| 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 | 47.2 | Very low | 50.8 | Low | 251 Ų | 251 | 148.7 Ų | 148.7 | 100% | 1.236 | 85% | 0.847 | S | S | * | * | 0 | 106.1 | 0 | -72.4 | -176.9 | 174.8 | 0 | 0 | 107.8 | |||||
| 2 | A | 43.5 | Very low | 50.2 | Low | 105 Ų | 105 | 149.3 Ų | 149.3 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | trans | -115.9 | 115.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | G4 | A2-G4 PolarHBondContact O-N 3.01Š| ||
| 3 | C | 49.7 | Very low | 49.4 | Very low | 136 Ų | 136 | 153 Ų | 153 | 92% | 0.919 | 85% | 0.847 | S | S | * | * | trans | -93 | 97.5 | -178.7 | -154.7 | 0 | 0 | 0 | 0 | 108.3 | A5 | C3-A5 PolarHBondContact O-N 3.26Š| ||
| 4 | G | 48.9 | Very low | 49.3 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -86.4 | 100.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | A2 T6 | A2-G4 PolarHBondContact O-N 3.01Å; G4-T6 PolarHBondContact O-N 3.49Å | ||
| 5 | A | 55.1 | Low | 49.1 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -86 | 97.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C3 L7 | C3-A5 PolarHBondContact O-N 3.26Å; A5-L7 PolarHBondContact O-N 3.49Å | ||
| 6 | T | 57 | Low | 49.3 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -81.4 | 102.6 | 167.3 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | G4 K8 | G4-T6 PolarHBondContact O-N 3.49Å; T6-K8 PolarHBondContact O-N 3.41Å | ||
| 7 | L | 49.1 | Very low | 49 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -69.5 | 111.6 | 174.1 | -136.4 | 115.6 | 0 | 0 | 0 | 109.3 | A5 R9 | A5-L7 PolarHBondContact O-N 3.49Å; L7-R9 PolarHBondContact O-N 3.5Å; L7-R9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | K | 56.8 | Low | 48.5 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -65.6 | 103.5 | 175.9 | -164.8 | -172.2 | -174.5 | -172.2 | 0 | 109.3 | T6 T10 | T6-K8 PolarHBondContact O-N 3.41Å; K8-T10 HydrophobicContact CG-CG2 4.37Å; K8-T10 PolarHBondContact O-N 3.35Å | ||
| 9 | R | 52.7 | Low | 48.6 | Very low | 236 Ų | 236 | 148.9 Ų | 148.9 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -86.2 | 101.2 | 161.8 | -77.6 | -167.7 | -71.1 | 119.7 | -3.4 | 108.5 | L7 | L7-R9 PolarHBondContact O-N 3.5Å; L7-R9 VanDerWaalsContact O-N 3.14Å | ||
| 10 | T | 49.9 | Very low | 48.3 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 55% | 0.552 | 80% | 0.796 | S | S | * | * | trans | -102.4 | 103.1 | 159 | 37.9 | 0 | 0 | 0 | 0 | 107.8 | K8 | K8-T10 HydrophobicContact CG-CG2 4.37Å; K8-T10 PolarHBondContact O-N 3.35Å | ||
| 11 | M | 49.1 | Very low | 47.9 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -163.7 | 88.1 | 151.5 | -90.6 | -65.3 | 93.9 | 0 | 0 | 104.5 | F13 | M11-F13 PolarHBondContact O-N 3.21Å; M11-F13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | D | 43.9 | Very low | 48.1 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -51 | 113.5 | 160.8 | -74 | -83.9 | 0 | 0 | 0 | 108 | D14 | D12-D14 PolarHBondContact O-N 3.33Š| ||
| 13 | F | 39.7 | Very low | 48.3 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -75 | 99.6 | 170.1 | -145.5 | -90.6 | 0 | 0 | 0 | 105.7 | M11 P15 | M11-F13 PolarHBondContact O-N 3.21Å; M11-F13 VanDerWaalsContact O-N 3.16Å; F13-P15 WeakPolarHBondContact O-CD 3.46Å; F13-P15 WeakPolarHBondContact O-CG 3.43Å | ||
| 14 | D | 47 | Very low | 48.6 | Very low | 115 Ų | 115 | 147 Ų | 147 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -66.3 | 109.2 | -179.8 | -173.7 | 10.3 | 0 | 0 | 0 | 110.8 | D12 L16 | D12-D14 PolarHBondContact O-N 3.33Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 2.79Å; D14-L16 WeakPolarHBondContact OD2-CD1 3.41Å; D14-L16 WeakPolarHBondContact OD2-CG 3.27Å | ||
| 15 | P | 46.3 | Very low | 48.7 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 73 | 173.3 | 5 | 18.1 | 0 | 0 | 0 | 108.5 | F13 M17 | F13-P15 WeakPolarHBondContact O-CD 3.46Å; F13-P15 WeakPolarHBondContact O-CG 3.43Å; P15-M17 PolarHBondContact O-N 3.1Å | ||
| 16 | L | 52.6 | Low | 48.5 | Very low | 131 Ų | 131 | 161.7 Ų | 161.7 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 82.1 | 164.5 | -72 | 176.8 | 0 | 0 | 0 | 109.3 | D14 | D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 2.79Å; D14-L16 WeakPolarHBondContact OD2-CD1 3.41Å; D14-L16 WeakPolarHBondContact OD2-CG 3.27Å |
| 17 | M | 45 | Very low | 47.7 | Very low | 160 Ų | 160 | 161 Ų | 161 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.9 | 58.9 | 136 | -89.1 | -46.7 | 123.4 | 0 | 0 | 109.2 | P15 Q19 | P15-M17 PolarHBondContact O-N 3.1Å; M17-Q19 PolarHBondContact O-N 3.14Å |
| 18 | N | 40 | Very low | 47.9 | Very low | 140 Ų | 140 | 159 Ų | 159 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -90 | 84 | 162.7 | -157.3 | 32.5 | 0 | 0 | 0 | 109.2 | ||||
| 19 | Q | 50 | Low | 47.4 | Very low | 189 Ų | 189 | 156.3 Ų | 156.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -96.7 | 70.1 | 159.8 | -78.1 | -151.7 | 70.8 | 0 | 0 | 109.7 | M17 | M17-Q19 PolarHBondContact O-N 3.14Š| ||
| 20 | A | 42.2 | Very low | 46.8 | Very low | 61 Ų | 61 | 154 Ų | 154 | 50% | 0.504 | 79% | 0.788 | S | S | . | * | trans | -151.7 | 81 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P22 | A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.36Å | ||
| 21 | S | 40.3 | Very low | 46.4 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -70.2 | 117.7 | 158.1 | -92.8 | 0 | 0 | 0 | 0 | 109.4 | K23 | S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 3.22Å | ||
| 22 | P | 51.6 | Low | 46.3 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -83 | 38.3 | -172.3 | -12.9 | 30.6 | 0 | 0 | 0 | 115.4 | A20 | A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 3.36Å | ||
| 23 | K | 48 | Very low | 46 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -139.9 | 111.6 | 179 | -100.8 | 152.8 | -176.7 | 171.8 | 0 | 112.5 | S21 | S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 3.22Å |
| 24 | R | 55.4 | Low | 46.3 | Very low | 242 Ų | 242 | 149 Ų | 149 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | 73.4 | 78.2 | 170.4 | -53.9 | 179.6 | 87.6 | -151.5 | 9.5 | 116.3 | ||||
| 25 | R | 50.8 | Low | 46.1 | Very low | 248 Ų | 248 | 148.1 Ų | 148.1 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -113.8 | 106.9 | 148.3 | -102.1 | -179.4 | 154.4 | -166.1 | -6.3 | 109.7 | C27 | R25-C27 PolarHBondContact O-N 3.07Š| ||
| 26 | R | 51.3 | Low | 45.9 | Very low | 228 Ų | 228 | 149.5 Ų | 149.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.2 | 173.7 | 173.5 | 178 | -92.1 | 169.5 | -10.6 | 108.9 | T28 | R26-T28 PolarHBondContact O-N 3.3Š|
| 27 | C | 40.3 | Very low | 45.6 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.8 | 170.3 | -70.1 | 0 | 0 | 0 | 0 | 109.3 | R25 | R25-C27 PolarHBondContact O-N 3.07Š|
| 28 | T | 54.1 | Low | 45.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 124 | 161.6 | 43.6 | 0 | 0 | 0 | 0 | 107.9 | R26 M30 | R26-T28 PolarHBondContact O-N 3.3Å; T28-M30 PolarHBondContact O-N 3.14Å |
| 29 | P | 44.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121 | 176.6 | 30.7 | -28.6 | 0 | 0 | 0 | 108.6 | ||
| 30 | M | 42 | Very low | 45.8 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 118.6 | 163.6 | -80.4 | -158 | 78 | 0 | 0 | 108.8 | T28 | T28-M30 PolarHBondContact O-N 3.14Š|
| 31 | S | 41.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 147.7 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 32 | Q | 45.8 | Very low | 46.8 | Very low | 200 Ų | 200 | 153.3 Ų | 153.3 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -53 | 135 | 171.2 | -65.8 | 167.5 | -14.1 | 0 | 0 | 111.5 | ||
| 33 | A | 37.8 | Very low | 46.7 | Very low | 95 Ų | 95 | 154.2 Ų | 154.2 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -132.9 | 108.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 34 | A | 45.8 | Very low | 47.1 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 125.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 35 | S | 42.8 | Very low | 47.2 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | -168.1 | 100.5 | 157.4 | 4.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 36 | T | 43 | Very low | 48 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 29.7 | 94.2 | 140.6 | 59 | 0 | 0 | 0 | 0 | 117 | S38 | T36-S38 PolarHBondContact O-N 3.36Š| ||
