 WeakPolarHBondContact O-CG 3.43Å; Q433-L437 PolarHBondContact O-N 2.71Å; C434-L437 PolarHBondContact O-N 3.07Å; L437-G441 WeakPolarHBondContact O-CA 3.39Å; L437-G441 PolarHBondContact O-N 3Å |
| 438 | L | 84.6 | Confident | 86.7 | Confident | 131 Ų | 131 | 93.3 Ų | 93.3 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.7 | -41.8 | 174.9 | -71.5 | 169 | 0 | 0 | 0 | 112.1 | C434 A435 H436 S442 | C434-L438 WeakPolarHBondContact O-CG 3.39Å; C434-L438 PolarHBondContact O-N 3.03Å; A435-L438 PolarHBondContact O-N 2.99Å; H436-L438 VanDerWaalsContact C-N 3.3Å; H436-L438 PolarHBondContact O-N 3.15Å; L438-S442 VanDerWaalsContact O-CB 3.29Å; L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.43Å; L438-S442 VanDerWaalsContact O-N 3.1Å; L438-S442 PolarHBondContact O-OG 3.05Å |
| 439 | Q | 84.2 | Confident | 86.4 | Confident | 140 Ų | 140 | 94.4 Ų | 94.4 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.7 | -50.4 | 176.7 | -72.8 | -178.2 | 3.2 | 0 | 0 | 112.3 | A435 H436 S442 V443 | A435-Q439 WeakPolarHBondContact O-CG 3.32Å; A435-Q439 PolarHBondContact O-N 3.4Å; H436-Q439 PolarHBondContact O-N 3.37Å; H436-Q439 VanDerWaalsContact O-N 3.15Å; Q439-S442 PolarHBondContact O-OG 3.38Å; Q439-V443 VanDerWaalsContact O-CB 3.28Å; Q439-V443 WeakPolarHBondContact O-CB 3.38Å; Q439-V443 WeakPolarHBondContact O-CG2 3.43Å; Q439-V443 PolarHBondContact O-N 3.39Å |
| 440 | S | 82.3 | Confident | 85.9 | Confident | 42 Ų | 42 | 95.1 Ų | 95.1 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | H436 Q444 | H436-S440 PolarHBondContact ND1-OG 3Å; H436-S440 WeakPolarHBondContact O-CB 3.47Å; H436-S440 PolarHBondContact O-N 2.87Å; H436-S440 PolarHBondContact O-OG 3.09Å; S440-Q444 WeakPolarHBondContact O-CB 3.33Å; S440-Q444 PolarHBondContact O-N 3.49Å |
| 441 | G | 77.6 | Confident | 85.8 | Confident | 23 Ų | 23 | 98.7 Ų | 98.7 | 24% | 0.237 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -62.1 | -54.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L437 V443 Q444 E445 | L437-G441 WeakPolarHBondContact O-CA 3.39Å; L437-G441 PolarHBondContact O-N 3Å; G441-V443 PolarHBondContact O-N 2.96Å; G441-Q444 PolarHBondContact O-N 3.06Å; G441-E445 WeakPolarHBondContact O-CB 3.41Å; G441-E445 WeakPolarHBondContact O-CG 3.37Å; G441-E445 PolarHBondContact O-N 2.73Å |
| 442 | S | 78.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 113 | L438 Q439 V446 | L438-S442 VanDerWaalsContact O-CB 3.29Å; L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.43Å; L438-S442 VanDerWaalsContact O-N 3.1Å; L438-S442 PolarHBondContact O-OG 3.05Å; Q439-S442 PolarHBondContact O-OG 3.38Å; S442-V446 VanDerWaalsContact O-CB 3.22Å; S442-V446 WeakPolarHBondContact O-CB 3.48Å; S442-V446 WeakPolarHBondContact O-CG2 3.3Å; S442-V446 PolarHBondContact O-N 3.38Å |
| 443 | V | 78.2 | Confident | 85.3 | Confident | 100 Ų | 100 | 96.7 Ų | 96.7 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 175 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | Q439 G441 A447 | Q439-V443 VanDerWaalsContact O-CB 3.28Å; Q439-V443 WeakPolarHBondContact O-CB 3.38Å; Q439-V443 WeakPolarHBondContact O-CG2 3.43Å; Q439-V443 PolarHBondContact O-N 3.39Å; G441-V443 PolarHBondContact O-N 2.96Å; V443-A447 VanDerWaalsContact O-CB 3.26Å; V443-A447 WeakPolarHBondContact O-CB 3.42Å; V443-A447 PolarHBondContact O-N 2.84Å |
| 444 | Q | 80.5 | Confident | 85.2 | Confident | 136 Ų | 136 | 96 Ų | 96 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.3 | -42 | 178.9 | -175.9 | 171.3 | -7.2 | 0 | 0 | 112.1 | S440 G441 A447 Q448 | S440-Q444 WeakPolarHBondContact O-CB 3.33Å; S440-Q444 PolarHBondContact O-N 3.49Å; G441-Q444 PolarHBondContact O-N 3.06Å; Q444-A447 PolarHBondContact O-N 3.48Å; Q444-Q448 WeakPolarHBondContact O-CB 3.4Å; Q444-Q448 PolarHBondContact O-N 3.02Å |
| 445 | E | 81.2 | Confident | 85.1 | Confident | 126 Ų | 126 | 98.4 Ų | 98.4 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 172.8 | -73.9 | 176.8 | -177 | 0 | 0 | 111.2 | G441 A447 Q448 L449 | G441-E445 WeakPolarHBondContact O-CB 3.41Å; G441-E445 WeakPolarHBondContact O-CG 3.37Å; G441-E445 PolarHBondContact O-N 2.73Å; E445-A447 PolarHBondContact O-N 3.4Å; E445-Q448 PolarHBondContact O-N 3.18Å; E445-L449 VanDerWaalsContact O-CB 3.32Å; E445-L449 WeakPolarHBondContact O-CB 3.49Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.19Å |
| 446 | V | 82.1 | Confident | 85 | Confident | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 175.4 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | S442 L449 Q450 | S442-V446 VanDerWaalsContact O-CB 3.22Å; S442-V446 WeakPolarHBondContact O-CB 3.48Å; S442-V446 WeakPolarHBondContact O-CG2 3.3Å; S442-V446 PolarHBondContact O-N 3.38Å; V446-L449 PolarHBondContact O-N 3Å; V446-Q450 HydrophobicContact CG1-CG 4.37Å; V446-Q450 VanDerWaalsContact O-CB 3.31Å; V446-Q450 WeakPolarHBondContact O-CB 3.49Å; V446-Q450 VanDerWaalsContact O-CG 3.23Å; V446-Q450 WeakPolarHBondContact O-CG 3.38Å; V446-Q450 PolarHBondContact O-N 2.95Å |
| 447 | A | 81.8 | Confident | 84.9 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V443 Q444 E445 Q450 F451 | V443-A447 VanDerWaalsContact O-CB 3.26Å; V443-A447 WeakPolarHBondContact O-CB 3.42Å; V443-A447 PolarHBondContact O-N 2.84Å; Q444-A447 PolarHBondContact O-N 3.48Å; E445-A447 PolarHBondContact O-N 3.4Å; A447-Q450 PolarHBondContact O-N 2.97Å; A447-F451 WeakPolarHBondContact O-CB 3.29Å; A447-F451 PolarHBondContact O-N 3.35Å |
| 448 | Q | 86.3 | Confident | 85.1 | Confident | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 177.3 | -171.4 | 172.1 | 9.3 | 0 | 0 | 111.8 | Q444 E445 F451 Q452 | Q444-Q448 WeakPolarHBondContact O-CB 3.4Å; Q444-Q448 PolarHBondContact O-N 3.02Å; E445-Q448 PolarHBondContact O-N 3.18Å; Q448-F451 PolarHBondContact O-N 3.05Å; Q448-Q452 WeakPolarHBondContact O-CG 3.32Å; Q448-Q452 PolarHBondContact O-N 3.39Å |
| 449 | L | 87.9 | Confident | 85.2 | Confident | 106 Ų | 106 | 95.3 Ų | 95.3 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 173.7 | -72.5 | 170.5 | 0 | 0 | 0 | 111.8 | E445 V446 F451 Q452 L453 | E445-L449 VanDerWaalsContact O-CB 3.32Å; E445-L449 WeakPolarHBondContact O-CB 3.49Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.19Å; V446-L449 PolarHBondContact O-N 3Å; L449-F451 VanDerWaalsContact C-N 3.35Å; L449-Q452 PolarHBondContact O-N 3.02Å; L449-L453 WeakPolarHBondContact O-CB 3.44Å; L449-L453 PolarHBondContact O-N 2.86Å |
| 450 | Q | 87.3 | Confident | 85.4 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 172.3 | -78.2 | 178.4 | 13.4 | 0 | 0 | 111.8 | V446 A447 L453 Q454 | V446-Q450 HydrophobicContact CG1-CG 4.37Å; V446-Q450 VanDerWaalsContact O-CB 3.31Å; V446-Q450 WeakPolarHBondContact O-CB 3.49Å; V446-Q450 VanDerWaalsContact O-CG 3.23Å; V446-Q450 WeakPolarHBondContact O-CG 3.38Å; V446-Q450 PolarHBondContact O-N 2.95Å; A447-Q450 PolarHBondContact O-N 2.97Å; Q450-L453 PolarHBondContact O-N 3.4Å; Q450-Q454 WeakPolarHBondContact O-CB 3.2Å; Q450-Q454 PolarHBondContact O-N 3.15Å |
| 451 | F | 89.2 | Confident | 85.8 | Confident | 132 Ų | 132 | 95.4 Ų | 95.4 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 175.2 | -177.3 | -93 | 0 | 0 | 0 | 111.9 | A447 Q448 L449 L453 Q454 Q455 | A447-F451 WeakPolarHBondContact O-CB 3.29Å; A447-F451 PolarHBondContact O-N 3.35Å; Q448-F451 PolarHBondContact O-N 3.05Å; L449-F451 VanDerWaalsContact C-N 3.35Å; F451-L453 VanDerWaalsContact C-N 3.34Å; F451-L453 PolarHBondContact O-N 2.87Å; F451-Q454 PolarHBondContact O-N 3.28Å; F451-Q455 WeakPolarHBondContact O-CB 3.5Å; F451-Q455 PolarHBondContact O-N 3.4Å |
| 452 | Q | 89.7 | Confident | 86.4 | Confident | 100 Ų | 100 | 101 Ų | 101 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 174.3 | -73.1 | -179.8 | 15.5 | 0 | 0 | 111.8 | Q448 L449 Q455 A456 | Q448-Q452 WeakPolarHBondContact O-CG 3.32Å; Q448-Q452 PolarHBondContact O-N 3.39Å; L449-Q452 PolarHBondContact O-N 3.02Å; Q452-Q455 PolarHBondContact O-N 2.94Å; Q452-A456 VanDerWaalsContact O-CB 3.31Å; Q452-A456 WeakPolarHBondContact O-CB 3.45Å; Q452-A456 PolarHBondContact O-N 3.49Å |
