| 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 | 41.6 | Very low | 43 | Very low | 235 Ų | 235 | 136 Ų | 136 | 100% | 1.158 | 84% | 0.841 | S | S | * | * | 0 | 142.2 | 0 | -69.4 | 148.2 | 70.1 | 0 | 0 | 107.5 | |||||
| 2 | S | 38.7 | Very low | 43.1 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | 27.9 | 121.1 | 163.1 | 55.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | G | 41.2 | Very low | 43.1 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | -176.3 | -167.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | S | 49.9 | Very low | 43.6 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | cis | -152.4 | 160.4 | 5.7 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | H | 39.4 | Very low | 43.8 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | trans | -101.4 | 137.3 | 179.3 | -72.4 | -122.4 | 0 | 0 | 0 | 113 | ||||
| 6 | S | 43 | Very low | 44 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -177.5 | 131 | 144.1 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | S | 39.8 | Very low | 44.5 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | cis | 61.2 | 118.3 | 29.6 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 8 | S | 38.9 | Very low | 44.6 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | cis | -161.3 | 176.1 | -5 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | D | 48 | Very low | 44.5 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | 152.3 | 155.8 | 133.1 | -73.9 | -0.1 | 0 | 0 | 0 | 113 | ||||
| 10 | D | 40.4 | Very low | 44.6 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -67.8 | 131.2 | -173.2 | -89.5 | -97.9 | 0 | 0 | 0 | 114.7 | ||||
| 11 | S | 51.7 | Low | 44.9 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -162.7 | 130.8 | 133.2 | -86.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 12 | S | 45 | Very low | 44.9 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -85.1 | 122.5 | -176.7 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | D | 42.2 | Very low | 45.2 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 55% | 0.545 | 80% | 0.795 | S | S | . | * | trans | -132 | 69 | 154.5 | -174.1 | 14.8 | 0 | 0 | 0 | 111 | R15 | D13-R15 VanDerWaalsContact C-N 3.26Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 IonicContact OD1-NE 2.68Å; D13-R15 IonicContact OD2-CZ 3.13Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 PolarHBondContact OD2-NE 3.42Å; D13-R15 IonicContact OD2-NH2 2.66Å; D13-R15 PolarHBondContact OD2-NH2 2.88Å | ||
| 14 | S | 50.4 | Low | 45.7 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -70.3 | 87.9 | 162.3 | -76.1 | 0 | 0 | 0 | 0 | 108.8 | K16 | S14-K16 WeakPolarHBondContact O-CB 3.24Å; S14-K16 PolarHBondContact O-N 2.86Å | ||
| 15 | R | 47.5 | Very low | 45.5 | Very low | 216 Ų | 216 | 151.8 Ų | 151.8 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -71.9 | 51.6 | 176.3 | -126.6 | 177.2 | -70.3 | 165.9 | -2 | 113.2 | D13 R17 | D13-R15 VanDerWaalsContact C-N 3.26Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 IonicContact OD1-NE 2.68Å; D13-R15 IonicContact OD2-CZ 3.13Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 PolarHBondContact OD2-NE 3.42Å; D13-R15 IonicContact OD2-NH2 2.66Å; D13-R15 PolarHBondContact OD2-NH2 2.88Å; R15-R17 PolarHBondContact O-N 3.42Å | ||
| 16 | K | 46.6 | Very low | 45.5 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.9 | 167.4 | -167.1 | 173.2 | -168.9 | 168.9 | 0 | 107.2 | S14 | S14-K16 WeakPolarHBondContact O-CB 3.24Å; S14-K16 PolarHBondContact O-N 2.86Å |
| 17 | R | 51.6 | Low | 45.5 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 129.8 | 171.3 | -71 | -179 | 179.9 | 163.1 | -0.1 | 108 | R15 R19 | R15-R17 PolarHBondContact O-N 3.42Å; R17-R19 PolarHBondContact O-N 3.16Å |
| 18 | P | 46.9 | Very low | 45.6 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 129.3 | 178 | -28 | 35.4 | 0 | 0 | 0 | 109.8 | E20 | P18-E20 VanDerWaalsContact C-N 3.28Å; P18-E20 PolarHBondContact O-N 2.98Å; P18-E20 VanDerWaalsContact O-N 3.08Å |
| 19 | R | 42.5 | Very low | 45.8 | Very low | 230 Ų | 230 | 151.2 Ų | 151.2 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 100.6 | 155.9 | -87.1 | -176.4 | 168.2 | 150.1 | -3.4 | 105.1 | R17 K21 | R17-R19 PolarHBondContact O-N 3.16Å; R19-K21 PolarHBondContact O-N 2.94Å; R19-K21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | E | 47.8 | Very low | 45 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -55.1 | 119.1 | 166.7 | -69.6 | 173.9 | 151.1 | 0 | 0 | 106.8 | P18 | P18-E20 VanDerWaalsContact C-N 3.28Å; P18-E20 PolarHBondContact O-N 2.98Å; P18-E20 VanDerWaalsContact O-N 3.08Å | ||
| 21 | K | 49.7 | Very low | 45.1 | Very low | 173 Ų | 173 | 155.8 Ų | 155.8 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 137.2 | 178.1 | -61 | 175.3 | -177.8 | 176.3 | 0 | 107.6 | R19 M23 | R19-K21 PolarHBondContact O-N 2.94Å; R19-K21 VanDerWaalsContact O-N 3.16Å; K21-M23 WeakPolarHBondContact O-CG 3.14Å; K21-M23 PolarHBondContact O-N 3.47Å | ||
| 22 | D | 42.2 | Very low | 44.3 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | 20.5 | 76.6 | 141.3 | -44.9 | -69.1 | 0 | 0 | 0 | 114.5 | ||||
| 23 | M | 45.5 | Very low | 43.6 | Very low | 161 Ų | 161 | 156 Ų | 156 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -126.4 | 142.9 | 168.5 | -77.5 | -124.7 | 66.6 | 0 | 0 | 108.3 | K21 | K21-M23 WeakPolarHBondContact O-CG 3.14Å; K21-M23 PolarHBondContact O-N 3.47Å | ||
| 24 | D | 50.1 | Low | 43.3 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -66.7 | 146.3 | -156.8 | -54.1 | -94.1 | 0 | 0 | 0 | 114.2 | D26 | D24-D26 PolarHBondContact O-N 3.38Š| ||
| 25 | P | 46.1 | Very low | 43.5 | Very low | 137 Ų | 137 | 156.5 Ų | 156.5 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 37.6 | -173 | 34.6 | -38.6 | 0 | 0 | 0 | 114 | ||
| 26 | D | 39.4 | Very low | 44.5 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | 18.5 | -169.8 | -128.3 | -20.3 | 0 | 0 | 0 | 115.6 | D24 | D24-D26 PolarHBondContact O-N 3.38Š|
| 27 | T | 44 | Very low | 46.2 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -131.2 | 50.5 | 168.4 | -37 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 28 | S | 42 | Very low | 48 | Very low | 87 Ų | 87 | 137.1 Ų | 137.1 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | trans | -63.9 | 137 | 154.4 | 73.7 | 0 | 0 | 0 | 0 | 108.5 | K30 | S28-K30 PolarHBondContact O-N 2.81Š| ||
| 29 | P | 42.9 | Very low | 50.1 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 69% | 0.685 | S | S | * | * | trans | -70.1 | 83.6 | 164.5 | 30.1 | -32.6 | 0 | 0 | 0 | 107.4 | R31 | P29-R31 PolarHBondContact O-N 3.49Š| ||
| 30 | K | 31.8 | Very low | 52.5 | Low | 180 Ų | 180 | 122.8 Ų | 122.8 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | trans | -47.1 | 118.4 | 162 | -84.3 | 178.8 | 176.8 | 168.6 | 0 | 105.6 | S28 | S28-K30 PolarHBondContact O-N 2.81Š| ||
| 31 | R | 40.6 | Very low | 54.6 | Low | 226 Ų | 226 | 114.5 Ų | 114.5 | 85% | 0.853 | 61% | 0.605 | S | S | * | * | trans | -45.6 | 135.7 | 158.9 | -63.8 | 175.9 | 179.5 | 172.4 | -0.7 | 105.8 | P29 N33 | P29-R31 PolarHBondContact O-N 3.49Å; R31-N33 PolarHBondContact O-N 3.45Å | ||
| 32 | P | 36.6 | Very low | 56.6 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 78% | 0.779 | 57% | 0.569 | S | S | * | * | trans | -62.9 | 91.7 | 176 | 25.1 | -32.7 | 0 | 0 | 0 | 108.4 | C34 | P32-C34 PolarHBondContact O-N 2.89Š| ||
| 33 | N | 30.4 | Very low | 59 | Low | 124 Ų | 124 | 98.7 Ų | 98.7 | 66% | 0.663 | 53% | 0.529 | S | S | * | . | trans | -76.6 | 61.6 | 170.5 | -169 | 77.1 | 0 | 0 | 0 | 106.8 | R31 E35 | R31-N33 PolarHBondContact O-N 3.45Å; N33-E35 VanDerWaalsContact ND2-CD 3.32Å; N33-E35 VanDerWaalsContact ND2-CG 3.29Å; N33-E35 WeakPolarHBondContact ND2-CG 3.48Å; N33-E35 PolarHBondContact ND2-OE1 2.92Å; N33-E35 PolarHBondContact O-N 3.22Å | ||
| 34 | C | 34.7 | Very low | 61.2 | Low | 56 Ų | 56 | 91 Ų | 91 | 38% | 0.378 | 49% | 0.491 | S | S | . | . | trans | -75 | 102.6 | 167.7 | -173.8 | 0 | 0 | 0 | 0 | 104.7 | P32 D36 N37 | P32-C34 PolarHBondContact O-N 2.89Å; C34-D36 PolarHBondContact O-N 3.43Å; C34-D36 PolarHBondContact SG-OD2 3.18Å; C34-D36 VanDerWaalsContact SG-OD2 3.34Å; C34-N37 PolarHBondContact O-ND2 3.31Å | ||
| 35 | E | 54.2 | Low | 63.2 | Low | 164 Ų | 164 | 86.7 Ų | 86.7 | 77% | 0.766 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.5 | -6 | -176.1 | -59.2 | -174.4 | 142.8 | 0 | 0 | 110.7 | N33 N37 | N33-E35 VanDerWaalsContact ND2-CD 3.32Å; N33-E35 VanDerWaalsContact ND2-CG 3.29Å; N33-E35 WeakPolarHBondContact ND2-CG 3.48Å; N33-E35 PolarHBondContact ND2-OE1 2.92Å; N33-E35 PolarHBondContact O-N 3.22Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.36Å |
| 36 | D | 69 | Low | 65.1 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | trans | -88.4 | 27.8 | -179.3 | -35 | -84.9 | 0 | 0 | 0 | 114 | C34 V38 | C34-D36 PolarHBondContact O-N 3.43Å; C34-D36 PolarHBondContact SG-OD2 3.18Å; C34-D36 VanDerWaalsContact SG-OD2 3.34Å; D36-V38 PolarHBondContact O-N 3.03Å; D36-V38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | N | 83.5 | Confident | 67.4 | Low | 88 Ų | 88 | 80.7 Ų | 80.7 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | trans | -77.5 | 93.7 | 178.8 | -91.9 | -85.5 | 0 | 0 | 0 | 111.7 | C34 E35 G92 | C34-N37 PolarHBondContact O-ND2 3.31Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.36Å; N37-G92 CarbonylContact C-O 3.53Å | ||
| 38 | V | 89.2 | Confident | 69.5 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 144.2 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | D36 I91 G92 F94 V97 L196 I199 A200 | D36-V38 PolarHBondContact O-N 3.03Å; D36-V38 VanDerWaalsContact O-N 3.12Å; V38-I91 WeakPolarHBondContact O-CA 3.46Å; V38-G92 PolarHBondContact N-O 3.5Å; V38-G92 PolarHBondContact O-N 3.28Å; V38-G92 VanDerWaalsContact O-N 3.12Å; V38-F94 HydrophobicContact CG2-CB 4.28Å; V38-F94 HydrophobicContact CG2-CD2 4.42Å; V38-V97 HydrophobicContact CB-CG2 4.46Å; V38-L196 HydrophobicContact CG1-CD2 4.16Å; V38-I199 HydrophobicContact CG1-CG2 3.99Å; V38-A200 HydrophobicContact CG2-CB 3.8Å |
| 39 | Q | 90 | Very high | 71.9 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.7 | 173.5 | -56 | -169 | 26.5 | 0 | 0 | 110.1 | I90 I91 I199 | Q39-I90 WeakPolarHBondContact CA-O 3.47Å; Q39-I91 HydrophobicContact CG-CD1 4.46Å; Q39-I91 HydrophobicContact CG-CG1 4.04Å; Q39-I91 HydrophobicContact CG-CG2 4.18Å; Q39-I199 WeakPolarHBondContact O-CG2 3.36Å |
| 40 | L | 92.2 | Very high | 74.2 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.3 | 176.3 | 178.8 | 65.5 | 0 | 0 | 0 | 109.9 | I42 I90 V97 H101 I134 L196 I199 | L40-I42 HydrophobicContact CD2-CD1 3.9Å; L40-I42 HydrophobicContact CD2-CG1 4.03Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4Å; L40-I90 HydrophobicContact CB-CB 4.47Å; L40-I90 HydrophobicContact CD2-CD1 4.17Å; L40-I90 PolarHBondContact N-O 2.84Å; L40-I90 PolarHBondContact O-N 3.27Å; L40-V97 HydrophobicContact CB-CG1 3.6Å; L40-V97 HydrophobicContact CD2-CG1 3.78Å; L40-V97 HydrophobicContact CG-CG1 4.32Å; L40-H101 HydrophobicContact CD2-CB 4.21Å; L40-I134 HydrophobicContact CD1-CD1 4.32Å; L40-I134 HydrophobicContact CD1-CG1 4.36Å; L40-I134 HydrophobicContact CD1-CG2 3.67Å; L40-L196 HydrophobicContact CB-CD2 4.19Å; L40-L196 HydrophobicContact CD1-CD2 4.04Å; L40-L196 HydrophobicContact CD2-CD1 4.34Å; L40-L196 HydrophobicContact CD2-CD2 4.15Å; L40-L196 HydrophobicContact CG-CD2 4.35Å; L40-I199 HydrophobicContact CD1-CD1 3.91Å |
| 41 | K | 92 | Very high | 77 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.2 | 170.9 | -72.9 | -173.6 | -175.6 | -174.2 | 0 | 111.3 | C88 L89 I134 L135 E176 C208 N210 | K41-C88 CarbonylContact C-O 3.43Å; K41-C88 VanDerWaalsContact CA-O 3.29Å; K41-C88 WeakPolarHBondContact CA-O 2.8Å; K41-L89 HydrophobicContact CG-CD1 3.65Å; K41-I134 CarbonylContact O-C 3.58Å; K41-I134 VanDerWaalsContact O-CA 3.26Å; K41-I134 WeakPolarHBondContact O-CA 3.19Å; K41-I134 WeakPolarHBondContact O-CG2 3.36Å; K41-L135 HydrophobicContact CB-CB 3.76Å; K41-L135 HydrophobicContact CB-CD1 4.48Å; K41-L135 HydrophobicContact CB-CG 4.42Å; K41-L135 HydrophobicContact CD-CB 4.07Å; K41-L135 HydrophobicContact CD-CD1 4.2Å; K41-L135 PolarHBondContact O-N 3.36Å; K41-E176 VanDerWaalsContact CD-OE2 3.26Å; K41-E176 WeakPolarHBondContact CD-OE2 3.46Å; K41-E176 IonicContact NZ-OE1 3.88Å; K41-E176 PolarHBondContact NZ-OE1 2.84Å; K41-E176 IonicContact NZ-OE2 3.54Å; K41-E176 PolarHBondContact NZ-OE2 2.72Å; K41-C208 WeakPolarHBondContact CE-O 3.43Å; K41-C208 PolarHBondContact NZ-O 3.42Å; K41-N210 WeakPolarHBondContact CE-O 3.29Å; K41-N210 PolarHBondContact NZ-O 2.89Å |
| 42 | I | 93.3 | Very high | 79.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138 | -179.4 | -49.5 | 177.6 | 0 | 0 | 0 | 109 | L40 V44 C88 I90 I104 M105 V132 K133 | L40-I42 HydrophobicContact CD2-CD1 3.9Å; L40-I42 HydrophobicContact CD2-CG1 4.03Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4Å; I42-V44 HydrophobicContact CG2-CG2 4.2Å; I42-C88 HydrophobicContact CB-CB 4.44Å; I42-C88 PolarHBondContact N-O 2.63Å; I42-C88 PolarHBondContact O-N 3.47Å; I42-I90 HydrophobicContact CD1-CD1 3.63Å; I42-I90 HydrophobicContact CG1-CD1 4.34Å; I42-I104 HydrophobicContact CD1-CD1 4.21Å; I42-M105 HydrophobicContact CD1-CE 3.82Å; I42-M105 HydrophobicContact CG2-CE 3.88Å; I42-V132 HydrophobicContact CG2-CG1 4.5Å; I42-K133 CarbonylContact C-O 3.53Å; I42-K133 VanDerWaalsContact CA-O 3.29Å; I42-K133 WeakPolarHBondContact CA-O 3.38Å; I42-K133 WeakPolarHBondContact CG2-O 3.42Å |
| 43 | L | 92.4 | Very high | 82.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.7 | 165.4 | -58.4 | -175.8 | 0 | 0 | 0 | 109.3 | Y80 T83 E85 V87 K133 L135 | L43-Y80 HydrophobicContact CD1-CD1 4.05Å; L43-Y80 HydrophobicContact CD1-CG 4.14Å; L43-Y80 VanDerWaalsContact CD2-CB 3.49Å; L43-Y80 HydrophobicContact CD2-CD2 4.26Å; L43-Y80 HydrophobicContact CD2-CG 3.89Å; L43-T83 HydrophobicContact CD1-CG2 4.29Å; L43-E85 HydrophobicContact CB-CB 3.89Å; L43-V87 HydrophobicContact CD2-CG2 3.84Å; L43-K133 HydrophobicContact CB-CB 3.8Å; L43-K133 HydrophobicContact CB-CD 4.38Å; L43-K133 HydrophobicContact CD1-CB 4.21Å; L43-K133 HydrophobicContact CD1-CD 4.19Å; L43-K133 HydrophobicContact CG-CB 4.19Å; L43-K133 PolarHBondContact N-O 3.19Å; L43-L135 HydrophobicContact CD1-CD2 4.2Å; L43-L135 HydrophobicContact CD2-CD1 3.9Å; L43-L135 HydrophobicContact CD2-CD2 4.29Å; L43-L135 HydrophobicContact CD2-CG 4.09Å; L43-L135 HydrophobicContact CG-CD2 4.2Å; L43-L135 HydrophobicContact CG-CG 4.25Å |
| 44 | V | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.2 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | I42 A48 A49 V52 R86 C88 I104 I108 | I42-V44 HydrophobicContact CG2-CG2 4.2Å; V44-A48 HydrophobicContact CG1-CB 4.36Å; V44-A49 HydrophobicContact CG1-CB 4.05Å; V44-V52 HydrophobicContact CG1-CG2 4.41Å; V44-R86 PolarHBondContact N-O 3.29Å; V44-R86 PolarHBondContact O-N 2.93Å; V44-C88 HydrophobicContact CG2-CB 3.77Å; V44-I104 HydrophobicContact CG2-CG2 3.97Å; V44-I108 HydrophobicContact CG1-CD1 4.41Å; V44-I108 HydrophobicContact CG1-CG1 4.49Å |
| 45 | P | 90.6 | Very high | 87.9 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 25% | 0.253 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.5 | 178.4 | 25.5 | -32.2 | 0 | 0 | 0 | 110.7 | I47 A48 A49 E85 | P45-I47 PolarHBondContact O-N 3.06Å; P45-A48 HydrophobicContact CG-CB 3.96Å; P45-A48 PolarHBondContact O-N 3.28Å; P45-A49 PolarHBondContact O-N 3.49Å; P45-E85 HydrophobicContact CB-CG 4.48Å |
| 46 | S | 87.3 | Confident | 89.6 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.5 | -29.1 | -170.9 | -63.2 | 0 | 0 | 0 | 0 | 114.5 | F79 T84 | S46-F79 WeakPolarHBondContact OG-CE1 3.41Å; S46-T84 PolarHBondContact OG-O 3.27Å |
| 47 | I | 87.1 | Confident | 90.7 | Very high | 109 Ų | 109 | 40 Ų | 40 | 56% | 0.559 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.2 | -44.6 | 176.6 | -63.4 | 167.3 | 0 | 0 | 0 | 111.1 | P45 D113 | P45-I47 PolarHBondContact O-N 3.06Å; I47-D113 WeakPolarHBondContact CD1-OD1 3.19Å |
| 48 | A | 88.9 | Confident | 91.3 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.4 | -29.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V44 P45 G50 A51 V52 I108 | V44-A48 HydrophobicContact CG1-CB 4.36Å; P45-A48 HydrophobicContact CG-CB 3.96Å; P45-A48 PolarHBondContact O-N 3.28Å; A48-G50 PolarHBondContact O-N 3.23Å; A48-G50 VanDerWaalsContact O-N 3.15Å; A48-A51 WeakPolarHBondContact O-CA 3.49Å; A48-A51 VanDerWaalsContact O-CB 3.28Å; A48-A51 WeakPolarHBondContact O-CB 3.43Å; A48-A51 PolarHBondContact O-N 3.17Å; A48-V52 PolarHBondContact O-N 2.95Å; A48-I108 HydrophobicContact CB-CB 4.3Å; A48-I108 HydrophobicContact CB-CG1 3.69Å |
| 49 | A | 90.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -33.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V44 P45 A51 V52 I53 | V44-A49 HydrophobicContact CG1-CB 4.05Å; P45-A49 PolarHBondContact O-N 3.49Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-V52 PolarHBondContact O-N 3.42Å; A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.49Å |
| 50 | G | 91.2 | Very high | 91.7 | Very high | 46 Ų | 46 | 40 Ų | 40 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -29.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A48 G54 | A48-G50 PolarHBondContact O-N 3.23Å; A48-G50 VanDerWaalsContact O-N 3.15Å; G50-G54 PolarHBondContact O-N 3.25Å; G50-G54 VanDerWaalsContact O-N 3.13Å |
| 51 | A | 91.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.7 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A48 A49 G54 R107 K111 | A48-A51 WeakPolarHBondContact O-CA 3.49Å; A48-A51 VanDerWaalsContact O-CB 3.28Å; A48-A51 WeakPolarHBondContact O-CB 3.43Å; A48-A51 PolarHBondContact O-N 3.17Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A51-G54 PolarHBondContact O-N 3.26Å; A51-R107 HydrophobicContact CB-CB 4.33Å; A51-K111 HydrophobicContact CB-CD 3.89Å |
| 52 | V | 93.1 | Very high | 92 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | V44 A48 A49 I73 I104 R107 | V44-V52 HydrophobicContact CG1-CG2 4.41Å; A48-V52 PolarHBondContact O-N 2.95Å; A49-V52 PolarHBondContact O-N 3.42Å; V52-I73 HydrophobicContact CG1-CD1 4.01Å; V52-I104 HydrophobicContact CG1-CG1 3.9Å; V52-I104 HydrophobicContact CG2-CG1 4.36Å; V52-I104 HydrophobicContact CG2-CG2 4.29Å; V52-R107 HydrophobicContact CG2-CB 3.75Å; V52-R107 HydrophobicContact CG2-CG 4.43Å |
| 53 | I | 93.2 | Very high | 92.1 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71 | -43 | 177.7 | -66.1 | 166.7 | 0 | 0 | 0 | 110.8 | A49 G57 A59 I60 I73 | A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.49Å; I53-G57 CarbonylContact O-C 3.57Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-A59 PolarHBondContact O-N 3.14Å; I53-I60 HydrophobicContact CB-CG2 4.43Å; I53-I60 HydrophobicContact CG2-CG2 4.15Å; I53-I60 WeakPolarHBondContact O-CG2 3.31Å; I53-I60 PolarHBondContact O-N 3.18Å; I53-I73 HydrophobicContact CD1-CD1 4.16Å; I53-I73 HydrophobicContact CG1-CD1 3.74Å |
| 54 | G | 91.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | 73.9 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G50 A51 S56 G57 | G50-G54 PolarHBondContact O-N 3.25Å; G50-G54 VanDerWaalsContact O-N 3.13Å; A51-G54 PolarHBondContact O-N 3.26Å; G54-S56 PolarHBondContact O-N 3.15Å; G54-G57 PolarHBondContact O-N 2.89Å | ||
| 55 | K | 92.3 | Very high | 92.3 | Very high | 188 Ų | 188 | 59 Ų | 59 | 82% | 0.817 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -62.1 | 130.7 | 178.9 | -61.8 | 178.3 | -176.9 | 178 | 0 | 109.3 | G57 E58 | K55-G57 PolarHBondContact O-N 3.5Å; K55-E58 VanDerWaalsContact O-CB 3.26Å; K55-E58 WeakPolarHBondContact O-CB 3.2Å; K55-E58 PolarHBondContact O-N 3.44Å |
| 56 | S | 91.1 | Very high | 92.6 | Very high | 136 Ų | 136 | 62.5 Ų | 62.5 | 95% | 0.951 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 53.6 | 19.7 | -178.3 | -51.6 | 0 | 0 | 0 | 0 | 115.9 | G54 E58 | G54-S56 PolarHBondContact O-N 3.15Å; S56-E58 PolarHBondContact O-N 3.31Å |
| 57 | G | 92.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | 72.4 | 11.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I53 G54 K55 A59 I60 G61 | I53-G57 CarbonylContact O-C 3.57Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; G54-G57 PolarHBondContact O-N 2.89Å; K55-G57 PolarHBondContact O-N 3.5Å; G57-A59 PolarHBondContact O-N 3.21Å; G57-I60 VanDerWaalsContact O-CG2 3.28Å; G57-I60 WeakPolarHBondContact O-CG2 3.5Å; G57-G61 PolarHBondContact O-N 2.89Å |
| 58 | E | 94.7 | Very high | 93.2 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | -175.5 | -172.3 | -174.3 | -163.6 | 0 | 0 | 112.2 | K55 S56 G61 R62 | K55-E58 VanDerWaalsContact O-CB 3.26Å; K55-E58 WeakPolarHBondContact O-CB 3.2Å; K55-E58 PolarHBondContact O-N 3.44Å; S56-E58 PolarHBondContact O-N 3.31Å; E58-G61 PolarHBondContact O-N 2.79Å; E58-R62 VanDerWaalsContact CD-NH2 3.25Å; E58-R62 VanDerWaalsContact O-CG 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.19Å; E58-R62 PolarHBondContact O-N 3.4Å; E58-R62 IonicContact OE1-CZ 2.76Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 PolarHBondContact OE1-NE 2.74Å; E58-R62 IonicContact OE1-NH2 3.86Å; E58-R62 PolarHBondContact OE1-NH2 2.63Å; E58-R62 IonicContact OE2-NH2 2.91Å |
| 59 | A | 94.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 63 Ų | 63 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I53 G57 G61 R62 I63 Y103 | I53-A59 PolarHBondContact O-N 3.14Å; G57-A59 PolarHBondContact O-N 3.21Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.18Å; A59-R62 PolarHBondContact O-N 2.83Å; A59-I63 PolarHBondContact O-N 3.24Å; A59-I63 VanDerWaalsContact O-N 3.11Å; A59-Y103 WeakPolarHBondContact CB-OH 3.26Å |
| 60 | I | 94.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 69.9 Ų | 69.9 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.4 | -25.6 | 173.1 | -168 | 162.1 | 0 | 0 | 0 | 112.8 | I53 G57 Q64 V71 I73 | I53-I60 HydrophobicContact CB-CG2 4.43Å; I53-I60 HydrophobicContact CG2-CG2 4.15Å; I53-I60 WeakPolarHBondContact O-CG2 3.31Å; I53-I60 PolarHBondContact O-N 3.18Å; G57-I60 VanDerWaalsContact O-CG2 3.28Å; G57-I60 WeakPolarHBondContact O-CG2 3.5Å; I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.34Å; I60-Q64 PolarHBondContact O-N 2.96Å; I60-Q64 PolarHBondContact O-NE2 2.81Å; I60-V71 HydrophobicContact CD1-CB 4.24Å; I60-V71 HydrophobicContact CD1-CG1 3.8Å; I60-V71 HydrophobicContact CG1-CB 4.3Å; I60-V71 HydrophobicContact CG1-CG1 4.31Å; I60-I73 HydrophobicContact CD1-CD1 3.7Å; I60-I73 HydrophobicContact CD1-CG1 4.19Å |
| 61 | G | 95.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G57 E58 A59 K65 | G57-G61 PolarHBondContact O-N 2.89Å; E58-G61 PolarHBondContact O-N 2.79Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.18Å; G61-K65 PolarHBondContact O-N 3.02Å |
| 62 | R | 95.5 | Very high | 93.7 | Very high | 142 Ų | 142 | 73.5 Ų | 73.5 | 54% | 0.536 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -58.4 | 173.6 | -70.6 | 171.4 | -174.8 | -161.9 | 5.7 | 110.8 | E58 A59 Q64 K65 D66 | E58-R62 VanDerWaalsContact CD-NH2 3.25Å; E58-R62 VanDerWaalsContact O-CG 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.19Å; E58-R62 PolarHBondContact O-N 3.4Å; E58-R62 IonicContact OE1-CZ 2.76Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 PolarHBondContact OE1-NE 2.74Å; E58-R62 IonicContact OE1-NH2 3.86Å; E58-R62 PolarHBondContact OE1-NH2 2.63Å; E58-R62 IonicContact OE2-NH2 2.91Å; A59-R62 PolarHBondContact O-N 2.83Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 3.29Å; R62-K65 WeakPolarHBondContact O-CA 3.22Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.24Å; R62-D66 PolarHBondContact O-N 3.07Å; R62-D66 VanDerWaalsContact O-OD2 3.13Å |
| 63 | I | 95 | Very high | 93.7 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.5 | -34.5 | -175.4 | -162.7 | 67.5 | 0 | 0 | 0 | 113 | A59 D66 T67 V100 Y103 | A59-I63 PolarHBondContact O-N 3.24Å; A59-I63 VanDerWaalsContact O-N 3.11Å; I63-D66 PolarHBondContact O-N 2.9Å; I63-T67 HydrophobicContact CD1-CG2 3.99Å; I63-T67 HydrophobicContact CG1-CG2 4.18Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 WeakPolarHBondContact O-CG2 3.49Å; I63-T67 PolarHBondContact O-N 2.88Å; I63-T67 PolarHBondContact O-OG1 3.03Å; I63-V100 HydrophobicContact CG1-CG2 4.12Å; I63-Y103 HydrophobicContact CD1-CD2 4.23Å; I63-Y103 HydrophobicContact CD1-CG 4.21Å; I63-Y103 HydrophobicContact CG1-CD1 4.36Å; I63-Y103 HydrophobicContact CG1-CG 4.14Å; I63-Y103 HydrophobicContact CG2-CD1 4.49Å |
| 64 | Q | 94.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 72.4 Ų | 72.4 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 173 | -82.6 | 179.2 | 93.8 | 0 | 0 | 112.5 | I60 R62 N68 T69 V71 | I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.34Å; I60-Q64 PolarHBondContact O-N 2.96Å; I60-Q64 PolarHBondContact O-NE2 2.81Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 3.29Å; Q64-N68 CarbonylContact O-C 3.59Å; Q64-N68 VanDerWaalsContact O-CA 3.25Å; Q64-N68 WeakPolarHBondContact O-CA 3.27Å; Q64-N68 PolarHBondContact O-N 3.22Å; Q64-T69 WeakPolarHBondContact CB-O 3.29Å; Q64-T69 WeakPolarHBondContact CG-O 3.43Å; Q64-T69 PolarHBondContact O-N 2.92Å; Q64-T69 VanDerWaalsContact O-N 3.15Å; Q64-V71 HydrophobicContact CG-CB 3.82Å; Q64-V71 HydrophobicContact CG-CG2 3.67Å; Q64-V71 PolarHBondContact OE1-O 3.37Å |
| 65 | K | 95 | Very high | 93.5 | Very high | 163 Ų | 163 | 77.4 Ų | 77.4 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 175.9 | -176.7 | -171.2 | 173.5 | -168.5 | 0 | 111.5 | G61 R62 N68 | G61-K65 PolarHBondContact O-N 3.02Å; R62-K65 WeakPolarHBondContact O-CA 3.22Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.24Å; K65-N68 PolarHBondContact O-N 2.87Å |
| 66 | D | 95.6 | Very high | 93.3 | Very high | 112 Ų | 112 | 75.3 Ų | 75.3 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.7 | -35.6 | -173.6 | -57.3 | -27.4 | 0 | 0 | 0 | 111.6 | R62 I63 | R62-D66 PolarHBondContact O-N 3.07Å; R62-D66 VanDerWaalsContact O-OD2 3.13Å; I63-D66 PolarHBondContact O-N 2.9Å |
| 67 | T | 93.7 | Very high | 93 | Very high | 18 Ų | 18 | 74.8 Ų | 74.8 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -94.6 | -5.3 | 177.8 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | I63 T69 T99 V100 | I63-T67 HydrophobicContact CD1-CG2 3.99Å; I63-T67 HydrophobicContact CG1-CG2 4.18Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 WeakPolarHBondContact O-CG2 3.49Å; I63-T67 PolarHBondContact O-N 2.88Å; I63-T67 PolarHBondContact O-OG1 3.03Å; T67-T69 PolarHBondContact O-N 2.78Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.46Å; T67-T69 PolarHBondContact OG1-OG1 2.94Å; T67-T99 HydrophobicContact CG2-CG2 3.54Å; T67-V100 HydrophobicContact CG2-CG2 4.06Å; T67-V100 WeakPolarHBondContact OG1-CG2 3.21Å |
| 68 | N | 93.3 | Very high | 92.6 | Very high | 142 Ų | 142 | 74.6 Ų | 74.6 | 76% | 0.759 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 30.1 | -170.4 | -62.2 | -88 | 0 | 0 | 0 | 114.1 | Q64 K65 | Q64-N68 CarbonylContact O-C 3.59Å; Q64-N68 VanDerWaalsContact O-CA 3.25Å; Q64-N68 WeakPolarHBondContact O-CA 3.27Å; Q64-N68 PolarHBondContact O-N 3.22Å; K65-N68 PolarHBondContact O-N 2.87Å |
| 69 | T | 93.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -98.3 | 162 | 177 | 61.2 | 0 | 0 | 0 | 0 | 112 | Q64 T67 I91 G96 V100 | Q64-T69 WeakPolarHBondContact CB-O 3.29Å; Q64-T69 WeakPolarHBondContact CG-O 3.43Å; Q64-T69 PolarHBondContact O-N 2.92Å; Q64-T69 VanDerWaalsContact O-N 3.15Å; T67-T69 PolarHBondContact O-N 2.78Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.46Å; T67-T69 PolarHBondContact OG1-OG1 2.94Å; T69-I91 WeakPolarHBondContact CA-O 3.41Å; T69-G96 VanDerWaalsContact CG2-C 3.48Å; T69-V100 HydrophobicContact CG2-CG2 4.07Å; T69-V100 VanDerWaalsContact OG1-CG2 3.28Å; T69-V100 WeakPolarHBondContact OG1-CG2 3.44Å | ||
| 70 | K | 93.2 | Very high | 91.8 | Very high | 145 Ų | 145 | 72.5 Ų | 72.5 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.8 | 169.7 | -175.7 | 176 | -174.9 | 174.4 | 0 | 109.2 | I91 | K70-I91 HydrophobicContact CB-CB 4.48Å; K70-I91 PolarHBondContact N-O 2.77Å; K70-I91 PolarHBondContact O-N 2.78Å |
| 71 | V | 94.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.5 | -179 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | I60 Q64 L89 I90 V100 | I60-V71 HydrophobicContact CD1-CB 4.24Å; I60-V71 HydrophobicContact CD1-CG1 3.8Å; I60-V71 HydrophobicContact CG1-CB 4.3Å; I60-V71 HydrophobicContact CG1-CG1 4.31Å; Q64-V71 HydrophobicContact CG-CB 3.82Å; Q64-V71 HydrophobicContact CG-CG2 3.67Å; Q64-V71 PolarHBondContact OE1-O 3.37Å; V71-L89 WeakPolarHBondContact CA-O 3.47Å; V71-I90 HydrophobicContact CG1-CG1 4.33Å; V71-I90 HydrophobicContact CG2-CG1 4.43Å; V71-I90 HydrophobicContact CG2-CG2 4.24Å; V71-V100 HydrophobicContact CG2-CG1 3.76Å; V71-V100 HydrophobicContact CG2-CG2 4.21Å |
| 72 | K | 92.7 | Very high | 90.2 | Very high | 120 Ų | 120 | 73.6 Ų | 73.6 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.3 | 176.9 | -174.6 | -174.4 | 169.6 | -174.5 | 0 | 109.7 | L89 L211 | K72-L89 PolarHBondContact N-O 2.96Å; K72-L89 PolarHBondContact O-N 2.95Å; K72-L211 HydrophobicContact CB-CD2 4.03Å; K72-L211 HydrophobicContact CD-CD1 3.85Å; K72-L211 HydrophobicContact CD-CD2 3.75Å; K72-L211 HydrophobicContact CD-CG 4.48Å; K72-L211 HydrophobicContact CG-CD2 3.69Å; K72-L211 WeakPolarHBondContact O-CD2 3.46Å |
| 73 | I | 92.5 | Very high | 89.6 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 145.1 | 174.8 | -57.1 | 172.7 | 0 | 0 | 0 | 108.5 | V52 I53 I60 R86 V87 C88 | V52-I73 HydrophobicContact CG1-CD1 4.01Å; I53-I73 HydrophobicContact CD1-CD1 4.16Å; I53-I73 HydrophobicContact CG1-CD1 3.74Å; I60-I73 HydrophobicContact CD1-CD1 3.7Å; I60-I73 HydrophobicContact CD1-CG1 4.19Å; I73-R86 HydrophobicContact CG2-CB 4.21Å; I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.46Å; I73-C88 HydrophobicContact CG1-CB 4.08Å |
| 74 | S | 91.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 164.5 | 172.3 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | E78 R86 V87 | S74-E78 WeakPolarHBondContact CA-OE2 3.49Å; S74-E78 VanDerWaalsContact CB-O 3.28Å; S74-E78 WeakPolarHBondContact CB-O 3.39Å; S74-E78 WeakPolarHBondContact CB-OE2 3.37Å; S74-E78 PolarHBondContact OG-O 3.46Å; S74-R86 PolarHBondContact O-NE 3.18Å; S74-R86 PolarHBondContact O-NH2 2.98Å; S74-R86 WeakPolarHBondContact OG-CA 3.44Å; S74-R86 WeakPolarHBondContact OG-CB 3.23Å; S74-V87 PolarHBondContact N-O 3.39Å; S74-V87 PolarHBondContact OG-N 3.41Å |
| 75 | K | 90 | Very high | 89 | Confident | 127 Ų | 127 | 70.7 Ų | 70.7 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 172.2 | 173.9 | -60.9 | 179.8 | -177.6 | 175.7 | 0 | 112 | D77 E78 R86 | K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.06Å; K75-E78 HydrophobicContact CB-CB 3.79Å; K75-E78 PolarHBondContact N-OE2 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; K75-R86 PolarHBondContact O-NE 2.9Å |
| 76 | Q | 88 | Confident | 88.9 | Confident | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -65.8 | -34.3 | 179.7 | -75.5 | 175.1 | -26 | 0 | 0 | 112.5 | F79 | Q76-F79 WeakPolarHBondContact O-CE1 3.46Å; Q76-F79 WeakPolarHBondContact O-CZ 3.45Å |
| 77 | D | 84.1 | Confident | 88.7 | Confident | 126 Ų | 126 | 58.7 Ų | 58.7 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -94.4 | -1.9 | -179.5 | -34.8 | -85.9 | 0 | 0 | 0 | 113.2 | K75 F79 | K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.06Å; D77-F79 PolarHBondContact O-N 3.32Å |
| 78 | E | 84.8 | Confident | 88.7 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | trans | -98.9 | 79.3 | -173 | -175.4 | 176 | -125.1 | 0 | 0 | 109.4 | S74 K75 S212 H214 | S74-E78 WeakPolarHBondContact CA-OE2 3.49Å; S74-E78 VanDerWaalsContact CB-O 3.28Å; S74-E78 WeakPolarHBondContact CB-O 3.39Å; S74-E78 WeakPolarHBondContact CB-OE2 3.37Å; S74-E78 PolarHBondContact OG-O 3.46Å; K75-E78 HydrophobicContact CB-CB 3.79Å; K75-E78 PolarHBondContact N-OE2 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; E78-S212 VanDerWaalsContact OE1-CA 3.23Å; E78-S212 WeakPolarHBondContact OE1-CA 3.49Å; E78-S212 VanDerWaalsContact OE1-CB 3.24Å; E78-S212 WeakPolarHBondContact OE1-CB 3.44Å; E78-H214 VanDerWaalsContact CG-CE1 3.42Å; E78-H214 WeakPolarHBondContact CG-CE1 3.49Å; E78-H214 IonicContact OE1-CE1 2.67Å; E78-H214 PolarHBondContact OE1-CE1 3.02Å; E78-H214 VanDerWaalsContact OE1-CE1 3.24Å; E78-H214 IonicContact OE1-ND1 2.76Å | ||
| 79 | F | 86.6 | Confident | 88.7 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -88.4 | 158.6 | 179 | -52 | -62.8 | 0 | 0 | 0 | 112.3 | S46 Q76 D77 E85 R86 | S46-F79 WeakPolarHBondContact OG-CE1 3.41Å; Q76-F79 WeakPolarHBondContact O-CE1 3.46Å; Q76-F79 WeakPolarHBondContact O-CZ 3.45Å; D77-F79 PolarHBondContact O-N 3.32Å; F79-E85 WeakPolarHBondContact CA-O 3.31Å; F79-R86 HydrophobicContact CD1-CG 4.08Å; F79-R86 HydrophobicContact CE1-CG 4.1Å |