| 37 | S | 44.7 | Very low | 49 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 96.2 | 169.2 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 38 | S | 46.3 | Very low | 50.4 | Low | 81 Ų | 81 | 134.4 Ų | 134.4 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | trans | -75.3 | 141 | 159.8 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | T36 Q40 | T36-S38 PolarHBondContact O-N 3.36Å; S38-Q40 PolarHBondContact O-N 3.21Å | ||
| 39 | P | 46.4 | Very low | 50.9 | Low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -85.2 | 62.2 | -178.3 | 35.6 | -33.4 | 0 | 0 | 0 | 110.3 | ||
| 40 | Q | 47.5 | Very low | 51.4 | Low | 147 Ų | 147 | 136.7 Ų | 136.7 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -100.1 | 7.3 | 175.5 | -79 | -164.9 | -46.9 | 0 | 0 | 114.1 | S38 Y42 | S38-Q40 PolarHBondContact O-N 3.21Å; Q40-Y42 PolarHBondContact O-N 3.23Å | ||
| 41 | K | 50.2 | Low | 52.5 | Low | 196 Ų | 196 | 130.2 Ų | 130.2 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -73.5 | -2.4 | 178.6 | -65.4 | -165.7 | -177.4 | -178.3 | 0 | 114.9 | L43 | K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 3.44Å |
| 42 | Y | 53.4 | Low | 53.4 | Low | 217 Ų | 217 | 132.2 Ų | 132.2 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -77.2 | -7.1 | 175.9 | -83.1 | -83 | 0 | 0 | 0 | 114.7 | Q40 | Q40-Y42 PolarHBondContact O-N 3.23Š|
| 43 | L | 49.7 | Very low | 54.1 | Low | 149 Ų | 149 | 129.5 Ų | 129.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -91.5 | 2.6 | 176 | -72.1 | 172.5 | 0 | 0 | 0 | 114.1 | K41 M45 | K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 3.44Å; L43-M45 PolarHBondContact O-N 3.13Å; L43-M45 VanDerWaalsContact O-N 3.17Å |
| 44 | R | 55.2 | Low | 55.3 | Low | 160 Ų | 160 | 128.9 Ų | 128.9 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | trans | -81.5 | 102.4 | 177.2 | -153.5 | -84.8 | 172.4 | 132.2 | -25.4 | 108.1 | E46 | R44-E46 VanDerWaalsContact CD-CB 3.42Å; R44-E46 VanDerWaalsContact CZ-CD 3.47Å; R44-E46 IonicContact CZ-OE1 3.14Å; R44-E46 IonicContact CZ-OE2 3.91Å; R44-E46 IonicContact NH1-OE1 2.71Å; R44-E46 PolarHBondContact NH1-OE1 3.37Å; R44-E46 IonicContact NH1-OE2 2.92Å; R44-E46 PolarHBondContact NH1-OE2 2.99Å; R44-E46 IonicContact NH2-OE1 2.85Å; R44-E46 PolarHBondContact NH2-OE1 3.16Å; R44-E46 PolarHBondContact O-N 3.3Å | ||
| 45 | M | 59.3 | Low | 56.1 | Low | 176 Ų | 176 | 129.1 Ų | 129.1 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -63.6 | 71 | 164.2 | -68.5 | -82.7 | 95 | 0 | 0 | 109.4 | L43 | L43-M45 PolarHBondContact O-N 3.13Å; L43-M45 VanDerWaalsContact O-N 3.17Å | ||
| 46 | E | 67.8 | Low | 57.3 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 50% | 0.5 | 72% | 0.717 | S | S | . | * | trans | -91.5 | 129.3 | 167.3 | 177 | 143.4 | -102.1 | 0 | 0 | 109.6 | R44 S48 | R44-E46 VanDerWaalsContact CD-CB 3.42Å; R44-E46 VanDerWaalsContact CZ-CD 3.47Å; R44-E46 IonicContact CZ-OE1 3.14Å; R44-E46 IonicContact CZ-OE2 3.91Å; R44-E46 IonicContact NH1-OE1 2.71Å; R44-E46 PolarHBondContact NH1-OE1 3.37Å; R44-E46 IonicContact NH1-OE2 2.92Å; R44-E46 PolarHBondContact NH1-OE2 2.99Å; R44-E46 IonicContact NH2-OE1 2.85Å; R44-E46 PolarHBondContact NH2-OE1 3.16Å; R44-E46 PolarHBondContact O-N 3.3Å; E46-S48 PolarHBondContact O-N 3.5Å | ||
| 47 | P | 70.3 | Confident | 59 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -56.2 | 131.8 | 162.5 | 24.8 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 48 | S | 71.7 | Confident | 61 | Low | 72 Ų | 72 | 129 Ų | 129 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | trans | -35.6 | 132.6 | -179.5 | 169.8 | 0 | 0 | 0 | 0 | 114.4 | E46 F50 | E46-S48 PolarHBondContact O-N 3.5Å; S48-F50 CarbonylContact O-C 3.45Å; S48-F50 PolarHBondContact O-N 3.39Å; S48-F50 PolarHBondContact OG-N 3.18Å; S48-F50 PolarHBondContact OG-O 3.04Å | ||
| 49 | P | 63.3 | Low | 62.8 | Low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -67.3 | -15.4 | 176.2 | 28 | -33.9 | 0 | 0 | 0 | 113 | G51 | P49-G51 PolarHBondContact O-N 3.5Š|
| 50 | F | 55.6 | Low | 64.8 | Low | 171 Ų | 171 | 132.5 Ų | 132.5 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -87.6 | 89.4 | 160.5 | -55.6 | -82.4 | 0 | 0 | 0 | 106.9 | S48 | S48-F50 CarbonylContact O-C 3.45Å; S48-F50 PolarHBondContact O-N 3.39Å; S48-F50 PolarHBondContact OG-N 3.18Å; S48-F50 PolarHBondContact OG-O 3.04Å |
| 51 | G | 65.1 | Low | 66.8 | Low | 50 Ų | 50 | 130 Ų | 130 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | trans | -58.9 | 167.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P49 V53 | P49-G51 PolarHBondContact O-N 3.5Å; G51-V53 PolarHBondContact O-N 3.32Å | ||
| 52 | E | 59.2 | Low | 68.8 | Low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | trans | -50.9 | 94.6 | 179.8 | -101.1 | -179.7 | 154 | 0 | 0 | 111.8 | S54 R56 | E52-S54 PolarHBondContact O-N 3.11Å; E52-R56 WeakPolarHBondContact OE1-CD 3.41Å | ||
| 53 | V | 61.8 | Low | 70.8 | Confident | 143 Ų | 143 | 118.5 Ų | 118.5 | 87% | 0.867 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -81.3 | 70.2 | 173.8 | -97.7 | 0 | 0 | 0 | 0 | 108.9 | G51 | G51-V53 PolarHBondContact O-N 3.32Š|
| 54 | S | 62.2 | Low | 72.9 | Confident | 82 Ų | 82 | 116.5 Ų | 116.5 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 169 | 130.6 | 156.3 | -177.9 | 0 | 0 | 0 | 0 | 105.3 | E52 R56 | E52-S54 PolarHBondContact O-N 3.11Å; S54-R56 VanDerWaalsContact C-N 3.32Å; S54-R56 PolarHBondContact O-N 3.43Å |
| 55 | S | 62.8 | Low | 74.7 | Confident | 106 Ų | 106 | 112.5 Ų | 112.5 | 74% | 0.741 | 61% | 0.61 | S | S | * | * | trans | -57.8 | 101.2 | 163.4 | 42.4 | 0 | 0 | 0 | 0 | 107.3 | L57 | S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.36Å | ||
| 56 | R | 68.8 | Low | 76.4 | Confident | 198 Ų | 198 | 109.1 Ų | 109.1 | 75% | 0.747 | 59% | 0.594 | S | S | * | * | trans | -64.2 | 102.7 | 174.7 | -69.7 | -168.5 | 85.7 | 178.3 | 6.5 | 105.9 | E52 S54 T58 | E52-R56 WeakPolarHBondContact OE1-CD 3.41Å; S54-R56 VanDerWaalsContact C-N 3.32Å; S54-R56 PolarHBondContact O-N 3.43Å; R56-T58 PolarHBondContact O-N 2.97Å | ||
| 57 | L | 78.5 | Confident | 77.6 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -55.8 | 126.4 | 174.5 | -67.3 | 173.9 | 0 | 0 | 0 | 107.3 | S55 Q61 I62 | S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.36Å; L57-Q61 HydrophobicContact CB-CB 4.47Å; L57-Q61 HydrophobicContact CD2-CB 4.5Å; L57-I62 HydrophobicContact CB-CD1 4.23Å; L57-I62 HydrophobicContact CB-CG1 3.76Å; L57-I62 HydrophobicContact CD1-CG1 4.49Å | ||
| 58 | T | 85.7 | Confident | 78.8 | Confident | 63 Ų | 63 | 109.4 Ų | 109.4 | 39% | 0.387 | 58% | 0.584 | S | S | . | * | trans | -63.8 | 153.2 | 176.5 | 69.3 | 0 | 0 | 0 | 0 | 108.9 | R56 E60 Q61 I62 | R56-T58 PolarHBondContact O-N 2.97Å; T58-E60 PolarHBondContact O-N 2.89Å; T58-E60 VanDerWaalsContact O-N 3.08Å; T58-Q61 VanDerWaalsContact N-OE1 3.16Å; T58-Q61 WeakPolarHBondContact O-CB 3.49Å; T58-Q61 PolarHBondContact O-N 3.1Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.47Å; T58-Q61 PolarHBondContact OG1-N 3.37Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.03Å | ||
| 59 | T | 83.8 | Confident | 79.7 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 74% | 0.742 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -51.8 | -35.8 | 176.9 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | I62 L63 | T59-I62 PolarHBondContact O-N 2.81Å; T59-L63 WeakPolarHBondContact O-CB 3.36Å; T59-L63 PolarHBondContact O-N 3.07Å |
| 60 | E | 89.4 | Confident | 81 | Confident | 150 Ų | 150 | 109.7 Ų | 109.7 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.6 | -42 | 176.9 | -64.7 | 146.8 | 179.2 | 0 | 0 | 112.3 | T58 L63 H64 | T58-E60 PolarHBondContact O-N 2.89Å; T58-E60 VanDerWaalsContact O-N 3.08Å; E60-L63 PolarHBondContact O-N 2.91Å; E60-H64 VanDerWaalsContact O-CB 3.32Å; E60-H64 WeakPolarHBondContact O-CB 3.27Å; E60-H64 PolarHBondContact O-N 3.44Å |
| 61 | Q | 88.9 | Confident | 82.7 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 44% | 0.435 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.3 | -39.2 | 176.4 | -73.3 | 171.2 | -9.4 | 0 | 0 | 111.5 | L57 T58 H64 N65 | L57-Q61 HydrophobicContact CB-CB 4.47Å; L57-Q61 HydrophobicContact CD2-CB 4.5Å; T58-Q61 VanDerWaalsContact N-OE1 3.16Å; T58-Q61 WeakPolarHBondContact O-CB 3.49Å; T58-Q61 PolarHBondContact O-N 3.1Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.47Å; T58-Q61 PolarHBondContact OG1-N 3.37Å; Q61-H64 PolarHBondContact O-N 3.38Å; Q61-N65 WeakPolarHBondContact O-CB 3.42Å; Q61-N65 PolarHBondContact O-N 2.95Å; Q61-N65 PolarHBondContact O-ND2 2.84Å |
