| 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 | 34.1 | Very low | 37.6 | Very low | 236 Ų | 236 | 145.5 Ų | 145.5 | 100% | 1.163 | 80% | 0.798 | S | S | * | * | 0 | 88.4 | 0 | -70.2 | 150.6 | 114.6 | 0 | 0 | 105.9 | |||||
| 2 | S | 35.4 | Very low | 38.6 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | 89.1 | 113.1 | 71.6 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | L | 36.3 | Very low | 39.1 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 60 | 108.1 | 141.9 | -62.2 | 170 | 0 | 0 | 0 | 116.8 | ||||
| 4 | Q | 40.7 | Very low | 39.5 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 66.4 | 108.3 | 84 | -173.3 | 158.1 | 23.1 | 0 | 0 | 112.8 | |||||
| 5 | K | 35.4 | Very low | 40 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -174 | 105.6 | 146.3 | -131 | 158.2 | 170.2 | 170.1 | 0 | 109.9 | ||||
| 6 | D | 34 | Very low | 40.4 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | 81.1 | 121.1 | 96.6 | -67 | -17.7 | 0 | 0 | 0 | 112.6 | |||||
| 7 | A | 38.7 | Very low | 41.6 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 159.7 | 95.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 8 | S | 36.5 | Very low | 42.1 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 59.6 | 133 | 85.8 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 9 | S | 39.2 | Very low | 42.6 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | 76 | 81.2 | 162.4 | 70.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 10 | D | 34.7 | Very low | 43.2 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 99% | 0.989 | 77% | 0.767 | S | S | * | * | -100.1 | 52.4 | 127.3 | -78.1 | -37.6 | 0 | 0 | 0 | 108.3 | |||||
| 11 | E | 49 | Very low | 43.2 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -110.1 | 133.4 | 159.5 | -173.3 | 156.9 | 94.2 | 0 | 0 | 106 | ||||
| 12 | S | 49.5 | Very low | 43.9 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | trans | 85.9 | 65.7 | 167.5 | -154.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 13 | L | 44.2 | Very low | 44.4 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -125.5 | 8.3 | 141 | -70.2 | 177.3 | 0 | 0 | 0 | 113.5 | G15 | L13-G15 PolarHBondContact O-N 3.43Š|
| 14 | Q | 44.8 | Very low | 44.5 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 16.9 | 165.5 | -70.2 | -175.4 | -10.2 | 0 | 0 | 112.8 | ||
| 15 | G | 48.1 | Very low | 44.6 | Very low | 50 Ų | 50 | 136 Ų | 136 | 52% | 0.515 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | 14 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L13 W17 | L13-G15 PolarHBondContact O-N 3.43Å; G15-W17 PolarHBondContact O-N 3.4Å; G15-W17 VanDerWaalsContact O-N 3.16Å |
| 16 | S | 46.4 | Very low | 44.7 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 103 | 177 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | V18 | S16-V18 PolarHBondContact O-N 3.2Š| ||
| 17 | W | 59.6 | Low | 44.9 | Very low | 252 Ų | 252 | 130 Ų | 130 | 96% | 0.955 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -53.9 | 96.4 | 176.9 | -71.2 | 89 | 0 | 0 | 0 | 111.6 | G15 | G15-W17 PolarHBondContact O-N 3.4Å; G15-W17 VanDerWaalsContact O-N 3.16Å |
| 18 | V | 51.7 | Low | 45.2 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | 103.1 | 88.7 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | S16 L20 | S16-V18 PolarHBondContact O-N 3.2Å; V18-L20 HydrophobicContact CG1-CB 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 3.57Å; V18-L20 PolarHBondContact O-N 3.45Å | ||
| 19 | E | 52 | Low | 45.2 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | -79.7 | 103.1 | 160.2 | -175.4 | 156.5 | -157.4 | 0 | 0 | 108.6 | ||||
| 20 | L | 53.9 | Low | 45.2 | Very low | 122 Ų | 122 | 136 Ų | 136 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -97.2 | 100.9 | 175.7 | -89.2 | 160.7 | 0 | 0 | 0 | 109.7 | V18 F22 | V18-L20 HydrophobicContact CG1-CB 4.49Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 3.57Å; V18-L20 PolarHBondContact O-N 3.45Å; L20-F22 HydrophobicContact CB-CD2 4.48Å; L20-F22 HydrophobicContact CB-CE2 4.2Å; L20-F22 PolarHBondContact O-N 2.84Å | ||