| 453 | L | 88.4 | Confident | 86.8 | Confident | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.8 | -178.9 | 66.6 | 0 | 0 | 0 | 111.2 | L449 Q450 F451 Q455 A456 Q457 | L449-L453 WeakPolarHBondContact O-CB 3.44Å; L449-L453 PolarHBondContact O-N 2.86Å; Q450-L453 PolarHBondContact O-N 3.4Å; F451-L453 VanDerWaalsContact C-N 3.34Å; F451-L453 PolarHBondContact O-N 2.87Å; L453-Q455 VanDerWaalsContact C-N 3.33Å; L453-Q455 PolarHBondContact O-N 3.17Å; L453-A456 PolarHBondContact O-N 2.92Å; L453-Q457 HydrophobicContact CD1-CG 4.44Å; L453-Q457 HydrophobicContact CG-CG 4.48Å; L453-Q457 VanDerWaalsContact O-CB 3.31Å; L453-Q457 WeakPolarHBondContact O-CB 3.5Å; L453-Q457 WeakPolarHBondContact O-CG 3.45Å; L453-Q457 PolarHBondContact O-N 3.2Å |
| 454 | Q | 90.3 | Very high | 87.4 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 176.6 | -164.6 | -165.2 | 76.3 | 0 | 0 | 111.6 | Q450 F451 K458 | Q450-Q454 WeakPolarHBondContact O-CB 3.2Å; Q450-Q454 PolarHBondContact O-N 3.15Å; F451-Q454 PolarHBondContact O-N 3.28Å; Q454-K458 WeakPolarHBondContact O-CB 3.44Å; Q454-K458 VanDerWaalsContact O-CG 3.31Å; Q454-K458 WeakPolarHBondContact O-CG 3.25Å; Q454-K458 PolarHBondContact O-N 2.93Å |
| 455 | Q | 88.6 | Confident | 87.8 | Confident | 120 Ų | 120 | 97.2 Ų | 97.2 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -44.4 | 175.1 | -169.1 | 176.7 | 23.7 | 0 | 0 | 111.3 | F451 Q452 L453 K458 A459 | F451-Q455 WeakPolarHBondContact O-CB 3.5Å; F451-Q455 PolarHBondContact O-N 3.4Å; Q452-Q455 PolarHBondContact O-N 2.94Å; L453-Q455 VanDerWaalsContact C-N 3.33Å; L453-Q455 PolarHBondContact O-N 3.17Å; Q455-K458 PolarHBondContact O-N 2.99Å; Q455-A459 WeakPolarHBondContact O-CB 3.49Å; Q455-A459 PolarHBondContact O-N 2.94Å |
| 456 | A | 88.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 97 Ų | 97 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q452 L453 A459 H460 | Q452-A456 VanDerWaalsContact O-CB 3.31Å; Q452-A456 WeakPolarHBondContact O-CB 3.45Å; Q452-A456 PolarHBondContact O-N 3.49Å; L453-A456 PolarHBondContact O-N 2.92Å; A456-A459 PolarHBondContact O-N 3.45Å; A456-H460 VanDerWaalsContact O-CB 3.23Å; A456-H460 WeakPolarHBondContact O-CB 3.42Å; A456-H460 PolarHBondContact O-N 3.32Å |
| 457 | Q | 89 | Confident | 88.4 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 173.2 | -77.7 | 172.9 | -10.4 | 0 | 0 | 111.9 | L453 H460 A461 | L453-Q457 HydrophobicContact CD1-CG 4.44Å; L453-Q457 HydrophobicContact CG-CG 4.48Å; L453-Q457 VanDerWaalsContact O-CB 3.31Å; L453-Q457 WeakPolarHBondContact O-CB 3.5Å; L453-Q457 WeakPolarHBondContact O-CG 3.45Å; L453-Q457 PolarHBondContact O-N 3.2Å; Q457-H460 PolarHBondContact O-N 3.38Å; Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 2.96Å |
| 458 | K | 90.5 | Very high | 88.8 | Confident | 129 Ų | 129 | 100 Ų | 100 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 173.4 | -75.5 | 167.6 | 177.2 | 168.2 | 0 | 111.6 | Q454 Q455 A461 M462 | Q454-K458 WeakPolarHBondContact O-CB 3.44Å; Q454-K458 VanDerWaalsContact O-CG 3.31Å; Q454-K458 WeakPolarHBondContact O-CG 3.25Å; Q454-K458 PolarHBondContact O-N 2.93Å; Q455-K458 PolarHBondContact O-N 2.99Å; K458-A461 PolarHBondContact O-N 3.49Å; K458-M462 WeakPolarHBondContact O-CB 3.43Å; K458-M462 PolarHBondContact O-N 3.44Å |
| 459 | A | 87.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 96.5 Ų | 96.5 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q455 A456 M462 S463 | Q455-A459 WeakPolarHBondContact O-CB 3.49Å; Q455-A459 PolarHBondContact O-N 2.94Å; A456-A459 PolarHBondContact O-N 3.45Å; A459-M462 PolarHBondContact O-N 2.88Å; A459-S463 VanDerWaalsContact O-CB 3.29Å; A459-S463 WeakPolarHBondContact O-CB 3.4Å; A459-S463 PolarHBondContact O-N 3.25Å |
| 460 | H | 89.2 | Confident | 88.7 | Confident | 136 Ų | 136 | 95.9 Ų | 95.9 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 174.4 | 179 | -80.9 | 0 | 0 | 0 | 111.6 | A456 Q457 M462 S463 A464 | A456-H460 VanDerWaalsContact O-CB 3.23Å; A456-H460 WeakPolarHBondContact O-CB 3.42Å; A456-H460 PolarHBondContact O-N 3.32Å; Q457-H460 PolarHBondContact O-N 3.38Å; H460-M462 VanDerWaalsContact C-N 3.33Å; H460-M462 PolarHBondContact O-N 3.42Å; H460-S463 PolarHBondContact O-N 2.89Å; H460-A464 VanDerWaalsContact O-CB 3.26Å; H460-A464 WeakPolarHBondContact O-CB 3.23Å; H460-A464 PolarHBondContact O-N 2.61Å |
| 461 | A | 90.8 | Very high | 88.7 | Confident | 47 Ų | 47 | 96.1 Ų | 96.1 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q457 K458 A464 N465 | Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 2.96Å; K458-A461 PolarHBondContact O-N 3.49Å; A461-A464 PolarHBondContact O-N 2.88Å; A461-N465 WeakPolarHBondContact O-CB 3.5Å; A461-N465 PolarHBondContact O-N 3.29Å; A461-N465 PolarHBondContact O-OD1 3.04Å |
| 462 | M | 89.4 | Confident | 88.6 | Confident | 140 Ų | 140 | 94.5 Ų | 94.5 | 69% | 0.69 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 174.1 | -168.9 | 175.9 | 76 | 0 | 0 | 111.7 | K458 A459 H460 N465 M466 | K458-M462 WeakPolarHBondContact O-CB 3.43Å; K458-M462 PolarHBondContact O-N 3.44Å; A459-M462 PolarHBondContact O-N 2.88Å; H460-M462 VanDerWaalsContact C-N 3.33Å; H460-M462 PolarHBondContact O-N 3.42Å; M462-N465 PolarHBondContact O-N 3.26Å; M462-M466 WeakPolarHBondContact O-CB 3.32Å; M462-M466 PolarHBondContact O-N 2.99Å |
| 463 | S | 86.4 | Confident | 88.5 | Confident | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | A459 H460 M466 N467 | A459-S463 VanDerWaalsContact O-CB 3.29Å; A459-S463 WeakPolarHBondContact O-CB 3.4Å; A459-S463 PolarHBondContact O-N 3.25Å; H460-S463 PolarHBondContact O-N 2.89Å; S463-M466 PolarHBondContact O-N 3.46Å; S463-N467 WeakPolarHBondContact O-CB 3.49Å; S463-N467 PolarHBondContact O-N 3.04Å; S463-N467 PolarHBondContact O-ND2 3.5Å; S463-N467 PolarHBondContact OG-ND2 3.2Å |
| 464 | A | 90.1 | Very high | 88.1 | Confident | 43 Ų | 43 | 96.2 Ų | 96.2 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H460 A461 N467 K468 | H460-A464 VanDerWaalsContact O-CB 3.26Å; H460-A464 WeakPolarHBondContact O-CB 3.23Å; H460-A464 PolarHBondContact O-N 2.61Å; A461-A464 PolarHBondContact O-N 2.88Å; A464-N467 PolarHBondContact O-N 2.84Å; A464-K468 VanDerWaalsContact O-CB 3.32Å; A464-K468 WeakPolarHBondContact O-CB 3.48Å; A464-K468 PolarHBondContact O-N 3.39Å |
| 465 | N | 90.4 | Very high | 87.9 | Confident | 115 Ų | 115 | 95.4 Ų | 95.4 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 172.6 | -71 | -7.7 | 0 | 0 | 0 | 111.6 | A461 M462 K468 A469 | A461-N465 WeakPolarHBondContact O-CB 3.5Å; A461-N465 PolarHBondContact O-N 3.29Å; A461-N465 PolarHBondContact O-OD1 3.04Å; M462-N465 PolarHBondContact O-N 3.26Å; N465-K468 PolarHBondContact O-N 2.9Å; N465-A469 PolarHBondContact O-N 3.23Å |
| 466 | M | 87.8 | Confident | 87.7 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 175.8 | -165.1 | 71.4 | 162.8 | 0 | 0 | 111.8 | M462 S463 K468 A469 L470 | M462-M466 WeakPolarHBondContact O-CB 3.32Å; M462-M466 PolarHBondContact O-N 2.99Å; S463-M466 PolarHBondContact O-N 3.46Å; M466-K468 VanDerWaalsContact C-N 3.29Å; M466-K468 PolarHBondContact O-N 3.48Å; M466-A469 PolarHBondContact O-N 2.91Å; M466-L470 HydrophobicContact CG-CD1 4.4Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 VanDerWaalsContact O-CG 3.29Å; M466-L470 WeakPolarHBondContact O-CG 3.42Å; M466-L470 PolarHBondContact O-N 3.37Å |
| 467 | N | 86.6 | Confident | 87.5 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 174.4 | -81.2 | -76 | 0 | 0 | 0 | 111.9 | S463 A464 L470 Q471 | S463-N467 WeakPolarHBondContact O-CB 3.49Å; S463-N467 PolarHBondContact O-N 3.04Å; S463-N467 PolarHBondContact O-ND2 3.5Å; S463-N467 PolarHBondContact OG-ND2 3.2Å; A464-N467 PolarHBondContact O-N 2.84Å; N467-L470 PolarHBondContact O-N 3.34Å; N467-Q471 WeakPolarHBondContact O-CB 3.42Å; N467-Q471 VanDerWaalsContact O-CG 3.28Å; N467-Q471 WeakPolarHBondContact O-CG 3.41Å; N467-Q471 PolarHBondContact O-N 2.86Å |