| 62 | I | 92.6 | Very high | 84 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 40% | 0.395 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -48.9 | 175.1 | -63 | 169.5 | 0 | 0 | 0 | 109.6 | L57 T58 T59 H64 N65 I66 | L57-I62 HydrophobicContact CB-CD1 4.23Å; L57-I62 HydrophobicContact CB-CG1 3.76Å; L57-I62 HydrophobicContact CD1-CG1 4.49Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.03Å; T59-I62 PolarHBondContact O-N 2.81Å; I62-H64 VanDerWaalsContact C-N 3.29Å; I62-H64 PolarHBondContact O-N 3.3Å; I62-N65 PolarHBondContact O-N 3.43Å; I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.44Å; I62-I66 VanDerWaalsContact O-CG1 3.28Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 3.26Å |
| 63 | L | 94.6 | Very high | 85.4 | Confident | 95 Ų | 95 | 107.4 Ų | 107.4 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 177.7 | -178.3 | 64.9 | 0 | 0 | 0 | 111.9 | T59 E60 I66 K67 | T59-L63 WeakPolarHBondContact O-CB 3.36Å; T59-L63 PolarHBondContact O-N 3.07Å; E60-L63 PolarHBondContact O-N 2.91Å; L63-I66 PolarHBondContact O-N 3.43Å; L63-K67 WeakPolarHBondContact O-CG 3.48Å; L63-K67 PolarHBondContact O-N 3.48Å |
| 64 | H | 94.5 | Very high | 86.3 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.2 | -171.8 | 78.9 | 0 | 0 | 0 | 111.8 | E60 Q61 I62 I66 K67 Q68 | E60-H64 VanDerWaalsContact O-CB 3.32Å; E60-H64 WeakPolarHBondContact O-CB 3.27Å; E60-H64 PolarHBondContact O-N 3.44Å; Q61-H64 PolarHBondContact O-N 3.38Å; I62-H64 VanDerWaalsContact C-N 3.29Å; I62-H64 PolarHBondContact O-N 3.3Å; H64-I66 PolarHBondContact O-N 3Å; H64-K67 PolarHBondContact O-N 2.92Å; H64-Q68 PolarHBondContact CD2-NE2 2.78Å; H64-Q68 PolarHBondContact NE2-NE2 2.57Å; H64-Q68 WeakPolarHBondContact O-CG 3.35Å; H64-Q68 PolarHBondContact O-N 3.36Å |
| 65 | N | 92.8 | Very high | 87.4 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 176.4 | -81.6 | -53.7 | 0 | 0 | 0 | 111.8 | Q61 I62 K67 Q68 E69 | Q61-N65 WeakPolarHBondContact O-CB 3.42Å; Q61-N65 PolarHBondContact O-N 2.95Å; Q61-N65 PolarHBondContact O-ND2 2.84Å; I62-N65 PolarHBondContact O-N 3.43Å; N65-K67 PolarHBondContact O-N 3.34Å; N65-Q68 PolarHBondContact O-N 2.91Å; N65-E69 WeakPolarHBondContact O-CB 3.37Å; N65-E69 PolarHBondContact O-N 2.97Å |
| 66 | I | 94.8 | Very high | 88.4 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 177 | -67 | 166.8 | 0 | 0 | 0 | 110.8 | I62 L63 H64 Q68 E69 Y70 | I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.44Å; I62-I66 VanDerWaalsContact O-CG1 3.28Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 3.26Å; L63-I66 PolarHBondContact O-N 3.43Å; H64-I66 PolarHBondContact O-N 3Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.49Å; I66-E69 PolarHBondContact O-N 3.32Å; I66-Y70 WeakPolarHBondContact O-CB 3.42Å; I66-Y70 PolarHBondContact O-N 3.32Å |
| 67 | K | 94.4 | Very high | 88.6 | Confident | 130 Ų | 130 | 114.7 Ų | 114.7 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -41 | 177.7 | -79.3 | -178.3 | 177.6 | 178.7 | 0 | 112.2 | L63 H64 N65 K71 | L63-K67 WeakPolarHBondContact O-CG 3.48Å; L63-K67 PolarHBondContact O-N 3.48Å; H64-K67 PolarHBondContact O-N 2.92Å; N65-K67 PolarHBondContact O-N 3.34Å; K67-K71 PolarHBondContact O-N 3.18Å |
| 68 | Q | 93.8 | Very high | 87.8 | Confident | 90 Ų | 90 | 117.4 Ų | 117.4 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 177.3 | -72.5 | -162.7 | 3.8 | 0 | 0 | 111.9 | H64 N65 I66 Y70 K71 R72 | H64-Q68 PolarHBondContact CD2-NE2 2.78Å; H64-Q68 PolarHBondContact NE2-NE2 2.57Å; H64-Q68 WeakPolarHBondContact O-CG 3.35Å; H64-Q68 PolarHBondContact O-N 3.36Å; N65-Q68 PolarHBondContact O-N 2.91Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.49Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Q68-K71 PolarHBondContact O-N 3.36Å; Q68-R72 WeakPolarHBondContact O-CB 3.27Å; Q68-R72 PolarHBondContact O-N 3.25Å |
| 69 | E | 91.1 | Very high | 86.6 | Confident | 71 Ų | 71 | 118.5 Ų | 118.5 | 33% | 0.332 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.5 | -162.3 | 64.9 | -126.6 | 0 | 0 | 110.9 | N65 I66 K71 R72 M73 | N65-E69 WeakPolarHBondContact O-CB 3.37Å; N65-E69 PolarHBondContact O-N 2.97Å; I66-E69 PolarHBondContact O-N 3.32Å; E69-K71 PolarHBondContact O-N 2.95Å; E69-R72 CarbonylContact O-C 3.58Å; E69-R72 WeakPolarHBondContact O-CA 3.28Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.42Å; E69-R72 IonicContact OE1-CZ 3.25Å; E69-R72 IonicContact OE1-NE 3.62Å; E69-R72 IonicContact OE1-NH1 2.78Å; E69-R72 PolarHBondContact OE1-NH1 2.85Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NH1 2.57Å; E69-R72 PolarHBondContact OE2-NH1 3.27Å; E69-R72 IonicContact OE2-NH2 2.68Å; E69-R72 PolarHBondContact OE2-NH2 2.88Å; E69-M73 WeakPolarHBondContact O-CG 3.46Å; E69-M73 PolarHBondContact O-N 2.95Å |
| 70 | Y | 91.3 | Very high | 85 | Confident | 125 Ų | 125 | 119.6 Ų | 119.6 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 175.9 | -178.6 | -92.3 | 0 | 0 | 0 | 111.8 | I66 Q68 R72 M73 Q74 L79 | I66-Y70 WeakPolarHBondContact O-CB 3.42Å; I66-Y70 PolarHBondContact O-N 3.32Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Y70-R72 VanDerWaalsContact C-N 3.3Å; Y70-R72 PolarHBondContact O-N 3.42Å; Y70-M73 PolarHBondContact O-N 3.16Å; Y70-Q74 WeakPolarHBondContact O-CB 3.39Å; Y70-Q74 PolarHBondContact O-N 3.47Å; Y70-L79 HydrophobicContact CD2-CD2 4.08Å; Y70-L79 HydrophobicContact CE2-CD2 3.37Å |
| 71 | K | 91.4 | Very high | 83.2 | Confident | 153 Ų | 153 | 117.5 Ų | 117.5 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 175.1 | -76 | -174 | 177.5 | -176.2 | 0 | 112.1 | K67 Q68 E69 Q74 K75 | K67-K71 PolarHBondContact O-N 3.18Å; Q68-K71 PolarHBondContact O-N 3.36Å; E69-K71 PolarHBondContact O-N 2.95Å; K71-Q74 PolarHBondContact O-N 2.86Å; K71-K75 PolarHBondContact O-N 3.43Å |
| 72 | R | 91.6 | Very high | 81.2 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 178.6 | -159.6 | -170.3 | -53.9 | 145.7 | 5.3 | 111.5 | Q68 E69 Y70 K75 R76 | Q68-R72 WeakPolarHBondContact O-CB 3.27Å; Q68-R72 PolarHBondContact O-N 3.25Å; E69-R72 CarbonylContact O-C 3.58Å; E69-R72 WeakPolarHBondContact O-CA 3.28Å; E69-R72 WeakPolarHBondContact O-CB 3.45Å; E69-R72 PolarHBondContact O-N 3.42Å; E69-R72 IonicContact OE1-CZ 3.25Å; E69-R72 IonicContact OE1-NE 3.62Å; E69-R72 IonicContact OE1-NH1 2.78Å; E69-R72 PolarHBondContact OE1-NH1 2.85Å; E69-R72 IonicContact OE2-CZ 3.68Å; E69-R72 IonicContact OE2-NH1 2.57Å; E69-R72 PolarHBondContact OE2-NH1 3.27Å; E69-R72 IonicContact OE2-NH2 2.68Å; E69-R72 PolarHBondContact OE2-NH2 2.88Å; Y70-R72 VanDerWaalsContact C-N 3.3Å; Y70-R72 PolarHBondContact O-N 3.42Å; R72-K75 PolarHBondContact O-N 3.28Å; R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.06Å; R72-R76 VanDerWaalsContact O-N 3.16Å |
| 73 | M | 87.8 | Confident | 79.1 | Confident | 75 Ų | 75 | 124.2 Ų | 124.2 | 37% | 0.369 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -41.5 | 175.2 | -73.9 | -172.4 | 67.7 | 0 | 0 | 112.1 | E69 Y70 R76 R77 H78 L79 | E69-M73 WeakPolarHBondContact O-CG 3.46Å; E69-M73 PolarHBondContact O-N 2.95Å; Y70-M73 PolarHBondContact O-N 3.16Å; M73-R76 PolarHBondContact O-N 3.18Å; M73-R77 PolarHBondContact O-N 3.28Å; M73-H78 PolarHBondContact O-N 3.28Å; M73-L79 HydrophobicContact CE-CD1 4.47Å |
| 74 | Q | 82.2 | Confident | 76.7 | Confident | 116 Ų | 116 | 127.3 Ų | 127.3 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.4 | -43.6 | 176.4 | -164.6 | -179.9 | 12.8 | 0 | 0 | 111.5 | Y70 K71 R76 R77 | Y70-Q74 WeakPolarHBondContact O-CB 3.39Å; Y70-Q74 PolarHBondContact O-N 3.47Å; K71-Q74 PolarHBondContact O-N 2.86Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.97Å; Q74-R77 PolarHBondContact O-N 3Å; Q74-R77 VanDerWaalsContact O-N 3.13Å |
| 75 | K | 83.9 | Confident | 74.1 | Confident | 189 Ų | 189 | 131.2 Ų | 131.2 | 82% | 0.822 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.4 | -34.6 | 175.4 | -174 | 179.6 | 179 | -178.9 | 0 | 112.7 | K71 R72 R77 | K71-K75 PolarHBondContact O-N 3.43Å; R72-K75 PolarHBondContact O-N 3.28Å; K75-R77 PolarHBondContact O-N 3.47Å |