| 80 | Y | 85.7 | Confident | 88.7 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 131.3 | 163.6 | -172.6 | -95.4 | 0 | 0 | 0 | 109.9 | L43 G82 T83 E85 V87 L135 Y213 V223 | L43-Y80 HydrophobicContact CD1-CD1 4.05Å; L43-Y80 HydrophobicContact CD1-CG 4.14Å; L43-Y80 VanDerWaalsContact CD2-CB 3.49Å; L43-Y80 HydrophobicContact CD2-CD2 4.26Å; L43-Y80 HydrophobicContact CD2-CG 3.89Å; Y80-G82 PolarHBondContact O-N 3.48Å; Y80-T83 HydrophobicContact CD1-CG2 4.36Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 3.42Å; Y80-E85 PolarHBondContact N-O 3.12Å; Y80-V87 HydrophobicContact CD2-CG2 4.45Å; Y80-L135 HydrophobicContact CD2-CD1 3.54Å; Y80-L135 HydrophobicContact CD2-CD2 4.02Å; Y80-L135 HydrophobicContact CD2-CG 4.42Å; Y80-L135 HydrophobicContact CE1-CD2 4.18Å; Y80-L135 HydrophobicContact CE2-CD1 3.57Å; Y80-L135 HydrophobicContact CE2-CD2 3.6Å; Y80-L135 HydrophobicContact CE2-CG 4.24Å; Y80-L135 HydrophobicContact CG-CD1 4.43Å; Y80-L135 HydrophobicContact CG-CD2 4.46Å; Y80-Y213 HydrophobicContact CD2-CD2 4.04Å; Y80-Y213 HydrophobicContact CD2-CE1 4.41Å; Y80-Y213 AromaticContact CD2-CE2 3.68Å; Y80-Y213 HydrophobicContact CD2-CE2 3.68Å; Y80-Y213 AromaticContact CD2-CZ 3.87Å; Y80-Y213 HydrophobicContact CE2-CE1 4.17Å; Y80-Y213 HydrophobicContact CE2-CE2 4.14Å; Y80-Y213 AromaticContact CE2-CZ 3.82Å; Y80-V223 HydrophobicContact CD1-CG2 4.43Å; Y80-V223 HydrophobicContact CE1-CG2 4.21Å |
| 81 | P | 80 | Confident | 88.7 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 134.1 | -170 | 26.5 | -35.1 | 0 | 0 | 0 | 111.1 | I216 V220 | P81-I216 HydrophobicContact CG-CG2 4.48Å; P81-V220 HydrophobicContact CB-CB 4.27Å; P81-V220 HydrophobicContact CB-CG1 4.5Å; P81-V220 HydrophobicContact CB-CG2 3.85Å; P81-V220 HydrophobicContact CG-CG1 4.42Å; P81-V220 HydrophobicContact CG-CG2 4.06Å |
| 82 | G | 75.1 | Confident | 88.6 | Confident | 60 Ų | 60 | 46 Ų | 46 | 62% | 0.619 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 3.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y80 | Y80-G82 PolarHBondContact O-N 3.48Š|
| 83 | T | 83.2 | Confident | 88.6 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -135.5 | 168.3 | 173.9 | 73.9 | 0 | 0 | 0 | 0 | 112 | L43 Y80 E85 V223 | L43-T83 HydrophobicContact CD1-CG2 4.29Å; Y80-T83 HydrophobicContact CD1-CG2 4.36Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 3.42Å; T83-E85 WeakPolarHBondContact CB-OE2 3.48Å; T83-E85 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E85 PolarHBondContact OG1-N 2.92Å; T83-V223 HydrophobicContact CG2-CB 4.3Å; T83-V223 HydrophobicContact CG2-CG2 3.7Å |
| 84 | T | 86.7 | Confident | 88.5 | Confident | 108 Ų | 108 | 44.3 Ų | 44.3 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -102.7 | 25.2 | 169.9 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | S46 | S46-T84 PolarHBondContact OG-O 3.27Š|
| 85 | E | 90 | Very high | 88.6 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.4 | -169 | -61.8 | 160.7 | 153 | 0 | 0 | 110.3 | L43 P45 F79 Y80 T83 K133 | L43-E85 HydrophobicContact CB-CB 3.89Å; P45-E85 HydrophobicContact CB-CG 4.48Å; F79-E85 WeakPolarHBondContact CA-O 3.31Å; Y80-E85 PolarHBondContact N-O 3.12Å; T83-E85 WeakPolarHBondContact CB-OE2 3.48Å; T83-E85 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E85 PolarHBondContact OG1-N 2.92Å; E85-K133 IonicContact OE1-NZ 3.9Å; E85-K133 PolarHBondContact OE1-NZ 2.73Å; E85-K133 VanDerWaalsContact OE2-CD 3.22Å; E85-K133 WeakPolarHBondContact OE2-CD 3.48Å; E85-K133 IonicContact OE2-NZ 2.91Å; E85-K133 PolarHBondContact OE2-NZ 2.99Å |
| 86 | R | 92 | Very high | 88.8 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 144.8 | -178.2 | -72 | 170.8 | 66.3 | -161 | -0.1 | 110.2 | V44 I73 S74 K75 F79 | V44-R86 PolarHBondContact N-O 3.29Å; V44-R86 PolarHBondContact O-N 2.93Å; I73-R86 HydrophobicContact CG2-CB 4.21Å; S74-R86 PolarHBondContact O-NE 3.18Å; S74-R86 PolarHBondContact O-NH2 2.98Å; S74-R86 WeakPolarHBondContact OG-CA 3.44Å; S74-R86 WeakPolarHBondContact OG-CB 3.23Å; K75-R86 PolarHBondContact O-NE 2.9Å; F79-R86 HydrophobicContact CD1-CG 4.08Å; F79-R86 HydrophobicContact CE1-CG 4.1Å |
| 87 | V | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.1 | -174.6 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | L43 I73 S74 Y80 L135 Y213 | L43-V87 HydrophobicContact CD2-CG2 3.84Å; I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.46Å; S74-V87 PolarHBondContact N-O 3.39Å; S74-V87 PolarHBondContact OG-N 3.41Å; Y80-V87 HydrophobicContact CD2-CG2 4.45Å; V87-L135 HydrophobicContact CG1-CD1 4.19Å; V87-Y213 HydrophobicContact CG2-CD2 4.15Å; V87-Y213 HydrophobicContact CG2-CE2 3.94Å |
| 88 | C | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.4 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | K41 I42 V44 I73 | K41-C88 CarbonylContact C-O 3.43Å; K41-C88 VanDerWaalsContact CA-O 3.29Å; K41-C88 WeakPolarHBondContact CA-O 2.8Å; I42-C88 HydrophobicContact CB-CB 4.44Å; I42-C88 PolarHBondContact N-O 2.63Å; I42-C88 PolarHBondContact O-N 3.47Å; V44-C88 HydrophobicContact CG2-CB 3.77Å; I73-C88 HydrophobicContact CG1-CB 4.08Å |
| 89 | L | 93.4 | Very high | 90 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.8 | 172.6 | 176.4 | 65.1 | 0 | 0 | 0 | 109.2 | K41 V71 K72 I91 L211 | K41-L89 HydrophobicContact CG-CD1 3.65Å; V71-L89 WeakPolarHBondContact CA-O 3.47Å; K72-L89 PolarHBondContact N-O 2.96Å; K72-L89 PolarHBondContact O-N 2.95Å; L89-I91 HydrophobicContact CD1-CG1 4.31Å; L89-I91 HydrophobicContact CD2-CD1 4.09Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CD1 4.29Å; L89-I91 HydrophobicContact CG-CG1 4.09Å; L89-L211 HydrophobicContact CB-CD2 3.93Å; L89-L211 HydrophobicContact CB-CG 4.21Å; L89-L211 HydrophobicContact CD2-CD1 3.88Å; L89-L211 HydrophobicContact CD2-CG 4.32Å |
| 90 | I | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.6 | 177.3 | -51.6 | 161.5 | 0 | 0 | 0 | 107.4 | Q39 L40 I42 V71 V97 V100 I104 | Q39-I90 WeakPolarHBondContact CA-O 3.47Å; L40-I90 HydrophobicContact CB-CB 4.47Å; L40-I90 HydrophobicContact CD2-CD1 4.17Å; L40-I90 PolarHBondContact N-O 2.84Å; L40-I90 PolarHBondContact O-N 3.27Å; I42-I90 HydrophobicContact CD1-CD1 3.63Å; I42-I90 HydrophobicContact CG1-CD1 4.34Å; V71-I90 HydrophobicContact CG1-CG1 4.33Å; V71-I90 HydrophobicContact CG2-CG1 4.43Å; V71-I90 HydrophobicContact CG2-CG2 4.24Å; I90-V97 HydrophobicContact CG2-CB 4.4Å; I90-V97 HydrophobicContact CG2-CG1 4.42Å; I90-V97 HydrophobicContact CG2-CG2 3.97Å; I90-V100 HydrophobicContact CD1-CB 4.3Å; I90-V100 HydrophobicContact CD1-CG1 3.66Å; I90-V100 HydrophobicContact CG1-CG1 3.89Å; I90-V100 HydrophobicContact CG2-CB 4.14Å; I90-V100 HydrophobicContact CG2-CG1 4.05Å; I90-V100 HydrophobicContact CG2-CG2 4.44Å; I90-I104 HydrophobicContact CD1-CD1 3.92Å; I90-I104 HydrophobicContact CG1-CD1 4.5Å |
| 91 | I | 92 | Very high | 90.8 | Very high | 45 Ų | 45 | 30 Ų | 30 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.5 | 177.4 | -53.3 | -179.5 | 0 | 0 | 0 | 108.8 | V38 Q39 T69 K70 L89 | V38-I91 WeakPolarHBondContact O-CA 3.46Å; Q39-I91 HydrophobicContact CG-CD1 4.46Å; Q39-I91 HydrophobicContact CG-CG1 4.04Å; Q39-I91 HydrophobicContact CG-CG2 4.18Å; T69-I91 WeakPolarHBondContact CA-O 3.41Å; K70-I91 HydrophobicContact CB-CB 4.48Å; K70-I91 PolarHBondContact N-O 2.77Å; K70-I91 PolarHBondContact O-N 2.78Å; L89-I91 HydrophobicContact CD1-CG1 4.31Å; L89-I91 HydrophobicContact CD2-CD1 4.09Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CD1 4.29Å; L89-I91 HydrophobicContact CG-CG1 4.09Å |
| 92 | G | 91.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 31 Ų | 31 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -156.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | N37 V38 | N37-G92 CarbonylContact C-O 3.53Å; V38-G92 PolarHBondContact N-O 3.5Å; V38-G92 PolarHBondContact O-N 3.28Å; V38-G92 VanDerWaalsContact O-N 3.12Å |
| 93 | S | 93.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 37% | 0.371 | 17% | 0.166 | S | C | . | . | trans | -66.2 | 152.4 | 172.2 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | D95 G96 V97 | S93-D95 VanDerWaalsContact C-N 3.34Å; S93-D95 PolarHBondContact O-N 3.37Å; S93-G96 PolarHBondContact O-N 2.87Å; S93-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact OG-N 2.89Å; S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.4Å; S93-V97 PolarHBondContact O-N 3.17Å | ||
| 94 | F | 91.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 29.2 Ų | 29.2 | 25% | 0.25 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -49.3 | -50.3 | 177.4 | -180 | -97.9 | 0 | 0 | 0 | 113.2 | V38 V97 I98 H193 L196 N197 A200 | V38-F94 HydrophobicContact CG2-CB 4.28Å; V38-F94 HydrophobicContact CG2-CD2 4.42Å; F94-V97 PolarHBondContact O-N 3.48Å; F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CE1-CD1 3.3Å; F94-I98 HydrophobicContact CE2-CD1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.29Å; F94-I98 HydrophobicContact CZ-CD1 3.74Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 2.87Å; F94-I98 VanDerWaalsContact O-N 3.07Å; F94-H193 AromaticContact CE1-NE2 3.82Å; F94-H193 AromaticContact CZ-NE2 3.9Å; F94-L196 HydrophobicContact CE2-CB 3.95Å; F94-N197 WeakPolarHBondContact CZ-OD1 3.43Å; F94-A200 HydrophobicContact CD2-CB 4.2Å |
| 95 | D | 93.2 | Very high | 92.9 | Very high | 113 Ų | 113 | 24.3 Ų | 24.3 | 60% | 0.604 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -65.4 | -40.4 | 178.8 | -178.8 | 72.9 | 0 | 0 | 0 | 113.3 | S93 V97 I98 T99 | S93-D95 VanDerWaalsContact C-N 3.34Å; S93-D95 PolarHBondContact O-N 3.37Å; D95-V97 PolarHBondContact O-N 3.06Å; D95-I98 PolarHBondContact O-N 2.76Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 2.91Å |
| 96 | G | 93.8 | Very high | 93 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | T69 S93 T99 V100 | T69-G96 VanDerWaalsContact CG2-C 3.48Å; S93-G96 PolarHBondContact O-N 2.87Å; S93-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact OG-N 2.89Å; G96-T99 PolarHBondContact O-N 2.82Å; G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 3.39Å |
| 97 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V38 L40 I90 S93 F94 D95 H101 L196 | V38-V97 HydrophobicContact CB-CG2 4.46Å; L40-V97 HydrophobicContact CB-CG1 3.6Å; L40-V97 HydrophobicContact CD2-CG1 3.78Å; L40-V97 HydrophobicContact CG-CG1 4.32Å; I90-V97 HydrophobicContact CG2-CB 4.4Å; I90-V97 HydrophobicContact CG2-CG1 4.42Å; I90-V97 HydrophobicContact CG2-CG2 3.97Å; S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.4Å; S93-V97 PolarHBondContact O-N 3.17Å; F94-V97 PolarHBondContact O-N 3.48Å; D95-V97 PolarHBondContact O-N 3.06Å; V97-H101 VanDerWaalsContact O-CB 3.29Å; V97-H101 WeakPolarHBondContact O-CB 3.43Å; V97-H101 PolarHBondContact O-N 2.7Å; V97-L196 HydrophobicContact CG1-CD1 4.24Å; V97-L196 HydrophobicContact CG1-CD2 3.76Å |
| 98 | I | 93.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.128 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 174.8 | -68.2 | 158.7 | 0 | 0 | 0 | 111.1 | F94 D95 V100 H101 N102 L196 | F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CE1-CD1 3.3Å; F94-I98 HydrophobicContact CE2-CD1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.29Å; F94-I98 HydrophobicContact CZ-CD1 3.74Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 2.87Å; F94-I98 VanDerWaalsContact O-N 3.07Å; D95-I98 PolarHBondContact O-N 2.76Å; I98-V100 PolarHBondContact O-N 3.39Å; I98-H101 WeakPolarHBondContact O-CB 3.33Å; I98-H101 PolarHBondContact O-N 2.68Å; I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 PolarHBondContact O-OD1 2.89Å; I98-L196 HydrophobicContact CG1-CD1 3.7Å |
| 99 | T | 94.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | T67 D95 G96 N102 Y103 | T67-T99 HydrophobicContact CG2-CG2 3.54Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 2.91Å; G96-T99 PolarHBondContact O-N 2.82Å; T99-N102 PolarHBondContact O-N 2.81Å; T99-Y103 PolarHBondContact O-N 3.05Å; T99-Y103 VanDerWaalsContact O-N 3.09Å |
| 100 | V | 95.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 173 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | I63 T67 T69 V71 I90 G96 I98 N102 Y103 I104 | I63-V100 HydrophobicContact CG1-CG2 4.12Å; T67-V100 HydrophobicContact CG2-CG2 4.06Å; T67-V100 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V100 HydrophobicContact CG2-CG2 4.07Å; T69-V100 VanDerWaalsContact OG1-CG2 3.28Å; T69-V100 WeakPolarHBondContact OG1-CG2 3.44Å; V71-V100 HydrophobicContact CG2-CG1 3.76Å; V71-V100 HydrophobicContact CG2-CG2 4.21Å; I90-V100 HydrophobicContact CD1-CB 4.3Å; I90-V100 HydrophobicContact CD1-CG1 3.66Å; I90-V100 HydrophobicContact CG1-CG1 3.89Å; I90-V100 HydrophobicContact CG2-CB 4.14Å; I90-V100 HydrophobicContact CG2-CG1 4.05Å; I90-V100 HydrophobicContact CG2-CG2 4.44Å; G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 3.39Å; I98-V100 PolarHBondContact O-N 3.39Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 2.92Å; V100-Y103 PolarHBondContact O-N 2.91Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.39Å; V100-I104 WeakPolarHBondContact O-CG1 3.22Å; V100-I104 PolarHBondContact O-N 3.11Å |
| 101 | H | 93.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 176.1 | 166.2 | -87.7 | 0 | 0 | 0 | 110.9 | L40 V97 I98 Y103 I104 M105 | L40-H101 HydrophobicContact CD2-CB 4.21Å; V97-H101 VanDerWaalsContact O-CB 3.29Å; V97-H101 WeakPolarHBondContact O-CB 3.43Å; V97-H101 PolarHBondContact O-N 2.7Å; I98-H101 WeakPolarHBondContact O-CB 3.33Å; I98-H101 PolarHBondContact O-N 2.68Å; H101-Y103 PolarHBondContact O-N 2.76Å; H101-I104 WeakPolarHBondContact O-CB 3.43Å; H101-I104 PolarHBondContact O-N 3.36Å; H101-I104 VanDerWaalsContact O-N 3.09Å; H101-M105 WeakPolarHBondContact NE2-CE 3.27Å; H101-M105 WeakPolarHBondContact O-CG 3.46Å; H101-M105 PolarHBondContact O-N 3.48Å |
| 102 | N | 93.7 | Very high | 88.4 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | -178.3 | -64.5 | -11.3 | 0 | 0 | 0 | 111.2 | I98 T99 V100 I104 M105 D106 | I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 PolarHBondContact O-OD1 2.89Å; T99-N102 PolarHBondContact O-N 2.81Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 2.92Å; N102-I104 VanDerWaalsContact C-N 3.31Å; N102-I104 PolarHBondContact O-N 3.15Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-D106 PolarHBondContact O-N 3.13Å |
| 103 | Y | 94 | Very high | 86.7 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.8 | -41.1 | 172.4 | 176.9 | -90.4 | 0 | 0 | 0 | 112.9 | A59 I63 T99 V100 H101 R107 | A59-Y103 WeakPolarHBondContact CB-OH 3.26Å; I63-Y103 HydrophobicContact CD1-CD2 4.23Å; I63-Y103 HydrophobicContact CD1-CG 4.21Å; I63-Y103 HydrophobicContact CG1-CD1 4.36Å; I63-Y103 HydrophobicContact CG1-CG 4.14Å; I63-Y103 HydrophobicContact CG2-CD1 4.49Å; T99-Y103 PolarHBondContact O-N 3.05Å; T99-Y103 VanDerWaalsContact O-N 3.09Å; V100-Y103 PolarHBondContact O-N 2.91Å; H101-Y103 PolarHBondContact O-N 2.76Å; Y103-R107 HydrophobicContact CD1-CG 4.42Å; Y103-R107 HydrophobicContact CE1-CG 3.98Å; Y103-R107 HydrophobicContact CE2-CG 4.48Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 PolarHBondContact OH-NE 3.41Å |
| 104 | I | 92.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 177.4 | -70 | 167.5 | 0 | 0 | 0 | 111 | I42 V44 V52 I90 V100 H101 N102 R107 I108 | I42-I104 HydrophobicContact CD1-CD1 4.21Å; V44-I104 HydrophobicContact CG2-CG2 3.97Å; V52-I104 HydrophobicContact CG1-CG1 3.9Å; V52-I104 HydrophobicContact CG2-CG1 4.36Å; V52-I104 HydrophobicContact CG2-CG2 4.29Å; I90-I104 HydrophobicContact CD1-CD1 3.92Å; I90-I104 HydrophobicContact CG1-CD1 4.5Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.39Å; V100-I104 WeakPolarHBondContact O-CG1 3.22Å; V100-I104 PolarHBondContact O-N 3.11Å; H101-I104 WeakPolarHBondContact O-CB 3.43Å; H101-I104 PolarHBondContact O-N 3.36Å; H101-I104 VanDerWaalsContact O-N 3.09Å; N102-I104 VanDerWaalsContact C-N 3.31Å; N102-I104 PolarHBondContact O-N 3.15Å; I104-R107 PolarHBondContact O-N 3.31Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.04Å |
| 105 | M | 89.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 179.1 | -60.9 | -40.1 | 129.4 | 0 | 0 | 112.2 | I42 H101 N102 R107 I108 M109 V132 L185 | I42-M105 HydrophobicContact CD1-CE 3.82Å; I42-M105 HydrophobicContact CG2-CE 3.88Å; H101-M105 WeakPolarHBondContact NE2-CE 3.27Å; H101-M105 WeakPolarHBondContact O-CG 3.46Å; H101-M105 PolarHBondContact O-N 3.48Å; N102-M105 PolarHBondContact O-N 3.39Å; M105-R107 PolarHBondContact O-N 3.11Å; M105-I108 HydrophobicContact CE-CD1 4.42Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-I108 VanDerWaalsContact O-N 3.09Å; M105-I108 HydrophobicContact SD-CD1 4Å; M105-M109 PolarHBondContact O-N 2.86Å; M105-V132 HydrophobicContact CE-CG1 3.67Å; M105-V132 HydrophobicContact CE-CG2 4.43Å; M105-V132 HydrophobicContact CG-CG2 4.09Å; M105-V132 HydrophobicContact SD-CB 4.07Å; M105-V132 HydrophobicContact SD-CG1 3.62Å; M105-V132 HydrophobicContact SD-CG2 3.26Å; M105-V132 WeakPolarHBondContact SD-CG2 3.46Å; M105-L185 HydrophobicContact CB-CD1 4.21Å |
| 106 | D | 90.6 | Very high | 80.6 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 176.8 | -62.3 | -1.7 | 0 | 0 | 0 | 110.8 | N102 M109 E110 R189 | N102-D106 PolarHBondContact O-N 3.13Å; D106-M109 PolarHBondContact O-N 3.33Å; D106-E110 VanDerWaalsContact O-CB 3.24Å; D106-E110 WeakPolarHBondContact O-CB 3.48Å; D106-E110 PolarHBondContact O-N 3.37Å; D106-R189 IonicContact OD1-CZ 2.76Å; D106-R189 IonicContact OD1-NE 3.57Å; D106-R189 IonicContact OD1-NH2 3.42Å; D106-R189 PolarHBondContact OD1-NH2 3.45Å; D106-R189 IonicContact OD2-NH2 3.7Å; D106-R189 PolarHBondContact OD2-NH2 3.32Å |
| 107 | R | 88.5 | Confident | 78.3 | Confident | 77 Ų | 77 | 59 Ų | 59 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.3 | -21 | 175.1 | -65.7 | -67.7 | 167.2 | -157.8 | -11.4 | 114.8 | A51 V52 Y103 I104 M105 E110 | A51-R107 HydrophobicContact CB-CB 4.33Å; V52-R107 HydrophobicContact CG2-CB 3.75Å; V52-R107 HydrophobicContact CG2-CG 4.43Å; Y103-R107 HydrophobicContact CD1-CG 4.42Å; Y103-R107 HydrophobicContact CE1-CG 3.98Å; Y103-R107 HydrophobicContact CE2-CG 4.48Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 PolarHBondContact OH-NE 3.41Å; I104-R107 PolarHBondContact O-N 3.31Å; M105-R107 PolarHBondContact O-N 3.11Å; R107-E110 WeakPolarHBondContact CD-OE2 3.11Å; R107-E110 IonicContact CZ-OE1 2.73Å; R107-E110 IonicContact CZ-OE2 3.2Å; R107-E110 IonicContact NE-OE2 3.99Å; R107-E110 IonicContact NH1-OE1 2.7Å; R107-E110 PolarHBondContact NH1-OE1 2.87Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.2Å |
| 108 | I | 86.6 | Confident | 76.2 | Confident | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.2 | -42.1 | 169.3 | -69.1 | 165 | 0 | 0 | 0 | 109.6 | V44 A48 I104 M105 | V44-I108 HydrophobicContact CG1-CD1 4.41Å; V44-I108 HydrophobicContact CG1-CG1 4.49Å; A48-I108 HydrophobicContact CB-CB 4.3Å; A48-I108 HydrophobicContact CB-CG1 3.69Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.04Å; M105-I108 HydrophobicContact CE-CD1 4.42Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-I108 VanDerWaalsContact O-N 3.09Å; M105-I108 HydrophobicContact SD-CD1 4Å |
| 109 | M | 79.8 | Confident | 74 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -78.2 | -25.1 | -179.7 | -71 | -175 | 59.1 | 0 | 0 | 114.7 | M105 D106 K111 P112 L185 | M105-M109 PolarHBondContact O-N 2.86Å; D106-M109 PolarHBondContact O-N 3.33Å; M109-K111 PolarHBondContact O-N 3.38Å; M109-P112 WeakPolarHBondContact O-CD 3.26Å; M109-L185 HydrophobicContact CE-CB 4.17Å; M109-L185 HydrophobicContact CE-CD2 4.5Å; M109-L185 HydrophobicContact SD-CB 3.95Å; M109-L185 HydrophobicContact SD-CD1 3.8Å; M109-L185 HydrophobicContact SD-CD2 4.25Å; M109-L185 HydrophobicContact SD-CG 4.21Å |
| 110 | E | 79 | Confident | 71.2 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.4 | 173.1 | 179.8 | -173.2 | -131.8 | 0 | 0 | 112.4 | D106 R107 | D106-E110 VanDerWaalsContact O-CB 3.24Å; D106-E110 WeakPolarHBondContact O-CB 3.48Å; D106-E110 PolarHBondContact O-N 3.37Å; R107-E110 WeakPolarHBondContact CD-OE2 3.11Å; R107-E110 IonicContact CZ-OE1 2.73Å; R107-E110 IonicContact CZ-OE2 3.2Å; R107-E110 IonicContact NE-OE2 3.99Å; R107-E110 IonicContact NH1-OE1 2.7Å; R107-E110 PolarHBondContact NH1-OE1 2.87Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.2Å |
| 111 | K | 65.6 | Low | 68.7 | Low | 98 Ų | 98 | 74.9 Ų | 74.9 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -128.5 | 68 | -175.8 | -59.7 | -169.6 | -170.9 | -179.9 | 0 | 111.6 | A51 M109 | A51-K111 HydrophobicContact CB-CD 3.89Å; M109-K111 PolarHBondContact O-N 3.38Å |
| 112 | P | 61.9 | Low | 65.8 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | trans | -61.5 | 144.6 | 167.3 | 30.9 | -34.6 | 0 | 0 | 0 | 108.9 | M109 P114 | M109-P112 WeakPolarHBondContact O-CD 3.26Å; P112-P114 WeakPolarHBondContact O-CD 3.45Å | ||
| 113 | D | 55.3 | Low | 63.4 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | trans | -64.2 | 124.5 | -176.5 | -61.1 | -46.5 | 0 | 0 | 0 | 109.8 | I47 N115 H129 | I47-D113 WeakPolarHBondContact CD1-OD1 3.19Å; D113-N115 PolarHBondContact O-N 3.17Å; D113-H129 WeakPolarHBondContact CB-NE2 3.4Å; D113-H129 IonicContact OD2-CD2 2.68Å; D113-H129 IonicContact OD2-CE1 2.63Å; D113-H129 IonicContact OD2-NE2 2.7Å; D113-H129 PolarHBondContact OD2-NE2 2.99Å | ||
| 114 | P | 50.4 | Low | 61.3 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 85% | 0.851 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -76.7 | 30.6 | -172.5 | 32.2 | -37.3 | 0 | 0 | 0 | 113.6 | P112 | P112-P114 WeakPolarHBondContact O-CD 3.45Š|
| 115 | N | 46.7 | Very low | 59 | Low | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | trans | -145.8 | 87.8 | 180 | -177.3 | 17.3 | 0 | 0 | 0 | 112.5 | D113 N117 T118 | D113-N115 PolarHBondContact O-N 3.17Å; N115-N117 PolarHBondContact O-N 2.81Å; N115-N117 WeakPolarHBondContact OD1-CA 3.4Å; N115-N117 WeakPolarHBondContact OD1-CB 3.33Å; N115-N117 PolarHBondContact OD1-N 3.28Å; N115-T118 PolarHBondContact ND2-OG1 2.87Å | ||
| 116 | P | 53.8 | Low | 56.9 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | trans | -74.8 | -1.7 | 168.1 | 29.6 | -32.6 | 0 | 0 | 0 | 113.8 | ||||
| 117 | N | 45.9 | Very low | 55.2 | Low | 139 Ų | 139 | 103 Ų | 103 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -108.9 | 28.2 | -161.7 | -64.5 | -13 | 0 | 0 | 0 | 114.1 | N115 | N115-N117 PolarHBondContact O-N 2.81Å; N115-N117 WeakPolarHBondContact OD1-CA 3.4Å; N115-N117 WeakPolarHBondContact OD1-CB 3.33Å; N115-N117 PolarHBondContact OD1-N 3.28Å | ||
| 118 | T | 49.3 | Very low | 53.6 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 64% | 0.644 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -138.3 | 52.2 | 177.4 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | N115 | N115-T118 PolarHBondContact ND2-OG1 2.87Š|
| 119 | T | 47.6 | Very low | 52.2 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | trans | -150 | 119 | 153 | -44 | 0 | 0 | 0 | 0 | 108.9 | E121 N125 | T119-E121 HydrophobicContact CG2-CB 3.91Å; T119-E121 HydrophobicContact CG2-CG 4.01Å; T119-E121 PolarHBondContact O-N 2.85Å; T119-N125 PolarHBondContact OG1-ND2 2.96Å | ||
| 120 | G | 36.4 | Very low | 52 | Low | 88 Ų | 88 | 109.8 Ų | 109.8 | 91% | 0.907 | 61% | 0.605 | S | S | * | * | trans | -75.8 | 22.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 121 | E | 42.6 | Very low | 52.3 | Low | 148 Ų | 148 | 106 Ų | 106 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | trans | -107.8 | 96.7 | -172.1 | -72.6 | -73.8 | 114.6 | 0 | 0 | 109.7 | T119 R123 | T119-E121 HydrophobicContact CG2-CB 3.91Å; T119-E121 HydrophobicContact CG2-CG 4.01Å; T119-E121 PolarHBondContact O-N 2.85Å; E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.97Å | ||
| 122 | G | 32.5 | Very low | 53.5 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 88% | 0.876 | 57% | 0.57 | S | S | * | * | trans | -75.1 | 56 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 123 | R | 42 | Very low | 54.9 | Low | 226 Ų | 226 | 98.6 Ų | 98.6 | 85% | 0.853 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -163.6 | 132.6 | 164.4 | -110.4 | 160.7 | -174.7 | -170.7 | 0.2 | 112.9 | E121 N125 | E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.97Å; R123-N125 PolarHBondContact O-N 2.8Å |
| 124 | L | 49.3 | Very low | 56.7 | Low | 156 Ų | 156 | 95.6 Ų | 95.6 | 82% | 0.817 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 64.4 | 28.2 | 163.2 | -48.7 | 179.6 | 0 | 0 | 0 | 118.4 | ||
| 125 | N | 46.3 | Very low | 58.6 | Low | 61 Ų | 61 | 89.7 Ų | 89.7 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | trans | -103.7 | 27.5 | 179.2 | -159.5 | 26 | 0 | 0 | 0 | 114.2 | T119 R123 R128 | T119-N125 PolarHBondContact OG1-ND2 2.96Å; R123-N125 PolarHBondContact O-N 2.8Å; N125-R128 PolarHBondContact OD1-NE 2.97Å; N125-R128 PolarHBondContact OD1-NH2 2.83Å | ||
| 126 | V | 45.5 | Very low | 60.7 | Low | 114 Ų | 114 | 85.5 Ų | 85.5 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -107.4 | -34.1 | -176.5 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | R128 | V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.64Å |
| 127 | E | 54.2 | Low | 62.4 | Low | 111 Ų | 111 | 80.8 Ų | 80.8 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -70.9 | -13 | -175.8 | -78 | 62.8 | -146.4 | 0 | 0 | 114.8 | H129 K130 | E127-H129 PolarHBondContact O-N 3.43Å; E127-K130 CarbonylContact O-C 3.13Å; E127-K130 PolarHBondContact O-N 3.49Å |
| 128 | R | 55.8 | Low | 64.4 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 47% | 0.468 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -64.7 | -16.8 | -171.8 | -73 | -156.9 | -76.6 | 159.7 | -13.2 | 114.9 | N125 V126 Y224 | N125-R128 PolarHBondContact OD1-NE 2.97Å; N125-R128 PolarHBondContact OD1-NH2 2.83Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.64Å; R128-Y224 WeakPolarHBondContact CD-OH 3.34Å |
| 129 | H | 57.3 | Low | 66.1 | Low | 69 Ų | 69 | 73.4 Ų | 73.4 | 32% | 0.319 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -87.6 | -2.3 | 172.9 | -58.3 | 100.3 | 0 | 0 | 0 | 114.2 | D113 E127 | D113-H129 WeakPolarHBondContact CB-NE2 3.4Å; D113-H129 IonicContact OD2-CD2 2.68Å; D113-H129 IonicContact OD2-CE1 2.63Å; D113-H129 IonicContact OD2-NE2 2.7Å; D113-H129 PolarHBondContact OD2-NE2 2.99Å; E127-H129 PolarHBondContact O-N 3.43Å |
| 130 | K | 74.8 | Confident | 68.2 | Low | 125 Ų | 125 | 69.7 Ų | 69.7 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -127.8 | 30.1 | 177.9 | -61.9 | -172.3 | 179.1 | -176 | 0 | 112.4 | E127 A182 G183 | E127-K130 CarbonylContact O-C 3.13Å; E127-K130 PolarHBondContact O-N 3.49Å; K130-A182 WeakPolarHBondContact O-CA 3.35Å; K130-G183 PolarHBondContact O-N 3.31Å |
| 131 | Q | 85.3 | Confident | 70.8 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.5 | 174.9 | 73.9 | 178.5 | 0.4 | 0 | 0 | 111.6 | V180 V181 A182 Y224 | Q131-V180 HydrophobicContact CB-CG1 4.25Å; Q131-V181 CarbonylContact C-O 3.55Å; Q131-V181 VanDerWaalsContact CA-O 3.27Å; Q131-V181 WeakPolarHBondContact CA-O 3.24Å; Q131-A182 HydrophobicContact CB-CB 3.81Å; Q131-Y224 PolarHBondContact NE2-OH 2.78Å; Q131-Y224 VanDerWaalsContact NE2-OH 3.11Å |
| 132 | V | 90.1 | Very high | 73.1 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.4 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | I42 M105 I134 V180 V181 T188 | I42-V132 HydrophobicContact CG2-CG1 4.5Å; M105-V132 HydrophobicContact CE-CG1 3.67Å; M105-V132 HydrophobicContact CE-CG2 4.43Å; M105-V132 HydrophobicContact CG-CG2 4.09Å; M105-V132 HydrophobicContact SD-CB 4.07Å; M105-V132 HydrophobicContact SD-CG1 3.62Å; M105-V132 HydrophobicContact SD-CG2 3.26Å; M105-V132 WeakPolarHBondContact SD-CG2 3.46Å; V132-I134 HydrophobicContact CG1-CG1 4.4Å; V132-V180 CarbonylContact O-C 3.58Å; V132-V180 WeakPolarHBondContact O-CA 3.25Å; V132-V181 PolarHBondContact N-O 2.93Å; V132-V181 PolarHBondContact O-N 2.81Å; V132-T188 HydrophobicContact CB-CG2 4.03Å; V132-T188 HydrophobicContact CG2-CG2 3.43Å; V132-T188 VanDerWaalsContact CG2-CG2 3.43Å |
| 133 | K | 91.7 | Very high | 76 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.5 | -174.5 | -78.8 | 173.2 | 177.9 | 172.6 | 0 | 110 | I42 L43 E85 I179 V180 V223 Y224 | I42-K133 CarbonylContact C-O 3.53Å; I42-K133 VanDerWaalsContact CA-O 3.29Å; I42-K133 WeakPolarHBondContact CA-O 3.38Å; I42-K133 WeakPolarHBondContact CG2-O 3.42Å; L43-K133 HydrophobicContact CB-CB 3.8Å; L43-K133 HydrophobicContact CB-CD 4.38Å; L43-K133 HydrophobicContact CD1-CB 4.21Å; L43-K133 HydrophobicContact CD1-CD 4.19Å; L43-K133 HydrophobicContact CG-CB 4.19Å; L43-K133 PolarHBondContact N-O 3.19Å; E85-K133 IonicContact OE1-NZ 3.9Å; E85-K133 PolarHBondContact OE1-NZ 2.73Å; E85-K133 VanDerWaalsContact OE2-CD 3.22Å; E85-K133 WeakPolarHBondContact OE2-CD 3.48Å; E85-K133 IonicContact OE2-NZ 2.91Å; E85-K133 PolarHBondContact OE2-NZ 2.99Å; K133-I179 CarbonylContact C-O 3.57Å; K133-I179 WeakPolarHBondContact CA-O 3.48Å; K133-V180 HydrophobicContact CG-CG1 4.4Å; K133-V180 HydrophobicContact CG-CG2 4.27Å; K133-V223 HydrophobicContact CD-CG1 4.25Å; K133-Y224 PolarHBondContact NZ-OH 3.33Å |
| 134 | I | 93.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.8 | -177.5 | -67.2 | 169.9 | 0 | 0 | 0 | 108.6 | L40 K41 V132 V136 C178 I179 V192 | L40-I134 HydrophobicContact CD1-CD1 4.32Å; L40-I134 HydrophobicContact CD1-CG1 4.36Å; L40-I134 HydrophobicContact CD1-CG2 3.67Å; K41-I134 CarbonylContact O-C 3.58Å; K41-I134 VanDerWaalsContact O-CA 3.26Å; K41-I134 WeakPolarHBondContact O-CA 3.19Å; K41-I134 WeakPolarHBondContact O-CG2 3.36Å; V132-I134 HydrophobicContact CG1-CG1 4.4Å; I134-V136 HydrophobicContact CG2-CG1 3.85Å; I134-C178 CarbonylContact O-C 3.59Å; I134-C178 WeakPolarHBondContact O-CA 3.44Å; I134-I179 PolarHBondContact N-O 3.12Å; I134-I179 PolarHBondContact O-N 2.98Å; I134-V192 HydrophobicContact CD1-CB 4.15Å; I134-V192 HydrophobicContact CD1-CG1 3.56Å; I134-V192 HydrophobicContact CD1-CG2 3.56Å |
| 135 | L | 91.4 | Very high | 80.5 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.4 | 169.9 | -55.8 | 177.3 | 0 | 0 | 0 | 109.2 | K41 L43 Y80 V87 R177 C178 | K41-L135 HydrophobicContact CB-CB 3.76Å; K41-L135 HydrophobicContact CB-CD1 4.48Å; K41-L135 HydrophobicContact CB-CG 4.42Å; K41-L135 HydrophobicContact CD-CB 4.07Å; K41-L135 HydrophobicContact CD-CD1 4.2Å; K41-L135 PolarHBondContact O-N 3.36Å; L43-L135 HydrophobicContact CD1-CD2 4.2Å; L43-L135 HydrophobicContact CD2-CD1 3.9Å; L43-L135 HydrophobicContact CD2-CD2 4.29Å; L43-L135 HydrophobicContact CD2-CG 4.09Å; L43-L135 HydrophobicContact CG-CD2 4.2Å; L43-L135 HydrophobicContact CG-CG 4.25Å; Y80-L135 HydrophobicContact CD2-CD1 3.54Å; Y80-L135 HydrophobicContact CD2-CD2 4.02Å; Y80-L135 HydrophobicContact CD2-CG 4.42Å; Y80-L135 HydrophobicContact CE1-CD2 4.18Å; Y80-L135 HydrophobicContact CE2-CD1 3.57Å; Y80-L135 HydrophobicContact CE2-CD2 3.6Å; Y80-L135 HydrophobicContact CE2-CG 4.24Å; Y80-L135 HydrophobicContact CG-CD1 4.43Å; Y80-L135 HydrophobicContact CG-CD2 4.46Å; V87-L135 HydrophobicContact CG1-CD1 4.19Å; L135-R177 WeakPolarHBondContact CA-O 3.4Å; L135-C178 HydrophobicContact CD2-CB 3.95Å |
| 136 | V | 90.5 | Very high | 82.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.3 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | I134 A141 E176 R177 I179 I199 | I134-V136 HydrophobicContact CG2-CG1 3.85Å; V136-A141 HydrophobicContact CG2-CB 3.84Å; V136-E176 CarbonylContact O-C 3.6Å; V136-E176 WeakPolarHBondContact O-CA 3.26Å; V136-R177 PolarHBondContact N-O 3.22Å; V136-R177 PolarHBondContact O-N 3.12Å; V136-I179 HydrophobicContact CG1-CD1 4.11Å; V136-I179 HydrophobicContact CG2-CD1 3.84Å; V136-I179 HydrophobicContact CG2-CG1 3.94Å; V136-I199 HydrophobicContact CG1-CD1 3.96Å; V136-I199 HydrophobicContact CG1-CG1 4.21Å |
| 137 | P | 89.6 | Confident | 85 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 156.8 | 171.6 | -27 | 37.1 | 0 | 0 | 0 | 113.4 | S139 T140 A141 L175 | P137-S139 PolarHBondContact O-N 3.2Å; P137-T140 PolarHBondContact O-N 3.46Å; P137-A141 WeakPolarHBondContact O-CB 3.48Å; P137-A141 PolarHBondContact O-N 3.32Å; P137-L175 CarbonylContact C-O 3.53Å; P137-L175 WeakPolarHBondContact CA-O 3.49Å |
| 138 | N | 86.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.5 | -30.2 | 179.1 | -90.2 | -86.7 | 0 | 0 | 0 | 114.1 | G142 L174 L175 R177 | N138-G142 PolarHBondContact O-N 2.85Å; N138-L174 PolarHBondContact ND2-O 3.33Å; N138-L175 PolarHBondContact N-O 2.87Å; N138-L175 PolarHBondContact ND2-O 2.97Å; N138-R177 VanDerWaalsContact OD1-CZ 3.3Å; N138-R177 PolarHBondContact OD1-NE 3.41Å; N138-R177 PolarHBondContact OD1-NH2 3.02Å |