| 21 | H | 43.7 | Very low | 45.5 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -69.5 | 106 | 167 | -85.6 | -94.6 | 0 | 0 | 0 | 110.2 | S23 | H21-S23 PolarHBondContact O-N 3.16Š| ||
| 22 | F | 48.6 | Very low | 44.7 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -86.7 | 95.8 | 160.7 | -77 | -86.7 | 0 | 0 | 0 | 108.6 | L20 | L20-F22 HydrophobicContact CB-CD2 4.48Å; L20-F22 HydrophobicContact CB-CE2 4.2Å; L20-F22 PolarHBondContact O-N 2.84Å | ||
| 23 | S | 44.7 | Very low | 44.1 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -82.2 | 114.8 | 168.5 | -69.7 | 0 | 0 | 0 | 0 | 109.7 | H21 | H21-S23 PolarHBondContact O-N 3.16Š| ||
| 24 | G | 39.9 | Very low | 43.6 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -74.4 | 141.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | T | 42.9 | Very low | 43.6 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | 33.7 | 120.4 | 149.5 | 51.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 26 | G | 35.9 | Very low | 43.2 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 154.8 | 102.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 27 | S | 39.4 | Very low | 42.8 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 42.8 | 117.9 | 140.3 | 50.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 28 | Q | 45 | Very low | 41.9 | Very low | 203 Ų | 203 | 137 Ų | 137 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | trans | 62.2 | 113.8 | 130.4 | -149.7 | 173.5 | 105.5 | 0 | 0 | 118.5 | ||||
| 29 | G | 35.3 | Very low | 41.4 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 169.7 | 127.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 30 | T | 40.3 | Very low | 41.1 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -66.9 | 153.1 | -173.4 | 49.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 31 | S | 40.3 | Very low | 40.9 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 64 | 106.2 | 149.5 | -58.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 32 | H | 33.2 | Very low | 41.4 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | 162.6 | 133.2 | 112.6 | -101.3 | -87.1 | 0 | 0 | 0 | 111.3 | |||||
| 33 | R | 35.9 | Very low | 41.5 | Very low | 241 Ų | 241 | 126.7 Ų | 126.7 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | 62.5 | 109.3 | 135.4 | -158.1 | 177.5 | -154.5 | -97.3 | 2 | 118.4 | ||||
| 34 | G | 34.2 | Very low | 42.1 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 112 | 114.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 35 | S | 45.1 | Very low | 43 | Very low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | 45.7 | 86 | 137.8 | -173.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 36 | Q | 39.8 | Very low | 43.9 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | -150.8 | 83 | 151.4 | -157.2 | 141.8 | 17.1 | 0 | 0 | 110.4 | H38 | Q36-H38 VanDerWaalsContact C-N 3.31Å; Q36-H38 PolarHBondContact O-N 2.91Å | ||
| 37 | E | 37.7 | Very low | 45.4 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -67.4 | 99.3 | 159.4 | -66 | -131.1 | 150.7 | 0 | 0 | 107.2 | I39 | E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.01Å | ||
| 38 | H | 40.7 | Very low | 47.2 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | -58.6 | 95.4 | 162.2 | -102.9 | -104.1 | 0 | 0 | 0 | 108 | Q36 P40 | Q36-H38 VanDerWaalsContact C-N 3.31Å; Q36-H38 PolarHBondContact O-N 2.91Å; H38-P40 WeakPolarHBondContact O-CD 3.36Å | ||
| 39 | I | 41 | Very low | 48.5 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 59% | 0.585 | 67% | 0.668 | S | S | * | * | trans | -78.2 | 118.6 | 165.7 | -59.7 | 176.9 | 0 | 0 | 0 | 106.4 | E37 T41 | E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.01Å; I39-T41 PolarHBondContact O-N 3.28Å | ||
| 40 | P | 45.6 | Very low | 50.5 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | trans | -65.8 | 106.6 | 170.1 | 24.5 | -28.6 | 0 | 0 | 0 | 108.5 | H38 S42 | H38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-S42 PolarHBondContact O-N 2.99Å | ||