| 468 | K | 90.4 | Very high | 87.3 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 174.3 | -175.2 | 178.4 | 171.7 | -69.7 | 0 | 111.2 | A464 N465 M466 L470 Q471 E472 | A464-K468 VanDerWaalsContact O-CB 3.32Å; A464-K468 WeakPolarHBondContact O-CB 3.48Å; A464-K468 PolarHBondContact O-N 3.39Å; N465-K468 PolarHBondContact O-N 2.9Å; M466-K468 VanDerWaalsContact C-N 3.29Å; M466-K468 PolarHBondContact O-N 3.48Å; K468-L470 PolarHBondContact O-N 2.92Å; K468-Q471 WeakPolarHBondContact O-CB 3.13Å; K468-Q471 PolarHBondContact O-N 2.85Å; K468-Q471 VanDerWaalsContact O-N 3.13Å; K468-E472 IonicContact NZ-OE1 2.86Å; K468-E472 PolarHBondContact NZ-OE1 3.23Å; K468-E472 IonicContact NZ-OE2 2.57Å; K468-E472 PolarHBondContact NZ-OE2 3.49Å; K468-E472 WeakPolarHBondContact O-CG 3.33Å; K468-E472 PolarHBondContact O-N 2.88Å |
| 469 | A | 87.3 | Confident | 87 | Confident | 42 Ų | 42 | 98.6 Ų | 98.6 | 35% | 0.347 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N465 M466 Q471 E472 E473 | N465-A469 PolarHBondContact O-N 3.23Å; M466-A469 PolarHBondContact O-N 2.91Å; A469-Q471 VanDerWaalsContact C-N 3.27Å; A469-Q471 PolarHBondContact O-N 2.92Å; A469-E472 PolarHBondContact O-N 2.9Å; A469-E472 VanDerWaalsContact O-N 3.11Å; A469-E473 WeakPolarHBondContact O-CG 3.48Å; A469-E473 PolarHBondContact O-N 2.75Å |
| 470 | L | 84.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 100.2 Ų | 100.2 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -29.2 | 174.9 | -67.7 | 170.5 | 0 | 0 | 0 | 113.1 | M466 N467 K468 L474 | M466-L470 HydrophobicContact CG-CD1 4.4Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 VanDerWaalsContact O-CG 3.29Å; M466-L470 WeakPolarHBondContact O-CG 3.42Å; M466-L470 PolarHBondContact O-N 3.37Å; N467-L470 PolarHBondContact O-N 3.34Å; K468-L470 PolarHBondContact O-N 2.92Å; L470-L474 VanDerWaalsContact O-CB 3.25Å; L470-L474 WeakPolarHBondContact O-CB 3.32Å; L470-L474 WeakPolarHBondContact O-CD1 3.18Å; L470-L474 WeakPolarHBondContact O-CG 3.42Å; L470-L474 PolarHBondContact O-N 3.37Å |
| 471 | Q | 88 | Confident | 86.3 | Confident | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.5 | -37 | 171.5 | -79.9 | 176.8 | -8.6 | 0 | 0 | 112.1 | N467 K468 A469 L474 T475 | N467-Q471 WeakPolarHBondContact O-CB 3.42Å; N467-Q471 VanDerWaalsContact O-CG 3.28Å; N467-Q471 WeakPolarHBondContact O-CG 3.41Å; N467-Q471 PolarHBondContact O-N 2.86Å; K468-Q471 WeakPolarHBondContact O-CB 3.13Å; K468-Q471 PolarHBondContact O-N 2.85Å; K468-Q471 VanDerWaalsContact O-N 3.13Å; A469-Q471 VanDerWaalsContact C-N 3.27Å; A469-Q471 PolarHBondContact O-N 2.92Å; Q471-L474 PolarHBondContact O-N 3.19Å; Q471-T475 PolarHBondContact O-N 3.44Å; Q471-T475 PolarHBondContact O-OG1 3.19Å |
| 472 | E | 87.6 | Confident | 85.7 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 176.1 | -72.6 | 171.1 | 142.1 | 0 | 0 | 110.4 | K468 A469 L474 T475 E476 | K468-E472 IonicContact NZ-OE1 2.86Å; K468-E472 PolarHBondContact NZ-OE1 3.23Å; K468-E472 IonicContact NZ-OE2 2.57Å; K468-E472 PolarHBondContact NZ-OE2 3.49Å; K468-E472 WeakPolarHBondContact O-CG 3.33Å; K468-E472 PolarHBondContact O-N 2.88Å; A469-E472 PolarHBondContact O-N 2.9Å; A469-E472 VanDerWaalsContact O-N 3.11Å; E472-L474 PolarHBondContact O-N 2.81Å; E472-T475 WeakPolarHBondContact CA-OG1 3.35Å; E472-T475 PolarHBondContact O-N 2.95Å; E472-T475 VanDerWaalsContact O-N 3.09Å; E472-T475 PolarHBondContact O-OG1 2.85Å; E472-E476 PolarHBondContact O-N 2.94Å |
| 473 | E | 85.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.1 | -43.7 | 170.8 | -64.1 | -92.9 | 169.3 | 0 | 0 | 112.1 | A469 T475 E476 L477 | A469-E473 WeakPolarHBondContact O-CG 3.48Å; A469-E473 PolarHBondContact O-N 2.75Å; E473-T475 VanDerWaalsContact C-N 3.32Å; E473-T475 PolarHBondContact O-N 3.49Å; E473-E476 PolarHBondContact O-N 3.04Å; E473-L477 WeakPolarHBondContact O-CB 3.42Å; E473-L477 PolarHBondContact O-N 3.03Å |
| 474 | L | 81.7 | Confident | 84.5 | Confident | 116 Ų | 116 | 102.2 Ų | 102.2 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -26.7 | 176 | -80.2 | 171.4 | 0 | 0 | 0 | 113.3 | L470 Q471 E472 K478 | L470-L474 VanDerWaalsContact O-CB 3.25Å; L470-L474 WeakPolarHBondContact O-CB 3.32Å; L470-L474 WeakPolarHBondContact O-CD1 3.18Å; L470-L474 WeakPolarHBondContact O-CG 3.42Å; L470-L474 PolarHBondContact O-N 3.37Å; Q471-L474 PolarHBondContact O-N 3.19Å; E472-L474 PolarHBondContact O-N 2.81Å; L474-K478 VanDerWaalsContact O-CB 3.24Å; L474-K478 WeakPolarHBondContact O-CB 3.3Å; L474-K478 PolarHBondContact O-N 2.71Å |
| 475 | T | 84.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.2 | -38.3 | 170.1 | 44.8 | 0 | 0 | 0 | 0 | 112 | Q471 E472 E473 K478 D479 | Q471-T475 PolarHBondContact O-N 3.44Å; Q471-T475 PolarHBondContact O-OG1 3.19Å; E472-T475 WeakPolarHBondContact CA-OG1 3.35Å; E472-T475 PolarHBondContact O-N 2.95Å; E472-T475 VanDerWaalsContact O-N 3.09Å; E472-T475 PolarHBondContact O-OG1 2.85Å; E473-T475 VanDerWaalsContact C-N 3.32Å; E473-T475 PolarHBondContact O-N 3.49Å; T475-K478 WeakPolarHBondContact O-CB 3.38Å; T475-K478 PolarHBondContact O-N 3Å; T475-K478 VanDerWaalsContact O-N 3.15Å; T475-D479 PolarHBondContact O-N 3.48Å |
| 476 | E | 85.1 | Confident | 82.6 | Confident | 141 Ų | 141 | 102.3 Ų | 102.3 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -47.6 | 176.4 | -171.3 | 159.2 | -157.6 | 0 | 0 | 111.2 | E472 E473 K478 D479 E480 | E472-E476 PolarHBondContact O-N 2.94Å; E473-E476 PolarHBondContact O-N 3.04Å; E476-K478 VanDerWaalsContact C-N 3.26Å; E476-K478 PolarHBondContact O-N 3.33Å; E476-D479 PolarHBondContact O-N 3.29Å; E476-E480 WeakPolarHBondContact O-CB 3.32Å; E476-E480 PolarHBondContact O-N 3.06Å |
| 477 | L | 82.9 | Confident | 81.2 | Confident | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.2 | -36.8 | 170 | -89.2 | 158.7 | 0 | 0 | 0 | 113.1 | E473 I481 | E473-L477 WeakPolarHBondContact O-CB 3.42Å; E473-L477 PolarHBondContact O-N 3.03Å; L477-I481 WeakPolarHBondContact O-CB 3.46Å; L477-I481 WeakPolarHBondContact O-CD1 3.4Å; L477-I481 VanDerWaalsContact O-CG1 3.22Å; L477-I481 WeakPolarHBondContact O-CG1 3.26Å; L477-I481 PolarHBondContact O-N 2.89Å |
| 478 | K | 85.6 | Confident | 79.6 | Confident | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.2 | -36.3 | 179.9 | -175.5 | -177.3 | 176.3 | -169.5 | 0 | 112.1 | L474 T475 E476 S482 | L474-K478 VanDerWaalsContact O-CB 3.24Å; L474-K478 WeakPolarHBondContact O-CB 3.3Å; L474-K478 PolarHBondContact O-N 2.71Å; T475-K478 WeakPolarHBondContact O-CB 3.38Å; T475-K478 PolarHBondContact O-N 3Å; T475-K478 VanDerWaalsContact O-N 3.15Å; E476-K478 VanDerWaalsContact C-N 3.26Å; E476-K478 PolarHBondContact O-N 3.33Å; K478-S482 WeakPolarHBondContact O-CB 3.43Å; K478-S482 PolarHBondContact O-N 3.41Å |
| 479 | D | 84.3 | Confident | 78.5 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.2 | -32.7 | 174.8 | -72.6 | -11.4 | 0 | 0 | 0 | 110.8 | T475 E476 S482 L483 | T475-D479 PolarHBondContact O-N 3.48Å; E476-D479 PolarHBondContact O-N 3.29Å; D479-S482 CarbonylContact O-C 3.6Å; D479-S482 WeakPolarHBondContact O-CB 3.3Å; D479-S482 PolarHBondContact O-N 3.36Å; D479-L483 PolarHBondContact O-N 2.86Å |
| 480 | E | 82.5 | Confident | 76.9 | Confident | 87 Ų | 87 | 105.7 Ų | 105.7 | 41% | 0.407 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 169.4 | -157.3 | -166.7 | -177.6 | 0 | 0 | 111.6 | E476 S482 L483 Y484 | E476-E480 WeakPolarHBondContact O-CB 3.32Å; E476-E480 PolarHBondContact O-N 3.06Å; E480-S482 VanDerWaalsContact C-N 3.27Å; E480-S482 PolarHBondContact O-N 3.43Å; E480-L483 WeakPolarHBondContact O-CB 3.23Å; E480-L483 PolarHBondContact O-N 3.23Å; E480-L483 VanDerWaalsContact O-N 3.11Å; E480-Y484 HydrophobicContact CG-CD2 4.18Å; E480-Y484 HydrophobicContact CG-CE2 3.62Å; E480-Y484 WeakPolarHBondContact O-CD2 3.42Å; E480-Y484 PolarHBondContact O-N 2.92Å; E480-Y484 PolarHBondContact OE1-OH 3.01Å |