| 139 | S | 86.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.8 | -59.5 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.3 | P137 A141 G142 M143 D202 | P137-S139 PolarHBondContact O-N 3.2Å; S139-A141 VanDerWaalsContact C-N 3.29Å; S139-A141 PolarHBondContact O-N 3Å; S139-G142 WeakPolarHBondContact O-CA 3.41Å; S139-G142 PolarHBondContact O-N 3.09Å; S139-M143 PolarHBondContact O-N 2.86Å; S139-M143 VanDerWaalsContact O-N 3.15Å; S139-D202 PolarHBondContact OG-OD2 3.25Å; S139-D202 VanDerWaalsContact OG-OD2 3.04Å |
| 140 | T | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -37.7 | -178.3 | -30.5 | 0 | 0 | 0 | 0 | 111.6 | P137 G142 M143 V144 V198 I199 D202 S205 | P137-T140 PolarHBondContact O-N 3.46Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 3.19Å; T140-M143 PolarHBondContact O-N 3.18Å; T140-M143 VanDerWaalsContact O-N 3.14Å; T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.98Å; T140-V198 HydrophobicContact CG2-CG1 4.39Å; T140-I199 HydrophobicContact CG2-CB 4.41Å; T140-I199 HydrophobicContact CG2-CG1 3.9Å; T140-D202 WeakPolarHBondContact CA-OD2 3.42Å; T140-D202 WeakPolarHBondContact CB-OD2 3.36Å; T140-D202 HydrophobicContact CG2-CB 4.1Å; T140-D202 PolarHBondContact N-OD2 2.97Å; T140-D202 VanDerWaalsContact N-OD2 3.15Å; T140-D202 PolarHBondContact OG1-OD2 3.39Å; T140-S205 PolarHBondContact OG1-OG 2.91Å |
| 141 | A | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57 | -40.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V136 P137 S139 V144 I145 R177 | V136-A141 HydrophobicContact CG2-CB 3.84Å; P137-A141 WeakPolarHBondContact O-CB 3.48Å; P137-A141 PolarHBondContact O-N 3.32Å; S139-A141 VanDerWaalsContact C-N 3.29Å; S139-A141 PolarHBondContact O-N 3Å; A141-V144 PolarHBondContact O-N 2.76Å; A141-I145 WeakPolarHBondContact O-CD1 3.45Å; A141-I145 VanDerWaalsContact O-CG1 3.23Å; A141-I145 WeakPolarHBondContact O-CG1 3.2Å; A141-I145 PolarHBondContact O-N 3.07Å; A141-R177 HydrophobicContact CB-CB 4.41Å; A141-R177 HydrophobicContact CB-CG 4.44Å |
| 142 | G | 91.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 38 Ų | 38 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N138 S139 T140 I145 G146 | N138-G142 PolarHBondContact O-N 2.85Å; S139-G142 WeakPolarHBondContact O-CA 3.41Å; S139-G142 PolarHBondContact O-N 3.09Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 3.19Å; G142-I145 PolarHBondContact O-N 2.71Å; G142-G146 PolarHBondContact O-N 2.86Å |
| 143 | M | 92.2 | Very high | 92 | Very high | 108 Ų | 108 | 43.6 Ų | 43.6 | 53% | 0.532 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 175.3 | -66.9 | -64 | -69.7 | 0 | 0 | 112.4 | S139 T140 I145 G146 V198 | S139-M143 PolarHBondContact O-N 2.86Å; S139-M143 VanDerWaalsContact O-N 3.15Å; T140-M143 PolarHBondContact O-N 3.18Å; T140-M143 VanDerWaalsContact O-N 3.14Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 3.04Å; M143-G146 PolarHBondContact O-N 3.44Å; M143-V198 HydrophobicContact CB-CG1 3.45Å; M143-V198 VanDerWaalsContact CB-CG1 3.45Å |
| 144 | V | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 177.2 | 178 | 0 | 0 | 0 | 0 | 112.1 | T140 A141 I152 I155 I165 I179 I195 V198 | T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.98Å; A141-V144 PolarHBondContact O-N 2.76Å; V144-I152 PolarHBondContact O-N 3.34Å; V144-I152 VanDerWaalsContact O-N 3.15Å; V144-I155 HydrophobicContact CG1-CD1 3.95Å; V144-I165 HydrophobicContact CG1-CD1 4.13Å; V144-I179 HydrophobicContact CB-CD1 4.31Å; V144-I179 HydrophobicContact CG1-CD1 3.91Å; V144-I179 HydrophobicContact CG2-CD1 4.36Å; V144-I195 HydrophobicContact CG1-CG1 4.18Å; V144-I195 HydrophobicContact CG2-CG2 4.36Å; V144-V198 HydrophobicContact CG2-CB 3.86Å; V144-V198 HydrophobicContact CG2-CG1 3.68Å; V144-V198 HydrophobicContact CG2-CG2 4.28Å |
| 145 | I | 93.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 169.8 | -65.4 | 164.1 | 0 | 0 | 0 | 110.1 | A141 G142 M143 G149 S150 Y151 I152 I165 | A141-I145 WeakPolarHBondContact O-CD1 3.45Å; A141-I145 VanDerWaalsContact O-CG1 3.23Å; A141-I145 WeakPolarHBondContact O-CG1 3.2Å; A141-I145 PolarHBondContact O-N 3.07Å; G142-I145 PolarHBondContact O-N 2.71Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 3.04Å; I145-G149 CarbonylContact O-C 3.58Å; I145-G149 WeakPolarHBondContact O-CA 3.44Å; I145-S150 PolarHBondContact O-N 3.46Å; I145-Y151 PolarHBondContact O-N 2.68Å; I145-I152 HydrophobicContact CG2-CG2 4.32Å; I145-I152 PolarHBondContact O-N 3.15Å; I145-I165 HydrophobicContact CD1-CD1 4.44Å; I145-I165 HydrophobicContact CG1-CD1 3.74Å |
| 146 | G | 92.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | trans | 74.5 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | G142 M143 G148 G149 | G142-G146 PolarHBondContact O-N 2.86Å; M143-G146 PolarHBondContact O-N 3.44Å; G146-G148 PolarHBondContact O-N 3.18Å; G146-G149 PolarHBondContact O-N 3.03Å | ||
| 147 | K | 93.2 | Very high | 92.6 | Very high | 196 Ų | 196 | 57.7 Ų | 57.7 | 85% | 0.852 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68 | 117.1 | -177.4 | -66.5 | 177.2 | -177.1 | 173.8 | 0 | 109.5 | G149 S150 | K147-G149 PolarHBondContact O-N 3.04Å; K147-S150 WeakPolarHBondContact O-CB 3.37Å; K147-S150 PolarHBondContact O-N 3.5Å; K147-S150 PolarHBondContact O-OG 2.87Å |
| 148 | G | 91.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 95% | 0.948 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | 68.2 | 13.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G146 | G146-G148 PolarHBondContact O-N 3.18Š|
| 149 | G | 92.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | 87.6 | 8.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I145 G146 K147 Y151 I152 Q153 | I145-G149 CarbonylContact O-C 3.58Å; I145-G149 WeakPolarHBondContact O-CA 3.44Å; G146-G149 PolarHBondContact O-N 3.03Å; K147-G149 PolarHBondContact O-N 3.04Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 2.73Å; G149-I152 WeakPolarHBondContact O-CG2 3.43Å; G149-I152 PolarHBondContact O-N 3.02Å; G149-Q153 WeakPolarHBondContact O-CB 3.39Å; G149-Q153 PolarHBondContact O-N 3.24Å |
| 150 | S | 95.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 62 Ų | 62 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | -175 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | I145 K147 Q153 E154 | I145-S150 PolarHBondContact O-N 3.46Å; K147-S150 WeakPolarHBondContact O-CB 3.37Å; K147-S150 PolarHBondContact O-N 3.5Å; K147-S150 PolarHBondContact O-OG 2.87Å; S150-Q153 PolarHBondContact O-N 3.5Å; S150-E154 WeakPolarHBondContact O-CB 3.24Å; S150-E154 PolarHBondContact O-N 3.18Å |
| 151 | Y | 95.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -81.2 | -36.6 | -172.9 | -164 | -103.3 | 0 | 0 | 0 | 112.3 | I145 G149 Q153 E154 I155 V198 | I145-Y151 PolarHBondContact O-N 2.68Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 2.73Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.07Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.41Å; Y151-E154 WeakPolarHBondContact O-CB 3.31Å; Y151-E154 PolarHBondContact O-N 3.26Å; Y151-I155 HydrophobicContact CD1-CD1 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CE1-CD1 3.65Å; Y151-I155 HydrophobicContact CE1-CG1 3.95Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 2.92Å; Y151-V198 HydrophobicContact CD1-CG2 4.1Å; Y151-V198 HydrophobicContact CE1-CG2 3.33Å |
| 152 | I | 94.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -30.5 | 170.9 | -175.4 | 171.9 | 0 | 0 | 0 | 111.8 | V144 I145 G149 K156 V163 I165 | V144-I152 PolarHBondContact O-N 3.34Å; V144-I152 VanDerWaalsContact O-N 3.15Å; I145-I152 HydrophobicContact CG2-CG2 4.32Å; I145-I152 PolarHBondContact O-N 3.15Å; G149-I152 WeakPolarHBondContact O-CG2 3.43Å; G149-I152 PolarHBondContact O-N 3.02Å; I152-K156 VanDerWaalsContact O-CG 3.29Å; I152-K156 WeakPolarHBondContact O-CG 3.39Å; I152-K156 PolarHBondContact O-N 2.88Å; I152-V163 HydrophobicContact CD1-CG1 4.06Å; I152-V163 HydrophobicContact CG1-CB 4.34Å; I152-V163 HydrophobicContact CG1-CG1 4.11Å; I152-I165 HydrophobicContact CD1-CD1 3.84Å; I152-I165 HydrophobicContact CD1-CG1 3.88Å |
| 153 | Q | 95.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.2 | -45.4 | 170.8 | -176.1 | 169.8 | -15.7 | 0 | 0 | 111.5 | G149 S150 Y151 I155 K156 E157 | G149-Q153 WeakPolarHBondContact O-CB 3.39Å; G149-Q153 PolarHBondContact O-N 3.24Å; S150-Q153 PolarHBondContact O-N 3.5Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.07Å; Q153-I155 PolarHBondContact O-N 3.31Å; Q153-K156 WeakPolarHBondContact O-CB 3.34Å; Q153-K156 PolarHBondContact O-N 3.34Å; Q153-K156 VanDerWaalsContact O-N 3.16Å; Q153-E157 PolarHBondContact O-N 3.2Å |
| 154 | E | 95.2 | Very high | 93.8 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 175.7 | -171.7 | -169.9 | 150.7 | 0 | 0 | 112.5 | S150 Y151 K156 E157 K158 | S150-E154 WeakPolarHBondContact O-CB 3.24Å; S150-E154 PolarHBondContact O-N 3.18Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.41Å; Y151-E154 WeakPolarHBondContact O-CB 3.31Å; Y151-E154 PolarHBondContact O-N 3.26Å; E154-K156 PolarHBondContact O-N 2.75Å; E154-E157 PolarHBondContact O-N 3.03Å; E154-K158 HydrophobicContact CG-CD 3.99Å; E154-K158 HydrophobicContact CG-CG 4.48Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.29Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.34Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å |
| 155 | I | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 174.8 | -66.9 | 163.1 | 0 | 0 | 0 | 110.4 | V144 Y151 Q153 E157 K158 T159 V163 A191 L194 I195 | V144-I155 HydrophobicContact CG1-CD1 3.95Å; Y151-I155 HydrophobicContact CD1-CD1 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CE1-CD1 3.65Å; Y151-I155 HydrophobicContact CE1-CG1 3.95Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 2.92Å; Q153-I155 PolarHBondContact O-N 3.31Å; I155-E157 PolarHBondContact O-N 2.95Å; I155-K158 PolarHBondContact O-N 2.81Å; I155-T159 HydrophobicContact CG2-CG2 4.39Å; I155-T159 WeakPolarHBondContact O-CB 3.31Å; I155-T159 WeakPolarHBondContact O-CG2 3.47Å; I155-T159 PolarHBondContact O-N 3.25Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.49Å; I155-V163 HydrophobicContact CG2-CG2 3.91Å; I155-A191 HydrophobicContact CG2-CB 4.08Å; I155-L194 HydrophobicContact CB-CD1 4.46Å; I155-L194 HydrophobicContact CG1-CB 4.12Å; I155-L194 HydrophobicContact CG1-CD1 4.18Å; I155-L194 HydrophobicContact CG2-CD1 4.36Å; I155-I195 HydrophobicContact CD1-CG1 4.12Å |
| 156 | K | 93.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 179.8 | -71.4 | 170.4 | -179.8 | -167.7 | 0 | 111.8 | I152 Q153 E154 T159 G160 V163 | I152-K156 VanDerWaalsContact O-CG 3.29Å; I152-K156 WeakPolarHBondContact O-CG 3.39Å; I152-K156 PolarHBondContact O-N 2.88Å; Q153-K156 WeakPolarHBondContact O-CB 3.34Å; Q153-K156 PolarHBondContact O-N 3.34Å; Q153-K156 VanDerWaalsContact O-N 3.16Å; E154-K156 PolarHBondContact O-N 2.75Å; K156-T159 PolarHBondContact O-N 2.93Å; K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.45Å; K156-V163 WeakPolarHBondContact CE-O 3.32Å; K156-V163 HydrophobicContact CG-CB 4.2Å; K156-V163 HydrophobicContact CG-CG2 4.32Å; K156-V163 PolarHBondContact NZ-O 3.49Å |
| 157 | E | 95.3 | Very high | 92.9 | Very high | 158 Ų | 158 | 68.2 Ų | 68.2 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | -179.2 | -171.8 | 174.3 | 170.7 | 0 | 0 | 111.9 | Q153 E154 I155 T159 | Q153-E157 PolarHBondContact O-N 3.2Å; E154-E157 PolarHBondContact O-N 3.03Å; I155-E157 PolarHBondContact O-N 2.95Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.09Å |
| 158 | K | 95.9 | Very high | 92.1 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.9 | -20.8 | -180 | -74.8 | -178 | 174.1 | 177.4 | 0 | 115 | E154 I155 L194 | E154-K158 HydrophobicContact CG-CD 3.99Å; E154-K158 HydrophobicContact CG-CG 4.48Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.29Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.34Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å; I155-K158 PolarHBondContact O-N 2.81Å; K158-L194 HydrophobicContact CB-CD1 4.27Å; K158-L194 HydrophobicContact CD-CD1 4.46Å |
| 159 | T | 95 | Very high | 90.7 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -119.8 | -18.5 | -169.1 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | I155 K156 E157 A161 Q187 A191 L194 | I155-T159 HydrophobicContact CG2-CG2 4.39Å; I155-T159 WeakPolarHBondContact O-CB 3.31Å; I155-T159 WeakPolarHBondContact O-CG2 3.47Å; I155-T159 PolarHBondContact O-N 3.25Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.49Å; K156-T159 PolarHBondContact O-N 2.93Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.09Å; T159-A161 PolarHBondContact O-N 2.85Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 3.09Å; T159-Q187 VanDerWaalsContact O-CB 3.27Å; T159-Q187 WeakPolarHBondContact O-CB 3.26Å; T159-Q187 VanDerWaalsContact O-CG 3.29Å; T159-Q187 WeakPolarHBondContact O-CG 3.29Å; T159-A191 HydrophobicContact CG2-CB 4.04Å; T159-L194 HydrophobicContact CG2-CD1 3.77Å |
| 160 | G | 92.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | trans | 70.5 | -6.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K156 | K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.45Å | ||
| 161 | A | 92.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | trans | -77.4 | 141.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T159 V163 V181 Q187 A191 | T159-A161 PolarHBondContact O-N 2.85Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 3.09Å; A161-V163 PolarHBondContact O-N 3.06Å; A161-V181 HydrophobicContact CB-CG1 4.05Å; A161-Q187 HydrophobicContact CB-CB 4.26Å; A161-A191 HydrophobicContact CB-CB 3.87Å | ||
| 162 | Y | 92.1 | Very high | 85.3 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 100.3 | 171.3 | -178.1 | -93.8 | 0 | 0 | 0 | 110.4 | Q164 V181 A182 | Y162-Q164 HydrophobicContact CE1-CB 3.84Å; Y162-Q164 PolarHBondContact OH-OE1 3.35Å; Y162-V181 WeakPolarHBondContact O-CA 3.43Å; Y162-A182 PolarHBondContact N-O 3.43Å; Y162-A182 PolarHBondContact O-N 2.97Å |
| 163 | V | 93.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.1 | 176 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | I152 I155 K156 A161 I179 V180 V181 A191 | I152-V163 HydrophobicContact CD1-CG1 4.06Å; I152-V163 HydrophobicContact CG1-CB 4.34Å; I152-V163 HydrophobicContact CG1-CG1 4.11Å; I155-V163 HydrophobicContact CG2-CG2 3.91Å; K156-V163 WeakPolarHBondContact CE-O 3.32Å; K156-V163 HydrophobicContact CG-CB 4.2Å; K156-V163 HydrophobicContact CG-CG2 4.32Å; K156-V163 PolarHBondContact NZ-O 3.49Å; A161-V163 PolarHBondContact O-N 3.06Å; V163-I179 HydrophobicContact CG1-CG2 3.74Å; V163-V180 CarbonylContact C-O 3.51Å; V163-V180 WeakPolarHBondContact CA-O 3.34Å; V163-V181 HydrophobicContact CG1-CG2 4.42Å; V163-V181 HydrophobicContact CG2-CG1 4.39Å; V163-V181 HydrophobicContact CG2-CG2 4.35Å; V163-A191 HydrophobicContact CG2-CB 4.47Å |
| 164 | Q | 91.2 | Very high | 82.6 | Confident | 41 Ų | 41 | 72 Ų | 72 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 141.8 | 176.8 | -168.5 | 169.8 | 30.2 | 0 | 0 | 110.3 | Y162 I179 V180 P225 | Y162-Q164 HydrophobicContact CE1-CB 3.84Å; Y162-Q164 PolarHBondContact OH-OE1 3.35Å; Q164-I179 CarbonylContact O-C 3.54Å; Q164-I179 WeakPolarHBondContact O-CA 3.14Å; Q164-V180 PolarHBondContact N-O 2.94Å; Q164-V180 PolarHBondContact O-N 2.84Å; Q164-P225 HydrophobicContact CG-CG 4.03Å |
| 165 | I | 91.2 | Very high | 81.8 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.6 | -177.4 | -57.2 | -176.1 | 0 | 0 | 0 | 109 | V144 I145 I152 R177 C178 I179 | V144-I165 HydrophobicContact CG1-CD1 4.13Å; I145-I165 HydrophobicContact CD1-CD1 4.44Å; I145-I165 HydrophobicContact CG1-CD1 3.74Å; I152-I165 HydrophobicContact CD1-CD1 3.84Å; I152-I165 HydrophobicContact CD1-CG1 3.88Å; I165-R177 HydrophobicContact CG2-CB 4.39Å; I165-C178 WeakPolarHBondContact CA-O 3.02Å; I165-I179 HydrophobicContact CD1-CD1 3.98Å; I165-I179 HydrophobicContact CD1-CG1 4.12Å; I165-I179 HydrophobicContact CG1-CB 4.33Å; I165-I179 HydrophobicContact CG1-CD1 4.32Å; I165-I179 HydrophobicContact CG1-CG1 3.94Å; I165-I179 HydrophobicContact CG1-CG2 4.04Å; I165-I179 HydrophobicContact CG2-CG1 4.44Å |
| 166 | S | 85.9 | Confident | 81.5 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | trans | -61.3 | 144.4 | 177.8 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | R177 C178 | S166-R177 WeakPolarHBondContact O-CD 3.49Å; S166-R177 WeakPolarHBondContact OG-CB 3.28Å; S166-C178 PolarHBondContact N-O 3.11Å; S166-C178 PolarHBondContact OG-N 3.48Å | ||
| 167 | Q | 83.1 | Confident | 81.2 | Confident | 139 Ų | 139 | 72.9 Ų | 72.9 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | trans | -69.4 | 155.3 | 178.5 | -59 | -169 | 21.5 | 0 | 0 | 110.7 | S169 P225 | Q167-S169 PolarHBondContact O-N 2.85Å; Q167-P225 HydrophobicContact CG-CB 4.44Å | ||
| 168 | K | 76.8 | Confident | 80.9 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | trans | -77.9 | 107.1 | 170.3 | -165.8 | -164.1 | 172.9 | -170.1 | 0 | 108.8 | N173 | K168-N173 WeakPolarHBondContact CE-OD1 3.4Å; K168-N173 PolarHBondContact NZ-OD1 3.38Å | ||
| 169 | S | 63 | Low | 80.7 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | trans | -56.5 | 139.3 | 166.9 | 35.5 | 0 | 0 | 0 | 0 | 111 | Q167 F172 | Q167-S169 PolarHBondContact O-N 2.85Å; S169-F172 WeakPolarHBondContact CB-O 3.37Å; S169-F172 PolarHBondContact OG-O 3.05Å | ||
| 170 | R | 58.8 | Low | 80.6 | Confident | 225 Ų | 225 | 58.7 Ų | 58.7 | 85% | 0.849 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -88.1 | -42.9 | 176.6 | -67.6 | -177.7 | -179.7 | 179.1 | 0.3 | 111.3 | ||
| 171 | E | 53.8 | Low | 80.6 | Confident | 122 Ų | 122 | 56.1 Ų | 56.1 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -67.7 | -36.5 | 176.1 | -62.1 | 100.5 | -77.8 | 0 | 0 | 113.5 | Y230 | E171-Y230 PolarHBondContact OE2-OH 3.16Å; E171-Y230 VanDerWaalsContact OE2-OH 3.05Å |
| 172 | F | 57.3 | Low | 80.5 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -113.8 | 107.5 | -178.5 | -60.7 | -80.4 | 0 | 0 | 0 | 111.1 | S169 L174 P219 | S169-F172 WeakPolarHBondContact CB-O 3.37Å; S169-F172 PolarHBondContact OG-O 3.05Å; F172-L174 PolarHBondContact O-N 2.93Å; F172-P219 WeakPolarHBondContact CD2-O 3.35Å; F172-P219 HydrophobicContact CE2-CG 4Å; F172-P219 WeakPolarHBondContact CE2-O 3.26Å; F172-P219 HydrophobicContact CZ-CG 4.17Å | ||
| 173 | N | 60.9 | Low | 80.4 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | trans | -81.4 | 62.4 | 173.8 | -76.2 | -76.6 | 0 | 0 | 0 | 111.6 | K168 L175 | K168-N173 WeakPolarHBondContact CE-OD1 3.4Å; K168-N173 PolarHBondContact NZ-OD1 3.38Å; N173-L175 PolarHBondContact O-N 3.04Å | ||
| 174 | L | 71.7 | Confident | 80.2 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | trans | -54.8 | 120.8 | 160.5 | -80.2 | 166.5 | 0 | 0 | 0 | 108.5 | N138 F172 E176 Y213 I216 V220 | N138-L174 PolarHBondContact ND2-O 3.33Å; F172-L174 PolarHBondContact O-N 2.93Å; L174-E176 PolarHBondContact O-N 3.48Å; L174-Y213 HydrophobicContact CD2-CE1 4.44Å; L174-I216 HydrophobicContact CD2-CD1 3.56Å; L174-V220 HydrophobicContact CD1-CG1 3.66Å; L174-V220 HydrophobicContact CD1-CG2 4.43Å | ||
| 175 | L | 78.8 | Confident | 80.1 | Confident | 114 Ų | 114 | 57.6 Ų | 57.6 | 60% | 0.597 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -68.6 | -15.7 | 179.6 | -62.7 | 178.9 | 0 | 0 | 0 | 112.4 | P137 N138 N173 | P137-L175 CarbonylContact C-O 3.53Å; P137-L175 WeakPolarHBondContact CA-O 3.49Å; N138-L175 PolarHBondContact N-O 2.87Å; N138-L175 PolarHBondContact ND2-O 2.97Å; N173-L175 PolarHBondContact O-N 3.04Å |
| 176 | E | 87.3 | Confident | 80.2 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.8 | -179.5 | -65.8 | 165.6 | -134 | 0 | 0 | 111.5 | K41 V136 L174 C208 Y213 | K41-E176 VanDerWaalsContact CD-OE2 3.26Å; K41-E176 WeakPolarHBondContact CD-OE2 3.46Å; K41-E176 IonicContact NZ-OE1 3.88Å; K41-E176 PolarHBondContact NZ-OE1 2.84Å; K41-E176 IonicContact NZ-OE2 3.54Å; K41-E176 PolarHBondContact NZ-OE2 2.72Å; V136-E176 CarbonylContact O-C 3.6Å; V136-E176 WeakPolarHBondContact O-CA 3.26Å; L174-E176 PolarHBondContact O-N 3.48Å; E176-C208 HydrophobicContact CG-CB 4.1Å; E176-C208 WeakPolarHBondContact OE1-CB 3.4Å; E176-Y213 PolarHBondContact OE1-OH 3.15Å; E176-Y213 PolarHBondContact OE2-OH 3.44Å |
| 177 | R | 87.9 | Confident | 80.5 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 153.9 | 171.1 | -60.7 | -167.5 | -158.5 | 163 | 12.4 | 110.1 | L135 V136 N138 A141 I165 S166 | L135-R177 WeakPolarHBondContact CA-O 3.4Å; V136-R177 PolarHBondContact N-O 3.22Å; V136-R177 PolarHBondContact O-N 3.12Å; N138-R177 VanDerWaalsContact OD1-CZ 3.3Å; N138-R177 PolarHBondContact OD1-NE 3.41Å; N138-R177 PolarHBondContact OD1-NH2 3.02Å; A141-R177 HydrophobicContact CB-CB 4.41Å; A141-R177 HydrophobicContact CB-CG 4.44Å; I165-R177 HydrophobicContact CG2-CB 4.39Å; S166-R177 WeakPolarHBondContact O-CD 3.49Å; S166-R177 WeakPolarHBondContact OG-CB 3.28Å |
| 178 | C | 89 | Confident | 81 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.7 | 174.1 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | I134 L135 I165 S166 V223 | I134-C178 CarbonylContact O-C 3.59Å; I134-C178 WeakPolarHBondContact O-CA 3.44Å; L135-C178 HydrophobicContact CD2-CB 3.95Å; I165-C178 WeakPolarHBondContact CA-O 3.02Å; S166-C178 PolarHBondContact N-O 3.11Å; S166-C178 PolarHBondContact OG-N 3.48Å; C178-V223 HydrophobicContact CB-CG1 4Å; C178-V223 HydrophobicContact CB-CG2 4.22Å |
| 179 | I | 93 | Very high | 81.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.5 | 165.4 | -50.1 | -169.1 | 0 | 0 | 0 | 107.3 | K133 I134 V136 V144 V163 Q164 I165 V181 I195 | K133-I179 CarbonylContact C-O 3.57Å; K133-I179 WeakPolarHBondContact CA-O 3.48Å; I134-I179 PolarHBondContact N-O 3.12Å; I134-I179 PolarHBondContact O-N 2.98Å; V136-I179 HydrophobicContact CG1-CD1 4.11Å; V136-I179 HydrophobicContact CG2-CD1 3.84Å; V136-I179 HydrophobicContact CG2-CG1 3.94Å; V144-I179 HydrophobicContact CB-CD1 4.31Å; V144-I179 HydrophobicContact CG1-CD1 3.91Å; V144-I179 HydrophobicContact CG2-CD1 4.36Å; V163-I179 HydrophobicContact CG1-CG2 3.74Å; Q164-I179 CarbonylContact O-C 3.54Å; Q164-I179 WeakPolarHBondContact O-CA 3.14Å; I165-I179 HydrophobicContact CD1-CD1 3.98Å; I165-I179 HydrophobicContact CD1-CG1 4.12Å; I165-I179 HydrophobicContact CG1-CB 4.33Å; I165-I179 HydrophobicContact CG1-CD1 4.32Å; I165-I179 HydrophobicContact CG1-CG1 3.94Å; I165-I179 HydrophobicContact CG1-CG2 4.04Å; I165-I179 HydrophobicContact CG2-CG1 4.44Å; I179-V181 HydrophobicContact CG2-CG2 4.04Å; I179-I195 HydrophobicContact CD1-CG2 4.24Å; I179-I195 HydrophobicContact CG2-CD1 4.11Å |
| 180 | V | 92.2 | Very high | 83.3 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.8 | 168.3 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | Q131 V132 K133 V163 Q164 V223 | Q131-V180 HydrophobicContact CB-CG1 4.25Å; V132-V180 CarbonylContact O-C 3.58Å; V132-V180 WeakPolarHBondContact O-CA 3.25Å; K133-V180 HydrophobicContact CG-CG1 4.4Å; K133-V180 HydrophobicContact CG-CG2 4.27Å; V163-V180 CarbonylContact C-O 3.51Å; V163-V180 WeakPolarHBondContact CA-O 3.34Å; Q164-V180 PolarHBondContact N-O 2.94Å; Q164-V180 PolarHBondContact O-N 2.84Å; V180-V223 HydrophobicContact CG2-CG1 3.93Å |
| 181 | V | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.5 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | Q131 V132 A161 Y162 V163 I179 T188 A191 I195 | Q131-V181 CarbonylContact C-O 3.55Å; Q131-V181 VanDerWaalsContact CA-O 3.27Å; Q131-V181 WeakPolarHBondContact CA-O 3.24Å; V132-V181 PolarHBondContact N-O 2.93Å; V132-V181 PolarHBondContact O-N 2.81Å; A161-V181 HydrophobicContact CB-CG1 4.05Å; Y162-V181 WeakPolarHBondContact O-CA 3.43Å; V163-V181 HydrophobicContact CG1-CG2 4.42Å; V163-V181 HydrophobicContact CG2-CG1 4.39Å; V163-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 HydrophobicContact CG2-CG2 4.04Å; V181-T188 HydrophobicContact CG1-CG2 3.98Å; V181-A191 HydrophobicContact CG1-CB 3.77Å; V181-I195 HydrophobicContact CG2-CD1 3.82Å |
| 182 | A | 90.5 | Very high | 86.9 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K130 Q131 Y162 | K130-A182 WeakPolarHBondContact O-CA 3.35Å; Q131-A182 HydrophobicContact CB-CB 3.81Å; Y162-A182 PolarHBondContact N-O 3.43Å; Y162-A182 PolarHBondContact O-N 2.97Å |
| 183 | G | 88.8 | Confident | 88.6 | Confident | 25 Ų | 25 | 41.2 Ų | 41.2 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 163.8 | -157.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K130 | K130-G183 PolarHBondContact O-N 3.31Š|
| 184 | E | 89.8 | Confident | 90.2 | Very high | 123 Ų | 123 | 37.8 Ų | 37.8 | 58% | 0.575 | 20% | 0.196 | S | C | * | . | trans | -74 | 161.7 | 166.9 | -170.2 | 154.1 | -130.3 | 0 | 0 | 111.3 | D186 Q187 T188 | E184-D186 PolarHBondContact O-N 3.43Å; E184-Q187 HydrophobicContact CB-CB 4.33Å; E184-Q187 HydrophobicContact CB-CG 3.91Å; E184-Q187 PolarHBondContact O-N 2.7Å; E184-T188 VanDerWaalsContact O-CB 3.24Å; E184-T188 WeakPolarHBondContact O-CB 3.4Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.79Å | ||
| 185 | L | 89.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 20% | 0.199 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | -176.8 | 178 | 53.5 | 0 | 0 | 0 | 111.9 | M105 M109 T188 R189 | M105-L185 HydrophobicContact CB-CD1 4.21Å; M109-L185 HydrophobicContact CE-CB 4.17Å; M109-L185 HydrophobicContact CE-CD2 4.5Å; M109-L185 HydrophobicContact SD-CB 3.95Å; M109-L185 HydrophobicContact SD-CD1 3.8Å; M109-L185 HydrophobicContact SD-CD2 4.25Å; M109-L185 HydrophobicContact SD-CG 4.21Å; L185-T188 PolarHBondContact O-N 2.95Å; L185-R189 HydrophobicContact CD1-CG 4.17Å; L185-R189 WeakPolarHBondContact O-CB 3.4Å; L185-R189 WeakPolarHBondContact O-CG 3.39Å; L185-R189 PolarHBondContact O-N 2.88Å |
| 186 | D | 92 | Very high | 92 | Very high | 97 Ų | 97 | 31.3 Ų | 31.3 | 52% | 0.519 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -77.5 | -33.2 | -176.5 | -58.8 | -49.5 | 0 | 0 | 0 | 112.9 | E184 T188 R189 S190 | E184-D186 PolarHBondContact O-N 3.43Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.13Å; D186-R189 PolarHBondContact O-N 3.12Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NH1 3.84Å; D186-R189 PolarHBondContact OD1-NH1 3.49Å; D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.49Å; D186-S190 PolarHBondContact O-N 3.35Å |
| 187 | Q | 93.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 30% | 0.304 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 168.1 | -62.9 | 174.9 | -8.5 | 0 | 0 | 110.7 | T159 A161 E184 S190 A191 | T159-Q187 VanDerWaalsContact O-CB 3.27Å; T159-Q187 WeakPolarHBondContact O-CB 3.26Å; T159-Q187 VanDerWaalsContact O-CG 3.29Å; T159-Q187 WeakPolarHBondContact O-CG 3.29Å; A161-Q187 HydrophobicContact CB-CB 4.26Å; E184-Q187 HydrophobicContact CB-CB 4.33Å; E184-Q187 HydrophobicContact CB-CG 3.91Å; E184-Q187 PolarHBondContact O-N 2.7Å; Q187-S190 PolarHBondContact O-N 3.16Å; Q187-A191 WeakPolarHBondContact O-CB 3.41Å; Q187-A191 PolarHBondContact O-N 3.39Å |
| 188 | T | 92.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | -179.4 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | V132 V181 E184 L185 D186 S190 A191 V192 | V132-T188 HydrophobicContact CB-CG2 4.03Å; V132-T188 HydrophobicContact CG2-CG2 3.43Å; V132-T188 VanDerWaalsContact CG2-CG2 3.43Å; V181-T188 HydrophobicContact CG1-CG2 3.98Å; E184-T188 VanDerWaalsContact O-CB 3.24Å; E184-T188 WeakPolarHBondContact O-CB 3.4Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.79Å; L185-T188 PolarHBondContact O-N 2.95Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.13Å; T188-S190 VanDerWaalsContact C-N 3.31Å; T188-S190 PolarHBondContact O-N 3.01Å; T188-A191 PolarHBondContact O-N 2.84Å; T188-V192 WeakPolarHBondContact O-CG2 3.32Å; T188-V192 PolarHBondContact O-N 3.34Å |
| 189 | R | 93.4 | Very high | 92.5 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 25% | 0.253 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.3 | -45 | 173.6 | -73.5 | 165 | 169.9 | 177.3 | -7.9 | 111.4 | D106 L185 D186 V192 H193 | D106-R189 IonicContact OD1-CZ 2.76Å; D106-R189 IonicContact OD1-NE 3.57Å; D106-R189 IonicContact OD1-NH2 3.42Å; D106-R189 PolarHBondContact OD1-NH2 3.45Å; D106-R189 IonicContact OD2-NH2 3.7Å; D106-R189 PolarHBondContact OD2-NH2 3.32Å; L185-R189 HydrophobicContact CD1-CG 4.17Å; L185-R189 WeakPolarHBondContact O-CB 3.4Å; L185-R189 WeakPolarHBondContact O-CG 3.39Å; L185-R189 PolarHBondContact O-N 2.88Å; D186-R189 PolarHBondContact O-N 3.12Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NH1 3.84Å; D186-R189 PolarHBondContact OD1-NH1 3.49Å; R189-V192 PolarHBondContact O-N 2.79Å; R189-H193 WeakPolarHBondContact O-CB 3.19Å; R189-H193 PolarHBondContact O-N 2.9Å |
| 190 | S | 94.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 35 Ų | 35 | 37% | 0.371 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.2 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | D186 Q187 T188 V192 H193 L194 | D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.49Å; D186-S190 PolarHBondContact O-N 3.35Å; Q187-S190 PolarHBondContact O-N 3.16Å; T188-S190 VanDerWaalsContact C-N 3.31Å; T188-S190 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact O-N 2.85Å; S190-H193 WeakPolarHBondContact O-CB 3.31Å; S190-H193 PolarHBondContact O-N 2.95Å; S190-L194 PolarHBondContact O-N 2.77Å; S190-L194 VanDerWaalsContact O-N 3.12Å |
| 191 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I155 T159 A161 V163 V181 Q187 T188 L194 I195 | I155-A191 HydrophobicContact CG2-CB 4.08Å; T159-A191 HydrophobicContact CG2-CB 4.04Å; A161-A191 HydrophobicContact CB-CB 3.87Å; V163-A191 HydrophobicContact CG2-CB 4.47Å; V181-A191 HydrophobicContact CG1-CB 3.77Å; Q187-A191 WeakPolarHBondContact O-CB 3.41Å; Q187-A191 PolarHBondContact O-N 3.39Å; T188-A191 PolarHBondContact O-N 2.84Å; A191-L194 PolarHBondContact O-N 3.09Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.49Å; A191-I195 PolarHBondContact O-N 3.39Å |
| 192 | V | 94 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -33.8 | 176.5 | 178 | 0 | 0 | 0 | 0 | 111.8 | I134 T188 R189 S190 L194 I195 L196 | I134-V192 HydrophobicContact CD1-CB 4.15Å; I134-V192 HydrophobicContact CD1-CG1 3.56Å; I134-V192 HydrophobicContact CD1-CG2 3.56Å; T188-V192 WeakPolarHBondContact O-CG2 3.32Å; T188-V192 PolarHBondContact O-N 3.34Å; R189-V192 PolarHBondContact O-N 2.79Å; S190-V192 PolarHBondContact O-N 2.85Å; V192-L194 PolarHBondContact O-N 3.04Å; V192-I195 PolarHBondContact O-N 2.83Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.28Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.16Å; V192-L196 PolarHBondContact O-N 2.94Å |
| 193 | H | 94.1 | Very high | 91 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 171.9 | -173.9 | -92.9 | 0 | 0 | 0 | 112.3 | F94 R189 S190 L196 N197 | F94-H193 AromaticContact CE1-NE2 3.82Å; F94-H193 AromaticContact CZ-NE2 3.9Å; R189-H193 WeakPolarHBondContact O-CB 3.19Å; R189-H193 PolarHBondContact O-N 2.9Å; S190-H193 WeakPolarHBondContact O-CB 3.31Å; S190-H193 PolarHBondContact O-N 2.95Å; H193-L196 PolarHBondContact O-N 2.67Å; H193-N197 PolarHBondContact O-N 3.11Å; H193-N197 VanDerWaalsContact O-N 3.14Å; H193-N197 PolarHBondContact O-ND2 3.33Å; H193-N197 VanDerWaalsContact O-ND2 3.11Å |
| 194 | L | 94.2 | Very high | 90.1 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 174.3 | -65.7 | 179.5 | 0 | 0 | 0 | 112.5 | I155 K158 T159 S190 A191 V192 L196 N197 V198 | I155-L194 HydrophobicContact CB-CD1 4.46Å; I155-L194 HydrophobicContact CG1-CB 4.12Å; I155-L194 HydrophobicContact CG1-CD1 4.18Å; I155-L194 HydrophobicContact CG2-CD1 4.36Å; K158-L194 HydrophobicContact CB-CD1 4.27Å; K158-L194 HydrophobicContact CD-CD1 4.46Å; T159-L194 HydrophobicContact CG2-CD1 3.77Å; S190-L194 PolarHBondContact O-N 2.77Å; S190-L194 VanDerWaalsContact O-N 3.12Å; A191-L194 PolarHBondContact O-N 3.09Å; V192-L194 PolarHBondContact O-N 3.04Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L194-N197 PolarHBondContact O-N 2.73Å; L194-V198 PolarHBondContact O-N 2.9Å |
| 195 | I | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 175.7 | -67.4 | 162.6 | 0 | 0 | 0 | 110.9 | V144 I155 I179 V181 A191 V192 N197 V198 I199 | V144-I195 HydrophobicContact CG1-CG1 4.18Å; V144-I195 HydrophobicContact CG2-CG2 4.36Å; I155-I195 HydrophobicContact CD1-CG1 4.12Å; I179-I195 HydrophobicContact CD1-CG2 4.24Å; I179-I195 HydrophobicContact CG2-CD1 4.11Å; V181-I195 HydrophobicContact CG2-CD1 3.82Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.49Å; A191-I195 PolarHBondContact O-N 3.39Å; V192-I195 PolarHBondContact O-N 2.83Å; I195-N197 VanDerWaalsContact C-N 3.35Å; I195-N197 PolarHBondContact O-N 2.69Å; I195-V198 PolarHBondContact O-N 2.91Å; I195-V198 VanDerWaalsContact O-N 3.13Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.42Å; I195-I199 WeakPolarHBondContact O-CG1 3.44Å; I195-I199 PolarHBondContact O-N 2.73Å |