| 41 | T | 50 | Low | 52.3 | Low | 108 Ų | 108 | 117 Ų | 117 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -8.3 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | I39 S43 Q44 | I39-T41 PolarHBondContact O-N 3.28Å; T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.35Å; T41-Q44 PolarHBondContact O-N 3.35Å |
| 42 | S | 53.6 | Low | 54.4 | Low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.2 | -28.6 | -176.2 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | P40 | P40-S42 PolarHBondContact O-N 2.99Å |
| 43 | S | 51.9 | Low | 56.6 | Low | 95 Ų | 95 | 115.1 Ų | 115.1 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.1 | -13.1 | -179.6 | 71.2 | 0 | 0 | 0 | 0 | 114.3 | T41 | T41-S43 VanDerWaalsContact C-N 3.34Å; T41-S43 PolarHBondContact O-N 3.35Å |
| 44 | Q | 56.2 | Low | 58.5 | Low | 95 Ų | 95 | 108.4 Ų | 108.4 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -88.4 | -29 | 178.1 | -89.1 | 171.8 | 33.8 | 0 | 0 | 112.7 | T41 G46 D47 V48 | T41-Q44 PolarHBondContact O-N 3.35Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.09Å; Q44-D47 PolarHBondContact O-N 2.94Å; Q44-D47 VanDerWaalsContact O-N 3.14Å; Q44-V48 PolarHBondContact O-N 2.81Å |
| 45 | Q | 58.1 | Low | 60.6 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -55.7 | -44.2 | 177.6 | -172.9 | 68.4 | 20.1 | 0 | 0 | 111.9 | D47 V48 E49 | Q45-D47 VanDerWaalsContact C-N 3.32Å; Q45-D47 PolarHBondContact O-N 2.78Å; Q45-V48 WeakPolarHBondContact O-CG2 3.28Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.41Å; Q45-E49 PolarHBondContact NE2-OE1 3.14Å; Q45-E49 WeakPolarHBondContact O-CB 3.13Å; Q45-E49 VanDerWaalsContact O-CG 3.28Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.35Å; Q45-E49 VanDerWaalsContact O-N 3.09Å |
| 46 | G | 61.7 | Low | 62 | Low | 45 Ų | 45 | 109.1 Ų | 109.1 | 46% | 0.464 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -28.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q44 K50 | Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.09Å; G46-K50 VanDerWaalsContact O-CB 3.24Å; G46-K50 WeakPolarHBondContact O-CB 3.36Å; G46-K50 PolarHBondContact O-N 3.36Å; G46-K50 VanDerWaalsContact O-N 3.09Å |
| 47 | D | 69.3 | Low | 63.4 | Low | 89 Ų | 89 | 107.6 Ų | 107.6 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -80.6 | -34.2 | -177.6 | -152.5 | 25.3 | 0 | 0 | 0 | 111.7 | Q44 Q45 K50 M51 | Q44-D47 PolarHBondContact O-N 2.94Å; Q44-D47 VanDerWaalsContact O-N 3.14Å; Q45-D47 VanDerWaalsContact C-N 3.32Å; Q45-D47 PolarHBondContact O-N 2.78Å; D47-K50 IonicContact OD1-NZ 2.65Å; D47-K50 PolarHBondContact OD1-NZ 3.01Å; D47-M51 PolarHBondContact O-N 3.07Å; D47-M51 VanDerWaalsContact O-N 3.09Å |
| 48 | V | 76.4 | Confident | 64.5 | Low | 76 Ų | 76 | 105.6 Ų | 105.6 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.8 | -42.2 | 172.9 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | Q44 Q45 K50 M51 L52 | Q44-V48 PolarHBondContact O-N 2.81Å; Q45-V48 WeakPolarHBondContact O-CG2 3.28Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.33Å; V48-M51 PolarHBondContact O-N 2.65Å; V48-M51 VanDerWaalsContact O-N 3.15Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.47Å |
| 49 | E | 71.6 | Confident | 65.5 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 44% | 0.435 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.4 | -42.6 | 175.6 | -73.8 | 174.2 | -176.6 | 0 | 0 | 111 | Q45 M51 L52 L53 | Q45-E49 WeakPolarHBondContact CG-OE1 3.41Å; Q45-E49 PolarHBondContact NE2-OE1 3.14Å; Q45-E49 WeakPolarHBondContact O-CB 3.13Å; Q45-E49 VanDerWaalsContact O-CG 3.28Å; Q45-E49 WeakPolarHBondContact O-CG 3.43Å; Q45-E49 PolarHBondContact O-N 3.35Å; Q45-E49 VanDerWaalsContact O-N 3.09Å; E49-M51 PolarHBondContact O-N 2.75Å; E49-L52 PolarHBondContact O-N 2.77Å; E49-L53 WeakPolarHBondContact O-CB 2.99Å; E49-L53 WeakPolarHBondContact O-CG 3.18Å; E49-L53 PolarHBondContact O-N 3.48Å |