| 76 | R | 85.3 | Confident | 71.7 | Confident | 169 Ų | 169 | 133 Ų | 133 | 64% | 0.638 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 2.9 | 178.4 | -72.1 | 178 | -179.6 | 175.2 | 0.5 | 113.5 | R72 M73 Q74 H78 | R72-R76 WeakPolarHBondContact O-CG 3.35Å; R72-R76 PolarHBondContact O-N 3.06Å; R72-R76 VanDerWaalsContact O-N 3.16Å; M73-R76 PolarHBondContact O-N 3.18Å; Q74-R76 VanDerWaalsContact C-N 3.29Å; Q74-R76 PolarHBondContact O-N 2.97Å; R76-H78 HydrophobicContact CB-CB 4.43Å; R76-H78 PolarHBondContact O-N 2.99Å; R76-H78 VanDerWaalsContact O-N 3.1Å |
| 77 | R | 72.4 | Confident | 68.9 | Low | 209 Ų | 209 | 137.1 Ų | 137.1 | 79% | 0.789 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.8 | 29.5 | -171.8 | -65.7 | -158.2 | -76.1 | -116.2 | 3.2 | 113.1 | M73 Q74 K75 L79 | M73-R77 PolarHBondContact O-N 3.28Å; Q74-R77 PolarHBondContact O-N 3Å; Q74-R77 VanDerWaalsContact O-N 3.13Å; K75-R77 PolarHBondContact O-N 3.47Å; R77-L79 VanDerWaalsContact C-N 3.32Å |
| 78 | H | 62.2 | Low | 66 | Low | 151 Ų | 151 | 134 Ų | 134 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | trans | -88.1 | -3.6 | 178.4 | -112.1 | -82.5 | 0 | 0 | 0 | 112.7 | M73 R76 | M73-H78 PolarHBondContact O-N 3.28Å; R76-H78 HydrophobicContact CB-CB 4.43Å; R76-H78 PolarHBondContact O-N 2.99Å; R76-H78 VanDerWaalsContact O-N 3.1Å | ||
| 79 | L | 59.3 | Low | 62.9 | Low | 86 Ų | 86 | 135.4 Ų | 135.4 | 45% | 0.45 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -119.4 | 34.7 | -177.2 | -160 | 75.9 | 0 | 0 | 0 | 111.8 | Y70 M73 R77 N81 | Y70-L79 HydrophobicContact CD2-CD2 4.08Å; Y70-L79 HydrophobicContact CE2-CD2 3.37Å; M73-L79 HydrophobicContact CE-CD1 4.47Å; R77-L79 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.47Å |
| 80 | E | 51.1 | Low | 60 | Low | 144 Ų | 144 | 138.2 Ų | 138.2 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | trans | -74.3 | 119.7 | 176.6 | -154.6 | -177.9 | 162.6 | 0 | 0 | 110.4 | ||||
| 81 | N | 52.1 | Low | 57.5 | Low | 107 Ų | 107 | 137.8 Ų | 137.8 | 57% | 0.572 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 72.1 | 36.5 | 146.3 | -75.1 | -5 | 0 | 0 | 0 | 122.6 | L79 Q84 | L79-N81 PolarHBondContact O-N 3.47Å; N81-Q84 PolarHBondContact OD1-NE2 2.93Å |
| 82 | S | 46.8 | Very low | 55.1 | Low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -101.5 | -5.7 | 163.7 | -158.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 83 | F | 48.8 | Very low | 52.2 | Low | 196 Ų | 196 | 142.5 Ų | 142.5 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -108.6 | 4.3 | -170.5 | -145.3 | -96.6 | 0 | 0 | 0 | 115.3 | ||
| 84 | Q | 42.5 | Very low | 49.7 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.8 | 5.9 | 179.2 | -80.7 | 170.4 | 88.1 | 0 | 0 | 114 | N81 | N81-Q84 PolarHBondContact OD1-NE2 2.93Š|
| 85 | Q | 40 | Very low | 47.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -104.9 | 19.2 | 179.4 | -95.6 | -171.4 | 79.7 | 0 | 0 | 114.7 | ||
| 86 | T | 42.2 | Very low | 45.8 | Very low | 114 Ų | 114 | 142 Ų | 142 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -117.7 | 35.5 | 176.9 | -24.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 87 | E | 37.3 | Very low | 43.2 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -119 | 82.5 | 166.1 | -68.1 | -70.6 | 164.2 | 0 | 0 | 107 | ||||
| 88 | G | 33.4 | Very low | 41.5 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -167.7 | 59 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 89 | C | 28.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 27.5 | 103.6 | 150.2 | -155.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 90 | C | 29.1 | Very low | 39.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 119.2 | 158.2 | -69 | 0 | 0 | 0 | 0 | 109.1 | ||
| 91 | P | 39.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 127.5 | 148.8 | 31.2 | -20.8 | 0 | 0 | 0 | 109.3 | ||
| 92 | L | 40.3 | Very low | 38.6 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64 | 117.7 | 167.7 | 173.4 | 73.8 | 0 | 0 | 0 | 110.3 | ||
| 93 | E | 31.9 | Very low | 38.1 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -170.5 | 133.6 | 141.1 | -133.1 | -176.5 | 135 | 0 | 0 | 114.5 | ||||
| 94 | S | 34.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 69.2 | 110.1 | 153.4 | 64.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 95 | Q | 34.3 | Very low | 37.4 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 174.2 | 144.8 | -88.1 | -96.8 | -49 | 0 | 0 | 109.9 | ||||
| 96 | P | 49.6 | Very low | 37.5 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 53% | 0.532 | 78% | 0.782 | S | S | . | * | cis | -129.5 | -173.4 | -8.7 | 19.7 | 5.8 | 0 | 0 | 0 | 113 | ||||
| 97 | H | 31 | Very low | 37.9 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 122.4 | 106.3 | 153 | -60.3 | -70.7 | 0 | 0 | 0 | 117.6 | ||||
| 98 | S | 36.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 38.9 | 120.5 | 138.8 | 61.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 99 | S | 38.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -175.3 | 121.1 | 119.9 | 40.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 100 | I | 47.5 | Very low | 39 | Very low | 157 Ų | 157 | 130 Ų | 130 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -74.6 | 135.2 | 161.8 | -56.7 | 174.9 | 0 | 0 | 0 | 107.3 | ||||
| 101 | L | 43.6 | Very low | 40 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 154.6 | 139.3 | 135.1 | -86.3 | 152.5 | 0 | 0 | 0 | 113.2 | ||||
| 102 | N | 35.1 | Very low | 40.1 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 67.2 | 130.6 | 155.6 | -66 | 13.5 | 0 | 0 | 0 | 117.4 | ||||
| 103 | G | 35.3 | Very low | 40.5 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | 111.5 | 117.1 | 27.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 104 | S | 37.3 | Very low | 41.1 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 98 | 108.3 | 159.4 | -146 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 105 | S | 39.2 | Very low | 41.6 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 62.4 | 123.9 | 125.5 | 67 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 106 | L | 41.3 | Very low | 42.2 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | -158.3 | 140.9 | 125 | -99.6 | 155.8 | 0 | 0 | 0 | 110.5 | |||||
| 107 | P | 51.9 | Low | 42.2 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -93 | 142.3 | -179.4 | 36.1 | -29.2 | 0 | 0 | 0 | 111.4 | ||||
| 108 | G | 37.7 | Very low | 43.3 | Very low | 77 Ų | 77 | 122.9 Ų | 122.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -154.1 | 101.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 109 | T | 46.2 | Very low | 44 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -59.4 | 132.5 | 178.4 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 110 | S | 38.9 | Very low | 44.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 124.3 | 137 | 59 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | S | 49.4 | Very low | 45 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | -62.2 | 127.6 | 176 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 112 | G | 42.1 | Very low | 46 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -152 | 112.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V114 | G112-V114 PolarHBondContact O-N 3.46Š| ||
| 113 | A | 47.7 | Very low | 47.9 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -46.4 | 119.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S115 | A113-S115 PolarHBondContact O-N 3.35Š| ||
| 114 | V | 46.4 | Very low | 50.1 | Low | 142 Ų | 142 | 129.3 Ų | 129.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -94.1 | 88.8 | 165.1 | -64.3 | 0 | 0 | 0 | 0 | 108.9 | G112 P116 | G112-V114 PolarHBondContact O-N 3.46Å; V114-P116 WeakPolarHBondContact O-CD 3.3Å | ||
| 115 | S | 43.6 | Very low | 52.7 | Low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -68.4 | 120.9 | 162.6 | 9.5 | 0 | 0 | 0 | 0 | 108.6 | A113 S117 | A113-S115 PolarHBondContact O-N 3.35Å; S115-S117 PolarHBondContact O-N 3.24Å | ||
| 116 | P | 48.5 | Very low | 55.3 | Low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -86.5 | 63.3 | 176.1 | 36.2 | -31.8 | 0 | 0 | 0 | 108.7 | V114 | V114-P116 WeakPolarHBondContact O-CD 3.3Š| ||
| 117 | S | 49.3 | Very low | 57.7 | Low | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -133.8 | 55.3 | -175.2 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | S115 | S115-S117 PolarHBondContact O-N 3.24Š| ||
| 118 | R | 54.5 | Low | 59.8 | Low | 250 Ų | 250 | 130.8 Ų | 130.8 | 94% | 0.943 | 74% | 0.741 | S | S | * | * | trans | -147.7 | 62.8 | 143.4 | -66.2 | -154.6 | -158.7 | -129.6 | 11.4 | 108.3 | ||||