| 481 | I | 80.3 | Confident | 74.9 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.3 | -40.2 | 170.9 | -71.6 | 163.8 | 0 | 0 | 0 | 110.9 | L477 L483 Y484 E485 | L477-I481 WeakPolarHBondContact O-CB 3.46Å; L477-I481 WeakPolarHBondContact O-CD1 3.4Å; L477-I481 VanDerWaalsContact O-CG1 3.22Å; L477-I481 WeakPolarHBondContact O-CG1 3.26Å; L477-I481 PolarHBondContact O-N 2.89Å; I481-L483 VanDerWaalsContact C-N 3.33Å; I481-L483 PolarHBondContact O-N 3.3Å; I481-Y484 PolarHBondContact O-N 3.02Å; I481-E485 PolarHBondContact O-N 2.91Å |
| 482 | S | 76.9 | Confident | 72.7 | Confident | 62 Ų | 62 | 105.6 Ų | 105.6 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -36.3 | 176.1 | -160.9 | 0 | 0 | 0 | 0 | 112.4 | K478 D479 E480 S486 | K478-S482 WeakPolarHBondContact O-CB 3.43Å; K478-S482 PolarHBondContact O-N 3.41Å; D479-S482 CarbonylContact O-C 3.6Å; D479-S482 WeakPolarHBondContact O-CB 3.3Å; D479-S482 PolarHBondContact O-N 3.36Å; E480-S482 VanDerWaalsContact C-N 3.27Å; E480-S482 PolarHBondContact O-N 3.43Å; S482-S486 VanDerWaalsContact O-CB 3.29Å; S482-S486 WeakPolarHBondContact O-CB 3.49Å; S482-S486 PolarHBondContact O-N 3.3Å; S482-S486 PolarHBondContact O-OG 3.31Å |
| 483 | L | 74.3 | Confident | 70.1 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.7 | -45.5 | 173.7 | -175.5 | 65.5 | 0 | 0 | 0 | 111.3 | D479 E480 I481 S486 A487 | D479-L483 PolarHBondContact O-N 2.86Å; E480-L483 WeakPolarHBondContact O-CB 3.23Å; E480-L483 PolarHBondContact O-N 3.23Å; E480-L483 VanDerWaalsContact O-N 3.11Å; I481-L483 VanDerWaalsContact C-N 3.33Å; I481-L483 PolarHBondContact O-N 3.3Å; L483-S486 WeakPolarHBondContact O-CB 3.43Å; L483-S486 PolarHBondContact O-N 3.29Å; L483-A487 PolarHBondContact O-N 3.03Å |
| 484 | Y | 76.8 | Confident | 68.1 | Low | 146 Ų | 146 | 108.3 Ų | 108.3 | 57% | 0.573 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -42.5 | 175 | -69.4 | -55.8 | 0 | 0 | 0 | 112.7 | E480 I481 S486 A487 A488 | E480-Y484 HydrophobicContact CG-CD2 4.18Å; E480-Y484 HydrophobicContact CG-CE2 3.62Å; E480-Y484 WeakPolarHBondContact O-CD2 3.42Å; E480-Y484 PolarHBondContact O-N 2.92Å; E480-Y484 PolarHBondContact OE1-OH 3.01Å; I481-Y484 PolarHBondContact O-N 3.02Å; Y484-S486 VanDerWaalsContact C-N 3.27Å; Y484-S486 PolarHBondContact O-N 3.48Å; Y484-A487 PolarHBondContact O-N 2.98Å; Y484-A488 WeakPolarHBondContact O-CB 3.39Å; Y484-A488 PolarHBondContact O-N 2.88Å |
| 485 | E | 75.1 | Confident | 65.7 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 49% | 0.486 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.8 | -36.4 | 172.2 | -86.8 | -158.6 | -157.1 | 0 | 0 | 112.5 | I481 A488 K489 | I481-E485 PolarHBondContact O-N 2.91Å; E485-A488 PolarHBondContact O-N 3.28Å; E485-K489 WeakPolarHBondContact O-CD 3.46Å; E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.3Å; E485-K489 PolarHBondContact O-N 3Å; E485-K489 VanDerWaalsContact O-N 3.08Å; E485-K489 IonicContact OE2-NZ 2.64Å; E485-K489 PolarHBondContact OE2-NZ 3.12Å |
| 486 | S | 66.5 | Low | 63.5 | Low | 56 Ų | 56 | 110.7 Ų | 110.7 | 39% | 0.392 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -39 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | S482 L483 Y484 K489 L490 | S482-S486 VanDerWaalsContact O-CB 3.29Å; S482-S486 WeakPolarHBondContact O-CB 3.49Å; S482-S486 PolarHBondContact O-N 3.3Å; S482-S486 PolarHBondContact O-OG 3.31Å; L483-S486 WeakPolarHBondContact O-CB 3.43Å; L483-S486 PolarHBondContact O-N 3.29Å; Y484-S486 VanDerWaalsContact C-N 3.27Å; Y484-S486 PolarHBondContact O-N 3.48Å; S486-K489 PolarHBondContact O-N 2.92Å; S486-L490 WeakPolarHBondContact O-CG 3.05Å; S486-L490 PolarHBondContact O-N 3.03Å |
| 487 | A | 58.3 | Low | 61.2 | Low | 57 Ų | 57 | 110 Ų | 110 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.6 | -44.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L483 Y484 K489 L490 | L483-A487 PolarHBondContact O-N 3.03Å; Y484-A487 PolarHBondContact O-N 2.98Å; A487-K489 VanDerWaalsContact C-N 3.3Å; A487-K489 PolarHBondContact O-N 2.86Å; A487-L490 PolarHBondContact O-N 3.44Å; A487-L490 VanDerWaalsContact O-N 3.09Å |
| 488 | A | 52.3 | Low | 59 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y484 E485 L490 | Y484-A488 WeakPolarHBondContact O-CB 3.39Å; Y484-A488 PolarHBondContact O-N 2.88Å; E485-A488 PolarHBondContact O-N 3.28Å; A488-L490 VanDerWaalsContact C-N 3.26Å; A488-L490 PolarHBondContact O-N 3.41Å |
| 489 | K | 66.8 | Low | 56.6 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -11.8 | 176.8 | -73.8 | 161.9 | -170.7 | 150.9 | 0 | 114.2 | E485 S486 A487 | E485-K489 WeakPolarHBondContact O-CD 3.46Å; E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.3Å; E485-K489 PolarHBondContact O-N 3Å; E485-K489 VanDerWaalsContact O-N 3.08Å; E485-K489 IonicContact OE2-NZ 2.64Å; E485-K489 PolarHBondContact OE2-NZ 3.12Å; S486-K489 PolarHBondContact O-N 2.92Å; A487-K489 VanDerWaalsContact C-N 3.3Å; A487-K489 PolarHBondContact O-N 2.86Å |
| 490 | L | 54 | Low | 54.5 | Low | 145 Ų | 145 | 115.4 Ų | 115.4 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 11.1 | -178 | -70.8 | 172.2 | 0 | 0 | 0 | 114.5 | S486 A487 A488 I492 | S486-L490 WeakPolarHBondContact O-CG 3.05Å; S486-L490 PolarHBondContact O-N 3.03Å; A487-L490 PolarHBondContact O-N 3.44Å; A487-L490 VanDerWaalsContact O-N 3.09Å; A488-L490 VanDerWaalsContact C-N 3.26Å; A488-L490 PolarHBondContact O-N 3.41Å; L490-I492 PolarHBondContact O-N 3.23Å |
| 491 | G | 44.3 | Very low | 52.5 | Low | 65 Ų | 65 | 118.7 Ų | 118.7 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.9 | 14.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | H493 | G491-H493 PolarHBondContact O-N 2.83Š|
| 492 | I | 40.8 | Very low | 50.4 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 80% | 0.795 | 69% | 0.686 | S | S | * | * | trans | -86.3 | 98.5 | 167.5 | -58.5 | 179.8 | 0 | 0 | 0 | 108 | L490 | L490-I492 PolarHBondContact O-N 3.23Š| ||
| 493 | H | 32.9 | Very low | 48.3 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 73% | 0.731 | 70% | 0.695 | S | S | * | * | trans | -121.1 | 110.5 | -175.4 | -172.7 | 86.6 | 0 | 0 | 0 | 111.1 | G491 | G491-H493 PolarHBondContact O-N 2.83Š| ||
| 494 | P | 45.1 | Very low | 46.3 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -92.3 | 125.5 | 162.7 | 32.2 | -25 | 0 | 0 | 0 | 110.1 | ||||
| 495 | S | 30.9 | Very low | 44.5 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | trans | -80.9 | 162.2 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 496 | D | 37.6 | Very low | 42.9 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | 23.9 | 112.9 | 151.9 | -49.9 | -23.7 | 0 | 0 | 0 | 119.1 | ||||
| 497 | S | 36.7 | Very low | 41.2 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -153.4 | 139.7 | 137.5 | -146.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 498 | E | 36.4 | Very low | 40.4 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | -84.4 | 134.4 | 164.2 | 175.6 | 178.1 | -145.1 | 0 | 0 | 108.2 | ||||
| 499 | G | 35.5 | Very low | 39.6 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 157.7 | 126.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 500 | E | 41.5 | Very low | 38 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -76.6 | -178.5 | 179.1 | -61.3 | 174.6 | 105.7 | 0 | 0 | 113.9 | ||||
| 501 | L | 40.2 | Very low | 37.2 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 99.4 | 135 | 161.7 | -55.6 | 175.2 | 0 | 0 | 0 | 116.9 | ||||
| 502 | N | 35.3 | Very low | 37.2 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -170.5 | 179.5 | -20.2 | -152 | -13.5 | 0 | 0 | 0 | 110.8 | ||||
| 503 | I | 32.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 62% | 0.621 | 80% | 0.796 | S | S | * | * | trans | 83.5 | 126.4 | 150.7 | -67.5 | 153.4 | 0 | 0 | 0 | 119.4 | ||||
| 504 | E | 32.2 | Very low | 37.3 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | 59.4 | 139.8 | 159.5 | -73.6 | 153.2 | -156.9 | 0 | 0 | 119.2 | ||||