| 50 | K | 77.9 | Confident | 66.3 | Low | 106 Ų | 106 | 99.3 Ų | 99.3 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -55.7 | -47.6 | 171.2 | 149.1 | 175.9 | 159.3 | -78.2 | 0 | 112.4 | G46 D47 V48 L53 E54 | G46-K50 VanDerWaalsContact O-CB 3.24Å; G46-K50 WeakPolarHBondContact O-CB 3.36Å; G46-K50 PolarHBondContact O-N 3.36Å; G46-K50 VanDerWaalsContact O-N 3.09Å; D47-K50 IonicContact OD1-NZ 2.65Å; D47-K50 PolarHBondContact OD1-NZ 3.01Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.33Å; K50-L53 PolarHBondContact O-N 3.15Å; K50-E54 WeakPolarHBondContact O-CB 3.24Å; K50-E54 PolarHBondContact O-N 2.83Å |
| 51 | M | 78.9 | Confident | 66.8 | Low | 107 Ų | 107 | 104.1 Ų | 104.1 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.1 | -38.3 | -177.6 | -168.2 | 177.2 | -74.2 | 0 | 0 | 111.4 | D47 V48 E49 E54 A55 | D47-M51 PolarHBondContact O-N 3.07Å; D47-M51 VanDerWaalsContact O-N 3.09Å; V48-M51 PolarHBondContact O-N 2.65Å; V48-M51 VanDerWaalsContact O-N 3.15Å; E49-M51 PolarHBondContact O-N 2.75Å; M51-E54 WeakPolarHBondContact O-CG 3.34Å; M51-E54 PolarHBondContact O-N 3.42Å; M51-A55 PolarHBondContact O-N 2.78Å |
| 52 | L | 82.8 | Confident | 66.8 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.8 | -42 | 173.9 | -68.5 | 171.7 | 0 | 0 | 0 | 111.7 | V48 E49 A55 Q56 | V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-L52 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 2.77Å; L52-A55 PolarHBondContact O-N 3.16Å; L52-Q56 PolarHBondContact O-N 3.26Å |
| 53 | L | 79.6 | Confident | 66.8 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 174.7 | -69.3 | 169.8 | 0 | 0 | 0 | 112.2 | E49 K50 Q56 H57 | E49-L53 WeakPolarHBondContact O-CB 2.99Å; E49-L53 WeakPolarHBondContact O-CG 3.18Å; E49-L53 PolarHBondContact O-N 3.48Å; K50-L53 PolarHBondContact O-N 3.15Å; L53-Q56 PolarHBondContact O-N 2.98Å; L53-H57 PolarHBondContact O-N 3.49Å |
| 54 | E | 76.9 | Confident | 66.9 | Low | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -43.9 | 176.8 | 110.7 | -176.4 | 175 | 0 | 0 | 111.8 | K50 M51 Q56 H57 E58 | K50-E54 WeakPolarHBondContact O-CB 3.24Å; K50-E54 PolarHBondContact O-N 2.83Å; M51-E54 WeakPolarHBondContact O-CG 3.34Å; M51-E54 PolarHBondContact O-N 3.42Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 3.27Å; E54-H57 PolarHBondContact O-N 2.93Å; E54-H57 VanDerWaalsContact O-N 3.08Å; E54-E58 PolarHBondContact O-N 2.88Å |
| 55 | A | 76.9 | Confident | 66.9 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.7 | -38.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M51 L52 S59 | M51-A55 PolarHBondContact O-N 2.78Å; L52-A55 PolarHBondContact O-N 3.16Å; A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.06Å; A55-S59 VanDerWaalsContact O-N 3.15Å |
| 56 | Q | 75.9 | Confident | 66.6 | Low | 150 Ų | 150 | 108.1 Ų | 108.1 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 174.6 | -169.5 | 173 | -32.9 | 0 | 0 | 111.8 | L52 L53 E54 S59 | L52-Q56 PolarHBondContact O-N 3.26Å; L53-Q56 PolarHBondContact O-N 2.98Å; E54-Q56 VanDerWaalsContact C-N 3.27Å; E54-Q56 PolarHBondContact O-N 3.27Å; Q56-S59 WeakPolarHBondContact O-CB 3.27Å; Q56-S59 PolarHBondContact O-N 3.41Å |
| 57 | H | 68.4 | Low | 65.9 | Low | 132 Ų | 132 | 110.7 Ų | 110.7 | 61% | 0.611 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.3 | -34.4 | -179.7 | -162.4 | -154.2 | 0 | 0 | 0 | 112.9 | L53 E54 G60 | L53-H57 PolarHBondContact O-N 3.49Å; E54-H57 PolarHBondContact O-N 2.93Å; E54-H57 VanDerWaalsContact O-N 3.08Å; H57-G60 PolarHBondContact O-N 2.9Å |
| 58 | E | 61.8 | Low | 65.2 | Low | 139 Ų | 139 | 111.2 Ų | 111.2 | 65% | 0.65 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.7 | -36.3 | 174.1 | -173.7 | 171.1 | -177.4 | 0 | 0 | 111.8 | E54 G60 R61 S62 | E54-E58 PolarHBondContact O-N 2.88Å; E58-G60 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 3.2Å; E58-R61 VanDerWaalsContact O-N 3.13Å; E58-S62 PolarHBondContact O-N 2.92Å |
| 59 | S | 60.3 | Low | 63.8 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.1 | -33 | 177.2 | -156 | 0 | 0 | 0 | 0 | 112.7 | A55 Q56 | A55-S59 WeakPolarHBondContact O-CB 3.4Å; A55-S59 PolarHBondContact O-N 3.06Å; A55-S59 VanDerWaalsContact O-N 3.15Å; Q56-S59 WeakPolarHBondContact O-CB 3.27Å; Q56-S59 PolarHBondContact O-N 3.41Å |