| 119 | K | 51 | Low | 62.6 | Low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | -67.1 | 138 | 163.9 | -69.7 | -179.7 | 179.9 | 179.4 | 0 | 107.6 | ||||
| 120 | E | 54.3 | Low | 65 | Low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | 78.9 | 58.4 | 151.4 | -153 | 167 | -168.5 | 0 | 0 | 117.3 | ||||
| 121 | Q | 51.1 | Low | 67.8 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | trans | -136.6 | 116.5 | 141.7 | -156.4 | 158.3 | 41.5 | 0 | 0 | 107 | L123 | Q121-L123 HydrophobicContact CB-CD1 3.82Å; Q121-L123 HydrophobicContact CG-CD1 4.18Å; Q121-L123 WeakPolarHBondContact O-CD1 3.37Å; Q121-L123 PolarHBondContact O-N 2.92Å | ||
| 122 | P | 64.9 | Low | 70 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | trans | -67.8 | 89.4 | 171 | 27.8 | -30.7 | 0 | 0 | 0 | 106.7 | F124 | P122-F124 PolarHBondContact O-N 2.76Å; P122-F124 VanDerWaalsContact O-N 3.14Å | ||
| 123 | L | 74.6 | Confident | 72.7 | Confident | 138 Ų | 138 | 120.2 Ų | 120.2 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | trans | -69.1 | 111.1 | 168.1 | -87 | 81.1 | 0 | 0 | 0 | 106.2 | Q121 T125 | Q121-L123 HydrophobicContact CB-CD1 3.82Å; Q121-L123 HydrophobicContact CG-CD1 4.18Å; Q121-L123 WeakPolarHBondContact O-CD1 3.37Å; Q121-L123 PolarHBondContact O-N 2.92Å; L123-T125 PolarHBondContact O-N 2.91Å | ||
| 124 | F | 82.1 | Confident | 75 | Confident | 123 Ų | 123 | 121.9 Ų | 121.9 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -60.5 | 129 | 172.2 | -63.8 | -74.7 | 0 | 0 | 0 | 109.1 | P122 Q128 V129 I132 | P122-F124 PolarHBondContact O-N 2.76Å; P122-F124 VanDerWaalsContact O-N 3.14Å; F124-Q128 HydrophobicContact CB-CB 4.12Å; F124-Q128 HydrophobicContact CD1-CB 4.1Å; F124-V129 HydrophobicContact CB-CG2 3.6Å; F124-I132 HydrophobicContact CD1-CD1 3.99Å; F124-I132 HydrophobicContact CE1-CD1 4.02Å; F124-I132 HydrophobicContact CG-CD1 4.33Å; F124-I132 HydrophobicContact CZ-CD1 4.38Å | ||
| 125 | T | 92.3 | Very high | 77.5 | Confident | 78 Ų | 78 | 122.6 Ų | 122.6 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | trans | -61.4 | 153.3 | 166.7 | 63.3 | 0 | 0 | 0 | 0 | 109.4 | L123 R127 Q128 V129 | L123-T125 PolarHBondContact O-N 2.91Å; T125-R127 PolarHBondContact O-N 2.68Å; T125-R127 VanDerWaalsContact O-N 3.1Å; T125-Q128 WeakPolarHBondContact O-CA 3.12Å; T125-Q128 WeakPolarHBondContact O-CB 3.27Å; T125-Q128 PolarHBondContact O-N 3.22Å; T125-Q128 VanDerWaalsContact OG1-CD 3.31Å; T125-Q128 VanDerWaalsContact OG1-CG 3.27Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.28Å; T125-Q128 PolarHBondContact OG1-N 3.45Å; T125-Q128 PolarHBondContact OG1-OE1 3.34Å; T125-Q128 VanDerWaalsContact OG1-OE1 3.07Å; T125-V129 PolarHBondContact O-N 2.89Å | ||
| 126 | L | 92.9 | Very high | 80.1 | Confident | 158 Ų | 158 | 122.9 Ų | 122.9 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52.5 | -37.4 | 177.7 | -178.8 | 62.2 | 0 | 0 | 0 | 112.2 | V129 G130 | L126-V129 PolarHBondContact O-N 3.2Å; L126-G130 PolarHBondContact O-N 3.45Å |
| 127 | R | 93.1 | Very high | 82.5 | Confident | 205 Ų | 205 | 123.5 Ų | 123.5 | 77% | 0.774 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -43.4 | 175 | -174.2 | 178.6 | 175.5 | -137.9 | -1.4 | 112.3 | T125 G130 M131 | T125-R127 PolarHBondContact O-N 2.68Å; T125-R127 VanDerWaalsContact O-N 3.1Å; R127-G130 PolarHBondContact O-N 2.85Å; R127-M131 WeakPolarHBondContact O-CG 3.47Å; R127-M131 PolarHBondContact O-N 3.01Å; R127-M131 VanDerWaalsContact O-N 3.11Å |
| 128 | Q | 96 | Very high | 84.8 | Confident | 89 Ų | 89 | 125.8 Ų | 125.8 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -40.4 | 176.9 | -74.3 | 164.2 | -31.5 | 0 | 0 | 111.6 | F124 T125 G130 M131 I132 | F124-Q128 HydrophobicContact CB-CB 4.12Å; F124-Q128 HydrophobicContact CD1-CB 4.1Å; T125-Q128 WeakPolarHBondContact O-CA 3.12Å; T125-Q128 WeakPolarHBondContact O-CB 3.27Å; T125-Q128 PolarHBondContact O-N 3.22Å; T125-Q128 VanDerWaalsContact OG1-CD 3.31Å; T125-Q128 VanDerWaalsContact OG1-CG 3.27Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.28Å; T125-Q128 PolarHBondContact OG1-N 3.45Å; T125-Q128 PolarHBondContact OG1-OE1 3.34Å; T125-Q128 VanDerWaalsContact OG1-OE1 3.07Å; Q128-G130 VanDerWaalsContact C-N 3.34Å; Q128-M131 PolarHBondContact O-N 2.91Å; Q128-I132 WeakPolarHBondContact O-CD1 3.42Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.29Å |
| 129 | V | 96.4 | Very high | 86.9 | Confident | 62 Ų | 62 | 119.2 Ų | 119.2 | 38% | 0.376 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | F124 T125 L126 M131 I132 C133 | F124-V129 HydrophobicContact CB-CG2 3.6Å; T125-V129 PolarHBondContact O-N 2.89Å; L126-V129 PolarHBondContact O-N 3.2Å; V129-M131 PolarHBondContact O-N 3.31Å; V129-I132 PolarHBondContact O-N 2.95Å; V129-C133 PolarHBondContact O-N 3Å; V129-C133 PolarHBondContact O-SG 2.88Å |
| 130 | G | 95.9 | Very high | 89.1 | Confident | 38 Ų | 38 | 118.7 Ų | 118.7 | 39% | 0.392 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -55.5 | -48.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L126 R127 Q128 I132 C133 E134 | L126-G130 PolarHBondContact O-N 3.45Å; R127-G130 PolarHBondContact O-N 2.85Å; Q128-G130 VanDerWaalsContact C-N 3.34Å; G130-I132 VanDerWaalsContact C-N 3.32Å; G130-I132 PolarHBondContact O-N 3.16Å; G130-C133 PolarHBondContact O-N 3.07Å; G130-E134 WeakPolarHBondContact O-CB 3.05Å; G130-E134 PolarHBondContact O-N 3.38Å |
| 131 | M | 97.2 | Very high | 91.3 | Very high | 94 Ų | 94 | 114.8 Ų | 114.8 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -37.1 | 177.1 | -67.3 | 177.7 | 67.7 | 0 | 0 | 113.1 | R127 Q128 V129 R135 | R127-M131 WeakPolarHBondContact O-CG 3.47Å; R127-M131 PolarHBondContact O-N 3.01Å; R127-M131 VanDerWaalsContact O-N 3.11Å; Q128-M131 PolarHBondContact O-N 2.91Å; V129-M131 PolarHBondContact O-N 3.31Å; M131-R135 WeakPolarHBondContact O-CB 3.49Å; M131-R135 PolarHBondContact O-N 2.87Å |
| 132 | I | 96.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 111.5 Ų | 111.5 | 30% | 0.303 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 178.1 | -67.6 | 162.7 | 0 | 0 | 0 | 109.8 | F124 Q128 V129 G130 E134 R135 L136 | F124-I132 HydrophobicContact CD1-CD1 3.99Å; F124-I132 HydrophobicContact CE1-CD1 4.02Å; F124-I132 HydrophobicContact CG-CD1 4.33Å; F124-I132 HydrophobicContact CZ-CD1 4.38Å; Q128-I132 WeakPolarHBondContact O-CD1 3.42Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.49Å; Q128-I132 PolarHBondContact O-N 3.29Å; V129-I132 PolarHBondContact O-N 2.95Å; G130-I132 VanDerWaalsContact C-N 3.32Å; G130-I132 PolarHBondContact O-N 3.16Å; I132-E134 PolarHBondContact O-N 3.39Å; I132-R135 PolarHBondContact O-N 3.3Å; I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 HydrophobicContact CG2-CG 4.33Å; I132-L136 WeakPolarHBondContact O-CB 3.39Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 2.74Å |
| 133 | C | 97.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 111.6 Ų | 111.6 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.9 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | V129 G130 R135 L136 L137 | V129-C133 PolarHBondContact O-N 3Å; V129-C133 PolarHBondContact O-SG 2.88Å; G130-C133 PolarHBondContact O-N 3.07Å; C133-R135 PolarHBondContact O-N 2.86Å; C133-L136 PolarHBondContact O-N 3.44Å; C133-L137 WeakPolarHBondContact O-CB 3.41Å; C133-L137 VanDerWaalsContact O-CG 3.27Å; C133-L137 WeakPolarHBondContact O-CG 3.41Å; C133-L137 PolarHBondContact O-N 3.45Å |
| 134 | E | 97.4 | Very high | 96.3 | Very high | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.6 | -47.5 | 176.4 | -175.1 | -175.7 | 170.5 | 0 | 0 | 111.5 | G130 I132 L137 K138 | G130-E134 WeakPolarHBondContact O-CB 3.05Å; G130-E134 PolarHBondContact O-N 3.38Å; I132-E134 PolarHBondContact O-N 3.39Å; E134-L137 PolarHBondContact O-N 2.97Å; E134-K138 WeakPolarHBondContact O-CB 3.39Å; E134-K138 PolarHBondContact O-N 3.46Å |
| 135 | R | 98.1 | Very high | 97.1 | Very high | 158 Ų | 158 | 109.8 Ų | 109.8 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 177.4 | -175.1 | -176 | -62.8 | 145.1 | 0.4 | 112 | M131 I132 C133 L137 K138 E139 | M131-R135 WeakPolarHBondContact O-CB 3.49Å; M131-R135 PolarHBondContact O-N 2.87Å; I132-R135 PolarHBondContact O-N 3.3Å; C133-R135 PolarHBondContact O-N 2.86Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.46Å; R135-K138 PolarHBondContact O-N 3.3Å; R135-E139 VanDerWaalsContact O-CB 3.31Å; R135-E139 WeakPolarHBondContact O-CB 3.39Å; R135-E139 PolarHBondContact O-N 2.93Å |