| 196 | L | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 177 | -87 | 167.7 | 0 | 0 | 0 | 113.1 | V38 L40 F94 V97 I98 V192 H193 L194 V198 I199 A200 | V38-L196 HydrophobicContact CG1-CD2 4.16Å; L40-L196 HydrophobicContact CB-CD2 4.19Å; L40-L196 HydrophobicContact CD1-CD2 4.04Å; L40-L196 HydrophobicContact CD2-CD1 4.34Å; L40-L196 HydrophobicContact CD2-CD2 4.15Å; L40-L196 HydrophobicContact CG-CD2 4.35Å; F94-L196 HydrophobicContact CE2-CB 3.95Å; V97-L196 HydrophobicContact CG1-CD1 4.24Å; V97-L196 HydrophobicContact CG1-CD2 3.76Å; I98-L196 HydrophobicContact CG1-CD1 3.7Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.28Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.16Å; V192-L196 PolarHBondContact O-N 2.94Å; H193-L196 PolarHBondContact O-N 2.67Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 2.84Å; L196-I199 HydrophobicContact CD2-CD1 4.28Å; L196-I199 PolarHBondContact O-N 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 3.03Å |
| 197 | N | 92.8 | Very high | 86.8 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 172.6 | -75.1 | -48.7 | 0 | 0 | 0 | 111.8 | F94 H193 L194 I195 T201 | F94-N197 WeakPolarHBondContact CZ-OD1 3.43Å; H193-N197 PolarHBondContact O-N 3.11Å; H193-N197 VanDerWaalsContact O-N 3.14Å; H193-N197 PolarHBondContact O-ND2 3.33Å; H193-N197 VanDerWaalsContact O-ND2 3.11Å; L194-N197 PolarHBondContact O-N 2.73Å; I195-N197 VanDerWaalsContact C-N 3.35Å; I195-N197 PolarHBondContact O-N 2.69Å; N197-T201 WeakPolarHBondContact O-CB 3.49Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.4Å |
| 198 | V | 92 | Very high | 85.2 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -41.1 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | T140 M143 V144 Y151 L194 I195 L196 A200 T201 D202 | T140-V198 HydrophobicContact CG2-CG1 4.39Å; M143-V198 HydrophobicContact CB-CG1 3.45Å; M143-V198 VanDerWaalsContact CB-CG1 3.45Å; V144-V198 HydrophobicContact CG2-CB 3.86Å; V144-V198 HydrophobicContact CG2-CG1 3.68Å; V144-V198 HydrophobicContact CG2-CG2 4.28Å; Y151-V198 HydrophobicContact CD1-CG2 4.1Å; Y151-V198 HydrophobicContact CE1-CG2 3.33Å; L194-V198 PolarHBondContact O-N 2.9Å; I195-V198 PolarHBondContact O-N 2.91Å; I195-V198 VanDerWaalsContact O-N 3.13Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 2.84Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 2.63Å; V198-T201 PolarHBondContact O-N 2.87Å; V198-D202 PolarHBondContact O-N 2.91Å |
| 199 | I | 91.3 | Very high | 84.1 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.5 | -65.2 | 167.9 | 0 | 0 | 0 | 110.6 | V38 Q39 L40 V136 T140 I195 L196 T201 D202 S205 | V38-I199 HydrophobicContact CG1-CG2 3.99Å; Q39-I199 WeakPolarHBondContact O-CG2 3.36Å; L40-I199 HydrophobicContact CD1-CD1 3.91Å; V136-I199 HydrophobicContact CG1-CD1 3.96Å; V136-I199 HydrophobicContact CG1-CG1 4.21Å; T140-I199 HydrophobicContact CG2-CB 4.41Å; T140-I199 HydrophobicContact CG2-CG1 3.9Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.42Å; I195-I199 WeakPolarHBondContact O-CG1 3.44Å; I195-I199 PolarHBondContact O-N 2.73Å; L196-I199 HydrophobicContact CD2-CD1 4.28Å; L196-I199 PolarHBondContact O-N 3.27Å; I199-T201 VanDerWaalsContact C-N 3.33Å; I199-T201 PolarHBondContact O-N 3.15Å; I199-D202 PolarHBondContact O-N 2.75Å; I199-S205 WeakPolarHBondContact O-CB 3.27Å; I199-S205 PolarHBondContact O-OG 3.26Å |
| 200 | A | 89.3 | Confident | 83 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V38 F94 L196 V198 | V38-A200 HydrophobicContact CG2-CB 3.8Å; F94-A200 HydrophobicContact CD2-CB 4.2Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 3.03Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 2.63Å |
| 201 | T | 88.8 | Confident | 81.8 | Confident | 106 Ų | 106 | 43.5 Ų | 43.5 | 65% | 0.65 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -78.3 | -26.5 | 176.9 | -56 | 0 | 0 | 0 | 0 | 112.8 | N197 V198 I199 P203 | N197-T201 WeakPolarHBondContact O-CB 3.49Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.4Å; V198-T201 PolarHBondContact O-N 2.87Å; I199-T201 VanDerWaalsContact C-N 3.33Å; I199-T201 PolarHBondContact O-N 3.15Å; T201-P203 VanDerWaalsContact O-CD 3.31Å; T201-P203 WeakPolarHBondContact O-CD 3.19Å |
| 202 | D | 85.8 | Confident | 80.6 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | trans | -91.1 | 107.5 | 178.7 | -179.2 | 8.4 | 0 | 0 | 0 | 111.6 | S139 T140 V198 I199 Q204 S205 | S139-D202 PolarHBondContact OG-OD2 3.25Å; S139-D202 VanDerWaalsContact OG-OD2 3.04Å; T140-D202 WeakPolarHBondContact CA-OD2 3.42Å; T140-D202 WeakPolarHBondContact CB-OD2 3.36Å; T140-D202 HydrophobicContact CG2-CB 4.1Å; T140-D202 PolarHBondContact N-OD2 2.97Å; T140-D202 VanDerWaalsContact N-OD2 3.15Å; T140-D202 PolarHBondContact OG1-OD2 3.39Å; V198-D202 PolarHBondContact O-N 2.91Å; I199-D202 PolarHBondContact O-N 2.75Å; D202-Q204 PolarHBondContact O-N 3.03Å; D202-Q204 VanDerWaalsContact O-N 3.11Å; D202-Q204 WeakPolarHBondContact OD1-CA 3Å; D202-Q204 VanDerWaalsContact OD1-CB 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.18Å; D202-Q204 PolarHBondContact OD1-N 2.81Å; D202-S205 VanDerWaalsContact O-CB 3.25Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.29Å; D202-S205 PolarHBondContact O-OG 2.86Å | ||
| 203 | P | 73.8 | Confident | 79.6 | Confident | 118 Ų | 118 | 46.7 Ų | 46.7 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.8 | 177.5 | 28.9 | -36 | 0 | 0 | 0 | 113 | T201 S205 | T201-P203 VanDerWaalsContact O-CD 3.31Å; T201-P203 WeakPolarHBondContact O-CD 3.19Å; P203-S205 VanDerWaalsContact C-N 3.33Å |
| 204 | Q | 69 | Low | 78.1 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -82.2 | -7.3 | 174.3 | -58 | -165.7 | -4.5 | 0 | 0 | 113.5 | D202 A206 S207 | D202-Q204 PolarHBondContact O-N 3.03Å; D202-Q204 VanDerWaalsContact O-N 3.11Å; D202-Q204 WeakPolarHBondContact OD1-CA 3Å; D202-Q204 VanDerWaalsContact OD1-CB 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.18Å; D202-Q204 PolarHBondContact OD1-N 2.81Å; Q204-A206 PolarHBondContact O-N 3.12Å; Q204-A206 VanDerWaalsContact O-N 3.13Å; Q204-S207 WeakPolarHBondContact CA-OG 3.28Å; Q204-S207 WeakPolarHBondContact O-CB 3.46Å; Q204-S207 PolarHBondContact O-N 2.67Å; Q204-S207 PolarHBondContact O-OG 3.49Å |
| 205 | S | 71.1 | Confident | 76.4 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -52 | -36.1 | 175.9 | -69.1 | 0 | 0 | 0 | 0 | 113.3 | T140 I199 D202 P203 S207 | T140-S205 PolarHBondContact OG1-OG 2.91Å; I199-S205 WeakPolarHBondContact O-CB 3.27Å; I199-S205 PolarHBondContact O-OG 3.26Å; D202-S205 VanDerWaalsContact O-CB 3.25Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.29Å; D202-S205 PolarHBondContact O-OG 2.86Å; P203-S205 VanDerWaalsContact C-N 3.33Å; S205-S207 VanDerWaalsContact C-N 3.27Å; S205-S207 PolarHBondContact O-N 3.39Å |
| 206 | A | 68.3 | Low | 74.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 37% | 0.372 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -75.1 | -5.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q204 C208 | Q204-A206 PolarHBondContact O-N 3.12Å; Q204-A206 VanDerWaalsContact O-N 3.13Å; A206-C208 PolarHBondContact O-N 2.84Å; A206-C208 VanDerWaalsContact O-N 3.17Å |
| 207 | S | 62.1 | Low | 72.8 | Confident | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -70.7 | -11.9 | -168.4 | -53.7 | 0 | 0 | 0 | 0 | 115.1 | Q204 S205 | Q204-S207 WeakPolarHBondContact CA-OG 3.28Å; Q204-S207 WeakPolarHBondContact O-CB 3.46Å; Q204-S207 PolarHBondContact O-N 2.67Å; Q204-S207 PolarHBondContact O-OG 3.49Å; S205-S207 VanDerWaalsContact C-N 3.27Å; S205-S207 PolarHBondContact O-N 3.39Å |
| 208 | C | 60.1 | Low | 70.8 | Confident | 15 Ų | 15 | 64 Ų | 64 | 10% | 0.101 | 38% | 0.376 | C | S | . | . | trans | -134.9 | 74 | -174.4 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | K41 E176 A206 N210 | K41-C208 WeakPolarHBondContact CE-O 3.43Å; K41-C208 PolarHBondContact NZ-O 3.42Å; E176-C208 HydrophobicContact CG-CB 4.1Å; E176-C208 WeakPolarHBondContact OE1-CB 3.4Å; A206-C208 PolarHBondContact O-N 2.84Å; A206-C208 VanDerWaalsContact O-N 3.17Å; C208-N210 PolarHBondContact O-N 3.48Å; C208-N210 VanDerWaalsContact O-N 3.11Å | ||
| 209 | P | 70.6 | Confident | 68.9 | Low | 66 Ų | 66 | 67.7 Ų | 67.7 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | trans | -78.2 | 15 | -179.3 | 33.8 | -37.6 | 0 | 0 | 0 | 114.3 | L211 | P209-L211 WeakPolarHBondContact O-CD1 3.39Š| ||
| 210 | N | 68.9 | Low | 67.1 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 47% | 0.465 | 40% | 0.404 | S | S | . | . | trans | -66.4 | 131.6 | -172.3 | -65.3 | -23.5 | 0 | 0 | 0 | 112.8 | K41 C208 | K41-N210 WeakPolarHBondContact CE-O 3.29Å; K41-N210 PolarHBondContact NZ-O 2.89Å; C208-N210 PolarHBondContact O-N 3.48Å; C208-N210 VanDerWaalsContact O-N 3.11Å | ||
| 211 | L | 70.4 | Confident | 65.6 | Low | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | trans | -111 | -20.7 | 169.1 | -56.8 | 94.6 | 0 | 0 | 0 | 113.1 | K72 L89 P209 | K72-L211 HydrophobicContact CB-CD2 4.03Å; K72-L211 HydrophobicContact CD-CD1 3.85Å; K72-L211 HydrophobicContact CD-CD2 3.75Å; K72-L211 HydrophobicContact CD-CG 4.48Å; K72-L211 HydrophobicContact CG-CD2 3.69Å; K72-L211 WeakPolarHBondContact O-CD2 3.46Å; L89-L211 HydrophobicContact CB-CD2 3.93Å; L89-L211 HydrophobicContact CB-CG 4.21Å; L89-L211 HydrophobicContact CD2-CD1 3.88Å; L89-L211 HydrophobicContact CD2-CG 4.32Å; P209-L211 WeakPolarHBondContact O-CD1 3.39Å | ||
| 212 | S | 68.5 | Low | 64 | Low | 48 Ų | 48 | 64.9 Ų | 64.9 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | trans | -88.9 | 134.8 | 175.4 | 176 | 0 | 0 | 0 | 0 | 109.9 | E78 H214 | E78-S212 VanDerWaalsContact OE1-CA 3.23Å; E78-S212 WeakPolarHBondContact OE1-CA 3.49Å; E78-S212 VanDerWaalsContact OE1-CB 3.24Å; E78-S212 WeakPolarHBondContact OE1-CB 3.44Å; S212-H214 PolarHBondContact OG-ND1 2.78Å | ||
| 213 | Y | 74.1 | Confident | 62.7 | Low | 20 Ų | 20 | 64.3 Ų | 64.3 | 8% | 0.078 | 38% | 0.38 | C | S | . | . | trans | -128.7 | 12.8 | 174.2 | -70 | -76.3 | 0 | 0 | 0 | 112.7 | Y80 V87 L174 E176 D215 I216 | Y80-Y213 HydrophobicContact CD2-CD2 4.04Å; Y80-Y213 HydrophobicContact CD2-CE1 4.41Å; Y80-Y213 AromaticContact CD2-CE2 3.68Å; Y80-Y213 HydrophobicContact CD2-CE2 3.68Å; Y80-Y213 AromaticContact CD2-CZ 3.87Å; Y80-Y213 HydrophobicContact CE2-CE1 4.17Å; Y80-Y213 HydrophobicContact CE2-CE2 4.14Å; Y80-Y213 AromaticContact CE2-CZ 3.82Å; V87-Y213 HydrophobicContact CG2-CD2 4.15Å; V87-Y213 HydrophobicContact CG2-CE2 3.94Å; L174-Y213 HydrophobicContact CD2-CE1 4.44Å; E176-Y213 PolarHBondContact OE1-OH 3.15Å; E176-Y213 PolarHBondContact OE2-OH 3.44Å; Y213-D215 PolarHBondContact O-N 2.72Å; Y213-D215 VanDerWaalsContact O-N 3.12Å; Y213-I216 HydrophobicContact CD1-CD1 3.76Å; Y213-I216 HydrophobicContact CE1-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.06Å | ||
| 214 | H | 61.5 | Low | 62 | Low | 100 Ų | 100 | 62.1 Ų | 62.1 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.8 | -175.7 | -63.5 | 94.1 | 0 | 0 | 0 | 113.8 | E78 S212 I216 | E78-H214 VanDerWaalsContact CG-CE1 3.42Å; E78-H214 WeakPolarHBondContact CG-CE1 3.49Å; E78-H214 IonicContact OE1-CE1 2.67Å; E78-H214 PolarHBondContact OE1-CE1 3.02Å; E78-H214 VanDerWaalsContact OE1-CE1 3.24Å; E78-H214 IonicContact OE1-ND1 2.76Å; S212-H214 PolarHBondContact OG-ND1 2.78Å; H214-I216 VanDerWaalsContact C-N 3.27Å; H214-I216 PolarHBondContact O-N 3.13Å |
| 215 | D | 60 | Low | 61.3 | Low | 150 Ų | 150 | 58.7 Ų | 58.7 | 80% | 0.802 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.8 | -178 | -45.6 | -70.9 | 0 | 0 | 0 | 113.4 | Y213 Q217 | Y213-D215 PolarHBondContact O-N 2.72Å; Y213-D215 VanDerWaalsContact O-N 3.12Å; D215-Q217 PolarHBondContact O-N 3.21Å |
| 216 | I | 60.7 | Low | 60.4 | Low | 57 Ų | 57 | 63.3 Ų | 63.3 | 29% | 0.292 | 37% | 0.372 | S | S | . | . | trans | -94.8 | 73.7 | -178.5 | -48.6 | -168.1 | 0 | 0 | 0 | 110.5 | P81 L174 Y213 H214 V220 | P81-I216 HydrophobicContact CG-CG2 4.48Å; L174-I216 HydrophobicContact CD2-CD1 3.56Å; Y213-I216 HydrophobicContact CD1-CD1 3.76Å; Y213-I216 HydrophobicContact CE1-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.06Å; H214-I216 VanDerWaalsContact C-N 3.27Å; H214-I216 PolarHBondContact O-N 3.13Å; I216-V220 HydrophobicContact CG2-CG2 3.92Å | ||
| 217 | Q | 50.1 | Low | 59.2 | Low | 189 Ų | 189 | 64.5 Ų | 64.5 | 88% | 0.883 | 39% | 0.389 | S | S | * | . | trans | -88.1 | 107.1 | 168.6 | -73.1 | -171.6 | -15.2 | 0 | 0 | 111.1 | D215 | D215-Q217 PolarHBondContact O-N 3.21Š| ||
| 218 | G | 51.3 | Low | 58.2 | Low | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 173.6 | 166.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V220 | G218-V220 VanDerWaalsContact C-N 3.33Å; G218-V220 PolarHBondContact O-N 3.2Å |
| 219 | P | 52.4 | Low | 57.9 | Low | 90 Ų | 90 | 68.8 Ų | 68.8 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | trans | -67.9 | 87 | 174.8 | 27.3 | -34.9 | 0 | 0 | 0 | 111.4 | F172 | F172-P219 WeakPolarHBondContact CD2-O 3.35Å; F172-P219 HydrophobicContact CE2-CG 4Å; F172-P219 WeakPolarHBondContact CE2-O 3.26Å; F172-P219 HydrophobicContact CZ-CG 4.17Å | ||
| 220 | V | 53.1 | Low | 56.8 | Low | 21 Ų | 21 | 72.9 Ų | 72.9 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 137.6 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | P81 L174 I216 G218 S222 | P81-V220 HydrophobicContact CB-CB 4.27Å; P81-V220 HydrophobicContact CB-CG1 4.5Å; P81-V220 HydrophobicContact CB-CG2 3.85Å; P81-V220 HydrophobicContact CG-CG1 4.42Å; P81-V220 HydrophobicContact CG-CG2 4.06Å; L174-V220 HydrophobicContact CD1-CG1 3.66Å; L174-V220 HydrophobicContact CD1-CG2 4.43Å; I216-V220 HydrophobicContact CG2-CG2 3.92Å; G218-V220 VanDerWaalsContact C-N 3.33Å; G218-V220 PolarHBondContact O-N 3.2Å; V220-S222 PolarHBondContact O-N 3.34Å |
| 221 | A | 56.4 | Low | 55.4 | Low | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 131.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V223 | A221-V223 PolarHBondContact O-N 3.31Š|
| 222 | S | 55.9 | Low | 54.3 | Low | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 132.4 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | V220 Y224 | V220-S222 PolarHBondContact O-N 3.34Å; S222-Y224 WeakPolarHBondContact CB-O 3.43Å; S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 PolarHBondContact OG-N 3.17Å; S222-Y224 PolarHBondContact OG-O 3.2Å |
| 223 | V | 59.4 | Low | 53.1 | Low | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.036 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -60.1 | -20.6 | 169.7 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | Y80 T83 K133 C178 V180 A221 P225 | Y80-V223 HydrophobicContact CD1-CG2 4.43Å; Y80-V223 HydrophobicContact CE1-CG2 4.21Å; T83-V223 HydrophobicContact CG2-CB 4.3Å; T83-V223 HydrophobicContact CG2-CG2 3.7Å; K133-V223 HydrophobicContact CD-CG1 4.25Å; C178-V223 HydrophobicContact CB-CG1 4Å; C178-V223 HydrophobicContact CB-CG2 4.22Å; V180-V223 HydrophobicContact CG2-CG1 3.93Å; A221-V223 PolarHBondContact O-N 3.31Å; V223-P225 WeakPolarHBondContact O-CD 3.23Å |
| 224 | Y | 57.5 | Low | 51.6 | Low | 72 Ų | 72 | 86 Ų | 86 | 28% | 0.282 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -103.7 | 109.5 | 173 | -49.6 | -77.3 | 0 | 0 | 0 | 110.5 | R128 Q131 K133 S222 T226 | R128-Y224 WeakPolarHBondContact CD-OH 3.34Å; Q131-Y224 PolarHBondContact NE2-OH 2.78Å; Q131-Y224 VanDerWaalsContact NE2-OH 3.11Å; K133-Y224 PolarHBondContact NZ-OH 3.33Å; S222-Y224 WeakPolarHBondContact CB-O 3.43Å; S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 PolarHBondContact OG-N 3.17Å; S222-Y224 PolarHBondContact OG-O 3.2Å; Y224-T226 PolarHBondContact O-N 3.21Å |
| 225 | P | 55.2 | Low | 50.7 | Low | 34 Ų | 34 | 87.2 Ų | 87.2 | 22% | 0.221 | 52% | 0.52 | C | S | . | . | trans | -70.3 | 21.5 | -177.3 | -22.6 | 35.2 | 0 | 0 | 0 | 117.1 | Q164 Q167 V223 | Q164-P225 HydrophobicContact CG-CG 4.03Å; Q167-P225 HydrophobicContact CG-CB 4.44Å; V223-P225 WeakPolarHBondContact O-CD 3.23Å | ||
| 226 | T | 52.2 | Low | 49.4 | Very low | 113 Ų | 113 | 85.6 Ų | 85.6 | 69% | 0.693 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -103.9 | 89.6 | -171.6 | 52 | 0 | 0 | 0 | 0 | 112 | Y224 | Y224-T226 PolarHBondContact O-N 3.21Š|
| 227 | G | 42.6 | Very low | 48.5 | Very low | 70 Ų | 70 | 92.4 Ų | 92.4 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 117.7 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 228 | S | 41.4 | Very low | 47.8 | Very low | 89 Ų | 89 | 91.5 Ų | 91.5 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | trans | -57.9 | 144.3 | -172.6 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | Y230 A231 | S228-Y230 PolarHBondContact O-N 2.84Å; S228-A231 PolarHBondContact O-N 2.88Å | ||
| 229 | P | 52.9 | Low | 47 | Very low | 94 Ų | 94 | 95.9 Ų | 95.9 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -1.8 | -172.5 | 28.5 | -36.6 | 0 | 0 | 0 | 115.1 | ||
| 230 | Y | 48.1 | Very low | 46.2 | Very low | 151 Ų | 151 | 96.7 Ų | 96.7 | 59% | 0.592 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 26.4 | -179.9 | -59.2 | -63.2 | 0 | 0 | 0 | 113 | E171 S228 T232 | E171-Y230 PolarHBondContact OE2-OH 3.16Å; E171-Y230 VanDerWaalsContact OE2-OH 3.05Å; S228-Y230 PolarHBondContact O-N 2.84Å; Y230-T232 VanDerWaalsContact C-N 3.3Å; Y230-T232 PolarHBondContact O-N 3.06Å |
| 231 | A | 40.4 | Very low | 45.4 | Very low | 74 Ų | 74 | 100.7 Ų | 100.7 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | trans | -66.3 | 87.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S228 | S228-A231 PolarHBondContact O-N 2.88Š| ||
| 232 | T | 47.4 | Very low | 44.5 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | trans | -60.9 | 133.3 | 174 | 46.8 | 0 | 0 | 0 | 0 | 110 | Y230 I234 | Y230-T232 VanDerWaalsContact C-N 3.3Å; Y230-T232 PolarHBondContact O-N 3.06Å; T232-I234 PolarHBondContact O-N 3.44Å | ||
| 233 | P | 43.5 | Very low | 43.5 | Very low | 110 Ų | 110 | 109.3 Ų | 109.3 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | trans | -68.4 | 101.2 | 169.9 | 28 | -32.3 | 0 | 0 | 0 | 108.3 | I235 | P233-I235 PolarHBondContact O-N 2.89Š| ||
| 234 | I | 42.2 | Very low | 42.4 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | trans | -65.2 | 103.2 | 170.4 | -59.2 | 177.3 | 0 | 0 | 0 | 106.8 | T232 P236 | T232-I234 PolarHBondContact O-N 3.44Å; I234-P236 VanDerWaalsContact O-CD 3.26Å; I234-P236 WeakPolarHBondContact O-CD 3.4Å | ||
| 235 | I | 42.5 | Very low | 41.2 | Very low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 70% | 0.704 | S | S | * | * | trans | -72.8 | 114.9 | 173.7 | -59.6 | 174.3 | 0 | 0 | 0 | 107.1 | P233 Y237 | P233-I235 PolarHBondContact O-N 2.89Å; I235-Y237 VanDerWaalsContact C-N 3.27Å; I235-Y237 HydrophobicContact CG2-CD1 4.33Å; I235-Y237 WeakPolarHBondContact O-CD1 3.34Å; I235-Y237 PolarHBondContact O-N 3.11Å | ||
| 236 | P | 32.7 | Very low | 40.3 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | -81.9 | 74.1 | -178.6 | 34.4 | -33.9 | 0 | 0 | 0 | 110.3 | I234 | I234-P236 VanDerWaalsContact O-CD 3.26Å; I234-P236 WeakPolarHBondContact O-CD 3.4Å | ||
| 237 | Y | 41.7 | Very low | 39.5 | Very low | 201 Ų | 201 | 124.3 Ų | 124.3 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 147.2 | 158.3 | 59.8 | -93.8 | 0 | 0 | 0 | 109.7 | I235 | I235-Y237 VanDerWaalsContact C-N 3.27Å; I235-Y237 HydrophobicContact CG2-CD1 4.33Å; I235-Y237 WeakPolarHBondContact O-CD1 3.34Å; I235-Y237 PolarHBondContact O-N 3.11Å |
| 238 | L | 35.8 | Very low | 39 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 146.4 | -156.6 | -82.8 | 66.7 | 0 | 0 | 0 | 114.3 | ||
| 239 | T | 34.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 142.1 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 240 | S | 35.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -171.3 | 118.5 | 131.5 | -81.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 241 | S | 36.3 | Very low | 37.4 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 69.2 | 117.2 | 79.5 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 242 | T | 36.1 | Very low | 37.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | -160.9 | 173.2 | 52.5 | 40.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 243 | I | 35.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | -164.8 | 143.8 | 59.7 | -91.6 | -172.3 | 0 | 0 | 0 | 111.6 | |||||
| 244 | L | 36.6 | Very low | 35.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 28 | 112.1 | 158.6 | -79.4 | 56.5 | 0 | 0 | 0 | 121 | ||||
| 245 | S | 31.9 | Very low | 35.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | -139.9 | 124.4 | 112.1 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 246 | N | 35.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -129.2 | 135.3 | -175.7 | -167.3 | 89.8 | 0 | 0 | 0 | 110.2 | ||||
| 247 | P | 35.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -76.3 | 174.8 | -177.8 | 31.9 | -36.1 | 0 | 0 | 0 | 113.8 | ||||
| 248 | S | 32.6 | Very low | 33.7 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -93.2 | -169.7 | -174.6 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 249 | I | 38.6 | Very low | 33.4 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 84.4 | 128 | 169.2 | -53.1 | 173.5 | 0 | 0 | 0 | 114.5 | ||||
| 250 | D | 33.5 | Very low | 33.2 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | cis | -164.6 | 169.4 | -27.3 | -114.5 | -45.3 | 0 | 0 | 0 | 110.8 | ||||
| 251 | T | 37.6 | Very low | 33 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | 36.1 | 116 | 155.5 | 57.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 252 | N | 33.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 117 Ų | 117 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | -163.7 | 157.2 | 107.9 | -99.5 | -46.6 | 0 | 0 | 0 | 112.8 | A254 | N252-A254 PolarHBondContact O-N 3.26Š| |||
| 253 | S | 33.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 115.4 Ų | 115.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -1.6 | 109.3 | 169 | 54.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 254 | A | 28.9 | Very low | 32.3 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 59.2 | 94.4 | 69.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N252 | N252-A254 PolarHBondContact O-N 3.26Š| |||
| 255 | S | 29.4 | Very low | 32.3 | Very low | 118 Ų | 118 | 110.3 Ų | 110.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 171.4 | 166.2 | 141.2 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 256 | A | 28.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 110 Ų | 110 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 48.1 | 101.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 257 | A | 27.9 | Very low | 32.5 | Very low | 101 Ų | 101 | 110.9 Ų | 110.9 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | 81.8 | 149.3 | 54.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 258 | A | 30.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 69.4 | 148 | 171 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 259 | A | 28.9 | Very low | 32 | Very low | 92 Ų | 92 | 113 Ų | 113 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -167.6 | 163.9 | -20.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 260 | A | 29.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 110.3 Ų | 110.3 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | 61.1 | 137.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 261 | A | 32.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | cis | -137.3 | 147 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 262 | A | 29.6 | Very low | 31 | Very low | 98 Ų | 98 | 110 Ų | 110 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | 62.7 | 120.8 | 53 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 263 | A | 31 | Very low | 30.9 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | cis | -158.1 | 177.5 | 4.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 264 | A | 33.6 | Very low | 30.9 | Very low | 101 Ų | 101 | 110.3 Ų | 110.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 74.2 | 143.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 265 | A | 36 | Very low | 31.2 | Very low | 89 Ų | 89 | 111.3 Ų | 111.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -170.1 | 158.5 | -10.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 266 | T | 35.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -173.5 | 135 | -11.1 | -91.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 267 | M | 35.3 | Very low | 31.4 | Very low | 164 Ų | 164 | 110.5 Ų | 110.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 57.8 | 126.7 | 175.4 | -57.8 | -53.2 | -161.5 | 0 | 0 | 117.3 | ||||
| 268 | M | 30.8 | Very low | 32 | Very low | 167 Ų | 167 | 111.3 Ų | 111.3 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | cis | 81.9 | 123 | 43.6 | -168.5 | 167.9 | -176.4 | 0 | 0 | 114.2 | ||||
| 269 | A | 27 | Very low | 32 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | -92.1 | 140.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 270 | A | 30.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 112.6 Ų | 112.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -160.1 | 114.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 271 | A | 29.6 | Very low | 32.5 | Very low | 97 Ų | 97 | 116 Ų | 116 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 62.8 | 168 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 272 | V | 29.7 | Very low | 32.8 | Very low | 135 Ų | 135 | 117 Ų | 117 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -142.4 | 132.2 | 6.9 | -145.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 273 | A | 31.4 | Very low | 33.2 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 61% | 0.612 | 77% | 0.768 | S | S | * | * | trans | 48.9 | 174.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 274 | F | 33.3 | Very low | 33.3 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 142.9 | 167.7 | -68.5 | -82.4 | 0 | 0 | 0 | 117.4 | ||||
| 275 | T | 34.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | cis | -163.3 | 177.5 | -23 | 7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 276 | P | 35 | Very low | 33.4 | Very low | 119 Ų | 119 | 118.7 Ų | 118.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -95.1 | 136.1 | -163.8 | 35.4 | -35.4 | 0 | 0 | 0 | 117.6 | ||||
| 277 | G | 27.6 | Very low | 33.2 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 64.1 | -170.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 278 | P | 41.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | cis | -132 | -177.1 | -24.7 | 37.4 | -19.3 | 0 | 0 | 0 | 113.6 | ||||
| 279 | S | 30 | Very low | 33.2 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 44.9 | 118.1 | 147.7 | 62.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 280 | S | 35.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 166.3 | 126.4 | 139.3 | 41.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 281 | Q | 33.8 | Very low | 34 | Very low | 176 Ų | 176 | 120.7 Ų | 120.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | cis | 62.3 | 111.2 | 34.5 | -138.2 | -165.5 | 9.6 | 0 | 0 | 113.7 | ||||
| 282 | P | 38.9 | Very low | 34 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -136.5 | 169.5 | 97.3 | 38.2 | -25.5 | 0 | 0 | 0 | 112.2 | |||||
| 283 | T | 36.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | cis | -167.4 | 158.4 | -13.5 | 25.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 284 | T | 33 | Very low | 34.2 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | 54.4 | 138.5 | 148.7 | 52.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 285 | S | 36.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 116.8 Ų | 116.8 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 170.6 | -1.3 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 286 | S | 35.8 | Very low | 34.3 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | 53.9 | 140.9 | 141.3 | 60.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 287 | F | 30.6 | Very low | 34.2 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | cis | 176.6 | 177 | -13.8 | -106.1 | -55.2 | 0 | 0 | 0 | 104.9 | ||||
| 288 | I | 33.4 | Very low | 34.6 | Very low | 148 Ų | 148 | 119 Ų | 119 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 70.6 | 105.9 | 160.5 | -66.8 | 150.7 | 0 | 0 | 0 | 114.6 | ||||
| 289 | S | 33.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 72.8 | 151.4 | 90.5 | -52.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 290 | S | 34 | Very low | 34.5 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -165.5 | 171.4 | -9.6 | -104.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | P | 40.7 | Very low | 35 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | trans | -89.2 | 159.1 | -176.3 | 35.5 | -36.5 | 0 | 0 | 0 | 115.1 | ||||
| 292 | G | 28.9 | Very low | 35.6 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | 123.7 | 152.8 | 160 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 293 | G | 34.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 112.5 | 102.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 294 | S | 30 | Very low | 35.3 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | cis | 83.8 | 68.9 | 15 | -170.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 295 | T | 37.4 | Very low | 35.2 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -160.9 | 152.2 | 154 | 36.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 296 | T | 33.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | cis | -157.6 | 142.1 | -5.2 | -111.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 297 | F | 32.7 | Very low | 35 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 15 | 139 | 158 | -57.7 | -105.8 | 0 | 0 | 0 | 121.3 | ||||
| 298 | G | 35.9 | Very low | 35.4 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | cis | 164.8 | -172.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 299 | F | 34.3 | Very low | 35.4 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 88.9 | 165.4 | -63.7 | -81.1 | 0 | 0 | 0 | 121.4 | ||||
| 300 | F | 35.2 | Very low | 35.4 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | 11.6 | 157.9 | 109.1 | -76.3 | -94.8 | 0 | 0 | 0 | 120.3 | |||||
| 301 | P | 45.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | cis | -132.8 | 168.8 | 17 | 27 | -3.4 | 0 | 0 | 0 | 118 | ||||
| 302 | P | 45.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -100.5 | -176.7 | 175.5 | 41.8 | -37.4 | 0 | 0 | 0 | 113.3 | ||||
| 303 | N | 36.3 | Very low | 35.1 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -163.6 | 144.8 | 151.3 | -113.8 | -32.5 | 0 | 0 | 0 | 115.3 | ||||
| 304 | F | 34.6 | Very low | 34.8 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 45.6 | 123.2 | 169.3 | -64.5 | -79.1 | 0 | 0 | 0 | 120.1 | ||||
| 305 | Q | 30.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | cis | 82.2 | 92.3 | 14.1 | -162 | -176 | -25.8 | 0 | 0 | 118.5 | ||||
| 306 | S | 35.7 | Very low | 34.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -170.4 | 101.6 | 138.6 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | T | 31.9 | Very low | 34.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | 74.8 | 137.4 | 77.9 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 308 | P | 40.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -102 | -169 | -164.4 | 43.3 | -37.8 | 0 | 0 | 0 | 112.5 | ||||
| 309 | D | 33.4 | Very low | 34.3 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -139.7 | 155.3 | 152.9 | -136.4 | -30.9 | 0 | 0 | 0 | 113.1 | ||||
| 310 | I | 32.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -140 | 136 | -168.6 | -74.5 | 177.3 | 0 | 0 | 0 | 111.3 | ||||
| 311 | A | 30.9 | Very low | 34.5 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 65.7 | 149.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 312 | T | 33 | Very low | 34.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -173.1 | 117.2 | 130.1 | -78.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 313 | I | 33.6 | Very low | 33.6 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 22 | 106.9 | 135.7 | -48.6 | 170.4 | 0 | 0 | 0 | 115.1 | ||||
| 314 | A | 29.4 | Very low | 33.4 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | 81.7 | 152.5 | 61.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 315 | A | 28.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | 80.9 | 166.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 316 | L | 32.6 | Very low | 33.1 | Very low | 152 Ų | 152 | 117.1 Ų | 117.1 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 92.8 | 172.5 | -49.4 | -175.9 | 0 | 0 | 0 | 116.7 | ||||