| 505 | L | 38.5 | Very low | 36.9 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | cis | -113.4 | 146.4 | 18.8 | -78.5 | 161.1 | 0 | 0 | 0 | 114.6 | ||||
| 506 | T | 42.6 | Very low | 37.9 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -124.5 | 107.1 | 170.6 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 507 | E | 30.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 152 Ų | 152 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -159.5 | 167.4 | 165.4 | -130.4 | 169.7 | -162.1 | 0 | 0 | 113.8 | ||||
| 508 | S | 41 | Very low | 38 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 62.1 | 61.2 | 175.3 | -150 | 0 | 0 | 0 | 0 | 118 | ||||
| 509 | Y | 34.9 | Very low | 37.7 | Very low | 231 Ų | 231 | 153.9 Ų | 153.9 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -107.7 | 25 | 160.7 | -120.2 | -78.6 | 0 | 0 | 0 | 112.2 | ||||
| 510 | V | 34.4 | Very low | 37.7 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -142.7 | 51.4 | -164.4 | -157 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 511 | D | 36.5 | Very low | 37.7 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -163.4 | 129.7 | 164.1 | -116.2 | 9.4 | 0 | 0 | 0 | 108.8 | ||||
| 512 | L | 44.3 | Very low | 37.2 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | S | Bend | cis | -139.9 | 129.7 | -4.1 | -84.1 | 162 | 0 | 0 | 0 | 110.9 | ||
| 513 | G | 38.9 | Very low | 37.2 | Very low | 79 Ų | 79 | 160.8 Ų | 160.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 99.5 | 24.2 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123 | K515 | G513-K515 PolarHBondContact O-N 3.34Š| ||
| 514 | I | 37.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | trans | -84.5 | 97.6 | 160.7 | -57.6 | -178.4 | 0 | 0 | 0 | 110.2 | ||||
| 515 | K | 36.3 | Very low | 37 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -150.1 | 130.9 | 159.8 | -143.4 | 165.9 | -170.9 | 171.2 | 0 | 115.3 | G513 | G513-K515 PolarHBondContact O-N 3.34Š| ||
| 516 | K | 52.4 | Low | 36.7 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -88.8 | 119.8 | -179.2 | 174.1 | -174.6 | -178 | 178.5 | 0 | 110.7 | ||||
| 517 | V | 31.1 | Very low | 36.3 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -140.5 | 143.4 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 518 | N | 44.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -101 | 166.3 | -178.1 | -64.9 | -15.5 | 0 | 0 | 0 | 112.4 | ||||
| 519 | W | 31 | Very low | 36.3 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | 99.6 | 129.6 | 149.4 | -131.6 | -34.7 | 0 | 0 | 0 | 119.8 | ||||
| 520 | K | 34.8 | Very low | 36.4 | Very low | 171 Ų | 171 | 154 Ų | 154 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 101.3 | 92.7 | 141.3 | -108.8 | 155.5 | -173.4 | 174.4 | 0 | 121.3 | ||||
| 521 | K | 41.5 | Very low | 36.5 | Very low | 209 Ų | 209 | 157.3 Ų | 157.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 45.1 | 109.8 | 133.9 | -67.2 | -170.8 | 173.5 | -172.4 | 0 | 121.8 | ||||
| 522 | S | 29.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -153.5 | 128.1 | 130.1 | 48.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 523 | K | 36.2 | Very low | 36.9 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | 78.2 | 121.1 | 51 | -155.4 | -159.7 | 176.1 | -173.8 | 0 | 113.6 | |||||
| 524 | V | 31.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 158.6 Ų | 158.6 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | 112.8 | 109.4 | 160.1 | -177.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 525 | T | 28.8 | Very low | 37.7 | Very low | 133 Ų | 133 | 158.9 Ų | 158.9 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | 58.6 | 148.7 | 162.9 | 50.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 526 | S | 31.5 | Very low | 38.6 | Very low | 103 Ų | 103 | 158.6 Ų | 158.6 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | cis | -131.1 | 149.9 | 12.7 | -167.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 527 | I | 34.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | -53.9 | 141.7 | 158.6 | -67.5 | 157.7 | 0 | 0 | 0 | 109.1 | ||||
| 528 | V | 38.1 | Very low | 40.5 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | 75.7 | 90.3 | 19.1 | -170.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 529 | Q | 34.7 | Very low | 41.9 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -116.3 | 117.3 | 158.8 | -79.1 | -177.5 | -81.6 | 0 | 0 | 110.1 | ||||
| 530 | E | 36.9 | Very low | 44 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -85.2 | 149.9 | 147.2 | -66.8 | 170 | 111.2 | 0 | 0 | 107.2 | ||||
| 531 | E | 36.8 | Very low | 46.2 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | trans | -94.8 | 121.7 | 170.9 | -68.5 | -175.2 | 134 | 0 | 0 | 109.7 | ||||
| 532 | D | 33.7 | Very low | 48.1 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -111.8 | 128.7 | 172.7 | -174 | 52.1 | 0 | 0 | 0 | 109.4 | N534 | D532-N534 PolarHBondContact O-N 2.84Å; D532-N534 VanDerWaalsContact O-N 3.09Å | ||
| 533 | P | 54.6 | Low | 50.8 | Low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -90.2 | 74.5 | -164.6 | 35.4 | -36.7 | 0 | 0 | 0 | 113.2 | ||
| 534 | N | 46.7 | Very low | 53.2 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -150.9 | 87.4 | 166.2 | -85 | -63.3 | 0 | 0 | 0 | 112.4 | D532 | D532-N534 PolarHBondContact O-N 2.84Å; D532-N534 VanDerWaalsContact O-N 3.09Å | ||
| 535 | E | 47.2 | Very low | 55.7 | Low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | trans | -111.6 | 103.8 | 160.7 | -167.1 | 159.9 | -133.9 | 0 | 0 | 109.2 | L537 | E535-L537 PolarHBondContact O-N 3.29Š| ||
| 536 | E | 55 | Low | 58.6 | Low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | trans | -62.8 | 106.6 | 171.2 | -75.9 | -168.7 | 113.6 | 0 | 0 | 108.9 | S538 | E536-S538 PolarHBondContact O-N 2.95Å; E536-S538 VanDerWaalsContact O-N 3.16Å | ||
| 537 | L | 56.3 | Low | 61.4 | Low | 77 Ų | 77 | 133.2 Ų | 133.2 | 40% | 0.403 | 67% | 0.666 | S | S | . | * | trans | -48.8 | 125 | 171.4 | -66.1 | 175.7 | 0 | 0 | 0 | 109.3 | E535 K539 K545 | E535-L537 PolarHBondContact O-N 3.29Å; L537-K539 PolarHBondContact O-N 2.85Å; L537-K545 HydrophobicContact CD1-CD 4.02Å | ||
| 538 | S | 66.8 | Low | 64.1 | Low | 71 Ų | 71 | 129.5 Ų | 129.5 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | trans | -46.2 | 140.2 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | E536 D540 E541 F542 | E536-S538 PolarHBondContact O-N 2.95Å; E536-S538 VanDerWaalsContact O-N 3.16Å; S538-D540 PolarHBondContact O-N 3.42Å; S538-E541 CarbonylContact O-C 3.54Å; S538-E541 WeakPolarHBondContact O-CA 3.49Å; S538-E541 WeakPolarHBondContact O-CB 3.47Å; S538-E541 PolarHBondContact O-N 3.28Å; S538-F542 PolarHBondContact O-N 3.48Å | ||
| 539 | K | 73.2 | Confident | 66.5 | Low | 179 Ų | 179 | 127.2 Ų | 127.2 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -52.7 | -37.4 | -176.7 | -69.4 | -179.6 | 179.7 | 175.4 | 0 | 112.1 | L537 I543 | L537-K539 PolarHBondContact O-N 2.85Å; K539-I543 WeakPolarHBondContact O-CB 3.45Å; K539-I543 WeakPolarHBondContact O-CD1 3.38Å; K539-I543 WeakPolarHBondContact O-CG1 3.45Å; K539-I543 PolarHBondContact O-N 2.95Å |
| 540 | D | 76.6 | Confident | 69.3 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.7 | -33.5 | 176.2 | -65.6 | -34.9 | 0 | 0 | 0 | 112.8 | S538 I543 L544 | S538-D540 PolarHBondContact O-N 3.42Å; D540-I543 PolarHBondContact O-N 3.38Å; D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 VanDerWaalsContact O-CG 3.24Å; D540-L544 WeakPolarHBondContact O-CG 3.48Å; D540-L544 PolarHBondContact O-N 3.08Å |
| 541 | E | 80.8 | Confident | 71.9 | Confident | 81 Ų | 81 | 119.4 Ų | 119.4 | 38% | 0.379 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.6 | -37.7 | 175 | -156.5 | -160.2 | 143.9 | 0 | 0 | 111.9 | S538 I543 L544 K545 | S538-E541 CarbonylContact O-C 3.54Å; S538-E541 WeakPolarHBondContact O-CA 3.49Å; S538-E541 WeakPolarHBondContact O-CB 3.47Å; S538-E541 PolarHBondContact O-N 3.28Å; E541-I543 VanDerWaalsContact C-N 3.34Å; E541-L544 PolarHBondContact O-N 2.71Å; E541-K545 WeakPolarHBondContact O-CB 3.34Å; E541-K545 WeakPolarHBondContact O-CG 3.4Å; E541-K545 PolarHBondContact O-N 2.83Å; E541-K545 WeakPolarHBondContact OE1-CE 3.37Å; E541-K545 IonicContact OE1-NZ 2.68Å; E541-K545 PolarHBondContact OE1-NZ 2.82Å |