| 136 | L | 98.3 | Very high | 97.4 | Very high | 96 Ų | 96 | 111.4 Ų | 111.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -179 | -74 | 172.4 | 0 | 0 | 0 | 111.9 | I132 C133 R140 | I132-L136 HydrophobicContact CG2-CD1 3.82Å; I132-L136 HydrophobicContact CG2-CG 4.33Å; I132-L136 WeakPolarHBondContact O-CB 3.39Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 2.74Å; C133-L136 PolarHBondContact O-N 3.44Å; L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 2.88Å |
| 137 | L | 98.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 108.3 Ų | 108.3 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -45.8 | 176 | -71.1 | 171.6 | 0 | 0 | 0 | 111.1 | C133 E134 R135 R140 E141 | C133-L137 WeakPolarHBondContact O-CB 3.41Å; C133-L137 VanDerWaalsContact O-CG 3.27Å; C133-L137 WeakPolarHBondContact O-CG 3.41Å; C133-L137 PolarHBondContact O-N 3.45Å; E134-L137 PolarHBondContact O-N 2.97Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.46Å; L137-R140 WeakPolarHBondContact O-CB 3.3Å; L137-R140 PolarHBondContact O-N 3.33Å; L137-E141 PolarHBondContact O-N 2.92Å |
| 138 | K | 98.5 | Very high | 97.9 | Very high | 138 Ų | 138 | 105.7 Ų | 105.7 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 177.9 | -173.4 | 176.2 | 178.7 | 179.7 | 0 | 112.1 | E134 R135 R140 E141 E142 | E134-K138 WeakPolarHBondContact O-CB 3.39Å; E134-K138 PolarHBondContact O-N 3.46Å; R135-K138 PolarHBondContact O-N 3.3Å; K138-R140 VanDerWaalsContact C-N 3.34Å; K138-R140 PolarHBondContact O-N 2.79Å; K138-E141 PolarHBondContact O-N 3.47Å; K138-E142 VanDerWaalsContact O-CB 3.3Å; K138-E142 WeakPolarHBondContact O-CB 3.49Å; K138-E142 PolarHBondContact O-N 3.5Å |
| 139 | E | 98.3 | Very high | 98 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.7 | -177.4 | -178 | 178.1 | 0 | 0 | 111.5 | R135 K143 | R135-E139 VanDerWaalsContact O-CB 3.31Å; R135-E139 WeakPolarHBondContact O-CB 3.39Å; R135-E139 PolarHBondContact O-N 2.93Å; E139-K143 VanDerWaalsContact O-CB 3.27Å; E139-K143 WeakPolarHBondContact O-CB 3.43Å; E139-K143 PolarHBondContact O-N 3.06Å |
| 140 | R | 98.5 | Very high | 98.2 | Very high | 164 Ų | 164 | 108.7 Ų | 108.7 | 62% | 0.619 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 175.7 | -117.1 | -79.9 | -171.9 | -132.4 | -1.1 | 112.2 | L136 L137 K138 I144 | L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 2.88Å; L137-R140 WeakPolarHBondContact O-CB 3.3Å; L137-R140 PolarHBondContact O-N 3.33Å; K138-R140 VanDerWaalsContact C-N 3.34Å; K138-R140 PolarHBondContact O-N 2.79Å; R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.34Å; R140-I144 PolarHBondContact O-N 3.06Å; R140-I144 VanDerWaalsContact O-N 3.16Å |
| 141 | E | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 111.8 Ų | 111.8 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 179 | -173.4 | -169.6 | 136 | 0 | 0 | 111.3 | L137 K138 I144 R145 | L137-E141 PolarHBondContact O-N 2.92Å; K138-E141 PolarHBondContact O-N 3.47Å; E141-I144 PolarHBondContact O-N 2.98Å; E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.5Å; E141-R145 IonicContact OE1-NH1 3.94Å; E141-R145 IonicContact OE1-NH2 3.13Å; E141-R145 PolarHBondContact OE1-NH2 2.8Å |
| 142 | E | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 110.8 Ų | 110.8 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.6 | -49 | 176 | -177.7 | 163.8 | -125.8 | 0 | 0 | 110.8 | K138 I144 R145 E146 | K138-E142 VanDerWaalsContact O-CB 3.3Å; K138-E142 WeakPolarHBondContact O-CB 3.49Å; K138-E142 PolarHBondContact O-N 3.5Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 3.28Å; E142-R145 WeakPolarHBondContact O-CB 3.38Å; E142-R145 PolarHBondContact O-N 3.08Å; E142-E146 HydrophobicContact CG-CG 4.47Å; E142-E146 WeakPolarHBondContact O-CG 3.45Å; E142-E146 PolarHBondContact O-N 2.97Å |
| 143 | K | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 112.3 Ų | 112.3 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 176.9 | -178.1 | 170.5 | -179 | 169 | 0 | 113.2 | E139 R145 E146 E147 | E139-K143 VanDerWaalsContact O-CB 3.27Å; E139-K143 WeakPolarHBondContact O-CB 3.43Å; E139-K143 PolarHBondContact O-N 3.06Å; K143-R145 VanDerWaalsContact C-N 3.33Å; K143-E146 PolarHBondContact O-N 3.19Å; K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 WeakPolarHBondContact O-CB 3.29Å; K143-E147 WeakPolarHBondContact O-CG 3.36Å; K143-E147 PolarHBondContact O-N 3.29Å |
| 144 | I | 98.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 112.3 Ų | 112.3 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 177.9 | -71.3 | 166.9 | 0 | 0 | 0 | 110.7 | R140 E141 E142 Y148 | R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.34Å; R140-I144 PolarHBondContact O-N 3.06Å; R140-I144 VanDerWaalsContact O-N 3.16Å; E141-I144 PolarHBondContact O-N 2.98Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 3.28Å; I144-Y148 WeakPolarHBondContact O-CB 3.34Å; I144-Y148 PolarHBondContact O-N 2.88Å |
| 145 | R | 98.8 | Very high | 98.6 | Very high | 126 Ų | 126 | 110.8 Ų | 110.8 | 48% | 0.475 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 177 | -173.5 | -176.8 | -67.7 | 108.9 | 0.7 | 111.2 | E141 E142 K143 Y148 D149 | E141-R145 PolarHBondContact O-N 2.94Å; E141-R145 IonicContact OE1-CZ 3.5Å; E141-R145 IonicContact OE1-NH1 3.94Å; E141-R145 IonicContact OE1-NH2 3.13Å; E141-R145 PolarHBondContact OE1-NH2 2.8Å; E142-R145 WeakPolarHBondContact O-CB 3.38Å; E142-R145 PolarHBondContact O-N 3.08Å; K143-R145 VanDerWaalsContact C-N 3.33Å; R145-Y148 WeakPolarHBondContact O-CB 3.47Å; R145-Y148 PolarHBondContact O-N 2.75Å; R145-D149 PolarHBondContact O-N 2.96Å |
| 146 | E | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.4 | -71.8 | 176 | 172.8 | 0 | 0 | 111.9 | E142 K143 Y148 D149 E150 | E142-E146 HydrophobicContact CG-CG 4.47Å; E142-E146 WeakPolarHBondContact O-CG 3.45Å; E142-E146 PolarHBondContact O-N 2.97Å; K143-E146 PolarHBondContact O-N 3.19Å; E146-Y148 VanDerWaalsContact C-N 3.27Å; E146-Y148 PolarHBondContact O-N 3.4Å; E146-D149 PolarHBondContact O-N 2.91Å; E146-E150 WeakPolarHBondContact O-CB 3.42Å; E146-E150 PolarHBondContact O-N 3.1Å |
| 147 | E | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 176.9 | -76.7 | -180 | -168.8 | 0 | 0 | 111.6 | K143 I151 | K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 WeakPolarHBondContact O-CB 3.29Å; K143-E147 WeakPolarHBondContact O-CG 3.36Å; K143-E147 PolarHBondContact O-N 3.29Å; E147-I151 WeakPolarHBondContact O-CB 3.46Å; E147-I151 WeakPolarHBondContact O-CD1 3.44Å; E147-I151 WeakPolarHBondContact O-CG1 3.21Å; E147-I151 PolarHBondContact O-N 3.1Å |
| 148 | Y | 98.8 | Very high | 98.7 | Very high | 150 Ų | 150 | 104.1 Ų | 104.1 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -48.7 | 176 | 175.1 | -94.7 | 0 | 0 | 0 | 112.1 | I144 R145 E146 E150 I151 L152 | I144-Y148 WeakPolarHBondContact O-CB 3.34Å; I144-Y148 PolarHBondContact O-N 2.88Å; R145-Y148 WeakPolarHBondContact O-CB 3.47Å; R145-Y148 PolarHBondContact O-N 2.75Å; E146-Y148 VanDerWaalsContact C-N 3.27Å; E146-Y148 PolarHBondContact O-N 3.4Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; Y148-E150 PolarHBondContact O-N 3.31Å; Y148-I151 PolarHBondContact O-N 3.02Å; Y148-L152 HydrophobicContact CE1-CD2 4.06Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 PolarHBondContact O-N 3.38Å |
| 149 | D | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | -178.8 | -72.8 | -18.7 | 0 | 0 | 0 | 111.6 | R145 E146 L152 T153 | R145-D149 PolarHBondContact O-N 2.96Å; E146-D149 PolarHBondContact O-N 2.91Å; D149-L152 PolarHBondContact O-N 3.32Å; D149-T153 VanDerWaalsContact O-CB 3.29Å; D149-T153 WeakPolarHBondContact O-CB 3.28Å; D149-T153 PolarHBondContact O-N 3.25Å; D149-T153 PolarHBondContact O-OG1 3.21Å |
| 150 | E | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 106 Ų | 106 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | 174.4 | -175.6 | -177.8 | -179.4 | 0 | 0 | 111.3 | E146 Y148 T153 T154 | E146-E150 WeakPolarHBondContact O-CB 3.42Å; E146-E150 PolarHBondContact O-N 3.1Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; Y148-E150 PolarHBondContact O-N 3.31Å; E150-T153 PolarHBondContact O-N 3.04Å; E150-T154 WeakPolarHBondContact O-CB 3.2Å; E150-T154 PolarHBondContact O-N 3.21Å; E150-T154 PolarHBondContact O-OG1 2.94Å |