| 317 | T | 29.5 | Very low | 33 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | 72.4 | 113.3 | 68.6 | 67.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 318 | S | 35.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | -175.5 | 131.1 | 129 | 49.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 319 | N | 31.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -84 | 158.1 | 156.3 | -150.3 | -6.9 | 0 | 0 | 0 | 107.2 | T321 | N319-T321 PolarHBondContact OD1-N 3.3Š| ||
| 320 | P | 43.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | -154.6 | 144.1 | 79 | 38.2 | -17.6 | 0 | 0 | 0 | 118.3 | |||||
| 321 | T | 31.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 118.2 Ų | 118.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 30.4 | 114.1 | 119.9 | -41.4 | 0 | 0 | 0 | 0 | 120.7 | N319 | N319-T321 PolarHBondContact OD1-N 3.3Š| |||
| 322 | A | 35.6 | Very low | 32.4 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -170.3 | 161.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 323 | T | 34.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -170.7 | 125.2 | -37.5 | -82.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 324 | G | 32.7 | Very low | 32.7 | Very low | 82 Ų | 82 | 120 Ų | 120 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 155 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 325 | G | 32.4 | Very low | 33 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | cis | -160.8 | 149.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 326 | S | 27.1 | Very low | 33.5 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -102.8 | 112.6 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 327 | I | 33.6 | Very low | 33.7 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -138.6 | 105.2 | 177.3 | -64.5 | -173.2 | 0 | 0 | 0 | 110.8 | ||||
| 328 | I | 32.6 | Very low | 34 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 46.3 | 133.6 | 137.7 | -29.4 | 174.3 | 0 | 0 | 0 | 120.8 | ||||
| 329 | L | 26.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -43.3 | 179.2 | 147.5 | -94.4 | 71.9 | 0 | 0 | 0 | 114.9 | ||||
| 330 | P | 35.1 | Very low | 34.3 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | cis | -137.4 | -176.7 | -24.2 | 37.3 | -19.5 | 0 | 0 | 0 | 114.3 | ||||
| 331 | S | 26.6 | Very low | 33.8 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 69.4 | 179.1 | 146.4 | -65.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 332 | I | 34.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | 76.3 | 94.2 | -176.8 | -49.2 | 171.4 | 0 | 0 | 0 | 111.8 | ||||
| 333 | L | 35 | Very low | 33.7 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | 66.5 | 146.9 | 85.3 | -92.2 | 78.5 | 0 | 0 | 0 | 114.1 | |||||
| 334 | P | 39.4 | Very low | 33.7 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | cis | -136 | 171.5 | 29.5 | 43 | -27.2 | 0 | 0 | 0 | 117.8 | ||||
| 335 | N | 34.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 54.8 | 137 | 145.9 | -66.1 | -11.8 | 0 | 0 | 0 | 120.5 | ||||
| 336 | T | 38.8 | Very low | 34 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -162.5 | 149.6 | 3 | 10.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 337 | G | 36.4 | Very low | 34.4 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 151.1 | 40.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 338 | N | 36.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 124 Ų | 124 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 28.9 | 103.5 | 148.7 | -46.1 | 15.1 | 0 | 0 | 0 | 118.3 | ||||
| 339 | D | 36.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 122 Ų | 122 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | 83.4 | 150.1 | 100.5 | -66.3 | -44.9 | 0 | 0 | 0 | 116.2 | |||||
| 340 | R | 35.2 | Very low | 35.2 | Very low | 209 Ų | 209 | 119.1 Ų | 119.1 | 79% | 0.789 | 69% | 0.694 | S | S | * | * | cis | -160.2 | 131.4 | -25.3 | -103.8 | 171 | -156.7 | -155.9 | 0.6 | 106.5 | ||||
| 341 | T | 33.6 | Very low | 35.1 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | 58.2 | 124.6 | 97.6 | -27.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 342 | I | 34 | Very low | 35.3 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | -178.8 | 133.9 | 88.8 | -88.8 | 173.6 | 0 | 0 | 0 | 111.6 | |||||
| 343 | C | 31.7 | Very low | 35.2 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | 38.1 | 162.5 | 140.1 | -53.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 344 | S | 33.7 | Very low | 34.9 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | cis | 179.7 | -174.8 | -16.8 | 62.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 345 | N | 33.1 | Very low | 34.5 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | cis | -166.1 | 166.3 | -0.3 | -123.5 | 1.4 | 0 | 0 | 0 | 110.6 | ||||
| 346 | L | 38.1 | Very low | 34.2 | Very low | 142 Ų | 142 | 119 Ų | 119 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | 22.7 | 156.1 | 152.4 | -74.3 | 85.4 | 0 | 0 | 0 | 123.5 | ||||
| 347 | S | 35.9 | Very low | 34 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | cis | -176.1 | 144.6 | -17.5 | -91.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 348 | G | 37.5 | Very low | 33.8 | Very low | 47 Ų | 47 | 120.5 Ų | 120.5 | 49% | 0.485 | 70% | 0.703 | S | S | . | * | trans | 68.2 | 175.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | S558 | G348-S558 VanDerWaalsContact C-CB 3.5Š| ||
| 349 | D | 36.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | cis | -177.8 | 167.1 | -27.7 | -130.5 | -41.9 | 0 | 0 | 0 | 113.8 | S558 | D349-S558 VanDerWaalsContact O-CA 3.24Å; D349-S558 WeakPolarHBondContact O-CA 3.43Å; D349-S558 PolarHBondContact O-N 3.48Å | ||
| 350 | L | 35.6 | Very low | 33.7 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 48% | 0.482 | 71% | 0.714 | S | S | . | * | trans | 65.6 | 110.3 | 152.9 | -105.5 | 63.7 | 0 | 0 | 0 | 125.1 | F560 | L350-F560 WeakPolarHBondContact CD2-O 3.21Š| ||
| 351 | F | 32.2 | Very low | 33.9 | Very low | 182 Ų | 182 | 113.2 Ų | 113.2 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | 90.9 | 124.1 | 113.5 | -104 | -126.9 | 0 | 0 | 0 | 126.9 | |||||
| 352 | S | 32 | Very low | 34.2 | Very low | 72 Ų | 72 | 112.5 Ų | 112.5 | 50% | 0.503 | 72% | 0.715 | S | S | . | * | 98.3 | 127.6 | 124.7 | -103.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 353 | Q | 30.9 | Very low | 34.6 | Very low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | 67.3 | 157.5 | 142.8 | -66.1 | 169.2 | 62.2 | 0 | 0 | 119.4 | ||||
| 354 | T | 29 | Very low | 34.8 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | cis | -174.4 | 164.4 | -28.3 | -84.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 355 | V | 30.9 | Very low | 34.9 | Very low | 142 Ų | 142 | 115.9 Ų | 115.9 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | 75.7 | 140 | -179.6 | -163.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 356 | G | 29.6 | Very low | 34.7 | Very low | 64 Ų | 64 | 116.4 Ų | 116.4 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | cis | 147.4 | 73.9 | -11 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 357 | V | 35 | Very low | 34.5 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 95% | 0.945 | 72% | 0.723 | S | S | * | * | trans | -164.9 | 158 | 168 | -94.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 358 | G | 31.8 | Very low | 34.3 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | cis | 164 | 146.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 359 | G | 34.4 | Very low | 34.2 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 103.1 | 122.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 360 | S | 37.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | 76.6 | 126.3 | 73.8 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 361 | S | 38.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | cis | -152.2 | 162.3 | 14 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 362 | S | 39.9 | Very low | 34 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -65.2 | -172.3 | 168.1 | -17.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 363 | P | 43 | Very low | 34 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | -130.9 | -176.8 | 12.1 | 20.6 | 7.3 | 0 | 0 | 0 | 114.3 | ||||
| 364 | W | 35.6 | Very low | 33.9 | Very low | 244 Ų | 244 | 126 Ų | 126 | 92% | 0.924 | 78% | 0.78 | S | S | * | * | cis | -148.9 | -168.6 | -7.9 | -121.4 | -45 | 0 | 0 | 0 | 112.8 | ||||
| 365 | S | 35.5 | Very low | 33.8 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 160.3 | -178.1 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 366 | N | 29.7 | Very low | 33.7 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | 71 | 123.9 | 42.6 | -131.3 | -10 | 0 | 0 | 0 | 114.9 | ||||
| 367 | I | 33.2 | Very low | 34 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -169.7 | 154.2 | 152.7 | -106.7 | 160.9 | 0 | 0 | 0 | 110.2 | ||||
| 368 | S | 32.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -144.2 | 147.2 | -160.9 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 369 | G | 34.3 | Very low | 34 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 161.7 | 119.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 370 | R | 31.6 | Very low | 34.2 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | 78.7 | 143 | 68.1 | -95.7 | -163.7 | 173.3 | -147.4 | -1.4 | 114.1 | |||||
| 371 | T | 39.9 | Very low | 33.9 | Very low | 150 Ų | 150 | 136 Ų | 136 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | trans | 68.1 | 150.5 | -168.1 | 74 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 372 | G | 30.2 | Very low | 33.7 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | cis | 155.3 | 143.6 | -11 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 373 | F | 32.3 | Very low | 33.4 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 70.4 | 117.7 | 172.9 | -85.1 | -96.2 | 0 | 0 | 0 | 120.1 | ||||
| 374 | D | 28.3 | Very low | 32.9 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | 49.2 | 116.4 | 126.7 | -67.9 | -8.7 | 0 | 0 | 0 | 124.6 | |||||
| 375 | V | 26.7 | Very low | 33 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | 72.6 | 167.4 | 128.6 | -172.2 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 376 | I | 29.7 | Very low | 32.9 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 79.1 | 100.3 | 174.3 | -45.8 | -176.9 | 0 | 0 | 0 | 115.2 | P378 | I376-P378 HydrophobicContact CG2-CG 4.3Š| ||
| 377 | V | 35.2 | Very low | 33.3 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 134.1 | 152.5 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 378 | P | 36.7 | Very low | 33.4 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | trans | -132.6 | 135.7 | 134.6 | 17 | 3.3 | 0 | 0 | 0 | 112.3 | I376 | I376-P378 HydrophobicContact CG2-CG 4.3Š| ||
| 379 | D | 30.2 | Very low | 33.6 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 141.7 | 158.1 | -175.6 | 7.3 | 0 | 0 | 0 | 109 | ||||
| 380 | L | 38.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -148.7 | 87.2 | -178 | -110.6 | 164.4 | 0 | 0 | 0 | 112 | ||||
| 381 | N | 31.9 | Very low | 33.8 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -61.9 | 157.6 | 167.6 | 178.7 | 23.2 | 0 | 0 | 0 | 113 | ||||
| 382 | A | 32.6 | Very low | 33.7 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | 115.9 | 153.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 383 | A | 35.2 | Very low | 33.9 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | 94.6 | 84.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 384 | S | 31.6 | Very low | 34.2 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 78.7 | 114.9 | 115.2 | -56.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 385 | A | 36.9 | Very low | 34.5 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 154.1 | 96.2 | 131.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 386 | L | 33.7 | Very low | 35 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | 64.2 | 109.2 | 83.5 | -70.4 | 175.3 | 0 | 0 | 0 | 116.6 | |||||
| 387 | T | 38.7 | Very low | 35.4 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -170.2 | 89.5 | 130.2 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 388 | T | 35.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 22 | 153.1 | 132.1 | -17.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 389 | V | 36.3 | Very low | 35.2 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 83.5 | 133.5 | 158.4 | 180 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 390 | S | 36.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | -166.2 | 139 | -15.2 | 169.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 391 | V | 34.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 127 Ų | 127 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 21.3 | 129 | 145.4 | -169.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 392 | A | 36.7 | Very low | 35.1 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 153.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 393 | Q | 35.7 | Very low | 35.4 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -134.6 | 150.7 | -172.8 | -65.3 | 175.9 | -97.6 | 0 | 0 | 114 | ||||
| 394 | Q | 37.2 | Very low | 35.2 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 170.3 | 128.9 | 139.2 | -92.2 | 153.6 | 29 | 0 | 0 | 108.2 | ||||
| 395 | S | 34.9 | Very low | 35.6 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | 91 | 116.7 | 17.9 | -163.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 396 | L | 37.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 172.7 | 101 | 155.7 | -91.6 | 165.6 | 0 | 0 | 0 | 107.2 | ||||
| 397 | T | 37.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | 59.3 | 137.7 | 93 | 63.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 398 | G | 34.3 | Very low | 35 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -175.9 | -174.2 | 5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 399 | S | 34.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -114.5 | 168.8 | -161.9 | -1.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 400 | F | 32.8 | Very low | 34.9 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -174.5 | 123 | 140.8 | -118 | -133.3 | 0 | 0 | 0 | 118.5 | ||||
| 401 | I | 34.6 | Very low | 35 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 64% | 0.641 | 78% | 0.782 | S | S | * | * | 49.7 | 120.4 | 129.9 | -55 | -169.3 | 0 | 0 | 0 | 124.2 | |||||
| 402 | S | 30.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 31.8 | 163.7 | 117.5 | -121.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 403 | P | 39.4 | Very low | 35 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -146.1 | -163.9 | 17.6 | 45 | -23 | 0 | 0 | 0 | 118.3 | ||||
| 404 | K | 31.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -69 | 162 | 171.4 | -101.5 | -174.1 | 177.5 | -177.7 | 0 | 115.3 | ||||
| 405 | P | 40.2 | Very low | 34.9 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -117.8 | 177.2 | 141.6 | 37.4 | -28.7 | 0 | 0 | 0 | 113.8 | ||||
| 406 | Q | 30.3 | Very low | 35.1 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -142.9 | 160.3 | -169.5 | -130.1 | 175.7 | -88.4 | 0 | 0 | 112.9 | ||||
| 407 | D | 29.9 | Very low | 35.4 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 50 | 121.6 | 152.7 | -55.1 | -27.6 | 0 | 0 | 0 | 124 | ||||
| 408 | S | 36.7 | Very low | 35.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 174.6 | 109.7 | 128.3 | 32.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 409 | Q | 33 | Very low | 35.7 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | 89.3 | 145.1 | 73.6 | -83.9 | -158.1 | 15.2 | 0 | 0 | 115.5 | |||||
| 410 | S | 35.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 136 | 177.9 | -164.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 411 | S | 38.1 | Very low | 35.8 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -161.7 | 163.3 | -26.3 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 412 | R | 35.4 | Very low | 36.3 | Very low | 235 Ų | 235 | 138.3 Ų | 138.3 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | 1 | 143.4 | 164.4 | -42.5 | 176.1 | 175.3 | -178.5 | -2.9 | 118.6 | ||||
| 413 | S | 36 | Very low | 36.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | -167.8 | 150.5 | 39.5 | -44.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 414 | A | 34 | Very low | 36.1 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 72.4 | 141.7 | 134.5 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 415 | L | 35.8 | Very low | 36.3 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 73.3 | 108.4 | 161.6 | -90.6 | 70.3 | 0 | 0 | 0 | 121.3 | ||||
| 416 | S | 39.6 | Very low | 36 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -96.8 | 171.3 | 158.9 | -33.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 417 | P | 45 | Very low | 36.4 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -134.4 | 171.7 | 111.3 | 12.9 | 9.2 | 0 | 0 | 0 | 114.3 | |||||
| 418 | P | 41.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -114.3 | -177.5 | -157.1 | 43.1 | -35.7 | 0 | 0 | 0 | 117.3 | ||||
| 419 | V | 35.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -48.4 | 150.3 | 172 | 179.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 420 | Y | 34.3 | Very low | 37.4 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 118.5 | 160.4 | -144.9 | -101.9 | 0 | 0 | 0 | 113.7 | P422 | Y420-P422 HydrophobicContact CD1-CG 4.22Å; Y420-P422 HydrophobicContact CE1-CB 4.03Å; Y420-P422 HydrophobicContact CE1-CG 4.05Å | ||
| 421 | F | 35.4 | Very low | 37.4 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | trans | -103.2 | 148.9 | 153.6 | -92.6 | -90.2 | 0 | 0 | 0 | 107.4 | ||||
| 422 | P | 44.2 | Very low | 37.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | trans | -133.5 | 143.8 | 146.9 | 35.9 | -23.8 | 0 | 0 | 0 | 113.4 | Y420 | Y420-P422 HydrophobicContact CD1-CG 4.22Å; Y420-P422 HydrophobicContact CE1-CB 4.03Å; Y420-P422 HydrophobicContact CE1-CG 4.05Å | ||
| 423 | S | 31.9 | Very low | 37.4 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -115.8 | 146.8 | 165.7 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 424 | S | 33.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 63.8 | 119.9 | 157.3 | -53.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 425 | S | 35.7 | Very low | 38 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 146.9 | 153.6 | 111.5 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 426 | L | 34.7 | Very low | 38 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 70.3 | 105.1 | 157.7 | -65.3 | 155.8 | 0 | 0 | 0 | 120.9 | ||||
| 427 | I | 37.9 | Very low | 38.1 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 50 | 137 | 111.7 | -66.8 | -179.3 | 0 | 0 | 0 | 118.4 | |||||
| 428 | P | 39.4 | Very low | 37.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -134.1 | -176.6 | 29.3 | 27.3 | -2.8 | 0 | 0 | 0 | 116.9 | ||||
| 429 | A | 38.2 | Very low | 37.3 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 154.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 430 | P | 44.1 | Very low | 37.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 139.2 | 166.3 | 33.8 | -32.1 | 0 | 0 | 0 | 111.8 | ||
| 431 | L | 35.5 | Very low | 37.3 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 144.5 | -179.1 | -74.6 | 168.4 | 0 | 0 | 0 | 113.2 | ||
| 432 | R | 31.4 | Very low | 37.8 | Very low | 243 Ų | 243 | 135.9 Ų | 135.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75 | 121.3 | 169.2 | 174 | -174.4 | 178.7 | -179.5 | 1 | 110 | ||
| 433 | M | 41.2 | Very low | 37.4 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -132.5 | 136.7 | 165.4 | -69.6 | -165.8 | 75.7 | 0 | 0 | 111.3 | ||||
| 434 | S | 33.9 | Very low | 37.6 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -121.8 | 146.1 | 171.5 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 435 | P | 49.6 | Very low | 37.6 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -100.6 | 126.6 | 157.7 | 3.2 | 17.3 | 0 | 0 | 0 | 110.5 | ||||
| 436 | T | 36 | Very low | 37.6 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 112.9 | 168.4 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 437 | A | 40.8 | Very low | 37.8 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -153.9 | 104.7 | 167 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 438 | L | 34.7 | Very low | 37.8 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 75.3 | 122.4 | 56.6 | -131.4 | 82.5 | 0 | 0 | 0 | 113.7 | |||||
| 439 | F | 35.1 | Very low | 38.3 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | 69.4 | 140.6 | 173.3 | -75.2 | -98.6 | 0 | 0 | 0 | 120 | ||||
| 440 | G | 35.9 | Very low | 38.7 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 140.6 | 49.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 441 | Y | 34.8 | Very low | 38.1 | Very low | 228 Ų | 228 | 140.5 Ų | 140.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -84.3 | 171.2 | 162.9 | -87.1 | -68.5 | 0 | 0 | 0 | 111.1 | ||||
| 442 | P | 44.5 | Very low | 38.3 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | cis | -140.1 | -171.6 | -19.9 | 28.8 | -4.8 | 0 | 0 | 0 | 115.5 | ||||
| 443 | T | 36.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | 85.9 | 141.4 | 142.3 | 13.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 444 | I | 35.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | 66.9 | 132.3 | 159.9 | -55.5 | 164.7 | 0 | 0 | 0 | 116.5 | ||||
| 445 | G | 35.1 | Very low | 37.7 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | cis | 167 | 175.2 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 446 | Y | 34.6 | Very low | 37 | Very low | 241 Ų | 241 | 136.6 Ų | 136.6 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | trans | 44.9 | 117.9 | 163.9 | -67.3 | -84.2 | 0 | 0 | 0 | 121.1 | ||||
| 447 | G | 38.6 | Very low | 36.9 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | 179.7 | 102.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 448 | N | 37.7 | Very low | 36.4 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -155.3 | 159.9 | -174.4 | -148.3 | -4.2 | 0 | 0 | 0 | 109.4 | ||||
| 449 | P | 51.3 | Low | 36.3 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | -96.4 | -148 | -75.6 | 36.4 | -25.6 | 0 | 0 | 0 | 110.8 | |||||
| 450 | P | 45.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | -139.1 | 153.1 | 112 | 37.9 | -27.8 | 0 | 0 | 0 | 115.3 | |||||
| 451 | T | 32.6 | Very low | 36.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -110 | 137.3 | 167.3 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 452 | V | 39 | Very low | 36.4 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | -136.2 | 130.3 | 168 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 453 | Q | 28.3 | Very low | 36.1 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -103.6 | 149.7 | 170.4 | -61.3 | 179 | -37.6 | 0 | 0 | 109.6 | ||||
| 454 | H | 35.6 | Very low | 36.3 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -174.5 | 121.1 | 145.6 | -87.3 | -57.6 | 0 | 0 | 0 | 106.1 | ||||
| 455 | S | 30.1 | Very low | 36.8 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | cis | 96 | 134.6 | 33.4 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 456 | H | 34 | Very low | 36.8 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 86.7 | 132.4 | 164.3 | -87.3 | -94.7 | 0 | 0 | 0 | 122.3 | ||||
| 457 | L | 34.3 | Very low | 37 | Very low | 144 Ų | 144 | 134 Ų | 134 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 127.5 | 152.7 | -57.1 | 162 | 0 | 0 | 0 | 117.7 | ||||
| 458 | T | 30.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | 82 | 102.2 | 34.7 | -51.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 459 | S | 33.4 | Very low | 36.7 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 169.1 | 123.1 | 125.1 | -170.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 460 | T | 35.6 | Very low | 35.7 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 23.1 | 154.6 | 144.4 | 71 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 461 | R | 37.3 | Very low | 35.1 | Very low | 248 Ų | 248 | 138.3 Ų | 138.3 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 136.4 | 164.9 | -57.7 | 175.5 | 174.2 | 171.1 | -2.3 | 117 | ||||
| 462 | G | 35 | Very low | 35 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 168.7 | 171.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 463 | I | 38.9 | Very low | 34.7 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | 81.8 | 108.6 | 171.6 | -52 | 160.4 | 0 | 0 | 0 | 114 | ||||
| 464 | Q | 40.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | 78.1 | 146.9 | 50 | -72.1 | -81.5 | 49.1 | 0 | 0 | 115.4 | |||||
| 465 | P | 44.2 | Very low | 34.6 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | cis | -122.4 | -177.9 | -17.4 | 34.6 | -14 | 0 | 0 | 0 | 112.3 | ||||
| 466 | I | 36.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 131 Ų | 131 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | -166.4 | 147.7 | 79.9 | -78.5 | 164.6 | 0 | 0 | 0 | 109.1 | |||||
| 467 | P | 37.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | trans | -126 | -161.7 | -160.7 | 42.8 | -26.2 | 0 | 0 | 0 | 116.4 | ||||
| 468 | L | 35.6 | Very low | 34.1 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | 93.5 | 143.9 | 175 | -55 | 166.6 | 0 | 0 | 0 | 115.4 | ||||
| 469 | A | 34.8 | Very low | 34.1 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 63% | 0.628 | 74% | 0.743 | S | S | * | * | cis | -168.1 | 126.6 | -19.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 470 | E | 31.4 | Very low | 34 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | 60.1 | 101.6 | 104.1 | -73.6 | -177.9 | 163.1 | 0 | 0 | 115.5 | |||||
| 471 | T | 31.2 | Very low | 34 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | 93.7 | 114.5 | 76.8 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 472 | S | 31.1 | Very low | 33.8 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 40.2 | 136.8 | 143 | 60.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 473 | S | 32.7 | Very low | 33.9 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | 120.8 | 127.1 | 132.1 | 76.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 474 | S | 31 | Very low | 33.8 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | 46 | 112.9 | 145.1 | 53.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 475 | S | 30.4 | Very low | 33.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 88.8 | 164 | 117.8 | 79.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 476 | I | 31.5 | Very low | 32.9 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 78.5 | 122.2 | 163.6 | -64.1 | 166.1 | 0 | 0 | 0 | 117.1 | ||||
| 477 | C | 28.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | 24.1 | 157.8 | 142.6 | -58.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 478 | S | 29.5 | Very low | 32.6 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | -177.3 | 164.6 | -14.8 | -90.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 479 | N | 30.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | 67.9 | 130 | 173.9 | -53.9 | -22 | 0 | 0 | 0 | 114.1 | ||||
| 480 | S | 31.1 | Very low | 33 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | cis | 75.3 | 101.9 | 49.8 | -170 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 481 | S | 36 | Very low | 33.4 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | 172.7 | 158.6 | 108.1 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 482 | N | 32.9 | Very low | 33.8 | Very low | 144 Ų | 144 | 120 Ų | 120 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 61 | 99.6 | 153.7 | -58.3 | -33.8 | 0 | 0 | 0 | 122 | ||||
| 483 | L | 36.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 18.1 | 140.7 | 112.5 | -88.7 | 163.3 | 0 | 0 | 0 | 119 | |||||
| 484 | P | 37.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -137.1 | 164.3 | 80.2 | 39.6 | -28 | 0 | 0 | 0 | 117 | |||||
| 485 | S | 31.2 | Very low | 34.7 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -93.9 | 151.8 | 178.3 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 486 | L | 33.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -157.2 | 131 | 149.1 | -98.5 | 126.2 | 0 | 0 | 0 | 113.1 | ||||
| 487 | F | 31.9 | Very low | 35.2 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | trans | 30.3 | 140.3 | 134.1 | -68.7 | -107.6 | 0 | 0 | 0 | 119.9 | ||||
| 488 | T | 36.2 | Very low | 35.6 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | cis | -171.2 | 179 | 4 | 8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 489 | S | 33.1 | Very low | 35.9 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | -165.8 | 156.2 | -3.6 | 38.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 490 | P | 45.6 | Very low | 36.1 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -106 | 164.1 | -179 | 40 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 491 | T | 40.7 | Very low | 36 | Very low | 151 Ų | 151 | 126 Ų | 126 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -154.3 | 138 | 169.3 | 33.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 492 | G | 38.5 | Very low | 35.9 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 101.4 | 125.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 493 | L | 38.7 | Very low | 35.9 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | cis | -130.5 | 158.9 | -1.9 | -90.6 | 85.1 | 0 | 0 | 0 | 112.3 | ||||
| 494 | T | 36.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -58.8 | 153.3 | 163.5 | 35.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 495 | A | 39.3 | Very low | 35.4 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -163.2 | -157 | -7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 496 | N | 38.2 | Very low | 35.6 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | cis | -165.2 | 166.3 | 12.4 | -147.5 | 6 | 0 | 0 | 0 | 113.8 | ||||
| 497 | I | 33.9 | Very low | 35.6 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | trans | 36.8 | 112.5 | 157.4 | -64.6 | 161.4 | 0 | 0 | 0 | 120.4 | ||||
| 498 | A | 35.4 | Very low | 35.8 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | 46 | 148.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 499 | T | 37.5 | Very low | 35.7 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | -159.3 | 173.9 | 32.6 | -38.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 500 | L | 33.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 82 | 133.4 | 168.4 | -70.8 | 157 | 0 | 0 | 0 | 117.4 | ||||
| 501 | A | 28.2 | Very low | 35.3 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -143.7 | -169.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 502 | A | 34.4 | Very low | 35.1 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 76.3 | 139.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 503 | L | 33.8 | Very low | 35.2 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | cis | -129.1 | 152.5 | 16.9 | -155.5 | 71.5 | 0 | 0 | 0 | 112.2 | ||||
| 504 | S | 29.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -150.3 | 131.8 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 505 | A | 34 | Very low | 34.9 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | 162 | 150.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 506 | A | 34.5 | Very low | 34.6 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -161 | -170.7 | -16.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 507 | I | 35.2 | Very low | 34.3 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | cis | -138.2 | 179.6 | 11.5 | -55 | 166.2 | 0 | 0 | 0 | 108 | ||||
| 508 | T | 34.8 | Very low | 34 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -120.8 | 152.9 | -166.1 | 49.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 509 | V | 34.9 | Very low | 33.7 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 144.1 | 150.8 | 166.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 510 | S | 34.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | cis | -148.1 | -164.6 | -2.4 | -134.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 511 | G | 36.1 | Very low | 33.2 | Very low | 58 Ų | 58 | 121.2 Ų | 121.2 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | cis | 171.5 | 137.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 512 | V | 35.2 | Very low | 33 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | 73.5 | 123.9 | 74.9 | 174.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 513 | P | 41.9 | Very low | 32.8 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -143.5 | -164.4 | -26 | 39.1 | -17.3 | 0 | 0 | 0 | 115.3 | ||||