| 60 | G | 58.2 | Low | 62.3 | Low | 53 Ų | 53 | 115.7 Ų | 115.7 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -81.3 | -20.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H57 E58 S63 | H57-G60 PolarHBondContact O-N 2.9Å; E58-G60 PolarHBondContact O-N 2.98Å; G60-S63 PolarHBondContact O-OG 3.47Å |
| 61 | R | 56.8 | Low | 60.9 | Low | 194 Ų | 194 | 118.6 Ų | 118.6 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.4 | -14.8 | -176.3 | -63.8 | -179.4 | 75.7 | -179.4 | 4.7 | 113.6 | E58 S63 | E58-R61 PolarHBondContact O-N 3.2Å; E58-R61 VanDerWaalsContact O-N 3.13Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.45Å |
| 62 | S | 49.4 | Very low | 59.2 | Low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -1.3 | -178.1 | -162.7 | 0 | 0 | 0 | 0 | 114.3 | E58 | E58-S62 PolarHBondContact O-N 2.92Š|
| 63 | S | 54.5 | Low | 57.4 | Low | 104 Ų | 104 | 117.2 Ų | 117.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -0.7 | -170.5 | 59.9 | 0 | 0 | 0 | 0 | 116.5 | G60 R61 | G60-S63 PolarHBondContact O-OG 3.47Å; R61-S63 VanDerWaalsContact C-N 3.29Å; R61-S63 PolarHBondContact O-N 3.45Å |
| 64 | S | 53.1 | Low | 55.6 | Low | 98 Ų | 98 | 119.7 Ų | 119.7 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -135.9 | 15 | -165.2 | 67.4 | 0 | 0 | 0 | 0 | 119.4 | ||
| 65 | K | 56 | Low | 54 | Low | 214 Ų | 214 | 125.3 Ų | 125.3 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -164.5 | 91.1 | 162.5 | -124.7 | 168.1 | 167.6 | 179.2 | 0 | 114 | ||
| 66 | G | 53.2 | Low | 52.6 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | 82.3 | 69.9 | 154 | 0 | 0 | 0 | 0 | 0 | 117.6 | S68 | G66-S68 PolarHBondContact O-N 2.85Š| ||
| 67 | S | 47 | Very low | 51.1 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -92 | 78.8 | 157.6 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 68 | S | 52.6 | Low | 49.8 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -86.9 | 124.6 | 164.9 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | G66 | G66-S68 PolarHBondContact O-N 2.85Š| ||
| 69 | Q | 47.5 | Very low | 49 | Very low | 170 Ų | 170 | 123 Ų | 123 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | 73.5 | 76.5 | -175.3 | -92.8 | 96.4 | 22.1 | 0 | 0 | 116.8 | ||||
| 70 | C | 41.5 | Very low | 48.5 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | trans | -91.6 | 108.4 | 141.1 | -67.7 | 0 | 0 | 0 | 0 | 107.8 | S72 | C70-S72 PolarHBondContact O-N 3.36Š| ||
| 71 | N | 47.7 | Very low | 47.9 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -77.6 | 58.3 | 158.7 | -89.4 | -44.4 | 0 | 0 | 0 | 108.8 | ||||
| 72 | S | 42.7 | Very low | 47.3 | Very low | 83 Ų | 83 | 129 Ų | 129 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | trans | -98.8 | 134.7 | 168.1 | -53.4 | 0 | 0 | 0 | 0 | 106.5 | C70 L74 | C70-S72 PolarHBondContact O-N 3.36Å; S72-L74 PolarHBondContact O-N 3.46Å | ||
| 73 | P | 44.7 | Very low | 47.1 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -51.9 | 138.7 | 172 | 21.6 | -30.1 | 0 | 0 | 0 | 108.5 | R75 | P73-R75 PolarHBondContact O-N 2.79Š| ||
| 74 | L | 43 | Very low | 46.7 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | trans | -40.5 | 117.2 | -178.1 | -94.6 | 72.9 | 0 | 0 | 0 | 108.6 | S72 S76 | S72-L74 PolarHBondContact O-N 3.46Å; L74-S76 PolarHBondContact O-N 3.3Å | ||
| 75 | R | 43.7 | Very low | 46 | Very low | 217 Ų | 217 | 140.1 Ų | 140.1 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | -50 | 109 | 176.5 | -175.5 | 173.5 | -179.5 | 93.3 | -1 | 107 | P73 Q77 | P73-R75 PolarHBondContact O-N 2.79Å; R75-Q77 PolarHBondContact O-N 3.06Å; R75-Q77 VanDerWaalsContact O-N 3.12Å | ||
| 76 | S | 46.4 | Very low | 45.1 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 50% | 0.497 | 75% | 0.751 | S | S | . | * | trans | -55.1 | 121.3 | 170.5 | 41.3 | 0 | 0 | 0 | 0 | 106.1 | L74 T78 | L74-S76 PolarHBondContact O-N 3.3Å; S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 3.35Å | ||