| 151 | I | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 103 Ų | 103 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.5 | -69.7 | 166.8 | 0 | 0 | 0 | 110.3 | E147 Y148 T153 T154 K155 | E147-I151 WeakPolarHBondContact O-CB 3.46Å; E147-I151 WeakPolarHBondContact O-CD1 3.44Å; E147-I151 WeakPolarHBondContact O-CG1 3.21Å; E147-I151 PolarHBondContact O-N 3.1Å; Y148-I151 PolarHBondContact O-N 3.02Å; I151-T153 PolarHBondContact O-N 2.72Å; I151-T154 PolarHBondContact O-N 3Å; I151-K155 HydrophobicContact CG2-CG 4.27Å; I151-K155 WeakPolarHBondContact O-CB 3.48Å; I151-K155 WeakPolarHBondContact O-CG 3.38Å; I151-K155 PolarHBondContact O-N 3.03Å |
| 152 | L | 98.8 | Very high | 98.6 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 38% | 0.382 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 179.9 | 176.7 | 60.5 | 0 | 0 | 0 | 111.1 | Y148 D149 T154 K155 L156 | Y148-L152 HydrophobicContact CE1-CD2 4.06Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 PolarHBondContact O-N 3.38Å; D149-L152 PolarHBondContact O-N 3.32Å; L152-T154 VanDerWaalsContact C-N 3.34Å; L152-T154 PolarHBondContact O-N 3.4Å; L152-K155 PolarHBondContact O-N 3.44Å; L152-L156 HydrophobicContact CD1-CD1 4.15Å; L152-L156 HydrophobicContact CD1-CG 4.28Å; L152-L156 HydrophobicContact CG-CD1 4.18Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.44Å |
| 153 | T | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 102.8 Ų | 102.8 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | D149 E150 I151 K155 L156 A157 | D149-T153 VanDerWaalsContact O-CB 3.29Å; D149-T153 WeakPolarHBondContact O-CB 3.28Å; D149-T153 PolarHBondContact O-N 3.25Å; D149-T153 PolarHBondContact O-OG1 3.21Å; E150-T153 PolarHBondContact O-N 3.04Å; I151-T153 PolarHBondContact O-N 2.72Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 2.87Å; T153-L156 PolarHBondContact O-N 2.83Å; T153-A157 WeakPolarHBondContact O-CB 3.21Å; T153-A157 PolarHBondContact O-N 3.26Å |
| 154 | T | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | E150 I151 L152 A157 E158 | E150-T154 WeakPolarHBondContact O-CB 3.2Å; E150-T154 PolarHBondContact O-N 3.21Å; E150-T154 PolarHBondContact O-OG1 2.94Å; I151-T154 PolarHBondContact O-N 3Å; L152-T154 VanDerWaalsContact C-N 3.34Å; L152-T154 PolarHBondContact O-N 3.4Å; T154-A157 PolarHBondContact O-N 3.46Å; T154-E158 WeakPolarHBondContact O-CG 3.33Å; T154-E158 PolarHBondContact O-N 3.13Å |
| 155 | K | 98.8 | Very high | 98.5 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 178.5 | -69.9 | -43.3 | -175.7 | -166.8 | 0 | 113.3 | I151 L152 T153 E158 Q159 | I151-K155 HydrophobicContact CG2-CG 4.27Å; I151-K155 WeakPolarHBondContact O-CB 3.48Å; I151-K155 WeakPolarHBondContact O-CG 3.38Å; I151-K155 PolarHBondContact O-N 3.03Å; L152-K155 PolarHBondContact O-N 3.44Å; T153-K155 VanDerWaalsContact C-N 3.34Å; T153-K155 PolarHBondContact O-N 2.87Å; K155-E158 WeakPolarHBondContact CD-OE2 3.48Å; K155-E158 VanDerWaalsContact NZ-CD 3.3Å; K155-E158 IonicContact NZ-OE1 3.04Å; K155-E158 PolarHBondContact NZ-OE1 3.03Å; K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 2.91Å; K155-Q159 WeakPolarHBondContact O-CG 3.38Å; K155-Q159 PolarHBondContact O-N 3.26Å; K155-Q159 VanDerWaalsContact O-N 3.1Å |
| 156 | L | 98.8 | Very high | 98.5 | Very high | 98 Ų | 98 | 102.3 Ų | 102.3 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 175.1 | -70.7 | 173.5 | 0 | 0 | 0 | 111.7 | L152 T153 Q159 Y160 | L152-L156 HydrophobicContact CD1-CD1 4.15Å; L152-L156 HydrophobicContact CD1-CG 4.28Å; L152-L156 HydrophobicContact CG-CD1 4.18Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.44Å; T153-L156 PolarHBondContact O-N 2.83Å; L156-Q159 PolarHBondContact O-N 2.86Å; L156-Y160 PolarHBondContact O-N 2.87Å |
| 157 | A | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 100.2 Ų | 100.2 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T153 T154 Q159 Y160 D161 | T153-A157 WeakPolarHBondContact O-CB 3.21Å; T153-A157 PolarHBondContact O-N 3.26Å; T154-A157 PolarHBondContact O-N 3.46Å; A157-Q159 VanDerWaalsContact C-N 3.27Å; A157-Q159 PolarHBondContact O-N 3.41Å; A157-Y160 WeakPolarHBondContact O-CB 3.42Å; A157-Y160 PolarHBondContact O-N 2.91Å; A157-Y160 VanDerWaalsContact O-N 3.1Å; A157-D161 PolarHBondContact O-N 3.46Å |
| 158 | E | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.6 | -41.7 | 175.4 | -75.4 | 173.4 | -169.8 | 0 | 0 | 111.9 | T154 K155 A162 | T154-E158 WeakPolarHBondContact O-CG 3.33Å; T154-E158 PolarHBondContact O-N 3.13Å; K155-E158 WeakPolarHBondContact CD-OE2 3.48Å; K155-E158 VanDerWaalsContact NZ-CD 3.3Å; K155-E158 IonicContact NZ-OE1 3.04Å; K155-E158 PolarHBondContact NZ-OE1 3.03Å; K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 2.91Å; E158-A162 VanDerWaalsContact O-CB 3.32Å; E158-A162 WeakPolarHBondContact O-CB 3.4Å; E158-A162 PolarHBondContact O-N 3.39Å |
| 159 | Q | 98.6 | Very high | 98 | Very high | 137 Ų | 137 | 96.5 Ų | 96.5 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 176.4 | -76.2 | -173.3 | -10.4 | 0 | 0 | 112.2 | K155 L156 A157 A162 F163 | K155-Q159 WeakPolarHBondContact O-CG 3.38Å; K155-Q159 PolarHBondContact O-N 3.26Å; K155-Q159 VanDerWaalsContact O-N 3.1Å; L156-Q159 PolarHBondContact O-N 2.86Å; A157-Q159 VanDerWaalsContact C-N 3.27Å; A157-Q159 PolarHBondContact O-N 3.41Å; Q159-A162 PolarHBondContact O-N 2.99Å; Q159-F163 PolarHBondContact O-N 2.91Å |
| 160 | Y | 98.6 | Very high | 97.7 | Very high | 152 Ų | 152 | 96.6 Ų | 96.6 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -49.3 | 177 | 176.6 | -97.9 | 0 | 0 | 0 | 111.3 | L156 A157 A162 F163 V164 | L156-Y160 PolarHBondContact O-N 2.87Å; A157-Y160 WeakPolarHBondContact O-CB 3.42Å; A157-Y160 PolarHBondContact O-N 2.91Å; A157-Y160 VanDerWaalsContact O-N 3.1Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 3.44Å; Y160-F163 WeakPolarHBondContact O-CB 3.44Å; Y160-F163 PolarHBondContact O-N 3.24Å; Y160-F163 VanDerWaalsContact O-N 3.13Å; Y160-V164 HydrophobicContact CD1-CG2 4.18Å; Y160-V164 HydrophobicContact CD2-CG2 4.39Å; Y160-V164 HydrophobicContact CE1-CG2 3.71Å; Y160-V164 HydrophobicContact CE2-CG2 3.95Å; Y160-V164 WeakPolarHBondContact O-CG2 3.32Å; Y160-V164 PolarHBondContact O-N 2.9Å |
| 161 | D | 98.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 94.4 Ų | 94.4 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 179.6 | -73.3 | -13.2 | 0 | 0 | 0 | 111.5 | A157 F163 V164 K165 | A157-D161 PolarHBondContact O-N 3.46Å; D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 2.77Å; D161-V164 PolarHBondContact O-N 3.2Å; D161-K165 VanDerWaalsContact O-CB 3.22Å; D161-K165 WeakPolarHBondContact O-CB 3.42Å; D161-K165 PolarHBondContact O-N 3.05Å |
| 162 | A | 98.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E158 Q159 Y160 F166 | E158-A162 VanDerWaalsContact O-CB 3.32Å; E158-A162 WeakPolarHBondContact O-CB 3.4Å; E158-A162 PolarHBondContact O-N 3.39Å; Q159-A162 PolarHBondContact O-N 2.99Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 3.44Å; A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.41Å |
| 163 | F | 98 | Very high | 96.5 | Very high | 135 Ų | 135 | 97.6 Ų | 97.6 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 177.3 | 173.9 | -98.4 | 0 | 0 | 0 | 112.5 | Q159 Y160 D161 F166 T167 | Q159-F163 PolarHBondContact O-N 2.91Å; Y160-F163 WeakPolarHBondContact O-CB 3.44Å; Y160-F163 PolarHBondContact O-N 3.24Å; Y160-F163 VanDerWaalsContact O-N 3.13Å; D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 2.77Å; F163-F166 PolarHBondContact O-N 3.35Å; F163-T167 PolarHBondContact O-N 3.43Å; F163-T167 PolarHBondContact O-OG1 2.97Å |
| 164 | V | 98 | Very high | 95.8 | Very high | 63 Ų | 63 | 102.4 Ų | 102.4 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | Y160 D161 F166 T167 H168 | Y160-V164 HydrophobicContact CD1-CG2 4.18Å; Y160-V164 HydrophobicContact CD2-CG2 4.39Å; Y160-V164 HydrophobicContact CE1-CG2 3.71Å; Y160-V164 HydrophobicContact CE2-CG2 3.95Å; Y160-V164 WeakPolarHBondContact O-CG2 3.32Å; Y160-V164 PolarHBondContact O-N 2.9Å; D161-V164 PolarHBondContact O-N 3.2Å; V164-F166 PolarHBondContact O-N 3.47Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-H168 WeakPolarHBondContact O-CB 3.43Å; V164-H168 PolarHBondContact O-N 3.15Å |