| 542 | F | 81.3 | Confident | 74.5 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 54% | 0.544 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.5 | -41.3 | 170.4 | -165.6 | -85.3 | 0 | 0 | 0 | 110.9 | S538 K545 L546 | S538-F542 PolarHBondContact O-N 3.48Å; F542-K545 PolarHBondContact O-N 3.09Å; F542-L546 WeakPolarHBondContact O-CB 3.42Å; F542-L546 PolarHBondContact O-N 2.96Å |
| 543 | I | 85.2 | Confident | 77.3 | Confident | 98 Ų | 98 | 115.3 Ų | 115.3 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 172.6 | -73.2 | 163.1 | 0 | 0 | 0 | 111.4 | K539 D540 E541 K547 | K539-I543 WeakPolarHBondContact O-CB 3.45Å; K539-I543 WeakPolarHBondContact O-CD1 3.38Å; K539-I543 WeakPolarHBondContact O-CG1 3.45Å; K539-I543 PolarHBondContact O-N 2.95Å; D540-I543 PolarHBondContact O-N 3.38Å; E541-I543 VanDerWaalsContact C-N 3.34Å; I543-K547 WeakPolarHBondContact O-CB 3.49Å; I543-K547 PolarHBondContact O-N 2.84Å |
| 544 | L | 87.8 | Confident | 79.1 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -46.7 | 175.8 | -77.9 | 167.7 | 0 | 0 | 0 | 112 | D540 E541 K547 A548 | D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 VanDerWaalsContact O-CG 3.24Å; D540-L544 WeakPolarHBondContact O-CG 3.48Å; D540-L544 PolarHBondContact O-N 3.08Å; E541-L544 PolarHBondContact O-N 2.71Å; L544-K547 PolarHBondContact O-N 2.81Å; L544-A548 WeakPolarHBondContact O-CB 3.48Å; L544-A548 PolarHBondContact O-N 2.87Å |
| 545 | K | 84.8 | Confident | 81.3 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 46% | 0.457 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -45.3 | 175 | -77.2 | 168.3 | 169.8 | 165.2 | 0 | 111.2 | L537 E541 F542 A548 E549 | L537-K545 HydrophobicContact CD1-CD 4.02Å; E541-K545 WeakPolarHBondContact O-CB 3.34Å; E541-K545 WeakPolarHBondContact O-CG 3.4Å; E541-K545 PolarHBondContact O-N 2.83Å; E541-K545 WeakPolarHBondContact OE1-CE 3.37Å; E541-K545 IonicContact OE1-NZ 2.68Å; E541-K545 PolarHBondContact OE1-NZ 2.82Å; F542-K545 PolarHBondContact O-N 3.09Å; K545-A548 PolarHBondContact O-N 3.34Å; K545-E549 WeakPolarHBondContact O-CB 3.29Å; K545-E549 PolarHBondContact O-N 3.06Å |
| 546 | L | 88.8 | Confident | 83.5 | Confident | 93 Ų | 93 | 103.4 Ų | 103.4 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.8 | -175.8 | 63.1 | 0 | 0 | 0 | 112.2 | F542 E549 V550 | F542-L546 WeakPolarHBondContact O-CB 3.42Å; F542-L546 PolarHBondContact O-N 2.96Å; L546-E549 PolarHBondContact O-N 3.48Å; L546-V550 HydrophobicContact CD1-CG2 4.32Å; L546-V550 HydrophobicContact CG-CG2 4.45Å; L546-V550 WeakPolarHBondContact O-CB 3.48Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.43Å; L546-V550 PolarHBondContact O-N 2.95Å |
| 547 | K | 90.5 | Very high | 85.3 | Confident | 137 Ų | 137 | 98 Ų | 98 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.1 | -43.5 | 176.6 | -177.2 | -179.3 | 179 | -176.8 | 0 | 111.7 | I543 L544 E549 V550 Q551 | I543-K547 WeakPolarHBondContact O-CB 3.49Å; I543-K547 PolarHBondContact O-N 2.84Å; L544-K547 PolarHBondContact O-N 2.81Å; K547-E549 VanDerWaalsContact C-N 3.35Å; K547-V550 PolarHBondContact O-N 3.14Å; K547-Q551 VanDerWaalsContact O-CB 3.32Å; K547-Q551 WeakPolarHBondContact O-CB 3.48Å; K547-Q551 PolarHBondContact O-N 3.49Å |
| 548 | A | 90.1 | Very high | 87 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L544 K545 Q551 R552 | L544-A548 WeakPolarHBondContact O-CB 3.48Å; L544-A548 PolarHBondContact O-N 2.87Å; K545-A548 PolarHBondContact O-N 3.34Å; A548-Q551 PolarHBondContact O-N 3.48Å; A548-R552 WeakPolarHBondContact O-CB 3.06Å; A548-R552 PolarHBondContact O-N 3.42Å |
| 549 | E | 89.9 | Confident | 88.2 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 34% | 0.341 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 177.6 | -179.9 | 58.2 | -168 | 0 | 0 | 112.4 | K545 L546 K547 Q551 R552 L553 | K545-E549 WeakPolarHBondContact O-CB 3.29Å; K545-E549 PolarHBondContact O-N 3.06Å; L546-E549 PolarHBondContact O-N 3.48Å; K547-E549 VanDerWaalsContact C-N 3.35Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 3.22Å; E549-R552 VanDerWaalsContact CD-NH2 3.28Å; E549-R552 WeakPolarHBondContact O-CB 3.43Å; E549-R552 PolarHBondContact O-N 3.33Å; E549-R552 IonicContact OE1-CZ 2.65Å; E549-R552 IonicContact OE1-NE 2.79Å; E549-R552 IonicContact OE1-NH2 2.61Å; E549-R552 PolarHBondContact OE1-NH2 3.05Å; E549-R552 IonicContact OE2-CZ 3.76Å; E549-R552 VanDerWaalsContact OE2-CZ 3.29Å; E549-R552 IonicContact OE2-NE 2.72Å; E549-R552 PolarHBondContact OE2-NE 2.78Å; E549-R552 IonicContact OE2-NH2 2.61Å; E549-R552 PolarHBondContact OE2-NH2 3.28Å; E549-L553 HydrophobicContact CG-CD1 4.08Å; E549-L553 WeakPolarHBondContact O-CB 3.33Å; E549-L553 VanDerWaalsContact O-CG 3.29Å; E549-L553 WeakPolarHBondContact O-CG 3.33Å; E549-L553 PolarHBondContact O-N 3.28Å |
| 550 | V | 92.1 | Very high | 89.3 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 172.9 | 166.1 | 0 | 0 | 0 | 0 | 111 | L546 K547 L553 L554 | L546-V550 HydrophobicContact CD1-CG2 4.32Å; L546-V550 HydrophobicContact CG-CG2 4.45Å; L546-V550 WeakPolarHBondContact O-CB 3.48Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.43Å; L546-V550 PolarHBondContact O-N 2.95Å; K547-V550 PolarHBondContact O-N 3.14Å; V550-L553 PolarHBondContact O-N 3.18Å; V550-L554 HydrophobicContact CG1-CD1 3.88Å; V550-L554 HydrophobicContact CG1-CG 4.35Å; V550-L554 WeakPolarHBondContact O-CB 3.34Å; V550-L554 VanDerWaalsContact O-CG 3.25Å; V550-L554 WeakPolarHBondContact O-CG 3.36Å; V550-L554 PolarHBondContact O-N 3.41Å |
| 551 | Q | 91.6 | Very high | 90.1 | Very high | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.3 | -36.2 | 176.9 | -169.5 | 161.3 | -18.8 | 0 | 0 | 112.2 | K547 A548 E549 L554 G555 | K547-Q551 VanDerWaalsContact O-CB 3.32Å; K547-Q551 WeakPolarHBondContact O-CB 3.48Å; K547-Q551 PolarHBondContact O-N 3.49Å; A548-Q551 PolarHBondContact O-N 3.48Å; E549-Q551 VanDerWaalsContact C-N 3.3Å; E549-Q551 PolarHBondContact O-N 3.22Å; Q551-L554 PolarHBondContact O-N 2.9Å; Q551-G555 PolarHBondContact O-N 3.09Å |
| 552 | R | 92.5 | Very high | 90.7 | Very high | 160 Ų | 160 | 101.7 Ų | 101.7 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 171.2 | -168.9 | -178.3 | 74.2 | 98.4 | 0.4 | 111.9 | A548 E549 G555 S556 | A548-R552 WeakPolarHBondContact O-CB 3.06Å; A548-R552 PolarHBondContact O-N 3.42Å; E549-R552 VanDerWaalsContact CD-NH2 3.28Å; E549-R552 WeakPolarHBondContact O-CB 3.43Å; E549-R552 PolarHBondContact O-N 3.33Å; E549-R552 IonicContact OE1-CZ 2.65Å; E549-R552 IonicContact OE1-NE 2.79Å; E549-R552 IonicContact OE1-NH2 2.61Å; E549-R552 PolarHBondContact OE1-NH2 3.05Å; E549-R552 IonicContact OE2-CZ 3.76Å; E549-R552 VanDerWaalsContact OE2-CZ 3.29Å; E549-R552 IonicContact OE2-NE 2.72Å; E549-R552 PolarHBondContact OE2-NE 2.78Å; E549-R552 IonicContact OE2-NH2 2.61Å; E549-R552 PolarHBondContact OE2-NH2 3.28Å; R552-G555 PolarHBondContact O-N 2.89Å; R552-S556 PolarHBondContact O-N 3.07Å |
| 553 | L | 92.3 | Very high | 91.4 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.7 | -71.7 | 170.1 | 0 | 0 | 0 | 112.1 | E549 V550 S556 N557 | E549-L553 HydrophobicContact CG-CD1 4.08Å; E549-L553 WeakPolarHBondContact O-CB 3.33Å; E549-L553 VanDerWaalsContact O-CG 3.29Å; E549-L553 WeakPolarHBondContact O-CG 3.33Å; E549-L553 PolarHBondContact O-N 3.28Å; V550-L553 PolarHBondContact O-N 3.18Å; L553-S556 PolarHBondContact O-N 3.19Å; L553-N557 VanDerWaalsContact O-CB 3.24Å; L553-N557 WeakPolarHBondContact O-CB 3.47Å; L553-N557 PolarHBondContact O-N 2.81Å |