| 77 | Q | 45.4 | Very low | 44.9 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -54.8 | 103.9 | 174.3 | -73.1 | 178.3 | 21.5 | 0 | 0 | 106.9 | R75 P79 | R75-Q77 PolarHBondContact O-N 3.06Å; R75-Q77 VanDerWaalsContact O-N 3.12Å; Q77-P79 WeakPolarHBondContact O-CD 3.42Å | ||
| 78 | T | 41.1 | Very low | 44.7 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 49% | 0.485 | 75% | 0.754 | S | S | . | * | trans | -65.2 | 122.9 | 174 | -35.3 | 0 | 0 | 0 | 0 | 105.7 | S76 L80 | S76-T78 VanDerWaalsContact C-N 3.33Å; S76-T78 PolarHBondContact O-N 3.35Å; T78-L80 HydrophobicContact CG2-CB 4.49Å; T78-L80 HydrophobicContact CG2-CD1 4.09Å; T78-L80 HydrophobicContact CG2-CG 4.13Å; T78-L80 PolarHBondContact O-N 2.94Å | ||
| 79 | P | 45.3 | Very low | 44.4 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 62% | 0.623 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 47.4 | -176.3 | 33.3 | -35.4 | 0 | 0 | 0 | 111 | Q77 L107 | Q77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-L107 HydrophobicContact CB-CD2 4.16Å; P79-L107 HydrophobicContact CG-CD2 4.24Å |
| 80 | L | 49 | Very low | 44.1 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 0.1 | -179.9 | -69.4 | -178.2 | 0 | 0 | 0 | 113.5 | T78 | T78-L80 HydrophobicContact CG2-CB 4.49Å; T78-L80 HydrophobicContact CG2-CD1 4.09Å; T78-L80 HydrophobicContact CG2-CG 4.13Å; T78-L80 PolarHBondContact O-N 2.94Å |
| 81 | L | 45.7 | Very low | 44.7 | Very low | 173 Ų | 173 | 140 Ų | 140 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -101.2 | 8.8 | 175.3 | -78.5 | 176.4 | 0 | 0 | 0 | 114.6 | ||
| 82 | L | 44.8 | Very low | 45 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -102.9 | 4.6 | 174.4 | -155.9 | 68.4 | 0 | 0 | 0 | 113.5 | ||
| 83 | W | 45.1 | Very low | 46.1 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99.8 | -3.6 | -178.1 | -154.3 | -92.7 | 0 | 0 | 0 | 114.5 | ||
| 84 | R | 45.8 | Very low | 47 | Very low | 242 Ų | 242 | 135.1 Ų | 135.1 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -102.8 | 89.1 | 178.2 | -171.1 | 160.6 | -74.4 | -157.6 | -2.4 | 111.7 | ||
| 85 | G | 37.2 | Very low | 48 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | 69.9 | 77.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 86 | S | 37.8 | Very low | 49.2 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | trans | -93.5 | 83.8 | 144 | -169.8 | 0 | 0 | 0 | 0 | 107.2 | G88 | S86-G88 PolarHBondContact O-N 3.37Š| ||
| 87 | E | 49.3 | Very low | 50.2 | Low | 196 Ų | 196 | 128.7 Ų | 128.7 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | trans | -84.7 | 100.7 | 167.9 | -65.6 | -173.1 | 148.2 | 0 | 0 | 107.3 | ||||
| 88 | G | 43 | Very low | 51.6 | Low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | 171.2 | 73.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S86 | S86-G88 PolarHBondContact O-N 3.37Š| ||
| 89 | N | 45.2 | Very low | 53.2 | Low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | 54.4 | 97.9 | 142.1 | -162.7 | 81.6 | 0 | 0 | 0 | 118.6 | ||||
| 90 | S | 43.1 | Very low | 54.7 | Low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | 154.5 | 133.5 | 117.4 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | Q92 | S90-Q92 PolarHBondContact O-N 3.45Š| |||
| 91 | S | 53.1 | Low | 56 | Low | 120 Ų | 120 | 130.5 Ų | 130.5 | 84% | 0.839 | 67% | 0.67 | S | S | * | * | trans | 32.1 | 77.5 | 160.5 | -55.4 | 0 | 0 | 0 | 0 | 116.8 | S93 | S91-S93 PolarHBondContact O-N 3.49Š| ||
| 92 | Q | 54.3 | Low | 57.7 | Low | 97 Ų | 97 | 130.5 Ų | 130.5 | 45% | 0.453 | 66% | 0.658 | S | S | . | * | trans | -67.2 | 101 | 168.7 | -166.2 | 174.4 | -14.2 | 0 | 0 | 108.1 | S90 D96 F97 | S90-Q92 PolarHBondContact O-N 3.45Å; Q92-D96 HydrophobicContact CG-CB 4.21Å; Q92-F97 HydrophobicContact CB-CE2 4.34Å; Q92-F97 HydrophobicContact CG-CD2 4.01Å; Q92-F97 HydrophobicContact CG-CE2 3.63Å; Q92-F97 HydrophobicContact CG-CZ 4.42Å | ||