| 165 | K | 97.6 | Very high | 94.9 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.5 | -46 | 176.8 | -176.5 | -179.2 | 177.2 | -177.2 | 0 | 111.6 | D161 T167 H168 D169 | D161-K165 VanDerWaalsContact O-CB 3.22Å; D161-K165 WeakPolarHBondContact O-CB 3.42Å; D161-K165 PolarHBondContact O-N 3.05Å; K165-T167 VanDerWaalsContact C-N 3.34Å; K165-T167 PolarHBondContact O-N 3.37Å; K165-H168 PolarHBondContact O-N 3.39Å; K165-D169 WeakPolarHBondContact O-CB 3.22Å; K165-D169 PolarHBondContact O-N 2.91Å |
| 166 | F | 97.6 | Very high | 93.3 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 176.9 | 175.5 | -98.5 | 0 | 0 | 0 | 111.2 | A162 F163 V164 H168 D169 Q170 | A162-F166 WeakPolarHBondContact O-CB 3.37Å; A162-F166 PolarHBondContact O-N 3.41Å; F163-F166 PolarHBondContact O-N 3.35Å; V164-F166 PolarHBondContact O-N 3.47Å; F166-H168 VanDerWaalsContact C-N 3.34Å; F166-H168 PolarHBondContact O-N 3.39Å; F166-D169 PolarHBondContact O-N 2.92Å; F166-Q170 HydrophobicContact CD1-CG 4.13Å; F166-Q170 HydrophobicContact CD2-CG 4.28Å; F166-Q170 HydrophobicContact CE1-CG 3.74Å; F166-Q170 HydrophobicContact CE2-CG 3.9Å; F166-Q170 HydrophobicContact CG-CG 4.4Å; F166-Q170 HydrophobicContact CZ-CG 3.62Å; F166-Q170 WeakPolarHBondContact O-CB 3.48Å; F166-Q170 WeakPolarHBondContact O-CG 3.32Å; F166-Q170 PolarHBondContact O-N 2.77Å |
| 167 | T | 95.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 106.5 Ų | 106.5 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | F163 V164 K165 Q170 L171 | F163-T167 PolarHBondContact O-N 3.43Å; F163-T167 PolarHBondContact O-OG1 2.97Å; V164-T167 PolarHBondContact O-N 2.89Å; K165-T167 VanDerWaalsContact C-N 3.34Å; K165-T167 PolarHBondContact O-N 3.37Å; T167-Q170 PolarHBondContact O-N 2.92Å; T167-L171 PolarHBondContact O-N 2.85Å |
| 168 | H | 95.1 | Very high | 89.5 | Confident | 105 Ų | 105 | 110.5 Ų | 110.5 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.7 | -175 | 74.3 | 0 | 0 | 0 | 111.9 | V164 K165 F166 Q170 L171 M172 | V164-H168 WeakPolarHBondContact O-CB 3.43Å; V164-H168 PolarHBondContact O-N 3.15Å; K165-H168 PolarHBondContact O-N 3.39Å; F166-H168 VanDerWaalsContact C-N 3.34Å; F166-H168 PolarHBondContact O-N 3.39Å; H168-Q170 VanDerWaalsContact C-N 3.3Å; H168-Q170 PolarHBondContact O-N 2.71Å; H168-L171 WeakPolarHBondContact O-CB 3.19Å; H168-L171 PolarHBondContact O-N 3.47Å; H168-L171 VanDerWaalsContact O-N 3.15Å; H168-M172 WeakPolarHBondContact O-CG 3.42Å; H168-M172 PolarHBondContact O-N 2.76Å |
| 169 | D | 95.1 | Very high | 87.6 | Confident | 59 Ų | 59 | 111.2 Ų | 111.2 | 32% | 0.316 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -34.7 | 179 | -69.3 | -10.2 | 0 | 0 | 0 | 111.8 | K165 F166 R173 | K165-D169 WeakPolarHBondContact O-CB 3.22Å; K165-D169 PolarHBondContact O-N 2.91Å; F166-D169 PolarHBondContact O-N 2.92Å; D169-R173 WeakPolarHBondContact O-CB 3.17Å; D169-R173 PolarHBondContact O-N 3.1Å; D169-R173 PolarHBondContact O-NE 3.37Å |
| 170 | Q | 92.7 | Very high | 85.7 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 38% | 0.383 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 174.6 | -72.4 | -64 | 92.4 | 0 | 0 | 111.9 | F166 T167 H168 R174 | F166-Q170 HydrophobicContact CD1-CG 4.13Å; F166-Q170 HydrophobicContact CD2-CG 4.28Å; F166-Q170 HydrophobicContact CE1-CG 3.74Å; F166-Q170 HydrophobicContact CE2-CG 3.9Å; F166-Q170 HydrophobicContact CG-CG 4.4Å; F166-Q170 HydrophobicContact CZ-CG 3.62Å; F166-Q170 WeakPolarHBondContact O-CB 3.48Å; F166-Q170 WeakPolarHBondContact O-CG 3.32Å; F166-Q170 PolarHBondContact O-N 2.77Å; T167-Q170 PolarHBondContact O-N 2.92Å; H168-Q170 VanDerWaalsContact C-N 3.3Å; H168-Q170 PolarHBondContact O-N 2.71Å; Q170-R174 PolarHBondContact O-N 3.44Å; Q170-R174 VanDerWaalsContact O-N 3.1Å |
| 171 | L | 92.8 | Very high | 83.7 | Confident | 88 Ų | 88 | 106.2 Ų | 106.2 | 46% | 0.461 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.7 | -47.5 | 174.7 | -172 | 73.4 | 0 | 0 | 0 | 110.7 | T167 H168 R173 R174 F175 | T167-L171 PolarHBondContact O-N 2.85Å; H168-L171 WeakPolarHBondContact O-CB 3.19Å; H168-L171 PolarHBondContact O-N 3.47Å; H168-L171 VanDerWaalsContact O-N 3.15Å; L171-R173 PolarHBondContact O-N 3.39Å; L171-R174 PolarHBondContact O-N 3.06Å; L171-F175 HydrophobicContact CD1-CD2 3.47Å; L171-F175 VanDerWaalsContact CD1-CD2 3.47Å; L171-F175 HydrophobicContact CD1-CE2 3.64Å; L171-F175 HydrophobicContact CG-CD2 4.13Å; L171-F175 WeakPolarHBondContact O-CD2 3.41Å; L171-F175 PolarHBondContact O-N 2.8Å |
| 172 | M | 89.2 | Confident | 81.9 | Confident | 89 Ų | 89 | 111.9 Ų | 111.9 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -37 | 179.6 | -68.4 | -59.5 | 95.3 | 0 | 0 | 112.7 | H168 G176 | H168-M172 WeakPolarHBondContact O-CG 3.42Å; H168-M172 PolarHBondContact O-N 2.76Å; M172-G176 WeakPolarHBondContact O-CA 3.41Å; M172-G176 PolarHBondContact O-N 3.19Å |
| 173 | R | 90 | Very high | 79.8 | Confident | 154 Ų | 154 | 114.7 Ų | 114.7 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -39.1 | 171.4 | -92.2 | 177.3 | -71.9 | -140.2 | -1.6 | 113.3 | D169 L171 | D169-R173 WeakPolarHBondContact O-CB 3.17Å; D169-R173 PolarHBondContact O-N 3.1Å; D169-R173 PolarHBondContact O-NE 3.37Å; L171-R173 PolarHBondContact O-N 3.39Å |
| 174 | R | 84.5 | Confident | 77.6 | Confident | 194 Ų | 194 | 117.3 Ų | 117.3 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.2 | -37.1 | 179.5 | -85.9 | -162.3 | -172.8 | -158 | 4.5 | 113.6 | Q170 L171 | Q170-R174 PolarHBondContact O-N 3.44Å; Q170-R174 VanDerWaalsContact O-N 3.1Å; L171-R174 PolarHBondContact O-N 3.06Å |
| 175 | F | 79 | Confident | 76.6 | Confident | 116 Ų | 116 | 120 Ų | 120 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -119.5 | -12.4 | -168.2 | -62.7 | -78.5 | 0 | 0 | 0 | 114.4 | L171 | L171-F175 HydrophobicContact CD1-CD2 3.47Å; L171-F175 VanDerWaalsContact CD1-CD2 3.47Å; L171-F175 HydrophobicContact CD1-CE2 3.64Å; L171-F175 HydrophobicContact CG-CD2 4.13Å; L171-F175 WeakPolarHBondContact O-CD2 3.41Å; L171-F175 PolarHBondContact O-N 2.8Å |
| 176 | G | 65.8 | Low | 75.5 | Confident | 59 Ų | 59 | 119.1 Ų | 119.1 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -77.1 | -21.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M172 | M172-G176 WeakPolarHBondContact O-CA 3.41Å; M172-G176 PolarHBondContact O-N 3.19Å |
| 177 | E | 59.8 | Low | 74.3 | Confident | 176 Ų | 176 | 119.1 Ų | 119.1 | 82% | 0.822 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -98.2 | -6.8 | 175.6 | -105.3 | 174.2 | 178 | 0 | 0 | 113.8 | P179 | E177-P179 VanDerWaalsContact O-CD 3.23Å; E177-P179 WeakPolarHBondContact O-CD 3.23Å |
| 178 | Q | 57.9 | Low | 73 | Confident | 132 Ų | 132 | 122.1 Ų | 122.1 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -74.2 | 116.5 | 169.3 | -91.4 | -163.4 | -6.5 | 0 | 0 | 108.5 | A180 | Q178-A180 PolarHBondContact O-N 3.17Š|
| 179 | P | 57.4 | Low | 71.7 | Confident | 108 Ų | 108 | 123.2 Ų | 123.2 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | trans | -55.8 | 132.4 | 163.6 | 24.8 | -31 | 0 | 0 | 0 | 106.7 | E177 S181 | E177-P179 VanDerWaalsContact O-CD 3.23Å; E177-P179 WeakPolarHBondContact O-CD 3.23Å; P179-S181 VanDerWaalsContact C-N 3.35Å; P179-S181 PolarHBondContact O-N 3.45Å | ||
| 180 | A | 58.2 | Low | 70.1 | Confident | 81 Ų | 81 | 127.5 Ų | 127.5 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -51.1 | 103.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q178 Y182 | Q178-A180 PolarHBondContact O-N 3.17Å; A180-Y182 HydrophobicContact CB-CD2 4.26Å; A180-Y182 PolarHBondContact O-N 3.25Å | ||
| 181 | S | 57.9 | Low | 68.5 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -71.2 | 87.1 | -178.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | P179 V183 | P179-S181 VanDerWaalsContact C-N 3.35Å; P179-S181 PolarHBondContact O-N 3.45Å; S181-V183 PolarHBondContact O-N 2.98Å | ||
| 182 | Y | 59.6 | Low | 66.6 | Low | 220 Ų | 220 | 134 Ų | 134 | 86% | 0.863 | 72% | 0.717 | S | S | * | * | trans | -80.8 | 47.2 | 176.3 | -112.7 | -83.6 | 0 | 0 | 0 | 110.8 | A180 | A180-Y182 HydrophobicContact CB-CD2 4.26Å; A180-Y182 PolarHBondContact O-N 3.25Å | ||
| 183 | V | 53.9 | Low | 64.7 | Low | 120 Ų | 120 | 137.8 Ų | 137.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -147.7 | 112.8 | 167.2 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | S181 | S181-V183 PolarHBondContact O-N 2.98Š| ||
| 184 | S | 52.8 | Low | 62.4 | Low | 189 Ų | 189 | 136.3 Ų | 136.3 | 100% | 1.322 | 75% | 0.754 | S | S | * | * | trans | -88.9 | 0 | 152.6 | -60.7 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 184 of 184 residues in 37.9 ms
(Link to these results)