| 554 | L | 92.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 173 | -77 | 169.1 | 0 | 0 | 0 | 111.7 | V550 Q551 N557 S558 | V550-L554 HydrophobicContact CG1-CD1 3.88Å; V550-L554 HydrophobicContact CG1-CG 4.35Å; V550-L554 WeakPolarHBondContact O-CB 3.34Å; V550-L554 VanDerWaalsContact O-CG 3.25Å; V550-L554 WeakPolarHBondContact O-CG 3.36Å; V550-L554 PolarHBondContact O-N 3.41Å; Q551-L554 PolarHBondContact O-N 2.9Å; L554-N557 PolarHBondContact O-N 3.22Å; L554-S558 WeakPolarHBondContact O-CB 3.3Å; L554-S558 PolarHBondContact O-N 2.71Å |
| 555 | G | 91.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 96.7 Ų | 96.7 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q551 R552 N557 S558 M559 | Q551-G555 PolarHBondContact O-N 3.09Å; R552-G555 PolarHBondContact O-N 2.89Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 3.02Å; G555-S558 PolarHBondContact O-N 3.38Å; G555-M559 PolarHBondContact O-N 3.42Å |
| 556 | S | 92.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 96.6 Ų | 96.6 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | R552 L553 M559 K560 | R552-S556 PolarHBondContact O-N 3.07Å; L553-S556 PolarHBondContact O-N 3.19Å; S556-M559 PolarHBondContact O-N 2.93Å; S556-K560 WeakPolarHBondContact O-CB 3.31Å; S556-K560 VanDerWaalsContact O-CG 3.28Å; S556-K560 WeakPolarHBondContact O-CG 3.25Å; S556-K560 PolarHBondContact O-N 3.02Å |
| 557 | N | 93.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176 | -169.3 | -70.6 | 0 | 0 | 0 | 111.2 | L553 L554 G555 K560 R561 | L553-N557 VanDerWaalsContact O-CB 3.24Å; L553-N557 WeakPolarHBondContact O-CB 3.47Å; L553-N557 PolarHBondContact O-N 2.81Å; L554-N557 PolarHBondContact O-N 3.22Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 3.02Å; N557-K560 PolarHBondContact O-N 3.17Å; N557-R561 WeakPolarHBondContact O-CG 3.48Å; N557-R561 PolarHBondContact O-N 2.68Å; N557-R561 PolarHBondContact OD1-NE 3.16Å; N557-R561 PolarHBondContact OD1-NH1 3.48Å; N557-R561 VanDerWaalsContact OD1-NH1 3.11Å |
| 558 | S | 92.8 | Very high | 93 | Very high | 62 Ų | 62 | 95.6 Ų | 95.6 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.3 | -133.3 | 0 | 0 | 0 | 0 | 112.2 | L554 G555 K560 R561 H562 | L554-S558 WeakPolarHBondContact O-CB 3.3Å; L554-S558 PolarHBondContact O-N 2.71Å; G555-S558 PolarHBondContact O-N 3.38Å; S558-K560 VanDerWaalsContact C-N 3.35Å; S558-K560 PolarHBondContact O-N 2.88Å; S558-R561 PolarHBondContact O-N 3.45Å; S558-R561 PolarHBondContact OG-NH2 2.99Å; S558-H562 PolarHBondContact O-N 2.88Å |
| 559 | M | 91.7 | Very high | 93.1 | Very high | 141 Ų | 141 | 96.8 Ų | 96.8 | 70% | 0.695 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 175.1 | -161 | 70.9 | -174.1 | 0 | 0 | 111.5 | G555 S556 H562 L563 | G555-M559 PolarHBondContact O-N 3.42Å; S556-M559 PolarHBondContact O-N 2.93Å; M559-H562 PolarHBondContact O-N 3.21Å; M559-L563 PolarHBondContact O-N 2.96Å |
| 560 | K | 95.1 | Very high | 93.3 | Very high | 134 Ų | 134 | 96.6 Ų | 96.6 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 175 | -73.9 | 173.7 | -178 | -177.7 | 0 | 112.5 | S556 N557 S558 L563 V564 | S556-K560 WeakPolarHBondContact O-CB 3.31Å; S556-K560 VanDerWaalsContact O-CG 3.28Å; S556-K560 WeakPolarHBondContact O-CG 3.25Å; S556-K560 PolarHBondContact O-N 3.02Å; N557-K560 PolarHBondContact O-N 3.17Å; S558-K560 VanDerWaalsContact C-N 3.35Å; S558-K560 PolarHBondContact O-N 2.88Å; K560-L563 PolarHBondContact O-N 3.45Å; K560-V564 WeakPolarHBondContact O-CB 3.08Å; K560-V564 VanDerWaalsContact O-CG2 3.3Å; K560-V564 WeakPolarHBondContact O-CG2 3.4Å; K560-V564 PolarHBondContact O-N 3.34Å |
| 561 | R | 93.8 | Very high | 93.3 | Very high | 133 Ų | 133 | 99.1 Ų | 99.1 | 50% | 0.502 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.1 | -74.5 | -177.4 | -60.2 | -141.4 | 1.4 | 111.4 | N557 S558 L563 V564 S565 | N557-R561 WeakPolarHBondContact O-CG 3.48Å; N557-R561 PolarHBondContact O-N 2.68Å; N557-R561 PolarHBondContact OD1-NE 3.16Å; N557-R561 PolarHBondContact OD1-NH1 3.48Å; N557-R561 VanDerWaalsContact OD1-NH1 3.11Å; S558-R561 PolarHBondContact O-N 3.45Å; S558-R561 PolarHBondContact OG-NH2 2.99Å; R561-L563 PolarHBondContact O-N 2.94Å; R561-V564 PolarHBondContact O-N 3.47Å; R561-S565 PolarHBondContact O-N 2.89Å; R561-S565 PolarHBondContact O-OG 2.89Å |
| 562 | H | 93.9 | Very high | 93.4 | Very high | 129 Ų | 129 | 98.9 Ų | 98.9 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 176.3 | -167.4 | -16.5 | 0 | 0 | 0 | 111.9 | S558 M559 S565 Q566 | S558-H562 PolarHBondContact O-N 2.88Å; M559-H562 PolarHBondContact O-N 3.21Å; H562-S565 PolarHBondContact O-N 2.84Å; H562-Q566 PolarHBondContact O-N 3.42Å |
| 563 | L | 95.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.1 | -179.4 | 62.6 | 0 | 0 | 0 | 112.2 | M559 K560 R561 Q566 L567 | M559-L563 PolarHBondContact O-N 2.96Å; K560-L563 PolarHBondContact O-N 3.45Å; R561-L563 PolarHBondContact O-N 2.94Å; L563-Q566 PolarHBondContact O-N 2.99Å; L563-L567 HydrophobicContact CD1-CD1 4.33Å; L563-L567 HydrophobicContact CD1-CG 4.4Å; L563-L567 HydrophobicContact CG-CD1 4.12Å; L563-L567 WeakPolarHBondContact O-CB 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.5Å; L563-L567 PolarHBondContact O-N 3.35Å |
| 564 | V | 94.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 94.8 Ų | 94.8 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.8 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | K560 R561 Q566 L567 Q568 | K560-V564 WeakPolarHBondContact O-CB 3.08Å; K560-V564 VanDerWaalsContact O-CG2 3.3Å; K560-V564 WeakPolarHBondContact O-CG2 3.4Å; K560-V564 PolarHBondContact O-N 3.34Å; R561-V564 PolarHBondContact O-N 3.47Å; V564-Q566 VanDerWaalsContact C-N 3.32Å; V564-Q566 PolarHBondContact O-N 3.42Å; V564-L567 PolarHBondContact O-N 3.06Å; V564-Q568 HydrophobicContact CG1-CG 4.36Å; V564-Q568 WeakPolarHBondContact O-CB 3.41Å; V564-Q568 WeakPolarHBondContact O-CG 3.44Å; V564-Q568 PolarHBondContact O-N 3.21Å |
| 565 | S | 93.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 95.8 Ų | 95.8 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 175.6 | -64 | 0 | 0 | 0 | 0 | 112.9 | R561 H562 N569 | R561-S565 PolarHBondContact O-N 2.89Å; R561-S565 PolarHBondContact O-OG 2.89Å; H562-S565 PolarHBondContact O-N 2.84Å; S565-N569 PolarHBondContact O-N 3.31Å |
| 566 | Q | 93.2 | Very high | 93 | Very high | 103 Ų | 103 | 99.5 Ų | 99.5 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -54.4 | 172.4 | -175.8 | 172.6 | -3.8 | 0 | 0 | 110.6 | H562 L563 V564 Q568 N569 D570 | H562-Q566 PolarHBondContact O-N 3.42Å; L563-Q566 PolarHBondContact O-N 2.99Å; V564-Q566 VanDerWaalsContact C-N 3.32Å; V564-Q566 PolarHBondContact O-N 3.42Å; Q566-Q568 PolarHBondContact O-N 2.79Å; Q566-N569 WeakPolarHBondContact O-CA 3.37Å; Q566-N569 WeakPolarHBondContact O-CB 3.4Å; Q566-N569 PolarHBondContact O-N 3.21Å; Q566-D570 VanDerWaalsContact O-CG 3.24Å; Q566-D570 PolarHBondContact O-N 2.89Å |
| 567 | L | 95.2 | Very high | 92.8 | Very high | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -30.4 | 177.4 | -68.6 | 170.1 | 0 | 0 | 0 | 113.2 | L563 V564 L571 | L563-L567 HydrophobicContact CD1-CD1 4.33Å; L563-L567 HydrophobicContact CD1-CG 4.4Å; L563-L567 HydrophobicContact CG-CD1 4.12Å; L563-L567 WeakPolarHBondContact O-CB 3.3Å; L563-L567 WeakPolarHBondContact O-CG 3.5Å; L563-L567 PolarHBondContact O-N 3.35Å; V564-L567 PolarHBondContact O-N 3.06Å; L567-L571 WeakPolarHBondContact O-CB 3.45Å; L567-L571 PolarHBondContact O-N 2.89Å |
| 568 | Q | 94.1 | Very high | 92.5 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -27.8 | 173.1 | -79.5 | 175.3 | -18.4 | 0 | 0 | 113.5 | V564 Q566 K572 | V564-Q568 HydrophobicContact CG1-CG 4.36Å; V564-Q568 WeakPolarHBondContact O-CB 3.41Å; V564-Q568 WeakPolarHBondContact O-CG 3.44Å; V564-Q568 PolarHBondContact O-N 3.21Å; Q566-Q568 PolarHBondContact O-N 2.79Å; Q568-K572 WeakPolarHBondContact O-CD 3.29Å; Q568-K572 VanDerWaalsContact O-CG 3.28Å; Q568-K572 WeakPolarHBondContact O-CG 3.27Å; Q568-K572 PolarHBondContact O-N 2.88Å |