| 93 | S | 65.8 | Low | 59.3 | Low | 39 Ų | 39 | 128.2 Ų | 128.2 | 27% | 0.273 | 64% | 0.643 | S | S | . | * | trans | -67.3 | 154.7 | -179.8 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | S91 E95 D96 | S91-S93 PolarHBondContact O-N 3.49Å; S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 WeakPolarHBondContact OG-CB 3.36Å; S93-E95 PolarHBondContact OG-OE2 2.94Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 VanDerWaalsContact O-N 3.15Å | ||
| 94 | D | 62.3 | Low | 60.8 | Low | 130 Ų | 130 | 120.7 Ų | 120.7 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.1 | -13.7 | 172.7 | -71.2 | -42.2 | 0 | 0 | 0 | 112.6 | Q98 | D94-Q98 WeakPolarHBondContact O-CG 3.2Å; D94-Q98 PolarHBondContact O-N 3.44Å; D94-Q98 PolarHBondContact O-NE2 3.18Å |
| 95 | E | 64.3 | Low | 62.4 | Low | 137 Ų | 137 | 115.4 Ų | 115.4 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.5 | -45.2 | 178.1 | -50.5 | 152.2 | 170.7 | 0 | 0 | 110.7 | S93 F97 Q98 E99 | S93-E95 WeakPolarHBondContact CB-OE2 3.43Å; S93-E95 PolarHBondContact O-N 2.87Å; S93-E95 WeakPolarHBondContact OG-CB 3.36Å; S93-E95 PolarHBondContact OG-OE2 2.94Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.09Å; E95-Q98 CarbonylContact O-C 3.47Å; E95-Q98 PolarHBondContact O-N 3.15Å; E95-Q98 VanDerWaalsContact O-N 3.16Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å |
| 96 | D | 69.1 | Low | 64.3 | Low | 76 Ų | 76 | 115.8 Ų | 115.8 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 176.7 | -91.2 | 13.6 | 0 | 0 | 0 | 111.8 | Q92 S93 R100 | Q92-D96 HydrophobicContact CG-CB 4.21Å; S93-D96 PolarHBondContact O-N 3.32Å; S93-D96 VanDerWaalsContact O-N 3.15Å; D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.14Å |
| 97 | F | 68.4 | Low | 66.3 | Low | 110 Ų | 110 | 112 Ų | 112 | 48% | 0.482 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 175.3 | -85.4 | -81.4 | 0 | 0 | 0 | 111.5 | Q92 E95 R101 | Q92-F97 HydrophobicContact CB-CE2 4.34Å; Q92-F97 HydrophobicContact CG-CD2 4.01Å; Q92-F97 HydrophobicContact CG-CE2 3.63Å; Q92-F97 HydrophobicContact CG-CZ 4.42Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.09Å; F97-R101 VanDerWaalsContact O-CB 3.27Å; F97-R101 WeakPolarHBondContact O-CB 3.3Å; F97-R101 PolarHBondContact O-N 3.31Å |
| 98 | Q | 73.8 | Confident | 67.6 | Low | 120 Ų | 120 | 108.9 Ų | 108.9 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.8 | -34.3 | 177.5 | -74.7 | -176.6 | 88.1 | 0 | 0 | 112.7 | D94 E95 R101 R102 | D94-Q98 WeakPolarHBondContact O-CG 3.2Å; D94-Q98 PolarHBondContact O-N 3.44Å; D94-Q98 PolarHBondContact O-NE2 3.18Å; E95-Q98 CarbonylContact O-C 3.47Å; E95-Q98 PolarHBondContact O-N 3.15Å; E95-Q98 VanDerWaalsContact O-N 3.16Å; Q98-R101 PolarHBondContact O-N 3.3Å; Q98-R102 WeakPolarHBondContact O-CB 3.23Å; Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 2.81Å |
| 99 | E | 75.9 | Confident | 69.1 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -51 | 173.1 | -176.1 | 161.4 | -146.2 | 0 | 0 | 110.4 | E95 R101 R102 E103 | E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å; E99-R101 PolarHBondContact O-N 3.19Å; E99-R102 CarbonylContact O-C 3.59Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-E103 HydrophobicContact CG-CG 4.37Å; E99-E103 WeakPolarHBondContact O-CB 3.2Å; E99-E103 WeakPolarHBondContact O-CG 3.07Å; E99-E103 PolarHBondContact O-N 3.09Å |
| 100 | R | 76 | Confident | 70.5 | Confident | 120 Ų | 120 | 113.1 Ų | 113.1 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -55.7 | -39.1 | 173.6 | -172.4 | 179.6 | -65.1 | -173.8 | 1.8 | 111.9 | D96 E103 V104 | D96-R100 VanDerWaalsContact O-CB 3.24Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.14Å; R100-E103 PolarHBondContact O-N 2.67Å; R100-V104 WeakPolarHBondContact O-CB 3.43Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 2.83Å |
| 101 | R | 76.9 | Confident | 72.1 | Confident | 201 Ų | 201 | 109.7 Ų | 109.7 | 76% | 0.758 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.8 | -40.7 | 178.5 | -152.5 | 174 | -179.5 | 168.3 | -0.4 | 111.9 | F97 Q98 E99 V104 E105 | F97-R101 VanDerWaalsContact O-CB 3.27Å; F97-R101 WeakPolarHBondContact O-CB 3.3Å; F97-R101 PolarHBondContact O-N 3.31Å; Q98-R101 PolarHBondContact O-N 3.3Å; E99-R101 PolarHBondContact O-N 3.19Å; R101-V104 PolarHBondContact O-N 2.71Å; R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 PolarHBondContact O-N 2.79Å |