| 514 | T | 35.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 120 | 94.8 | 144.2 | -35.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 515 | V | 32.2 | Very low | 32.5 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | 22.8 | 125.2 | 137.3 | -158 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 516 | T | 34 | Very low | 32.1 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 174.5 | 121.9 | 110.4 | -65.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 517 | N | 30.5 | Very low | 31.9 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 22.2 | 140 | 154.1 | -63.4 | -19.8 | 0 | 0 | 0 | 126 | ||||
| 518 | T | 29.2 | Very low | 31.6 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 83.5 | 131.8 | 136.8 | 38.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 519 | I | 28.2 | Very low | 31.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 77.3 | 111.1 | 143.9 | -66.4 | 164.9 | 0 | 0 | 0 | 118.8 | ||||
| 520 | T | 27.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 40.5 | 106.5 | 142.4 | -47.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 521 | T | 32.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | -165.8 | 155.3 | 139.3 | 7.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 522 | N | 25 | Very low | 31.4 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -76.7 | 128.1 | 168.5 | -62.9 | -31 | 0 | 0 | 0 | 109.1 | ||||
| 523 | V | 29.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | trans | -139.2 | 109.8 | 170.6 | -158.2 | 0 | 0 | 0 | 0 | 111.6 | I525 | V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 3.51Å | ||
| 524 | T | 25.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -84.3 | 123.2 | 157.4 | -57.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 525 | I | 32 | Very low | 30.6 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -113.9 | 123.7 | 171.1 | -55.8 | -173.6 | 0 | 0 | 0 | 109.5 | V523 | V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 3.51Å | ||
| 526 | N | 24.7 | Very low | 30.7 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -109.2 | 128.8 | 173.1 | -174.1 | 6.3 | 0 | 0 | 0 | 107.9 | ||||
| 527 | C | 31.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -127.8 | 105.3 | -176 | -82.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 528 | T | 29.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -108.3 | 136.8 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 529 | K | 30.8 | Very low | 32.1 | Very low | 204 Ų | 204 | 131.2 Ų | 131.2 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | 168.7 | 142.7 | 157.5 | -97.7 | 159.4 | -179.3 | -179.8 | 0 | 108.3 | ||||
| 530 | S | 33.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | 164 | 115.6 | -27.5 | 46.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 531 | L | 33.2 | Very low | 33 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | 31 | 139.3 | 146.2 | -70.9 | 161.2 | 0 | 0 | 0 | 121 | ||||
| 532 | P | 37.8 | Very low | 33.5 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | -132.7 | 154.6 | 71.3 | 9.1 | 16.2 | 0 | 0 | 0 | 115.4 | |||||
| 533 | I | 30.1 | Very low | 34 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | 68.2 | 128.7 | 75.1 | -52 | 164.1 | 0 | 0 | 0 | 112 | |||||
| 534 | L | 32.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | cis | -157.7 | 164.4 | 28 | -162.4 | 59 | 0 | 0 | 0 | 115.3 | ||||
| 535 | S | 34.8 | Very low | 35 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 55.3 | 108 | 148.7 | 53.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 536 | N | 32.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | 15.4 | 158.4 | 107.9 | -113.4 | -0.5 | 0 | 0 | 0 | 121 | |||||
| 537 | P | 45.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -144 | 151.4 | 37.5 | 38.5 | -17.6 | 0 | 0 | 0 | 120.9 | ||||
| 538 | N | 34.6 | Very low | 35.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | 26.2 | 171.9 | 117.8 | -79.2 | 0.3 | 0 | 0 | 0 | 122.2 | |||||
| 539 | P | 44.7 | Very low | 35.9 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -144.2 | -171.8 | 8.9 | 21.6 | 7.6 | 0 | 0 | 0 | 118.6 | ||||
| 540 | L | 37.6 | Very low | 35.8 | Very low | 166 Ų | 166 | 120 Ų | 120 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | 89.9 | 138.3 | 143.7 | -84.3 | 153.7 | 0 | 0 | 0 | 122.7 | ||||
| 541 | G | 36.7 | Very low | 35.7 | Very low | 62 Ų | 62 | 122.2 Ų | 122.2 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 133.8 | 53.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 542 | T | 41.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | 48.2 | 123.9 | 104.8 | 62.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 543 | G | 36.3 | Very low | 35.4 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 160.1 | -173.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 544 | S | 39 | Very low | 35.3 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 72.2 | 147.3 | 168.2 | 81.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 545 | T | 37.6 | Very low | 35.2 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | cis | -162.7 | 142.1 | -9.9 | 7.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 546 | G | 34.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 71.7 | 163.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 547 | A | 35.8 | Very low | 34.9 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | cis | -167.8 | 158.1 | -10.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 548 | L | 32.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | cis | -163.7 | 157.3 | -7.2 | -122 | 177.5 | 0 | 0 | 0 | 107.8 | ||||
| 549 | F | 33.3 | Very low | 34 | Very low | 171 Ų | 171 | 115.5 Ų | 115.5 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | trans | 57.7 | 116.1 | 177.8 | -70.7 | -92.3 | 0 | 0 | 0 | 116.5 | ||||
| 550 | N | 28.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | 93.9 | 122.9 | 50.3 | -81.3 | -36.4 | 0 | 0 | 0 | 114.1 | |||||
| 551 | L | 29.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 116.4 Ų | 116.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | 50.4 | 99.4 | 136.7 | -62.1 | 164.4 | 0 | 0 | 0 | 118.3 | ||||
| 552 | L | 32.1 | Very low | 32.6 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 95% | 0.948 | 71% | 0.712 | S | S | * | * | trans | -138.6 | 99.7 | 148.2 | -144.1 | 77 | 0 | 0 | 0 | 110.6 | ||||
| 553 | P | 32.4 | Very low | 32 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | trans | -104.5 | 158.2 | 179.4 | 37.9 | -32.2 | 0 | 0 | 0 | 113.8 | ||||
| 554 | C | 28.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | 56.9 | 113.7 | 150.4 | -63.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 555 | S | 31.1 | Very low | 31.4 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | 66.3 | 138.2 | 125.4 | -47.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 556 | Q | 31.8 | Very low | 31.1 | Very low | 171 Ų | 171 | 122.4 Ų | 122.4 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | -178.2 | 146.8 | 123.3 | -84.5 | -110.3 | -34.8 | 0 | 0 | 113.1 | |||||
| 557 | L | 29.3 | Very low | 31 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 59% | 0.586 | 71% | 0.709 | S | S | * | * | trans | -1.3 | 135.5 | 156.4 | -69.1 | 94.6 | 0 | 0 | 0 | 119.6 | ||||
| 558 | S | 30.3 | Very low | 30.6 | Very low | 39 Ų | 39 | 128.4 Ų | 128.4 | 27% | 0.273 | 71% | 0.71 | S | S | . | * | 78.5 | 134.2 | 62.1 | 97.9 | 0 | 0 | 0 | 0 | 114 | G348 D349 | G348-S558 VanDerWaalsContact C-CB 3.5Å; D349-S558 VanDerWaalsContact O-CA 3.24Å; D349-S558 WeakPolarHBondContact O-CA 3.43Å; D349-S558 PolarHBondContact O-N 3.48Å | |||
| 559 | S | 31.1 | Very low | 30.2 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 40% | 0.399 | 71% | 0.706 | S | S | . | * | 165.9 | -175.4 | 59.3 | 39.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 560 | F | 29.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 74.3 | 151.9 | 166.7 | -56 | -70.5 | 0 | 0 | 0 | 118.6 | L350 | L350-F560 WeakPolarHBondContact CD2-O 3.21Š| ||
| 561 | N | 30.2 | Very low | 29.9 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | cis | -151.8 | 127.6 | -7.4 | -124.9 | -5.7 | 0 | 0 | 0 | 107 | ||||
| 562 | V | 28.7 | Very low | 30 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | 54.3 | 112.6 | 75 | -172.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 563 | T | 29.5 | Very low | 29.9 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 87% | 0.871 | 70% | 0.697 | S | S | * | * | -168 | 142.4 | 122.9 | 14 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 564 | P | 31.6 | Very low | 30 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -114.6 | 173.4 | -179.8 | 41.9 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 565 | I | 31.9 | Very low | 30.1 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 83% | 0.831 | 70% | 0.704 | S | S | * | * | trans | -144.6 | 120.6 | 155.4 | -91.2 | 122 | 0 | 0 | 0 | 111.9 | ||||
| 566 | V | 31.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | 28.7 | 119.8 | 145.8 | -169.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 567 | P | 31 | Very low | 29.9 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | trans | -86.1 | 153.2 | 154.6 | 36.2 | -32.1 | 0 | 0 | 0 | 111.7 | ||||
| 568 | H | 28.7 | Very low | 29.7 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -118.1 | 139.7 | 174.1 | -145.7 | -76.1 | 0 | 0 | 0 | 112.3 | ||||
| 569 | V | 24.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 67% | 0.667 | 74% | 0.737 | S | S | * | * | trans | -93.2 | 140 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | V571 | V569-V571 HydrophobicContact CG1-CG2 3.78Š| ||
| 570 | V | 29.6 | Very low | 29.4 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -138.2 | 144.3 | 152.1 | -179 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 571 | V | 25.5 | Very low | 29.3 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 56% | 0.564 | 76% | 0.756 | S | S | * | * | trans | -120.2 | 135.2 | -169.6 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | V569 N573 | V569-V571 HydrophobicContact CG1-CG2 3.78Å; V571-N573 WeakPolarHBondContact CG1-OD1 3.28Å | ||
| 572 | S | 31.6 | Very low | 29.1 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -157 | 118.3 | 144.4 | -79.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 573 | N | 30.6 | Very low | 29.3 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | 56.3 | 99.9 | 65.4 | -55.3 | -8.7 | 0 | 0 | 0 | 109.1 | V571 | V571-N573 WeakPolarHBondContact CG1-OD1 3.28Š| |||
| 574 | D | 34.7 | Very low | 29.2 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | -146 | 171 | 71.1 | -85.8 | -35.4 | 0 | 0 | 0 | 115.2 | |||||
| 575 | S | 28.9 | Very low | 29.4 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -109.6 | 131.4 | -168.3 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 576 | I | 32.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | -123.5 | 98.8 | 149.3 | -60.5 | -177 | 0 | 0 | 0 | 108 | ||||
| 577 | T | 26.6 | Very low | 29.8 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | trans | -103.2 | 153.2 | 177.9 | 23.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 578 | M | 25.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 69.4 | 159.1 | 169.2 | -59.2 | 174.1 | -71.1 | 0 | 0 | 115 | ||||
| 579 | S | 28.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -137.8 | 148.6 | 9.8 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 580 | I | 27.3 | Very low | 30.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | -76.4 | 145.6 | 169.5 | -64.5 | 160.7 | 0 | 0 | 0 | 110.4 | N582 | I580-N582 HydrophobicContact CG2-CB 3.6Š| ||
| 581 | P | 27.5 | Very low | 30 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -132.8 | 128.8 | 130.7 | 34.6 | -23.7 | 0 | 0 | 0 | 109.6 | ||||
| 582 | N | 25.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | 29.1 | 73.6 | 17.7 | -148 | -3.1 | 0 | 0 | 0 | 118.1 | I580 | I580-N582 HydrophobicContact CG2-CB 3.6Š| ||
| 583 | L | 33.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -142 | 128.8 | 136.6 | -124.9 | 66.2 | 0 | 0 | 0 | 104.6 | ||||
| 584 | S | 27.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | 72.8 | 50.8 | 30.4 | -161.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 585 | S | 34.8 | Very low | 29.9 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -157.3 | 85.6 | 166.3 | 60.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 586 | N | 34.7 | Very low | 30 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | -85 | 168.2 | 123.2 | -69.7 | -49.1 | 0 | 0 | 0 | 106.5 | |||||
| 587 | P | 37.6 | Very low | 30 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | cis | -107.6 | -166.1 | 1.1 | 8 | 18.9 | 0 | 0 | 0 | 110.9 | ||||
| 588 | F | 32.6 | Very low | 30.3 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | cis | -152.1 | 144.5 | 42.8 | -94.1 | -101.3 | 0 | 0 | 0 | 109.5 | ||||
| 589 | L | 28.5 | Very low | 30.6 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | 57.9 | 94.4 | 58.5 | -76.7 | -177.8 | 0 | 0 | 0 | 115 | |||||
| 590 | L | 30.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | -161.7 | 102.1 | 135.4 | -95.7 | 167.4 | 0 | 0 | 0 | 104.6 | ||||
| 591 | S | 26.5 | Very low | 30.9 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | 72 | 116.5 | 74.3 | -170.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 592 | L | 29.9 | Very low | 31 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -161.4 | 117.7 | 135.6 | -107 | 165 | 0 | 0 | 0 | 108.8 | ||||
| 593 | T | 28.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -95.3 | 145.4 | 174.5 | 44.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 594 | G | 31.5 | Very low | 31.2 | Very low | 62 Ų | 62 | 134.6 Ų | 134.6 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | 154.8 | 144 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 595 | D | 30 | Very low | 31.4 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | cis | -146 | 139.8 | 1.2 | -70.6 | -52.3 | 0 | 0 | 0 | 111.1 | ||||
| 596 | I | 31.7 | Very low | 31.3 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -143.6 | 102.1 | 147.2 | -47.9 | 177.6 | 0 | 0 | 0 | 107.7 | ||||
| 597 | N | 30.8 | Very low | 31.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | trans | 159.8 | 125.7 | 131.9 | -90.8 | -69.7 | 0 | 0 | 0 | 113.3 | ||||
| 598 | Q | 32.4 | Very low | 30.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 53.9 | 116.2 | 130.8 | -61 | -175.7 | 17.8 | 0 | 0 | 121.7 | ||||
| 599 | H | 32.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 73.8 | 131.9 | 127 | -92.5 | -78.5 | 0 | 0 | 0 | 122.4 | |||||
| 600 | N | 30.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 81 | 121.7 | 131.8 | -83.3 | -0.3 | 0 | 0 | 0 | 121.4 | ||||
| 601 | I | 30.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | 85.9 | 103.7 | 121.9 | -71.8 | 175.3 | 0 | 0 | 0 | 118.1 | |||||
| 602 | Q | 30.5 | Very low | 31.2 | Very low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 72.5 | 152.2 | 130.2 | -69.1 | -178.1 | -32.7 | 0 | 0 | 121.2 | ||||
| 603 | Q | 32 | Very low | 31.4 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | 72.5 | 109.5 | 151.7 | -75 | 166.5 | 3.6 | 0 | 0 | 116.6 | ||||
| 604 | Q | 32 | Very low | 31.6 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | 77.9 | 94.5 | 96.4 | -76.3 | 174.2 | -21.4 | 0 | 0 | 111.7 | |||||
| 605 | S | 31.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | 74.4 | 122.2 | 76.4 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 606 | S | 32.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | 160.9 | 140.7 | 121.3 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 607 | L | 31.7 | Very low | 32 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 91% | 0.906 | 73% | 0.726 | S | S | * | * | trans | 74.6 | 136.3 | 145.3 | -65.1 | 159.8 | 0 | 0 | 0 | 123.1 | ||||
| 608 | A | 29.6 | Very low | 32.1 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -76 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 609 | P | 34.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | -124.6 | 169.9 | 55.5 | 17.1 | 8 | 0 | 0 | 0 | 113.2 | |||||
| 610 | S | 27.6 | Very low | 32.5 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 58 | 152.5 | 52.9 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 611 | I | 36.2 | Very low | 32.9 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -157.6 | 144.1 | 42.6 | -65.5 | 163.6 | 0 | 0 | 0 | 111.6 | ||||
| 612 | N | 29.3 | Very low | 33 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 19.1 | 160.3 | 147 | -45.3 | -13.9 | 0 | 0 | 0 | 122.2 | ||||
| 613 | S | 33.6 | Very low | 33.2 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | -168.9 | 160.1 | 42.1 | -50.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 614 | S | 32.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 62.5 | 139.6 | 153.9 | 45.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 615 | A | 34.7 | Very low | 33.5 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -162.7 | 153.6 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 616 | Q | 31.7 | Very low | 33.4 | Very low | 187 Ų | 187 | 120.7 Ų | 120.7 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | 62.2 | 145 | 154.9 | -73.6 | -178.4 | -44.2 | 0 | 0 | 119.6 | ||||
| 617 | V | 33.8 | Very low | 33.4 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | -158 | 146.3 | -12.9 | 104.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 618 | T | 34.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 49.1 | 134.9 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 619 | G | 35.2 | Very low | 33.2 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | 163.7 | 154.4 | -11.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 620 | L | 38.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 126 Ų | 126 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 77.3 | 151.8 | 155.5 | -98.5 | 76.9 | 0 | 0 | 0 | 119.3 | ||||
| 621 | P | 37.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 124 Ų | 124 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | -142.3 | -178.4 | -93.1 | 44.4 | -27.9 | 0 | 0 | 0 | 116.8 | |||||
| 622 | S | 32.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 68.2 | 151.9 | 144.8 | -67.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 623 | S | 36.4 | Very low | 32.6 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -173.1 | 156.8 | -18.1 | -94.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 624 | S | 36.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 156.3 | 149.6 | 53.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 625 | T | 33.1 | Very low | 32 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | cis | -159.5 | 151.4 | -22.7 | -88.6 | 0 | 0 | 0 | 0 | 109.1 | V627 | T625-V627 PolarHBondContact O-N 3.03Š| ||
| 626 | L | 30.2 | Very low | 31.7 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -47.5 | 114.6 | 173.8 | 178 | 74.8 | 0 | 0 | 0 | 116.5 | ||||
| 627 | V | 31.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -151.5 | 137.7 | 147.5 | -163.1 | 0 | 0 | 0 | 0 | 104 | T625 | T625-V627 PolarHBondContact O-N 3.03Š| ||
| 628 | G | 27.3 | Very low | 31.8 | Very low | 57 Ų | 57 | 126.6 Ų | 126.6 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | cis | 108.1 | 138.3 | 34.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 629 | F | 29.8 | Very low | 32.3 | Very low | 199 Ų | 199 | 126.8 Ų | 126.8 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | 76.6 | 97.8 | 179.9 | -62.4 | -85.9 | 0 | 0 | 0 | 119.9 | ||||
| 630 | H | 27.7 | Very low | 32.5 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | 17.4 | 111.1 | 121.8 | -150.2 | -89.7 | 0 | 0 | 0 | 118.9 | |||||
| 631 | G | 26.7 | Very low | 32.7 | Very low | 61 Ų | 61 | 126.5 Ų | 126.5 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | 151.1 | 167.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 632 | L | 33.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 124 Ų | 124 | 88% | 0.88 | 73% | 0.726 | S | S | * | * | trans | 63.5 | 105.7 | 177.5 | -48.2 | -178.4 | 0 | 0 | 0 | 114.2 | ||||
| 633 | Q | 27.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | cis | 74.8 | 110.7 | 41.4 | -160.4 | -180 | -64.5 | 0 | 0 | 114.2 | ||||
| 634 | Y | 24.9 | Very low | 33.4 | Very low | 192 Ų | 192 | 127.5 Ų | 127.5 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | 56.1 | 116.1 | 161.6 | -81.9 | -124.1 | 0 | 0 | 0 | 118.6 | ||||
| 635 | N | 29.1 | Very low | 34.1 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | -149.4 | 153.9 | 104.8 | -153 | 0.3 | 0 | 0 | 0 | 113.1 | |||||
| 636 | S | 28.5 | Very low | 35.1 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -71.9 | 156.9 | -167.5 | -40.3 | 0 | 0 | 0 | 0 | 115.8 | S638 | S636-S638 PolarHBondContact O-N 3.47Š| ||
| 637 | G | 30.6 | Very low | 36.6 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | trans | 85 | 11.3 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 638 | S | 37.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | trans | -111.8 | 127.1 | -178.4 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | S636 I640 | S636-S638 PolarHBondContact O-N 3.47Å; S638-I640 VanDerWaalsContact C-N 3.28Å; S638-I640 PolarHBondContact O-N 3.17Å | ||
| 639 | N | 43.3 | Very low | 40.9 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | trans | -75.5 | 75.7 | 168.6 | -74.1 | -42.7 | 0 | 0 | 0 | 110.3 | R651 | N639-R651 PolarHBondContact OD1-O 2.98Š| ||
| 640 | I | 39.2 | Very low | 43.7 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -80.7 | 125.2 | -179.2 | -59.8 | 177.2 | 0 | 0 | 0 | 110.1 | S638 | S638-I640 VanDerWaalsContact C-N 3.28Å; S638-I640 PolarHBondContact O-N 3.17Å | ||
| 641 | I | 42.8 | Very low | 46.8 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 53% | 0.528 | 64% | 0.639 | S | S | . | * | trans | -85.6 | 137.6 | -177.5 | -63.1 | 160.4 | 0 | 0 | 0 | 109.8 | V648 | I641-V648 HydrophobicContact CD1-CG1 3.89Å; I641-V648 HydrophobicContact CG1-CG1 3.99Å; I641-V648 HydrophobicContact CG2-CG1 3.89Å | ||
| 642 | A | 42 | Very low | 49.9 | Very low | 50 Ų | 50 | 115.2 Ų | 115.2 | 41% | 0.413 | 62% | 0.624 | S | S | . | * | trans | -114 | 118 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | M644 A649 | A642-M644 PolarHBondContact O-N 3.24Å; A642-A649 VanDerWaalsContact O-CB 3.24Å; A642-A649 WeakPolarHBondContact O-CB 3.2Å | ||
| 643 | P | 36.9 | Very low | 52.7 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | B | Isolated β-bridge | trans | -74.5 | 118.1 | 179.3 | 29 | -32.7 | 0 | 0 | 0 | 110.7 | ||
| 644 | M | 42.3 | Very low | 55.7 | Low | 162 Ų | 162 | 103.6 Ų | 103.6 | 80% | 0.798 | 57% | 0.57 | S | S | * | * | trans | -131.9 | 83.7 | 175.2 | -74.1 | -70.6 | 178 | 0 | 0 | 108.4 | A642 | A642-M644 PolarHBondContact O-N 3.24Š| ||
| 645 | G | 51.3 | Low | 58.7 | Low | 63 Ų | 63 | 97.6 Ų | 97.6 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 77.7 | -171 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y647 | G645-Y647 PolarHBondContact O-N 2.92Š|
| 646 | N | 55.1 | Low | 61.6 | Low | 171 Ų | 171 | 90.1 Ų | 90.1 | 91% | 0.914 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -72.9 | 18.4 | -171 | -72.4 | -0 | 0 | 0 | 0 | 115.4 | ||
| 647 | Y | 61.2 | Low | 64.3 | Low | 186 Ų | 186 | 86.5 Ų | 86.5 | 73% | 0.729 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -122.5 | 135.3 | 176.6 | -71.3 | -82.8 | 0 | 0 | 0 | 110.7 | G645 A649 | G645-Y647 PolarHBondContact O-N 2.92Å; Y647-A649 PolarHBondContact O-N 2.82Å |
| 648 | V | 69.3 | Low | 66.9 | Low | 73 Ų | 73 | 83.7 Ų | 83.7 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 116.2 | 169.2 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | I641 Y650 | I641-V648 HydrophobicContact CD1-CG1 3.89Å; I641-V648 HydrophobicContact CG1-CG1 3.99Å; I641-V648 HydrophobicContact CG2-CG1 3.89Å; V648-Y650 HydrophobicContact CB-CE2 3.91Å; V648-Y650 HydrophobicContact CG1-CD2 4.21Å; V648-Y650 HydrophobicContact CG1-CE2 3.74Å; V648-Y650 WeakPolarHBondContact O-CD2 3.47Å; V648-Y650 WeakPolarHBondContact O-CE2 3.42Å; V648-Y650 PolarHBondContact O-N 3.15Å |
| 649 | A | 79.7 | Confident | 69.2 | Low | 15 Ų | 15 | 82.4 Ų | 82.4 | 12% | 0.124 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 116.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A642 Y647 I703 | A642-A649 VanDerWaalsContact O-CB 3.24Å; A642-A649 WeakPolarHBondContact O-CB 3.2Å; Y647-A649 PolarHBondContact O-N 2.82Å; A649-I703 HydrophobicContact CB-CG2 4.19Å |
| 650 | Y | 89.5 | Confident | 71.4 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 143.7 | 174 | -71.6 | -104.6 | 0 | 0 | 0 | 109.2 | V648 I703 G704 Q706 | V648-Y650 HydrophobicContact CB-CE2 3.91Å; V648-Y650 HydrophobicContact CG1-CD2 4.21Å; V648-Y650 HydrophobicContact CG1-CE2 3.74Å; V648-Y650 WeakPolarHBondContact O-CD2 3.47Å; V648-Y650 WeakPolarHBondContact O-CE2 3.42Å; V648-Y650 PolarHBondContact O-N 3.15Å; Y650-I703 WeakPolarHBondContact O-CA 3.37Å; Y650-G704 PolarHBondContact N-O 3.17Å; Y650-G704 PolarHBondContact O-N 3.26Å; Y650-G704 VanDerWaalsContact O-N 3.09Å; Y650-Q706 HydrophobicContact CD1-CB 4.14Å; Y650-Q706 HydrophobicContact CD1-CG 3.9Å; Y650-Q706 HydrophobicContact CD2-CB 3.61Å; Y650-Q706 HydrophobicContact CD2-CG 4.3Å; Y650-Q706 HydrophobicContact CE1-CB 4.23Å; Y650-Q706 HydrophobicContact CE1-CG 3.95Å; Y650-Q706 HydrophobicContact CE2-CB 3.75Å; Y650-Q706 HydrophobicContact CE2-CG 4.38Å; Y650-Q706 HydrophobicContact CG-CB 3.84Å; Y650-Q706 HydrophobicContact CG-CG 4.09Å; Y650-Q706 VanDerWaalsContact CZ-OE1 3.27Å; Y650-Q706 PolarHBondContact OH-OE1 3.47Å |
| 651 | R | 91.3 | Very high | 73.7 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 112.8 | 177.4 | -178 | 179.6 | 179.3 | -133.1 | -7.1 | 109.6 | N639 V653 T701 I702 I703 | N639-R651 PolarHBondContact OD1-O 2.98Å; R651-V653 HydrophobicContact CG-CG2 4.21Å; R651-T701 HydrophobicContact CG-CG2 3.95Å; R651-T701 VanDerWaalsContact NE-CG2 3.26Å; R651-T701 PolarHBondContact NH2-OG1 2.99Å; R651-T701 VanDerWaalsContact NH2-OG1 3.09Å; R651-I702 CarbonylContact C-O 3.5Å; R651-I702 VanDerWaalsContact CA-O 3.32Å; R651-I702 WeakPolarHBondContact CA-O 3.37Å; R651-I703 HydrophobicContact CB-CG1 4.36Å; R651-I703 HydrophobicContact CG-CG1 4.05Å |
| 652 | R | 92.2 | Very high | 75.9 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 30% | 0.302 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.1 | 169.7 | -174.3 | 159.3 | 167.9 | 138.6 | 1.1 | 109.4 | I654 I702 V709 Q710 A713 E717 | R652-I654 HydrophobicContact CG-CG1 4.21Å; R652-I702 PolarHBondContact N-O 3.25Å; R652-I702 PolarHBondContact O-N 3.49Å; R652-V709 HydrophobicContact CB-CG1 3.52Å; R652-Q710 VanDerWaalsContact NH1-NE2 3.15Å; R652-A713 VanDerWaalsContact CD-CB 3.48Å; R652-A713 HydrophobicContact CG-CB 4.3Å; R652-A713 VanDerWaalsContact NE-CB 3.3Å; R652-E717 IonicContact CZ-OE1 2.7Å; R652-E717 IonicContact NE-OE1 3.96Å; R652-E717 PolarHBondContact NE-OE1 2.86Å; R652-E717 VanDerWaalsContact NH2-CD 3.32Å; R652-E717 IonicContact NH2-OE1 3.96Å; R652-E717 PolarHBondContact NH2-OE1 2.89Å; R652-E717 IonicContact NH2-OE2 3.72Å; R652-E717 PolarHBondContact NH2-OE2 2.86Å; R652-E717 VanDerWaalsContact NH2-OE2 3.15Å |
| 653 | V | 91.7 | Very high | 78.1 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.3 | -175.7 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | R651 T699 V700 | R651-V653 HydrophobicContact CG-CG2 4.21Å; V653-T699 HydrophobicContact CG1-CG2 3.3Å; V653-V700 CarbonylContact C-O 3.46Å; V653-V700 WeakPolarHBondContact CA-O 3.47Å |
| 654 | I | 90.8 | Very high | 80.6 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.3 | -170.5 | -49 | 172.5 | 0 | 0 | 0 | 108.7 | R652 V656 V700 I702 A713 I716 E717 | R652-I654 HydrophobicContact CG-CG1 4.21Å; I654-V656 HydrophobicContact CG2-CG2 3.99Å; I654-V700 PolarHBondContact N-O 2.88Å; I654-V700 PolarHBondContact O-N 3.01Å; I654-I702 HydrophobicContact CD1-CD1 3.66Å; I654-A713 HydrophobicContact CD1-CB 3.63Å; I654-I716 HydrophobicContact CD1-CG2 4.37Å; I654-E717 HydrophobicContact CD1-CG 4.28Å; I654-E717 WeakPolarHBondContact CD1-OE1 3.26Å; I654-E717 HydrophobicContact CG2-CG 4.12Å |
| 655 | S | 88.6 | Confident | 82.9 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.4 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 110 | ||
| 656 | V | 89.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.5 | -175.7 | 179.5 | 0 | 0 | 0 | 0 | 110 | I654 V660 I661 I664 Y697 R698 V700 I716 | I654-V656 HydrophobicContact CG2-CG2 3.99Å; V656-V660 HydrophobicContact CG1-CB 4.03Å; V656-V660 HydrophobicContact CG1-CG1 4.25Å; V656-I661 HydrophobicContact CG1-CG1 4.14Å; V656-I664 HydrophobicContact CG1-CD1 3.74Å; V656-Y697 WeakPolarHBondContact O-CA 3.38Å; V656-R698 PolarHBondContact N-O 3.35Å; V656-R698 PolarHBondContact O-N 3.04Å; V656-V700 HydrophobicContact CB-CG2 4.06Å; V656-V700 HydrophobicContact CG2-CB 4.42Å; V656-V700 HydrophobicContact CG2-CG2 3.69Å; V656-I716 HydrophobicContact CG2-CG2 3.94Å |
| 657 | P | 86.9 | Confident | 86 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 140.9 | 178.6 | 27.6 | -33.5 | 0 | 0 | 0 | 111.6 | S659 V660 Y697 T720 | P657-S659 PolarHBondContact O-N 3.03Å; P657-S659 VanDerWaalsContact O-N 3.07Å; P657-V660 HydrophobicContact CG-CG2 3.94Å; P657-V660 PolarHBondContact O-N 3.07Å; P657-Y697 HydrophobicContact CB-CD1 4.16Å; P657-Y697 HydrophobicContact CB-CE1 4.01Å; P657-Y697 HydrophobicContact CG-CE1 4.17Å; P657-T720 HydrophobicContact CG-CG2 4.19Å |
| 658 | E | 83.9 | Confident | 87 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -27.9 | -172.7 | -179.2 | 166.5 | -165 | 0 | 0 | 113.9 | V660 I661 K688 Y691 Q696 R698 | E658-V660 PolarHBondContact O-N 3.48Å; E658-I661 HydrophobicContact CB-CD1 4.25Å; E658-I661 HydrophobicContact CG-CD1 4.48Å; E658-I661 PolarHBondContact O-N 3.47Å; E658-K688 VanDerWaalsContact OE1-CD 3.32Å; E658-K688 WeakPolarHBondContact OE1-CD 3.46Å; E658-K688 WeakPolarHBondContact OE1-CE 3.47Å; E658-K688 IonicContact OE1-NZ 2.72Å; E658-K688 PolarHBondContact OE1-NZ 2.83Å; E658-Y691 VanDerWaalsContact OE2-CE1 3.29Å; E658-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E658-Y691 PolarHBondContact OE2-OH 2.95Å; E658-Q696 PolarHBondContact N-O 2.91Å; E658-R698 IonicContact OE1-CZ 3.24Å; E658-R698 IonicContact OE1-NE 2.69Å; E658-R698 IonicContact OE1-NH2 3.7Å; E658-R698 PolarHBondContact OE1-NH2 3.39Å |
| 659 | S | 84.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -22.8 | 173.4 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | P657 R727 | P657-S659 PolarHBondContact O-N 3.03Å; P657-S659 VanDerWaalsContact O-N 3.07Å; S659-R727 PolarHBondContact O-NH2 3.27Å; S659-R727 VanDerWaalsContact OG-CZ 3.28Å; S659-R727 PolarHBondContact OG-NH1 3.33Å; S659-R727 VanDerWaalsContact OG-NH1 3.12Å; S659-R727 PolarHBondContact OG-NH2 3.19Å |
| 660 | V | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99 | -25.4 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | V656 P657 E658 N662 I663 I664 I719 E723 | V656-V660 HydrophobicContact CG1-CB 4.03Å; V656-V660 HydrophobicContact CG1-CG1 4.25Å; P657-V660 HydrophobicContact CG-CG2 3.94Å; P657-V660 PolarHBondContact O-N 3.07Å; E658-V660 PolarHBondContact O-N 3.48Å; V660-N662 VanDerWaalsContact C-N 3.25Å; V660-N662 PolarHBondContact O-N 2.96Å; V660-I663 WeakPolarHBondContact O-CB 3.17Å; V660-I663 PolarHBondContact O-N 3.23Å; V660-I664 HydrophobicContact CG1-CD1 3.84Å; V660-I664 HydrophobicContact CG1-CG1 4.24Å; V660-I664 PolarHBondContact O-N 3.18Å; V660-I719 HydrophobicContact CG1-CG2 3.87Å; V660-E723 HydrophobicContact CG2-CB 3.66Å; V660-E723 HydrophobicContact CG2-CG 4.34Å |
| 661 | I | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -37.3 | -174.8 | -64.1 | 176.4 | 0 | 0 | 0 | 112.5 | V656 E658 I663 I664 L665 I685 R698 | V656-I661 HydrophobicContact CG1-CG1 4.14Å; E658-I661 HydrophobicContact CB-CD1 4.25Å; E658-I661 HydrophobicContact CG-CD1 4.48Å; E658-I661 PolarHBondContact O-N 3.47Å; I661-I663 PolarHBondContact O-N 3.33Å; I661-I664 PolarHBondContact O-N 2.96Å; I661-L665 HydrophobicContact CG2-CD1 3.8Å; I661-L665 HydrophobicContact CG2-CG 4.13Å; I661-L665 WeakPolarHBondContact O-CB 3.12Å; I661-L665 WeakPolarHBondContact O-CG 3.3Å; I661-L665 PolarHBondContact O-N 3.33Å; I661-I685 HydrophobicContact CD1-CG2 4.29Å; I661-I685 HydrophobicContact CG2-CD1 4.11Å; I661-I685 HydrophobicContact CG2-CG2 4.03Å; I661-R698 HydrophobicContact CD1-CB 3.47Å; I661-R698 VanDerWaalsContact CD1-CB 3.47Å; I661-R698 HydrophobicContact CD1-CG 3.5Å; I661-R698 VanDerWaalsContact CD1-CG 3.5Å |