| 569 | N | 92.3 | Very high | 92.2 | Very high | 86 Ų | 86 | 106.1 Ų | 106.1 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -80.8 | -46.4 | 172.1 | -68.5 | -17.5 | 0 | 0 | 0 | 110.2 | S565 Q566 L571 K572 D573 | S565-N569 PolarHBondContact O-N 3.31Å; Q566-N569 WeakPolarHBondContact O-CA 3.37Å; Q566-N569 WeakPolarHBondContact O-CB 3.4Å; Q566-N569 PolarHBondContact O-N 3.21Å; N569-L571 PolarHBondContact O-N 2.8Å; N569-K572 WeakPolarHBondContact O-CA 3.36Å; N569-K572 WeakPolarHBondContact O-CB 3.42Å; N569-K572 PolarHBondContact O-N 3.44Å; N569-D573 PolarHBondContact O-N 3.32Å |
| 570 | D | 94.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54.1 | -41.5 | 175.1 | -56 | -28.2 | 0 | 0 | 0 | 111.2 | Q566 D573 C574 | Q566-D570 VanDerWaalsContact O-CG 3.24Å; Q566-D570 PolarHBondContact O-N 2.89Å; D570-D573 PolarHBondContact O-N 3.44Å; D570-C574 WeakPolarHBondContact O-CB 3.48Å; D570-C574 PolarHBondContact O-N 3.17Å; D570-C574 PolarHBondContact O-SG 2.81Å |
| 571 | L | 93.2 | Very high | 91.1 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.5 | -35 | 177.2 | -170 | 150 | 0 | 0 | 0 | 112.8 | L567 N569 H575 | L567-L571 WeakPolarHBondContact O-CB 3.45Å; L567-L571 PolarHBondContact O-N 2.89Å; N569-L571 PolarHBondContact O-N 2.8Å; L571-H575 WeakPolarHBondContact O-CB 3.38Å; L571-H575 PolarHBondContact O-N 3.46Å |
| 572 | K | 93.5 | Very high | 90 | Very high | 130 Ų | 130 | 104.1 Ų | 104.1 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 172.1 | -75.9 | 168.4 | -175.8 | 171.1 | 0 | 111.6 | Q568 N569 C574 H575 K576 | Q568-K572 WeakPolarHBondContact O-CD 3.29Å; Q568-K572 VanDerWaalsContact O-CG 3.28Å; Q568-K572 WeakPolarHBondContact O-CG 3.27Å; Q568-K572 PolarHBondContact O-N 2.88Å; N569-K572 WeakPolarHBondContact O-CA 3.36Å; N569-K572 WeakPolarHBondContact O-CB 3.42Å; N569-K572 PolarHBondContact O-N 3.44Å; K572-C574 VanDerWaalsContact C-N 3.32Å; K572-C574 PolarHBondContact O-N 3.44Å; K572-H575 PolarHBondContact O-N 3.04Å; K572-H575 VanDerWaalsContact O-N 3.15Å; K572-K576 WeakPolarHBondContact O-CB 3.42Å; K572-K576 PolarHBondContact O-N 3.4Å |
| 573 | D | 91.9 | Very high | 88.3 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 179.4 | -72.2 | -8.3 | 0 | 0 | 0 | 111.2 | N569 D570 K577 | N569-D573 PolarHBondContact O-N 3.32Å; D570-D573 PolarHBondContact O-N 3.44Å; D573-K577 WeakPolarHBondContact O-CB 3.21Å; D573-K577 VanDerWaalsContact O-CG 3.27Å; D573-K577 WeakPolarHBondContact O-CG 3.46Å; D573-K577 PolarHBondContact O-N 2.89Å |
| 574 | C | 88.9 | Confident | 86 | Confident | 71 Ų | 71 | 109.7 Ų | 109.7 | 48% | 0.48 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 168.2 | -75.2 | 0 | 0 | 0 | 0 | 112.5 | D570 K572 K577 I578 | D570-C574 WeakPolarHBondContact O-CB 3.48Å; D570-C574 PolarHBondContact O-N 3.17Å; D570-C574 PolarHBondContact O-SG 2.81Å; K572-C574 VanDerWaalsContact C-N 3.32Å; K572-C574 PolarHBondContact O-N 3.44Å; C574-K577 PolarHBondContact O-N 3.41Å; C574-I578 VanDerWaalsContact O-CG1 3.32Å; C574-I578 WeakPolarHBondContact O-CG1 3.48Å; C574-I578 PolarHBondContact O-N 3.12Å |
| 575 | H | 89.9 | Confident | 85.5 | Confident | 123 Ų | 123 | 111.4 Ų | 111.4 | 57% | 0.569 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.6 | -43.3 | 177.5 | -154.5 | 76.5 | 0 | 0 | 0 | 111.4 | L571 K572 I578 E579 | L571-H575 WeakPolarHBondContact O-CB 3.38Å; L571-H575 PolarHBondContact O-N 3.46Å; K572-H575 PolarHBondContact O-N 3.04Å; K572-H575 VanDerWaalsContact O-N 3.15Å; H575-I578 WeakPolarHBondContact O-CB 3.39Å; H575-I578 PolarHBondContact O-N 3.17Å; H575-I578 VanDerWaalsContact O-N 3.13Å; H575-E579 PolarHBondContact O-N 3.47Å |
| 576 | K | 90.2 | Very high | 85.1 | Confident | 121 Ų | 121 | 114.1 Ų | 114.1 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.5 | -45.9 | 174.2 | -167.2 | -165.7 | 169.3 | -169.6 | 0 | 111.3 | K572 I578 E579 D580 | K572-K576 WeakPolarHBondContact O-CB 3.42Å; K572-K576 PolarHBondContact O-N 3.4Å; K576-I578 PolarHBondContact O-N 3.1Å; K576-E579 CarbonylContact O-C 3.56Å; K576-E579 WeakPolarHBondContact O-CA 3.47Å; K576-E579 WeakPolarHBondContact O-CB 3.43Å; K576-E579 PolarHBondContact O-N 2.93Å; K576-D580 WeakPolarHBondContact O-CB 3.47Å; K576-D580 PolarHBondContact O-N 2.84Å |
| 577 | K | 88.9 | Confident | 84.7 | Confident | 132 Ų | 132 | 114.7 Ų | 114.7 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.9 | -33.7 | 174.6 | -76.6 | 169.4 | -179 | 173.4 | 0 | 113.1 | D573 C574 L581 | D573-K577 WeakPolarHBondContact O-CB 3.21Å; D573-K577 VanDerWaalsContact O-CG 3.27Å; D573-K577 WeakPolarHBondContact O-CG 3.46Å; D573-K577 PolarHBondContact O-N 2.89Å; C574-K577 PolarHBondContact O-N 3.41Å; K577-L581 VanDerWaalsContact O-CB 3.27Å; K577-L581 WeakPolarHBondContact O-CB 3.21Å; K577-L581 WeakPolarHBondContact O-CD1 3.37Å; K577-L581 WeakPolarHBondContact O-CG 3.43Å; K577-L581 PolarHBondContact O-N 2.81Å; K577-L581 VanDerWaalsContact O-N 3.07Å |
| 578 | I | 87.3 | Confident | 84 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 45% | 0.451 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73 | -34.5 | 174.8 | -68.4 | 163 | 0 | 0 | 0 | 111.2 | C574 H575 K576 L581 H582 | C574-I578 VanDerWaalsContact O-CG1 3.32Å; C574-I578 WeakPolarHBondContact O-CG1 3.48Å; C574-I578 PolarHBondContact O-N 3.12Å; H575-I578 WeakPolarHBondContact O-CB 3.39Å; H575-I578 PolarHBondContact O-N 3.17Å; H575-I578 VanDerWaalsContact O-N 3.13Å; K576-I578 PolarHBondContact O-N 3.1Å; I578-L581 PolarHBondContact O-N 3.32Å; I578-H582 PolarHBondContact O-N 3.41Å; I578-H582 VanDerWaalsContact O-N 3.12Å; I578-H582 PolarHBondContact O-ND1 3.46Å; I578-H582 VanDerWaalsContact O-ND1 3.1Å |
| 579 | E | 85.5 | Confident | 83.4 | Confident | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.7 | -44.6 | 175.8 | -165.3 | 165.7 | -148 | 0 | 0 | 111.6 | H575 K576 L581 H582 Q583 | H575-E579 PolarHBondContact O-N 3.47Å; K576-E579 CarbonylContact O-C 3.56Å; K576-E579 WeakPolarHBondContact O-CA 3.47Å; K576-E579 WeakPolarHBondContact O-CB 3.43Å; K576-E579 PolarHBondContact O-N 2.93Å; E579-L581 VanDerWaalsContact C-N 3.25Å; E579-L581 PolarHBondContact O-N 3.07Å; E579-H582 PolarHBondContact O-N 3.29Å; E579-Q583 PolarHBondContact O-N 2.96Å |
| 580 | D | 83.4 | Confident | 82.8 | Confident | 81 Ų | 81 | 118 Ų | 118 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.6 | -36.5 | 171.1 | -64 | -30.9 | 0 | 0 | 0 | 111 | K576 | K576-D580 WeakPolarHBondContact O-CB 3.47Å; K576-D580 PolarHBondContact O-N 2.84Å |
| 581 | L | 80.4 | Confident | 82 | Confident | 133 Ų | 133 | 121.4 Ų | 121.4 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -11.5 | 175.7 | -76 | 170 | 0 | 0 | 0 | 114.8 | K577 I578 E579 | K577-L581 VanDerWaalsContact O-CB 3.27Å; K577-L581 WeakPolarHBondContact O-CB 3.21Å; K577-L581 WeakPolarHBondContact O-CD1 3.37Å; K577-L581 WeakPolarHBondContact O-CG 3.43Å; K577-L581 PolarHBondContact O-N 2.81Å; K577-L581 VanDerWaalsContact O-N 3.07Å; I578-L581 PolarHBondContact O-N 3.32Å; E579-L581 VanDerWaalsContact C-N 3.25Å; E579-L581 PolarHBondContact O-N 3.07Å |
| 582 | H | 70.8 | Confident | 81.2 | Confident | 153 Ų | 153 | 121.5 Ų | 121.5 | 71% | 0.708 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 1 | 173.3 | -77.5 | 139.3 | 0 | 0 | 0 | 113 | I578 E579 | I578-H582 PolarHBondContact O-N 3.41Å; I578-H582 VanDerWaalsContact O-N 3.12Å; I578-H582 PolarHBondContact O-ND1 3.46Å; I578-H582 VanDerWaalsContact O-ND1 3.1Å; E579-H582 PolarHBondContact O-N 3.29Å |
| 583 | Q | 57.4 | Low | 80.1 | Confident | 158 Ų | 158 | 120.8 Ų | 120.8 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | trans | -103.1 | 21.2 | 174.7 | -68.5 | -173.8 | 6.3 | 0 | 0 | 113 | E579 | E579-Q583 PolarHBondContact O-N 2.96Š| ||
| 584 | V | 46.9 | Very low | 79.1 | Confident | 185 Ų | 185 | 123.1 Ų | 123.1 | 100% | 1.121 | 62% | 0.619 | S | S | * | * | trans | -123.2 | 0 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 584 of 584 residues in 432.7 ms
(Link to these results)