| 662 | N | 87.7 | Confident | 88.4 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.6 | -26 | 178.6 | -60.5 | -34.8 | 0 | 0 | 0 | 112.7 | V660 G666 | V660-N662 VanDerWaalsContact C-N 3.25Å; V660-N662 PolarHBondContact O-N 2.96Å; N662-G666 WeakPolarHBondContact O-CA 3.33Å; N662-G666 PolarHBondContact O-N 3.11Å |
| 663 | I | 89.1 | Confident | 88.3 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -81.3 | -42.6 | 177.4 | -61.3 | 164.2 | 0 | 0 | 0 | 109.9 | V660 I661 G666 I719 E723 | V660-I663 WeakPolarHBondContact O-CB 3.17Å; V660-I663 PolarHBondContact O-N 3.23Å; I661-I663 PolarHBondContact O-N 3.33Å; I663-G666 PolarHBondContact O-N 2.71Å; I663-I719 HydrophobicContact CG2-CG2 4.23Å; I663-E723 HydrophobicContact CD1-CG 3.55Å; I663-E723 WeakPolarHBondContact CD1-OE1 3.19Å |
| 664 | I | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 176.5 | -64.3 | 161.1 | 0 | 0 | 0 | 111.6 | V656 V660 I661 S671 I672 L675 I685 I716 I719 | V656-I664 HydrophobicContact CG1-CD1 3.74Å; V660-I664 HydrophobicContact CG1-CD1 3.84Å; V660-I664 HydrophobicContact CG1-CG1 4.24Å; V660-I664 PolarHBondContact O-N 3.18Å; I661-I664 PolarHBondContact O-N 2.96Å; I664-S671 CarbonylContact O-C 3.57Å; I664-S671 WeakPolarHBondContact O-CB 3.2Å; I664-I672 PolarHBondContact O-N 3.45Å; I664-I672 VanDerWaalsContact O-N 3.11Å; I664-L675 HydrophobicContact CG2-CD1 4.22Å; I664-I685 HydrophobicContact CG2-CD1 4.17Å; I664-I716 HydrophobicContact CD1-CG2 4.03Å; I664-I716 HydrophobicContact CG2-CG1 4.43Å; I664-I719 HydrophobicContact CG1-CG2 4.04Å |
| 665 | L | 88.9 | Confident | 88.3 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 172 | -70.3 | 174.5 | 0 | 0 | 0 | 111.6 | I661 G669 R670 S671 I672 I685 | I661-L665 HydrophobicContact CG2-CD1 3.8Å; I661-L665 HydrophobicContact CG2-CG 4.13Å; I661-L665 WeakPolarHBondContact O-CB 3.12Å; I661-L665 WeakPolarHBondContact O-CG 3.3Å; I661-L665 PolarHBondContact O-N 3.33Å; L665-G669 CarbonylContact O-C 3.57Å; L665-G669 WeakPolarHBondContact O-CA 3.32Å; L665-R670 PolarHBondContact O-N 2.96Å; L665-S671 WeakPolarHBondContact O-CB 3.46Å; L665-S671 PolarHBondContact O-N 3.21Å; L665-I672 HydrophobicContact CD2-CB 4.22Å; L665-I672 HydrophobicContact CD2-CD1 3.96Å; L665-I672 HydrophobicContact CD2-CG2 3.75Å; L665-I672 PolarHBondContact O-N 3.39Å; L665-I685 HydrophobicContact CD2-CD1 3.82Å; L665-I685 HydrophobicContact CG-CD1 4.07Å |
| 666 | G | 86.7 | Confident | 88.5 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | trans | 67.9 | 177.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | N662 I663 Q668 G669 | N662-G666 WeakPolarHBondContact O-CA 3.33Å; N662-G666 PolarHBondContact O-N 3.11Å; I663-G666 PolarHBondContact O-N 2.71Å; G666-Q668 PolarHBondContact O-N 2.89Å; G666-G669 PolarHBondContact O-N 3.24Å; G666-G669 VanDerWaalsContact O-N 3.17Å | ||
| 667 | H | 85.8 | Confident | 88.5 | Confident | 161 Ų | 161 | 65.7 Ų | 65.7 | 75% | 0.745 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -63.6 | 127.5 | -179.7 | -161.3 | -108.5 | 0 | 0 | 0 | 110.7 | G669 R670 | H667-G669 PolarHBondContact O-N 2.88Å; H667-G669 VanDerWaalsContact O-N 3.11Å; H667-R670 PolarHBondContact O-N 2.86Å |
| 668 | Q | 82.3 | Confident | 88.7 | Confident | 176 Ų | 176 | 72 Ų | 72 | 82% | 0.822 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | 54.1 | 21.5 | -174.5 | -57.9 | 176.7 | 15.6 | 0 | 0 | 115.2 | G666 R670 | G666-Q668 PolarHBondContact O-N 2.89Å; Q668-R670 VanDerWaalsContact C-N 3.34Å |
| 669 | G | 87 | Confident | 89 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 25% | 0.247 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | 78.6 | 10.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L665 G666 H667 S671 I672 M673 | L665-G669 CarbonylContact O-C 3.57Å; L665-G669 WeakPolarHBondContact O-CA 3.32Å; G666-G669 PolarHBondContact O-N 3.24Å; G666-G669 VanDerWaalsContact O-N 3.17Å; H667-G669 PolarHBondContact O-N 2.88Å; H667-G669 VanDerWaalsContact O-N 3.11Å; G669-S671 PolarHBondContact O-N 3.25Å; G669-I672 WeakPolarHBondContact O-CG2 3.33Å; G669-M673 PolarHBondContact O-N 3Å; G669-M673 VanDerWaalsContact O-N 3.16Å |
| 670 | R | 88.4 | Confident | 89.3 | Confident | 176 Ų | 176 | 71.4 Ų | 71.4 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 178.3 | -81.2 | -164 | 178.1 | -166.8 | 1.8 | 113 | L665 H667 Q668 I672 M673 D674 | L665-R670 PolarHBondContact O-N 2.96Å; H667-R670 PolarHBondContact O-N 2.86Å; Q668-R670 VanDerWaalsContact C-N 3.34Å; R670-I672 VanDerWaalsContact C-N 3.3Å; R670-I672 PolarHBondContact O-N 3.34Å; R670-M673 CarbonylContact O-C 3.15Å; R670-M673 PolarHBondContact O-N 3.29Å; R670-D674 WeakPolarHBondContact O-CB 3.48Å; R670-D674 VanDerWaalsContact O-CG 3.31Å; R670-D674 PolarHBondContact O-N 2.68Å |
| 671 | S | 91.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | -175 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | I664 L665 G669 L675 | I664-S671 CarbonylContact O-C 3.57Å; I664-S671 WeakPolarHBondContact O-CB 3.2Å; L665-S671 WeakPolarHBondContact O-CB 3.46Å; L665-S671 PolarHBondContact O-N 3.21Å; G669-S671 PolarHBondContact O-N 3.25Å; S671-L675 WeakPolarHBondContact O-CB 3.39Å; S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 WeakPolarHBondContact O-CG 3.38Å; S671-L675 PolarHBondContact O-N 2.81Å |
| 672 | I | 91.8 | Very high | 89.5 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 10% | 0.103 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 174.3 | -174.3 | 166.4 | 0 | 0 | 0 | 112 | I664 L665 G669 R670 L675 Q676 I683 I685 | I664-I672 PolarHBondContact O-N 3.45Å; I664-I672 VanDerWaalsContact O-N 3.11Å; L665-I672 HydrophobicContact CD2-CB 4.22Å; L665-I672 HydrophobicContact CD2-CD1 3.96Å; L665-I672 HydrophobicContact CD2-CG2 3.75Å; L665-I672 PolarHBondContact O-N 3.39Å; G669-I672 WeakPolarHBondContact O-CG2 3.33Å; R670-I672 VanDerWaalsContact C-N 3.3Å; R670-I672 PolarHBondContact O-N 3.34Å; I672-L675 PolarHBondContact O-N 2.93Å; I672-Q676 HydrophobicContact CG1-CG 4.38Å; I672-Q676 WeakPolarHBondContact O-CB 3.25Å; I672-Q676 WeakPolarHBondContact O-CG 3.36Å; I672-Q676 PolarHBondContact O-N 3.4Å; I672-I683 HydrophobicContact CD1-CB 4.22Å; I672-I683 HydrophobicContact CD1-CG2 3.94Å; I672-I683 HydrophobicContact CG1-CB 4.24Å; I672-I683 HydrophobicContact CG1-CG2 4.29Å; I672-I685 HydrophobicContact CD1-CD1 4.04Å; I672-I685 HydrophobicContact CD1-CG1 4.03Å |
| 673 | M | 90.4 | Very high | 89.8 | Confident | 129 Ų | 129 | 70 Ų | 70 | 64% | 0.635 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 175.3 | -174.6 | 169.5 | -74.6 | 0 | 0 | 112 | G669 R670 Q676 L677 | G669-M673 PolarHBondContact O-N 3Å; G669-M673 VanDerWaalsContact O-N 3.16Å; R670-M673 CarbonylContact O-C 3.15Å; R670-M673 PolarHBondContact O-N 3.29Å; M673-Q676 PolarHBondContact O-N 3.38Å; M673-L677 VanDerWaalsContact O-CB 3.31Å; M673-L677 WeakPolarHBondContact O-CB 3.48Å; M673-L677 PolarHBondContact O-N 3.31Å |
| 674 | D | 91.6 | Very high | 89.9 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.7 | -67.1 | -38.1 | 0 | 0 | 0 | 110.8 | R670 L677 L678 | R670-D674 WeakPolarHBondContact O-CB 3.48Å; R670-D674 VanDerWaalsContact O-CG 3.31Å; R670-D674 PolarHBondContact O-N 2.68Å; D674-L677 PolarHBondContact O-N 2.86Å; D674-L678 VanDerWaalsContact O-CB 3.28Å; D674-L678 WeakPolarHBondContact O-CB 3.4Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 WeakPolarHBondContact O-CG 3.38Å; D674-L678 PolarHBondContact O-N 2.67Å |
| 675 | L | 90.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 173.2 | -77.9 | 167.7 | 0 | 0 | 0 | 112.6 | I664 S671 I672 T679 I683 V715 | I664-L675 HydrophobicContact CG2-CD1 4.22Å; S671-L675 WeakPolarHBondContact O-CB 3.39Å; S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 WeakPolarHBondContact O-CG 3.38Å; S671-L675 PolarHBondContact O-N 2.81Å; I672-L675 PolarHBondContact O-N 2.93Å; L675-T679 WeakPolarHBondContact O-CB 3.31Å; L675-T679 VanDerWaalsContact O-CG2 3.32Å; L675-T679 WeakPolarHBondContact O-CG2 3.48Å; L675-T679 PolarHBondContact O-N 3.09Å; L675-T679 PolarHBondContact O-OG1 2.79Å; L675-I683 HydrophobicContact CB-CD1 3.92Å; L675-V715 HydrophobicContact CD2-CG1 3.69Å |
| 676 | Q | 92.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.1 | -73.7 | 174.9 | -5.9 | 0 | 0 | 111.3 | I672 M673 G680 T681 I683 | I672-Q676 HydrophobicContact CG1-CG 4.38Å; I672-Q676 WeakPolarHBondContact O-CB 3.25Å; I672-Q676 WeakPolarHBondContact O-CG 3.36Å; I672-Q676 PolarHBondContact O-N 3.4Å; M673-Q676 PolarHBondContact O-N 3.38Å; Q676-G680 VanDerWaalsContact O-CA 3.32Å; Q676-G680 WeakPolarHBondContact O-CA 3.42Å; Q676-G680 PolarHBondContact O-N 2.89Å; Q676-T681 WeakPolarHBondContact CA-O 3.4Å; Q676-T681 WeakPolarHBondContact CB-O 3.24Å; Q676-T681 WeakPolarHBondContact CG-O 3.47Å; Q676-T681 PolarHBondContact O-N 3Å; Q676-I683 HydrophobicContact CG-CB 3.93Å; Q676-I683 HydrophobicContact CG-CD1 4.06Å; Q676-I683 HydrophobicContact CG-CG1 3.95Å; Q676-I683 PolarHBondContact NE2-O 2.86Å |
| 677 | L | 91.3 | Very high | 89.5 | Confident | 139 Ų | 139 | 78.7 Ų | 78.7 | 73% | 0.728 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.6 | -44 | 179.6 | -179.5 | 62.6 | 0 | 0 | 0 | 112.8 | M673 D674 | M673-L677 VanDerWaalsContact O-CB 3.31Å; M673-L677 WeakPolarHBondContact O-CB 3.48Å; M673-L677 PolarHBondContact O-N 3.31Å; D674-L677 PolarHBondContact O-N 2.86Å |
| 678 | L | 90.5 | Very high | 88.9 | Confident | 146 Ų | 146 | 77.9 Ų | 77.9 | 76% | 0.764 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67 | -38.3 | 179.2 | -74 | 167.4 | 0 | 0 | 0 | 112.3 | D674 | D674-L678 VanDerWaalsContact O-CB 3.28Å; D674-L678 WeakPolarHBondContact O-CB 3.4Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 WeakPolarHBondContact O-CG 3.38Å; D674-L678 PolarHBondContact O-N 2.67Å |
| 679 | T | 90.5 | Very high | 88 | Confident | 15 Ų | 15 | 73.6 Ų | 73.6 | 9% | 0.092 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -91.5 | -20.4 | -177.6 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | L675 T681 N708 A712 | L675-T679 WeakPolarHBondContact O-CB 3.31Å; L675-T679 VanDerWaalsContact O-CG2 3.32Å; L675-T679 WeakPolarHBondContact O-CG2 3.48Å; L675-T679 PolarHBondContact O-N 3.09Å; L675-T679 PolarHBondContact O-OG1 2.79Å; T679-T681 VanDerWaalsContact C-N 3.29Å; T679-T681 PolarHBondContact OG1-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3Å; T679-N708 VanDerWaalsContact O-CB 3.27Å; T679-N708 WeakPolarHBondContact O-CB 3.47Å; T679-N708 PolarHBondContact O-ND2 2.81Å; T679-A712 HydrophobicContact CG2-CB 3.77Å |
| 680 | G | 89.7 | Confident | 86.9 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 31.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q676 | Q676-G680 VanDerWaalsContact O-CA 3.32Å; Q676-G680 WeakPolarHBondContact O-CA 3.42Å; Q676-G680 PolarHBondContact O-N 2.89Å |
| 681 | T | 91.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.043 | 39% | 0.391 | C | S | . | . | trans | -117.6 | 149.6 | 178.5 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | Q676 T679 I683 I702 I703 N708 V709 A712 | Q676-T681 WeakPolarHBondContact CA-O 3.4Å; Q676-T681 WeakPolarHBondContact CB-O 3.24Å; Q676-T681 WeakPolarHBondContact CG-O 3.47Å; Q676-T681 PolarHBondContact O-N 3Å; T679-T681 VanDerWaalsContact C-N 3.29Å; T679-T681 PolarHBondContact OG1-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3Å; T681-I683 WeakPolarHBondContact OG1-CG1 3.32Å; T681-I702 HydrophobicContact CG2-CG2 4.19Å; T681-I703 CarbonylContact C-O 3.42Å; T681-I703 WeakPolarHBondContact CA-O 3.43Å; T681-I703 WeakPolarHBondContact CB-O 3.39Å; T681-N708 VanDerWaalsContact CG2-C 3.45Å; T681-N708 HydrophobicContact CG2-CB 3.69Å; T681-N708 WeakPolarHBondContact CG2-O 3.28Å; T681-V709 HydrophobicContact CG2-CG2 4.09Å; T681-A712 HydrophobicContact CG2-CB 4.13Å | ||
| 682 | A | 92.4 | Very high | 84.3 | Confident | 60 Ų | 60 | 73.8 Ų | 73.8 | 50% | 0.496 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I703 | A682-I703 HydrophobicContact CB-CB 4.43Å; A682-I703 PolarHBondContact N-O 2.85Å; A682-I703 PolarHBondContact O-N 3.48Å |
| 683 | I | 93 | Very high | 82.6 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120 | -179.1 | -54.6 | 170.7 | 0 | 0 | 0 | 108.9 | I672 L675 Q676 T681 V700 I702 I716 | I672-I683 HydrophobicContact CD1-CB 4.22Å; I672-I683 HydrophobicContact CD1-CG2 3.94Å; I672-I683 HydrophobicContact CG1-CB 4.24Å; I672-I683 HydrophobicContact CG1-CG2 4.29Å; L675-I683 HydrophobicContact CB-CD1 3.92Å; Q676-I683 HydrophobicContact CG-CB 3.93Å; Q676-I683 HydrophobicContact CG-CD1 4.06Å; Q676-I683 HydrophobicContact CG-CG1 3.95Å; Q676-I683 PolarHBondContact NE2-O 2.86Å; T681-I683 WeakPolarHBondContact OG1-CG1 3.32Å; I683-V700 HydrophobicContact CG2-CG1 3.78Å; I683-I702 HydrophobicContact CG1-CG2 4.38Å; I683-I716 HydrophobicContact CD1-CD1 4.32Å; I683-I716 HydrophobicContact CG2-CD1 4.23Å |
| 684 | Q | 91.2 | Very high | 81.1 | Confident | 135 Ų | 135 | 76.7 Ų | 76.7 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.6 | -179.3 | -172.1 | -176.9 | 23.7 | 0 | 0 | 110.5 | T701 | Q684-T701 PolarHBondContact N-O 3.17Å; Q684-T701 PolarHBondContact O-N 3.22Å |
| 685 | I | 90.6 | Very high | 80 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.9 | 178.9 | -51.6 | -169 | 0 | 0 | 0 | 109.7 | I661 I664 L665 I672 V700 | I661-I685 HydrophobicContact CD1-CG2 4.29Å; I661-I685 HydrophobicContact CG2-CD1 4.11Å; I661-I685 HydrophobicContact CG2-CG2 4.03Å; I664-I685 HydrophobicContact CG2-CD1 4.17Å; L665-I685 HydrophobicContact CD2-CD1 3.82Å; L665-I685 HydrophobicContact CG-CD1 4.07Å; I672-I685 HydrophobicContact CD1-CD1 4.04Å; I672-I685 HydrophobicContact CD1-CG1 4.03Å; I685-V700 HydrophobicContact CD1-CG2 4.34Å; I685-V700 HydrophobicContact CG1-CG1 4.31Å; I685-V700 HydrophobicContact CG1-CG2 4.12Å; I685-V700 HydrophobicContact CG2-CG2 4.33Å |
| 686 | S | 85.4 | Confident | 79.3 | Confident | 23 Ų | 23 | 80.8 Ų | 80.8 | 16% | 0.161 | 47% | 0.468 | C | S | . | . | trans | -66.6 | 151.7 | 178.1 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | T690 R698 T699 | S686-T690 PolarHBondContact OG-O 3.06Å; S686-R698 WeakPolarHBondContact O-CD 3.26Å; S686-R698 PolarHBondContact O-NH1 3.34Å; S686-R698 WeakPolarHBondContact OG-CB 3.29Å; S686-T699 PolarHBondContact N-O 2.93Å; S686-T699 PolarHBondContact OG-N 3.41Å | ||
| 687 | Q | 82.3 | Confident | 78.9 | Confident | 147 Ų | 147 | 82.4 Ų | 82.4 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | trans | -67.2 | 162.6 | -176.5 | -61.9 | -173.5 | 5.8 | 0 | 0 | 111.8 | S689 T690 | Q687-S689 PolarHBondContact O-N 3.08Å; Q687-T690 PolarHBondContact O-N 2.75Å; Q687-T690 VanDerWaalsContact O-N 3.14Å | ||
| 688 | K | 71.7 | Confident | 78.7 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 38.9 | -175.6 | -164.9 | 167.5 | 174 | 145.5 | 0 | 114.4 | E658 Y691 | E658-K688 VanDerWaalsContact OE1-CD 3.32Å; E658-K688 WeakPolarHBondContact OE1-CD 3.46Å; E658-K688 WeakPolarHBondContact OE1-CE 3.47Å; E658-K688 IonicContact OE1-NZ 2.72Å; E658-K688 PolarHBondContact OE1-NZ 2.83Å; K688-Y691 WeakPolarHBondContact CG-OH 3.4Å |
| 689 | S | 65.1 | Low | 78.6 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.4 | -19.7 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | Q687 Y691 | Q687-S689 PolarHBondContact O-N 3.08Å; S689-Y691 VanDerWaalsContact C-N 3.3Å; S689-Y691 PolarHBondContact O-N 3.31Å; S689-Y691 VanDerWaalsContact O-N 3.13Å |
| 690 | T | 62.7 | Low | 78.7 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | trans | -89.8 | 63.6 | 180 | -32.6 | 0 | 0 | 0 | 0 | 111 | S686 Q687 | S686-T690 PolarHBondContact OG-O 3.06Å; Q687-T690 PolarHBondContact O-N 2.75Å; Q687-T690 VanDerWaalsContact O-N 3.14Å | ||
| 691 | Y | 62.5 | Low | 78.9 | Confident | 82 Ų | 82 | 69 Ų | 69 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | trans | -84.9 | 148.7 | 173.7 | -59.9 | -84.7 | 0 | 0 | 0 | 110.9 | E658 K688 S689 R698 | E658-Y691 VanDerWaalsContact OE2-CE1 3.29Å; E658-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E658-Y691 PolarHBondContact OE2-OH 2.95Å; K688-Y691 WeakPolarHBondContact CG-OH 3.4Å; S689-Y691 VanDerWaalsContact C-N 3.3Å; S689-Y691 PolarHBondContact O-N 3.31Å; S689-Y691 VanDerWaalsContact O-N 3.13Å; Y691-R698 HydrophobicContact CD1-CG 4.33Å; Y691-R698 HydrophobicContact CE1-CG 4.19Å | ||
| 692 | L | 62.3 | Low | 79 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | trans | -72.7 | 130.1 | 163.7 | -69.9 | 92.9 | 0 | 0 | 0 | 108.6 | G694 S695 | L692-G694 PolarHBondContact O-N 3.15Å; L692-S695 WeakPolarHBondContact O-CB 3.42Å; L692-S695 PolarHBondContact O-N 3.43Å; L692-S695 PolarHBondContact O-OG 2.7Å | ||
| 693 | S | 56.2 | Low | 79 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 79% | 0.79 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 116 | -166.1 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 694 | G | 60.2 | Low | 78.9 | Confident | 96 Ų | 96 | 69 Ų | 69 | 99% | 0.99 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 1.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L692 | L692-G694 PolarHBondContact O-N 3.15Š|
| 695 | S | 67 | Low | 78.9 | Confident | 41 Ų | 41 | 65 Ų | 65 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | trans | -119.7 | 145.4 | -175 | 82.4 | 0 | 0 | 0 | 0 | 112.7 | L692 Y697 | L692-S695 WeakPolarHBondContact O-CB 3.42Å; L692-S695 PolarHBondContact O-N 3.43Å; L692-S695 PolarHBondContact O-OG 2.7Å; S695-Y697 PolarHBondContact O-N 3.2Å; S695-Y697 VanDerWaalsContact O-N 3.12Å | ||
| 696 | Q | 77.3 | Confident | 78.9 | Confident | 147 Ų | 147 | 69.2 Ų | 69.2 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -80.4 | 21.6 | 177.2 | -65.1 | -171.9 | -2.1 | 0 | 0 | 113.5 | E658 | E658-Q696 PolarHBondContact N-O 2.91Š|
| 697 | Y | 83.7 | Confident | 79.1 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136 | -178.6 | -66.3 | -103.9 | 0 | 0 | 0 | 110.4 | V656 P657 S695 | V656-Y697 WeakPolarHBondContact O-CA 3.38Å; P657-Y697 HydrophobicContact CB-CD1 4.16Å; P657-Y697 HydrophobicContact CB-CE1 4.01Å; P657-Y697 HydrophobicContact CG-CE1 4.17Å; S695-Y697 PolarHBondContact O-N 3.2Å; S695-Y697 VanDerWaalsContact O-N 3.12Å |
| 698 | R | 87.2 | Confident | 79.6 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 162.2 | 166.1 | -57.5 | -156 | -149.7 | 154.2 | 10.4 | 110.4 | V656 E658 I661 S686 Y691 | V656-R698 PolarHBondContact N-O 3.35Å; V656-R698 PolarHBondContact O-N 3.04Å; E658-R698 IonicContact OE1-CZ 3.24Å; E658-R698 IonicContact OE1-NE 2.69Å; E658-R698 IonicContact OE1-NH2 3.7Å; E658-R698 PolarHBondContact OE1-NH2 3.39Å; I661-R698 HydrophobicContact CD1-CB 3.47Å; I661-R698 VanDerWaalsContact CD1-CB 3.47Å; I661-R698 HydrophobicContact CD1-CG 3.5Å; I661-R698 VanDerWaalsContact CD1-CG 3.5Å; S686-R698 WeakPolarHBondContact O-CD 3.26Å; S686-R698 PolarHBondContact O-NH1 3.34Å; S686-R698 WeakPolarHBondContact OG-CB 3.29Å; Y691-R698 HydrophobicContact CD1-CG 4.33Å; Y691-R698 HydrophobicContact CE1-CG 4.19Å |
| 699 | T | 88.1 | Confident | 80.7 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.6 | -177.7 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | V653 S686 | V653-T699 HydrophobicContact CG1-CG2 3.3Å; S686-T699 PolarHBondContact N-O 2.93Å; S686-T699 PolarHBondContact OG-N 3.41Å |
| 700 | V | 92.2 | Very high | 82 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122 | 167.6 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | V653 I654 V656 I683 I685 I702 I716 | V653-V700 CarbonylContact C-O 3.46Å; V653-V700 WeakPolarHBondContact CA-O 3.47Å; I654-V700 PolarHBondContact N-O 2.88Å; I654-V700 PolarHBondContact O-N 3.01Å; V656-V700 HydrophobicContact CB-CG2 4.06Å; V656-V700 HydrophobicContact CG2-CB 4.42Å; V656-V700 HydrophobicContact CG2-CG2 3.69Å; I683-V700 HydrophobicContact CG2-CG1 3.78Å; I685-V700 HydrophobicContact CD1-CG2 4.34Å; I685-V700 HydrophobicContact CG1-CG1 4.31Å; I685-V700 HydrophobicContact CG1-CG2 4.12Å; I685-V700 HydrophobicContact CG2-CG2 4.33Å; V700-I702 HydrophobicContact CG1-CG1 4.27Å; V700-I716 HydrophobicContact CG1-CD1 4.27Å |
| 701 | T | 93.4 | Very high | 83.5 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.6 | 174 | -71.8 | 0 | 0 | 0 | 0 | 108.7 | R651 Q684 I703 | R651-T701 HydrophobicContact CG-CG2 3.95Å; R651-T701 VanDerWaalsContact NE-CG2 3.26Å; R651-T701 PolarHBondContact NH2-OG1 2.99Å; R651-T701 VanDerWaalsContact NH2-OG1 3.09Å; Q684-T701 PolarHBondContact N-O 3.17Å; Q684-T701 PolarHBondContact O-N 3.22Å; T701-I703 HydrophobicContact CG2-CD1 3.9Å; T701-I703 HydrophobicContact CG2-CG1 3.83Å |
| 702 | I | 94.2 | Very high | 85 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.4 | 178.5 | -53.3 | 176.8 | 0 | 0 | 0 | 107.7 | R651 R652 I654 T681 I683 V700 V709 A712 A713 I716 | R651-I702 CarbonylContact C-O 3.5Å; R651-I702 VanDerWaalsContact CA-O 3.32Å; R651-I702 WeakPolarHBondContact CA-O 3.37Å; R652-I702 PolarHBondContact N-O 3.25Å; R652-I702 PolarHBondContact O-N 3.49Å; I654-I702 HydrophobicContact CD1-CD1 3.66Å; T681-I702 HydrophobicContact CG2-CG2 4.19Å; I683-I702 HydrophobicContact CG1-CG2 4.38Å; V700-I702 HydrophobicContact CG1-CG1 4.27Å; I702-V709 HydrophobicContact CB-CG1 4.36Å; I702-V709 HydrophobicContact CG2-CB 4.32Å; I702-V709 HydrophobicContact CG2-CG1 4.05Å; I702-V709 HydrophobicContact CG2-CG2 4.2Å; I702-A712 HydrophobicContact CD1-CB 4.17Å; I702-A712 HydrophobicContact CG2-CB 3.81Å; I702-A713 HydrophobicContact CD1-CB 3.98Å; I702-I716 HydrophobicContact CD1-CD1 3.97Å |
| 703 | I | 93.7 | Very high | 86.5 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.5 | -177.2 | -58 | 170 | 0 | 0 | 0 | 110.2 | A649 Y650 R651 T681 A682 T701 | A649-I703 HydrophobicContact CB-CG2 4.19Å; Y650-I703 WeakPolarHBondContact O-CA 3.37Å; R651-I703 HydrophobicContact CB-CG1 4.36Å; R651-I703 HydrophobicContact CG-CG1 4.05Å; T681-I703 CarbonylContact C-O 3.42Å; T681-I703 WeakPolarHBondContact CA-O 3.43Å; T681-I703 WeakPolarHBondContact CB-O 3.39Å; A682-I703 HydrophobicContact CB-CB 4.43Å; A682-I703 PolarHBondContact N-O 2.85Å; A682-I703 PolarHBondContact O-N 3.48Å; T701-I703 HydrophobicContact CG2-CD1 3.9Å; T701-I703 HydrophobicContact CG2-CG1 3.83Å |
| 704 | G | 91.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162 | -162 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y650 V709 | Y650-G704 PolarHBondContact N-O 3.17Å; Y650-G704 PolarHBondContact O-N 3.26Å; Y650-G704 VanDerWaalsContact O-N 3.09Å; G704-V709 VanDerWaalsContact C-CG2 3.49Å; G704-V709 WeakPolarHBondContact O-CG2 3.41Å |
| 705 | P | 89.9 | Confident | 89.8 | Confident | 53 Ų | 53 | 50 Ų | 50 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | trans | -62.7 | 147.1 | 172.5 | -17.7 | 29.7 | 0 | 0 | 0 | 111.8 | V707 N708 V709 | P705-V707 PolarHBondContact O-N 2.92Å; P705-N708 HydrophobicContact CB-CB 4.17Å; P705-N708 HydrophobicContact CG-CB 4.28Å; P705-N708 WeakPolarHBondContact O-CB 3.5Å; P705-N708 PolarHBondContact O-N 3.43Å; P705-N708 VanDerWaalsContact O-N 3.15Å; P705-V709 WeakPolarHBondContact O-CB 3.25Å; P705-V709 VanDerWaalsContact O-CG2 3.3Å; P705-V709 WeakPolarHBondContact O-CG2 3.19Å; P705-V709 PolarHBondContact O-N 2.82Å | ||
| 706 | Q | 90.6 | Very high | 91.1 | Very high | 117 Ų | 117 | 48.1 Ų | 48.1 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.7 | -48.1 | -172.2 | -169.6 | 179.2 | -21.9 | 0 | 0 | 114.1 | Y650 V709 Q710 | Y650-Q706 HydrophobicContact CD1-CB 4.14Å; Y650-Q706 HydrophobicContact CD1-CG 3.9Å; Y650-Q706 HydrophobicContact CD2-CB 3.61Å; Y650-Q706 HydrophobicContact CD2-CG 4.3Å; Y650-Q706 HydrophobicContact CE1-CB 4.23Å; Y650-Q706 HydrophobicContact CE1-CG 3.95Å; Y650-Q706 HydrophobicContact CE2-CB 3.75Å; Y650-Q706 HydrophobicContact CE2-CG 4.38Å; Y650-Q706 HydrophobicContact CG-CB 3.84Å; Y650-Q706 HydrophobicContact CG-CG 4.09Å; Y650-Q706 VanDerWaalsContact CZ-OE1 3.27Å; Y650-Q706 PolarHBondContact OH-OE1 3.47Å; Q706-V709 PolarHBondContact O-N 2.9Å; Q706-Q710 PolarHBondContact O-N 3.24Å |
| 707 | V | 90.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 71% | 0.709 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.4 | -45.6 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | P705 Q710 S711 | P705-V707 PolarHBondContact O-N 2.92Å; V707-Q710 PolarHBondContact O-N 2.67Å; V707-S711 PolarHBondContact O-N 3.27Å |
| 708 | N | 92.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.9 | -61.1 | 57.9 | 0 | 0 | 0 | 111.8 | T679 T681 P705 Q710 S711 A712 | T679-N708 VanDerWaalsContact O-CB 3.27Å; T679-N708 WeakPolarHBondContact O-CB 3.47Å; T679-N708 PolarHBondContact O-ND2 2.81Å; T681-N708 VanDerWaalsContact CG2-C 3.45Å; T681-N708 HydrophobicContact CG2-CB 3.69Å; T681-N708 WeakPolarHBondContact CG2-O 3.28Å; P705-N708 HydrophobicContact CB-CB 4.17Å; P705-N708 HydrophobicContact CG-CB 4.28Å; P705-N708 WeakPolarHBondContact O-CB 3.5Å; P705-N708 PolarHBondContact O-N 3.43Å; P705-N708 VanDerWaalsContact O-N 3.15Å; N708-Q710 VanDerWaalsContact C-N 3.34Å; N708-S711 PolarHBondContact O-N 3.34Å; N708-A712 WeakPolarHBondContact O-CB 3.42Å; N708-A712 PolarHBondContact O-N 2.73Å |
| 709 | V | 93.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | R652 T681 I702 G704 P705 Q706 A713 | R652-V709 HydrophobicContact CB-CG1 3.52Å; T681-V709 HydrophobicContact CG2-CG2 4.09Å; I702-V709 HydrophobicContact CB-CG1 4.36Å; I702-V709 HydrophobicContact CG2-CB 4.32Å; I702-V709 HydrophobicContact CG2-CG1 4.05Å; I702-V709 HydrophobicContact CG2-CG2 4.2Å; G704-V709 VanDerWaalsContact C-CG2 3.49Å; G704-V709 WeakPolarHBondContact O-CG2 3.41Å; P705-V709 WeakPolarHBondContact O-CB 3.25Å; P705-V709 VanDerWaalsContact O-CG2 3.3Å; P705-V709 WeakPolarHBondContact O-CG2 3.19Å; P705-V709 PolarHBondContact O-N 2.82Å; Q706-V709 PolarHBondContact O-N 2.9Å; V709-A713 WeakPolarHBondContact O-CB 3.21Å; V709-A713 PolarHBondContact O-N 3.25Å; V709-A713 VanDerWaalsContact O-N 3.07Å |
| 710 | Q | 93.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68 | -48.7 | 174.7 | -168.9 | 55.9 | 46.1 | 0 | 0 | 111 | R652 Q706 V707 N708 A712 A713 D714 | R652-Q710 VanDerWaalsContact NH1-NE2 3.15Å; Q706-Q710 PolarHBondContact O-N 3.24Å; V707-Q710 PolarHBondContact O-N 2.67Å; N708-Q710 VanDerWaalsContact C-N 3.34Å; Q710-A712 VanDerWaalsContact C-N 3.33Å; Q710-A712 PolarHBondContact O-N 3.04Å; Q710-A713 WeakPolarHBondContact O-CA 3.44Å; Q710-A713 WeakPolarHBondContact O-CB 3.35Å; Q710-A713 PolarHBondContact O-N 3.36Å; Q710-D714 PolarHBondContact NE2-OD1 3.28Å; Q710-D714 PolarHBondContact O-N 2.94Å |
| 711 | S | 93.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | V707 N708 A713 D714 V715 | V707-S711 PolarHBondContact O-N 3.27Å; N708-S711 PolarHBondContact O-N 3.34Å; S711-A713 VanDerWaalsContact C-N 3.34Å; S711-A713 PolarHBondContact O-N 3.12Å; S711-D714 PolarHBondContact O-N 3.11Å; S711-V715 WeakPolarHBondContact O-CG2 3.45Å; S711-V715 PolarHBondContact O-N 3.38Å |
| 712 | A | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T679 T681 I702 N708 Q710 I716 | T679-A712 HydrophobicContact CG2-CB 3.77Å; T681-A712 HydrophobicContact CG2-CB 4.13Å; I702-A712 HydrophobicContact CD1-CB 4.17Å; I702-A712 HydrophobicContact CG2-CB 3.81Å; N708-A712 WeakPolarHBondContact O-CB 3.42Å; N708-A712 PolarHBondContact O-N 2.73Å; Q710-A712 VanDerWaalsContact C-N 3.33Å; Q710-A712 PolarHBondContact O-N 3.04Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.42Å |
| 713 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R652 I654 I702 V709 Q710 S711 V715 I716 E717 | R652-A713 VanDerWaalsContact CD-CB 3.48Å; R652-A713 HydrophobicContact CG-CB 4.3Å; R652-A713 VanDerWaalsContact NE-CB 3.3Å; I654-A713 HydrophobicContact CD1-CB 3.63Å; I702-A713 HydrophobicContact CD1-CB 3.98Å; V709-A713 WeakPolarHBondContact O-CB 3.21Å; V709-A713 PolarHBondContact O-N 3.25Å; V709-A713 VanDerWaalsContact O-N 3.07Å; Q710-A713 WeakPolarHBondContact O-CA 3.44Å; Q710-A713 WeakPolarHBondContact O-CB 3.35Å; Q710-A713 PolarHBondContact O-N 3.36Å; S711-A713 VanDerWaalsContact C-N 3.34Å; S711-A713 PolarHBondContact O-N 3.12Å; A713-V715 VanDerWaalsContact C-N 3.27Å; A713-V715 PolarHBondContact O-N 3.08Å; A713-I716 PolarHBondContact O-N 2.78Å; A713-I716 VanDerWaalsContact O-N 3.08Å; A713-E717 WeakPolarHBondContact O-CB 3.29Å; A713-E717 WeakPolarHBondContact O-CG 3.47Å; A713-E717 PolarHBondContact O-N 3.27Å |
| 714 | D | 93.7 | Very high | 91.2 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.3 | -42.1 | -179.6 | -61 | -29.7 | 0 | 0 | 0 | 111 | Q710 S711 H718 | Q710-D714 PolarHBondContact NE2-OD1 3.28Å; Q710-D714 PolarHBondContact O-N 2.94Å; S711-D714 PolarHBondContact O-N 3.11Å; D714-H718 WeakPolarHBondContact O-CB 3.05Å; D714-H718 PolarHBondContact O-N 3.41Å |
| 715 | V | 93.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | L675 S711 A713 H718 I719 | L675-V715 HydrophobicContact CD2-CG1 3.69Å; S711-V715 WeakPolarHBondContact O-CG2 3.45Å; S711-V715 PolarHBondContact O-N 3.38Å; A713-V715 VanDerWaalsContact C-N 3.27Å; A713-V715 PolarHBondContact O-N 3.08Å; V715-H718 PolarHBondContact O-N 2.78Å; V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 WeakPolarHBondContact O-CD1 3.4Å; V715-I719 VanDerWaalsContact O-CG1 3.25Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.14Å |
| 716 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.5 | -38.3 | -180 | -74.4 | 169.1 | 0 | 0 | 0 | 111.7 | I654 V656 I664 I683 V700 I702 A712 A713 T720 | I654-I716 HydrophobicContact CD1-CG2 4.37Å; V656-I716 HydrophobicContact CG2-CG2 3.94Å; I664-I716 HydrophobicContact CD1-CG2 4.03Å; I664-I716 HydrophobicContact CG2-CG1 4.43Å; I683-I716 HydrophobicContact CD1-CD1 4.32Å; I683-I716 HydrophobicContact CG2-CD1 4.23Å; V700-I716 HydrophobicContact CG1-CD1 4.27Å; I702-I716 HydrophobicContact CD1-CD1 3.97Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.42Å; A713-I716 PolarHBondContact O-N 2.78Å; A713-I716 VanDerWaalsContact O-N 3.08Å; I716-T720 WeakPolarHBondContact O-CB 3.32Å; I716-T720 PolarHBondContact O-N 2.76Å; I716-T720 PolarHBondContact O-OG1 2.91Å |
| 717 | E | 92.6 | Very high | 89.5 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 174.7 | -71.5 | 169.3 | -147.7 | 0 | 0 | 110.3 | R652 I654 A713 T720 A721 | R652-E717 IonicContact CZ-OE1 2.7Å; R652-E717 IonicContact NE-OE1 3.96Å; R652-E717 PolarHBondContact NE-OE1 2.86Å; R652-E717 VanDerWaalsContact NH2-CD 3.32Å; R652-E717 IonicContact NH2-OE1 3.96Å; R652-E717 PolarHBondContact NH2-OE1 2.89Å; R652-E717 IonicContact NH2-OE2 3.72Å; R652-E717 PolarHBondContact NH2-OE2 2.86Å; R652-E717 VanDerWaalsContact NH2-OE2 3.15Å; I654-E717 HydrophobicContact CD1-CG 4.28Å; I654-E717 WeakPolarHBondContact CD1-OE1 3.26Å; I654-E717 HydrophobicContact CG2-CG 4.12Å; A713-E717 WeakPolarHBondContact O-CB 3.29Å; A713-E717 WeakPolarHBondContact O-CG 3.47Å; A713-E717 PolarHBondContact O-N 3.27Å; E717-T720 WeakPolarHBondContact O-CB 3.29Å; E717-T720 PolarHBondContact O-N 3.38Å; E717-A721 PolarHBondContact O-N 3.12Å |
| 718 | H | 92.1 | Very high | 88.6 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 174.7 | -164.3 | 117.5 | 0 | 0 | 0 | 113.1 | D714 V715 T720 A721 I722 | D714-H718 WeakPolarHBondContact O-CB 3.05Å; D714-H718 PolarHBondContact O-N 3.41Å; V715-H718 PolarHBondContact O-N 2.78Å; H718-T720 PolarHBondContact O-N 3.12Å; H718-A721 PolarHBondContact O-N 3.07Å; H718-I722 PolarHBondContact O-N 3.18Å |
| 719 | I | 91 | Very high | 87.1 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 174 | -70 | 163.9 | 0 | 0 | 0 | 110.6 | V660 I663 I664 V715 E723 | V660-I719 HydrophobicContact CG1-CG2 3.87Å; I663-I719 HydrophobicContact CG2-CG2 4.23Å; I664-I719 HydrophobicContact CG1-CG2 4.04Å; V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 WeakPolarHBondContact O-CD1 3.4Å; V715-I719 VanDerWaalsContact O-CG1 3.25Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.14Å; I719-E723 PolarHBondContact O-N 2.91Å |
| 720 | T | 90.2 | Very high | 85 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | P657 I716 E717 H718 H724 | P657-T720 HydrophobicContact CG-CG2 4.19Å; I716-T720 WeakPolarHBondContact O-CB 3.32Å; I716-T720 PolarHBondContact O-N 2.76Å; I716-T720 PolarHBondContact O-OG1 2.91Å; E717-T720 WeakPolarHBondContact O-CB 3.29Å; E717-T720 PolarHBondContact O-N 3.38Å; H718-T720 PolarHBondContact O-N 3.12Å; T720-H724 PolarHBondContact O-N 3.4Å; T720-H724 VanDerWaalsContact O-N 3.11Å |
| 721 | A | 89.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E717 H718 E723 H724 M725 | E717-A721 PolarHBondContact O-N 3.12Å; H718-A721 PolarHBondContact O-N 3.07Å; A721-E723 VanDerWaalsContact C-N 3.32Å; A721-E723 PolarHBondContact O-N 3.34Å; A721-H724 WeakPolarHBondContact O-CB 3.44Å; A721-H724 PolarHBondContact O-N 3.36Å; A721-H724 VanDerWaalsContact O-N 3.08Å; A721-M725 PolarHBondContact O-N 2.7Å; A721-M725 VanDerWaalsContact O-N 3.12Å |
| 722 | I | 88.2 | Confident | 79.5 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55.8 | -47.7 | 176.4 | -70.9 | 178.1 | 0 | 0 | 0 | 110.9 | H718 H724 M725 K726 | H718-I722 PolarHBondContact O-N 3.18Å; I722-H724 VanDerWaalsContact C-N 3.26Å; I722-H724 PolarHBondContact O-N 3.19Å; I722-M725 HydrophobicContact CG1-CE 4.36Å; I722-M725 PolarHBondContact O-N 3.25Å; I722-K726 VanDerWaalsContact O-CB 3.29Å; I722-K726 WeakPolarHBondContact O-CB 3.41Å; I722-K726 PolarHBondContact O-N 2.94Å |
| 723 | E | 85.1 | Confident | 76.6 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 11% | 0.112 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.3 | -15 | -179.8 | -84.3 | -72.2 | 139.1 | 0 | 0 | 114.1 | V660 I663 I719 A721 K726 R727 | V660-E723 HydrophobicContact CG2-CB 3.66Å; V660-E723 HydrophobicContact CG2-CG 4.34Å; I663-E723 HydrophobicContact CD1-CG 3.55Å; I663-E723 WeakPolarHBondContact CD1-OE1 3.19Å; I719-E723 PolarHBondContact O-N 2.91Å; A721-E723 VanDerWaalsContact C-N 3.32Å; A721-E723 PolarHBondContact O-N 3.34Å; E723-K726 WeakPolarHBondContact OE1-CD 3.47Å; E723-K726 WeakPolarHBondContact OE1-CE 3.49Å; E723-K726 IonicContact OE1-NZ 3.92Å; E723-K726 PolarHBondContact OE1-NZ 3.12Å; E723-R727 WeakPolarHBondContact O-CG 3.45Å; E723-R727 PolarHBondContact O-NE 3.4Å; E723-R727 PolarHBondContact O-NH1 3.45Å; E723-R727 VanDerWaalsContact O-NH1 3.12Å; E723-R727 IonicContact OE2-CZ 3.21Å; E723-R727 IonicContact OE2-NE 3.61Å; E723-R727 IonicContact OE2-NH2 2.78Å; E723-R727 PolarHBondContact OE2-NH2 3.12Å |
| 724 | H | 83.6 | Confident | 73.4 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.3 | -54.2 | 168.7 | -148.7 | -82.6 | 0 | 0 | 0 | 110.6 | T720 A721 I722 K726 R727 E728 | T720-H724 PolarHBondContact O-N 3.4Å; T720-H724 VanDerWaalsContact O-N 3.11Å; A721-H724 WeakPolarHBondContact O-CB 3.44Å; A721-H724 PolarHBondContact O-N 3.36Å; A721-H724 VanDerWaalsContact O-N 3.08Å; I722-H724 VanDerWaalsContact C-N 3.26Å; I722-H724 PolarHBondContact O-N 3.19Å; H724-K726 PolarHBondContact O-N 2.94Å; H724-R727 PolarHBondContact O-N 2.72Å; H724-E728 IonicContact CE1-OE1 3.34Å; H724-E728 PolarHBondContact CE1-OE1 2.83Å; H724-E728 IonicContact CG-OE1 3.39Å; H724-E728 IonicContact ND1-OE1 3.61Å; H724-E728 PolarHBondContact ND1-OE1 3.07Å; H724-E728 PolarHBondContact O-N 3.44Å |
| 725 | M | 82.1 | Confident | 70.5 | Confident | 96 Ų | 96 | 95.5 Ų | 95.5 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.7 | -37.5 | 178.1 | -65.3 | -174.4 | -70 | 0 | 0 | 112.4 | A721 I722 R727 E728 S729 | A721-M725 PolarHBondContact O-N 2.7Å; A721-M725 VanDerWaalsContact O-N 3.12Å; I722-M725 HydrophobicContact CG1-CE 4.36Å; I722-M725 PolarHBondContact O-N 3.25Å; M725-R727 VanDerWaalsContact C-N 3.27Å; M725-R727 PolarHBondContact O-N 3.21Å; M725-E728 PolarHBondContact O-N 3.13Å; M725-S729 PolarHBondContact O-N 2.56Å; M725-S729 VanDerWaalsContact O-N 3.12Å; M725-S729 PolarHBondContact O-OG 2.82Å |
| 726 | K | 79.9 | Confident | 67.6 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -19.5 | 177.4 | -177.7 | 174.1 | 162.4 | -164.9 | 0 | 114.5 | I722 E723 H724 S729 | I722-K726 VanDerWaalsContact O-CB 3.29Å; I722-K726 WeakPolarHBondContact O-CB 3.41Å; I722-K726 PolarHBondContact O-N 2.94Å; E723-K726 WeakPolarHBondContact OE1-CD 3.47Å; E723-K726 WeakPolarHBondContact OE1-CE 3.49Å; E723-K726 IonicContact OE1-NZ 3.92Å; E723-K726 PolarHBondContact OE1-NZ 3.12Å; H724-K726 PolarHBondContact O-N 2.94Å; K726-S729 WeakPolarHBondContact CA-OG 3.49Å |
| 727 | R | 74.1 | Confident | 64.9 | Low | 99 Ų | 99 | 104.7 Ų | 104.7 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -90.6 | -37.9 | 175.2 | -68.3 | 175.1 | -161.2 | 121.5 | 9.4 | 111.8 | S659 E723 H724 M725 S729 G730 | S659-R727 PolarHBondContact O-NH2 3.27Å; S659-R727 VanDerWaalsContact OG-CZ 3.28Å; S659-R727 PolarHBondContact OG-NH1 3.33Å; S659-R727 VanDerWaalsContact OG-NH1 3.12Å; S659-R727 PolarHBondContact OG-NH2 3.19Å; E723-R727 WeakPolarHBondContact O-CG 3.45Å; E723-R727 PolarHBondContact O-NE 3.4Å; E723-R727 PolarHBondContact O-NH1 3.45Å; E723-R727 VanDerWaalsContact O-NH1 3.12Å; E723-R727 IonicContact OE2-CZ 3.21Å; E723-R727 IonicContact OE2-NE 3.61Å; E723-R727 IonicContact OE2-NH2 2.78Å; E723-R727 PolarHBondContact OE2-NH2 3.12Å; H724-R727 PolarHBondContact O-N 2.72Å; M725-R727 VanDerWaalsContact C-N 3.27Å; M725-R727 PolarHBondContact O-N 3.21Å; R727-S729 VanDerWaalsContact C-N 3.3Å; R727-S729 PolarHBondContact O-N 3.22Å; R727-G730 PolarHBondContact O-N 2.97Å |
| 728 | E | 71.8 | Confident | 62 | Low | 131 Ų | 131 | 107.5 Ų | 107.5 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62 | -37.5 | 174.2 | -68.3 | 167.4 | -165.5 | 0 | 0 | 112.2 | H724 M725 G730 | H724-E728 IonicContact CE1-OE1 3.34Å; H724-E728 PolarHBondContact CE1-OE1 2.83Å; H724-E728 IonicContact CG-OE1 3.39Å; H724-E728 IonicContact ND1-OE1 3.61Å; H724-E728 PolarHBondContact ND1-OE1 3.07Å; H724-E728 PolarHBondContact O-N 3.44Å; M725-E728 PolarHBondContact O-N 3.13Å; E728-G730 VanDerWaalsContact C-N 3.29Å; E728-G730 PolarHBondContact O-N 2.99Å |
| 729 | S | 61.2 | Low | 59.3 | Low | 78 Ų | 78 | 108.1 Ų | 108.1 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | 0.2 | 177.7 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | M725 K726 R727 S731 | M725-S729 PolarHBondContact O-N 2.56Å; M725-S729 VanDerWaalsContact O-N 3.12Å; M725-S729 PolarHBondContact O-OG 2.82Å; K726-S729 WeakPolarHBondContact CA-OG 3.49Å; R727-S729 VanDerWaalsContact C-N 3.3Å; R727-S729 PolarHBondContact O-N 3.22Å; S729-S731 PolarHBondContact O-N 3.21Å |
| 730 | G | 50.1 | Low | 56.7 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 10 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | R727 E728 | R727-G730 PolarHBondContact O-N 2.97Å; E728-G730 VanDerWaalsContact C-N 3.29Å; E728-G730 PolarHBondContact O-N 2.99Å |
| 731 | S | 37.1 | Very low | 54.4 | Low | 100 Ų | 100 | 117.8 Ų | 117.8 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -7.2 | -176.1 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | S729 | S729-S731 PolarHBondContact O-N 3.21Š|
| 732 | Y | 34 | Very low | 51.7 | Low | 212 Ų | 212 | 121.5 Ų | 121.5 | 83% | 0.831 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -128 | 164.6 | -178.9 | -91.2 | -91.6 | 0 | 0 | 0 | 114.2 | ||
| 733 | Q | 31.3 | Very low | 49.3 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 67% | 0.666 | S | S | * | * | trans | -61.1 | 156.5 | -167.8 | -78.9 | -80.9 | -21.7 | 0 | 0 | 115 | H735 | Q733-H735 PolarHBondContact O-N 3.16Å; Q733-H735 VanDerWaalsContact O-N 3.07Å | ||
| 734 | Q | 27.3 | Very low | 46.9 | Very low | 184 Ų | 184 | 128.4 Ų | 128.4 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -61.4 | 104.6 | -175.9 | -64.8 | 178.3 | -13.2 | 0 | 0 | 113.1 | ||||
| 735 | H | 33.8 | Very low | 44.4 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -135.8 | 137.1 | 160.1 | -101.6 | -99.5 | 0 | 0 | 0 | 110.7 | Q733 L737 | Q733-H735 PolarHBondContact O-N 3.16Å; Q733-H735 VanDerWaalsContact O-N 3.07Å; H735-L737 PolarHBondContact O-N 3.08Å | ||
| 736 | S | 31 | Very low | 42.3 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | trans | -75.5 | 109 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 737 | L | 37.1 | Very low | 40.3 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | trans | -102.7 | 98.1 | 173.6 | -73.4 | 173.3 | 0 | 0 | 0 | 110.5 | H735 L739 | H735-L737 PolarHBondContact O-N 3.08Å; L737-L739 PolarHBondContact O-N 3.21Å | ||
| 738 | T | 32.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 119.9 | 159.9 | -42.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 739 | L | 34.8 | Very low | 36.7 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | -102.7 | 102.4 | -176.4 | -154.4 | 77.7 | 0 | 0 | 0 | 111.4 | L737 | L737-L739 PolarHBondContact O-N 3.21Š| ||
| 740 | S | 36.9 | Very low | 35.5 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 143.6 | 174.3 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 741 | L | 41.4 | Very low | 34.6 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.3 | 168.1 | -86.8 | 71.9 | 0 | 0 | 0 | 110.8 | G743 | L741-G743 PolarHBondContact O-N 3.49Š|
| 742 | P | 32.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.2 | -178 | 30.3 | -33.9 | 0 | 0 | 0 | 112 | ||
| 743 | G | 37.2 | Very low | 34.3 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L741 | L741-G743 PolarHBondContact O-N 3.49Š|
| 744 | N | 34.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.8 | 175.5 | -163.9 | 12.1 | 0 | 0 | 0 | 110.8 | ||
| 745 | G | 32.1 | Very low | 34.6 | Very low | 57 Ų | 57 | 126.3 Ų | 126.3 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -117 | 171 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 746 | S | 38.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -170.4 | 121.9 | 157.7 | -82.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 747 | N | 36.5 | Very low | 34.3 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 59.8 | 143.4 | 148.8 | -56.1 | -14.7 | 0 | 0 | 0 | 119.6 | ||||
| 748 | S | 38.4 | Very low | 34.2 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | -167.3 | 144.1 | -3.6 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 749 | N | 32.8 | Very low | 34.2 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 64.2 | 152.3 | 162.1 | -48.7 | -22.6 | 0 | 0 | 0 | 116.1 | ||||
| 750 | T | 35.1 | Very low | 33.9 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | cis | -151.7 | 131.3 | 20.3 | -44.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 751 | V | 30.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | 36.1 | 120.8 | 149.5 | -174 | 0 | 0 | 0 | 0 | 121 | ||||
| 752 | V | 34.2 | Very low | 33.1 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | -169.3 | 126.8 | 108.4 | 156.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 753 | H | 30.4 | Very low | 33.2 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 8 | 132.2 | 161.8 | -68.5 | -104.3 | 0 | 0 | 0 | 122.6 | ||||
| 754 | G | 35 | Very low | 32.9 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 177.4 | 55.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 755 | S | 31 | Very low | 32.7 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 134.9 | -165.7 | -45.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 756 | C | 29.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -167.4 | 120.5 | 144.8 | -119.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 757 | S | 28.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -135.5 | 130.9 | -175.4 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 758 | V | 35 | Very low | 31.9 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -138.3 | 128.8 | 162.4 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 759 | S | 33.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -53.9 | 167.2 | 168.1 | 34.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 760 | G | 29 | Very low | 31.5 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | 135.5 | 119.2 | 8.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 761 | G | 32 | Very low | 31.4 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -160.3 | 94.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 762 | Q | 28.8 | Very low | 31.2 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -105.1 | 119.3 | -175 | 169 | -170.6 | -7.5 | 0 | 0 | 109.7 | ||||
| 763 | L | 34 | Very low | 31.1 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -148.5 | 124.8 | 155.4 | -83.4 | -171.2 | 0 | 0 | 0 | 112.5 | ||||
| 764 | N | 32.1 | Very low | 30.9 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 57.2 | 111 | 144.9 | -58.6 | 3.6 | 0 | 0 | 0 | 120.3 | ||||
| 765 | S | 28.8 | Very low | 30.6 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -53.3 | 157.4 | 142.7 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 766 | D | 30.4 | Very low | 30.5 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | 173.2 | 107.5 | 111.3 | -84.1 | -8 | 0 | 0 | 0 | 110.3 | |||||
| 767 | Y | 32.2 | Very low | 30.5 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 93% | 0.929 | 79% | 0.792 | S | S | * | * | trans | -165.9 | 87.2 | 138.6 | -122.5 | -88.4 | 0 | 0 | 0 | 111.4 | ||||
| 768 | F | 29.1 | Very low | 30.5 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -34.3 | 151.8 | 143.8 | -101.6 | -158.1 | 0 | 0 | 0 | 111.3 | ||||
| 769 | I | 33.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -170.9 | 166 | 41.6 | -126.1 | 154.2 | 0 | 0 | 0 | 107 | ||||
| 770 | Q | 28.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -176.9 | 99.9 | -36 | 176.4 | -179.3 | -44.7 | 0 | 0 | 108.2 | ||||
| 771 | S | 33 | Very low | 30.2 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -148 | 113.3 | 166.1 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 772 | G | 27.4 | Very low | 30.1 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 123.5 | 25.2 | 0 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 773 | I | 32.1 | Very low | 30 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 65% | 0.651 | 77% | 0.77 | S | S | * | * | trans | -132.4 | 119.6 | 164.2 | -40.1 | 177 | 0 | 0 | 0 | 109 | Y775 | I773-Y775 HydrophobicContact CB-CE2 4.15Å; I773-Y775 HydrophobicContact CG2-CD2 3.99Å; I773-Y775 HydrophobicContact CG2-CE1 4.25Å; I773-Y775 HydrophobicContact CG2-CE2 3.33Å; I773-Y775 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 774 | S | 26.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -91.9 | 127.9 | 175 | -56.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 775 | Y | 29.6 | Very low | 30 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -130.7 | 127.1 | 168.2 | -68.7 | -64 | 0 | 0 | 0 | 110.3 | I773 | I773-Y775 HydrophobicContact CB-CE2 4.15Å; I773-Y775 HydrophobicContact CG2-CD2 3.99Å; I773-Y775 HydrophobicContact CG2-CE1 4.25Å; I773-Y775 HydrophobicContact CG2-CE2 3.33Å; I773-Y775 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 776 | P | 28.8 | Very low | 30.2 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 136.4 | 175.2 | 32.1 | -32.9 | 0 | 0 | 0 | 110.4 | T778 | P776-T778 PolarHBondContact O-N 2.73Š| ||
| 777 | F | 28.8 | Very low | 30.3 | Very low | 211 Ų | 211 | 139 Ų | 139 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 103.3 | 174.1 | -136.8 | -85.1 | 0 | 0 | 0 | 109.8 | S779 | F777-S779 PolarHBondContact O-N 2.78Š| ||
| 778 | T | 28.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -79.3 | 99.4 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | P776 S780 | P776-T778 PolarHBondContact O-N 2.73Å; T778-S780 PolarHBondContact O-N 2.96Å; T778-S780 VanDerWaalsContact O-N 3.12Å | ||
| 779 | S | 30.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -78 | 83.8 | 168.6 | 42 | 0 | 0 | 0 | 0 | 111.2 | F777 T781 | F777-S779 PolarHBondContact O-N 2.78Å; S779-T781 PolarHBondContact O-N 2.66Å; S779-T781 VanDerWaalsContact O-N 3.07Å | ||
| 780 | S | 29.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -82.2 | 77.2 | -172.3 | -61 | 0 | 0 | 0 | 0 | 114.8 | T778 | T778-S780 PolarHBondContact O-N 2.96Å; T778-S780 VanDerWaalsContact O-N 3.12Å | ||
| 781 | T | 31.2 | Very low | 30.4 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -144.1 | 94 | 156.6 | -27.4 | 0 | 0 | 0 | 0 | 112.8 | S779 | S779-T781 PolarHBondContact O-N 2.66Å; S779-T781 VanDerWaalsContact O-N 3.07Å |
| 782 | S | 30.4 | Very low | 30.1 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 34.5 | 99.6 | 160.8 | 61.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 783 | C | 26 | Very low | 30.2 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -87.8 | 122.7 | 159.5 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 784 | I | 35.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -109.2 | 151.6 | 160.9 | -62.7 | -179.1 | 0 | 0 | 0 | 108 | ||||
| 785 | K | 30.6 | Very low | 30.1 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -122.8 | 122.6 | -140.3 | -175.1 | 180 | -179.1 | 179.9 | 0 | 115.3 | ||||
| 786 | G | 32.8 | Very low | 30.2 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 92.7 | 164.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 787 | N | 32.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | cis | -165.4 | 147.9 | -11.8 | -137.4 | 9.6 | 0 | 0 | 0 | 112.1 | ||||
| 788 | Y | 30.7 | Very low | 30.7 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 67.8 | 160.3 | 161.2 | -73.3 | -55.3 | 0 | 0 | 0 | 119.7 | ||||
| 789 | P | 33.6 | Very low | 30.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -140 | -170.9 | -134.1 | 45.7 | -26.2 | 0 | 0 | 0 | 117 | ||||
| 790 | E | 30.5 | Very low | 31.2 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 67 | 113.4 | 142.6 | -161.6 | 173.9 | 169.8 | 0 | 0 | 120.7 | ||||
| 791 | C | 29.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | -167.9 | 170 | 128.3 | -117.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 792 | Q | 27.1 | Very low | 31.5 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -111 | -172.4 | -167.2 | -58.6 | 178.1 | -8.2 | 0 | 0 | 114 | ||||
| 793 | S | 30.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 93.7 | 87.5 | 158.1 | -170.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 794 | T | 28.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 19.8 | 128.6 | 125.5 | 46.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 795 | C | 27.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | 170.3 | 166.2 | 120.1 | -92.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 796 | P | 31.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -120.4 | 160 | -149.3 | 42 | -33 | 0 | 0 | 0 | 119 | ||||
| 797 | A | 33.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 50.9 | 128.4 | 142 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 798 | S | 34.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | -171.6 | 165.6 | 125.9 | 41.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 799 | N | 32.7 | Very low | 32.6 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 146.7 | -168.1 | -58.5 | -62.3 | 0 | 0 | 0 | 115 | ||||
| 800 | T | 37.1 | Very low | 32.6 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | 178.6 | 152 | 103 | 29.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 801 | G | 32.6 | Very low | 33 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -124.7 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 802 | I | 33.6 | Very low | 33.3 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -166.6 | 152.3 | 153 | -100.3 | 149.9 | 0 | 0 | 0 | 108.5 | ||||
| 803 | S | 33.9 | Very low | 34 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -72.6 | 162.3 | -178.5 | 54 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 804 | C | 31.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | -169.3 | 172.8 | 70.8 | -104.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 805 | P | 39.4 | Very low | 34.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -103.8 | 177.1 | -164 | 41.2 | -37.5 | 0 | 0 | 0 | 115 | ||||
| 806 | I | 35.1 | Very low | 35 | Very low | 174 Ų | 174 | 123.2 Ų | 123.2 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | trans | -157.2 | 161.2 | 141.6 | -107.5 | 155.7 | 0 | 0 | 0 | 111.1 | ||||
| 807 | S | 32.8 | Very low | 35 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -92.5 | 157 | -163.2 | 55.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 808 | M | 33.2 | Very low | 34.9 | Very low | 196 Ų | 196 | 126 Ų | 126 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | trans | -128.5 | 135.9 | 143.7 | -89.7 | -69.9 | -172.3 | 0 | 0 | 109 | ||||
| 809 | I | 37.1 | Very low | 34.8 | Very low | 146 Ų | 146 | 127 Ų | 127 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -124.6 | 135.9 | -176.9 | -69 | 171.5 | 0 | 0 | 0 | 109.3 | ||||
| 810 | G | 33.5 | Very low | 34.8 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -136.8 | 100.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 811 | S | 37.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 146.9 | 175 | -63 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 812 | L | 36.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | 56.7 | 149.1 | 63.2 | -74.9 | 155.3 | 0 | 0 | 0 | 112.8 | |||||
| 813 | P | 42.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -139.2 | -175.2 | 18.6 | 43.7 | -26.5 | 0 | 0 | 0 | 116.3 | ||||
| 814 | L | 35.1 | Very low | 34.3 | Very low | 170 Ų | 170 | 128 Ų | 128 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -150.2 | 60.4 | 149.8 | -122.9 | 164.8 | 0 | 0 | 0 | 113.6 | ||||
| 815 | T | 37.7 | Very low | 34.2 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | trans | 32.9 | 96.5 | 139.5 | -45.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 816 | T | 34.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | 32.8 | 140.6 | 133.8 | 63.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 817 | C | 31.7 | Very low | 33.7 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 91% | 0.905 | 75% | 0.752 | S | S | * | * | -134 | 123.2 | 129.1 | -81.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 818 | I | 30.3 | Very low | 33.7 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -140.5 | 136.3 | 174.1 | -63.9 | 175.6 | 0 | 0 | 0 | 107.5 | ||||
| 819 | T | 33.5 | Very low | 33.7 | Very low | 145 Ų | 145 | 122 Ų | 122 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -135.2 | 122.4 | 156.3 | -54 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 820 | T | 32.2 | Very low | 33.5 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 55% | 0.546 | 76% | 0.755 | S | S | . | * | trans | -104.3 | 151.5 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 821 | I | 32.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -125.7 | 120.3 | 154.1 | -57.5 | -177.7 | 0 | 0 | 0 | 108.2 | ||||
| 822 | N | 30.5 | Very low | 33.6 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -117.1 | 148.6 | 177.7 | -88.2 | -13.6 | 0 | 0 | 0 | 109.4 | ||||
| 823 | T | 32.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -161.8 | 101.9 | 149.5 | 33.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 824 | T | 31.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | 64.9 | 108.7 | 90.3 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 825 | T | 29.2 | Very low | 33.3 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | 81.5 | 119.3 | 51.5 | 65 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 826 | T | 31.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 171 | 160.9 | 149.3 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 827 | S | 30.7 | Very low | 33.3 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 176 | 153 | -51.4 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 828 | S | 34.7 | Very low | 33.4 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 69.5 | 156.6 | 173.7 | 81.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 829 | G | 32.8 | Very low | 33.4 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 160.5 | 128.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 830 | G | 33 | Very low | 33.3 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 71.2 | 121.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 831 | N | 38.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -179.7 | 147.9 | 113.9 | -90 | -30.8 | 0 | 0 | 0 | 112 | |||||
| 832 | N | 34.4 | Very low | 32.9 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -89.4 | 147.5 | 177.8 | -60.7 | -40 | 0 | 0 | 0 | 111 | ||||
| 833 | N | 39.1 | Very low | 33 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -156.2 | 152.3 | 145.4 | -107.9 | -33.1 | 0 | 0 | 0 | 112 | ||||
| 834 | I | 32.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 127 Ų | 127 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 142.8 | -179.1 | -58 | 163.9 | 0 | 0 | 0 | 108.6 | ||||
| 835 | I | 34.9 | Very low | 32.8 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | trans | 176.9 | 148.7 | 135 | -91.9 | 158.6 | 0 | 0 | 0 | 111 | ||||
| 836 | T | 36 | Very low | 32.7 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -52.1 | 143.3 | -176.2 | 52.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 837 | G | 35 | Very low | 32.7 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -179.4 | 114.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 838 | L | 34.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 63.3 | 123.2 | 154.8 | -57.9 | 171.1 | 0 | 0 | 0 | 119.8 | ||||
| 839 | S | 30.2 | Very low | 32.7 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | -60.8 | 160 | 159.1 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 840 | F | 31 | Very low | 32.9 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | -169.1 | 118.4 | 113.5 | -104.5 | -71.7 | 0 | 0 | 0 | 113.6 | |||||
| 841 | V | 31.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | 39.9 | 125.4 | 142.9 | 176.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 842 | S | 26.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 133.5 | 155 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 843 | S | 31.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -155.7 | 151.4 | 166.1 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 844 | S | 30.6 | Very low | 32.6 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -87.2 | -167.5 | 160.9 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 845 | C | 28.6 | Very low | 32.7 | Very low | 113 Ų | 113 | 124 Ų | 124 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 77.8 | 145.8 | 165 | -46.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 846 | D | 28 | Very low | 32.7 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | cis | -161 | -174.9 | -19.8 | -135 | -55.6 | 0 | 0 | 0 | 111.9 | ||||
| 847 | A | 32 | Very low | 32.6 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -27.7 | 147.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 848 | A | 32.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 126 Ų | 126 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | -95.7 | 146.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 849 | A | 33.3 | Very low | 32.6 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -138 | 158.2 | -166 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 850 | S | 35.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -162.3 | 123.9 | 154.9 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 851 | V | 34.2 | Very low | 32.8 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 67.1 | 133 | 135.4 | 174.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 852 | S | 34.3 | Very low | 32.8 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -172.1 | 170.7 | -13.2 | -94.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 853 | R | 33.5 | Very low | 33 | Very low | 240 Ų | 240 | 116 Ų | 116 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | 80.8 | 143.6 | 168 | -68.2 | 179.1 | 167.2 | 170.1 | -4.8 | 117.8 | ||||
| 854 | S | 37.8 | Very low | 33.2 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -172.9 | 132.5 | -26.6 | 46 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 855 | G | 34.7 | Very low | 33.4 | Very low | 86 Ų | 86 | 114.9 Ų | 114.9 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 84.4 | 138.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 856 | G | 34.7 | Very low | 33.5 | Very low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | cis | 122.7 | 124.7 | 11.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 857 | R | 33.8 | Very low | 33.7 | Very low | 234 Ų | 234 | 114.4 Ų | 114.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | cis | -143.9 | 137 | 34.8 | -78.2 | 153.7 | 73.6 | 176.2 | 3.5 | 108.7 | ||||
| 858 | S | 34.6 | Very low | 33.7 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 45.5 | 128.7 | 85.8 | 80 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 859 | V | 35.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | cis | -144 | 143.6 | 22.2 | 176.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 860 | G | 31.1 | Very low | 33.5 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | 81.3 | 144.6 | 66.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 861 | A | 33.3 | Very low | 33.3 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | cis | -157.5 | -176.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 862 | S | 31.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -15.7 | 153.4 | 164 | 52.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 863 | G | 32.1 | Very low | 33.3 | Very low | 60 Ų | 60 | 124 Ų | 124 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | cis | 135.8 | 171.6 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 864 | S | 34.5 | Very low | 33.3 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 62 | 145.4 | -177.3 | 23.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 865 | G | 35.8 | Very low | 33.2 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 95.5 | 124 | 42.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 866 | D | 30.8 | Very low | 33.1 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | 172.6 | 172.5 | 66.5 | -96.2 | 28.4 | 0 | 0 | 0 | 107.5 | |||||
| 867 | T | 32.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | cis | -167.5 | 174.1 | -30.1 | -67.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 868 | L | 30.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 75 | 156.7 | 166.9 | -51 | 174.6 | 0 | 0 | 0 | 116.1 | ||||
| 869 | S | 32 | Very low | 33.2 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -136.8 | 150.6 | 1.4 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 870 | F | 29.3 | Very low | 33.7 | Very low | 200 Ų | 200 | 122.2 Ų | 122.2 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 152.9 | 156.6 | -77.7 | -110.8 | 0 | 0 | 0 | 110.1 | ||||
| 871 | Q | 31.4 | Very low | 33.9 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | -156.2 | 161 | 125 | -161.3 | 42.9 | 46.8 | 0 | 0 | 111.6 | |||||
| 872 | S | 31.9 | Very low | 34.4 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 58% | 0.58 | 76% | 0.761 | S | S | * | * | trans | -53.1 | 162.2 | 174.2 | 65 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 873 | S | 37.1 | Very low | 34.7 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | -160.6 | 167.7 | 63.3 | -72.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 874 | I | 34 | Very low | 35.2 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 136.6 | 174.5 | -65.3 | 159.2 | 0 | 0 | 0 | 109.8 | ||||
| 875 | D | 35.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -163.2 | 121.5 | 130.7 | -116.5 | -34.9 | 0 | 0 | 0 | 115.2 | ||||
| 876 | S | 32.9 | Very low | 36.2 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | 35.3 | 130.2 | 125.2 | -50.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 877 | L | 33.7 | Very low | 37 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 87.3 | 141.7 | 140.1 | -68.7 | 163 | 0 | 0 | 0 | 122.8 | ||||
| 878 | S | 34.5 | Very low | 37.5 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 75.1 | 133.2 | 153.4 | -67.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 879 | M | 36 | Very low | 37.9 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -80.4 | 151.9 | 170.8 | -65.5 | 179.7 | 169.3 | 0 | 0 | 112.5 | ||||
| 880 | P | 47.8 | Very low | 38.2 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -104.2 | 112.7 | 155.9 | 33.7 | -25.2 | 0 | 0 | 0 | 111.9 | ||||
| 881 | V | 35.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -89.4 | 113.3 | 164.4 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 882 | T | 42.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -141.9 | 97.2 | -179.5 | -41.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 883 | K | 38.1 | Very low | 39.6 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | 30.9 | 124.6 | 143.5 | -58.7 | -177.1 | 177.9 | -176 | 0 | 120.8 | ||||
| 884 | R | 42.3 | Very low | 39.7 | Very low | 238 Ų | 238 | 154.5 Ų | 154.5 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | 172.1 | 144.7 | 122 | -95 | 179.2 | -156.7 | 113 | -4.5 | 108.6 | |||||
| 885 | N | 49.4 | Very low | 40.1 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | cis | -154.3 | 160.6 | -17.6 | -140.1 | 54.1 | 0 | 0 | 0 | 107.8 | ||||
| 886 | E | 41.8 | Very low | 40.5 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -86.1 | 167.7 | -176.6 | -67.1 | 171.6 | 101.7 | 0 | 0 | 114.1 | ||||
| 887 | T | 47.9 | Very low | 41.1 | Very low | 134 Ų | 134 | 161.4 Ų | 161.4 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | 57.6 | 89.9 | 160.9 | 50.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 888 | N | 44.1 | Very low | 41.8 | Very low | 240 Ų | 240 | 161.5 Ų | 161.5 | 100% | 1.283 | 85% | 0.851 | S | S | * | * | -158.1 | 0 | 93.1 | -128.5 | -10 | 0 | 0 | 0 | 110.6 |
Retrieved 888 of 888 residues in 401.7 ms
(Link to these results)