| 102 | R | 80.2 | Confident | 73.3 | Confident | 172 Ų | 172 | 106.1 Ų | 106.1 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.9 | -36.3 | 173.9 | -79.8 | -170 | -71.9 | -178.3 | -2 | 112.7 | Q98 E99 E105 S106 | Q98-R102 WeakPolarHBondContact O-CB 3.23Å; Q98-R102 WeakPolarHBondContact O-CG 3.48Å; Q98-R102 PolarHBondContact O-N 2.81Å; E99-R102 CarbonylContact O-C 3.59Å; E99-R102 PolarHBondContact O-N 2.91Å; R102-E105 PolarHBondContact O-N 2.75Å; R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 3.44Å |
| 103 | E | 79.4 | Confident | 74.3 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 173.9 | -74.3 | -179.5 | 171.3 | 0 | 0 | 111.1 | E99 R100 S106 L107 | E99-E103 HydrophobicContact CG-CG 4.37Å; E99-E103 WeakPolarHBondContact O-CB 3.2Å; E99-E103 WeakPolarHBondContact O-CG 3.07Å; E99-E103 PolarHBondContact O-N 3.09Å; R100-E103 PolarHBondContact O-N 2.67Å; E103-S106 PolarHBondContact O-N 3.02Å; E103-L107 WeakPolarHBondContact O-CA 3.19Å; E103-L107 WeakPolarHBondContact O-CB 3.24Å; E103-L107 PolarHBondContact O-N 2.83Å |
| 104 | V | 76.8 | Confident | 74.9 | Confident | 70 Ų | 70 | 110.3 Ų | 110.3 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | R100 R101 L107 M108 | R100-V104 WeakPolarHBondContact O-CB 3.43Å; R100-V104 WeakPolarHBondContact O-CG2 3.45Å; R100-V104 PolarHBondContact O-N 2.83Å; R101-V104 PolarHBondContact O-N 2.71Å; V104-L107 PolarHBondContact O-N 2.76Å; V104-M108 HydrophobicContact CG1-CE 4.42Å; V104-M108 WeakPolarHBondContact O-CB 3.07Å; V104-M108 WeakPolarHBondContact O-CG 3.28Å; V104-M108 PolarHBondContact O-N 3.48Å |
| 105 | E | 79.1 | Confident | 75.7 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 177.1 | -172.4 | 177.1 | -171.2 | 0 | 0 | 111.8 | R101 R102 L107 M108 K109 | R101-E105 WeakPolarHBondContact O-CB 3.3Å; R101-E105 PolarHBondContact O-N 2.79Å; R102-E105 PolarHBondContact O-N 2.75Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.79Å; E105-M108 PolarHBondContact O-N 2.92Å; E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.83Å |
| 106 | S | 77.4 | Confident | 76.2 | Confident | 68 Ų | 68 | 109.5 Ų | 109.5 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 172.6 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | R102 E103 K109 K110 | R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 3.44Å; E103-S106 PolarHBondContact O-N 3.02Å; S106-K109 PolarHBondContact O-N 3.31Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.45Å; S106-K110 WeakPolarHBondContact O-CD 3.49Å; S106-K110 WeakPolarHBondContact O-CG 3.11Å; S106-K110 PolarHBondContact O-N 3.22Å |
| 107 | L | 78.4 | Confident | 76.5 | Confident | 44 Ų | 44 | 110.6 Ų | 110.6 | 23% | 0.23 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 176.4 | -173.6 | 65.1 | 0 | 0 | 0 | 111.5 | P79 E103 V104 E105 K110 N111 | P79-L107 HydrophobicContact CB-CD2 4.16Å; P79-L107 HydrophobicContact CG-CD2 4.24Å; E103-L107 WeakPolarHBondContact O-CA 3.19Å; E103-L107 WeakPolarHBondContact O-CB 3.24Å; E103-L107 PolarHBondContact O-N 2.83Å; V104-L107 PolarHBondContact O-N 2.76Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.79Å; L107-K110 HydrophobicContact CD1-CD 4.41Å; L107-K110 HydrophobicContact CD1-CG 4.49Å; L107-K110 WeakPolarHBondContact O-CG 3.07Å; L107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; L107-N111 VanDerWaalsContact CG-ND2 3.28Å; L107-N111 WeakPolarHBondContact CG-ND2 3Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 2.83Å; L107-N111 PolarHBondContact O-ND2 3.35Å |
| 108 | M | 76.4 | Confident | 76.7 | Confident | 130 Ų | 130 | 114.1 Ų | 114.1 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 175.4 | -76.2 | -167.3 | 172.9 | 0 | 0 | 111.5 | V104 E105 N111 A112 | V104-M108 HydrophobicContact CG1-CE 4.42Å; V104-M108 WeakPolarHBondContact O-CB 3.07Å; V104-M108 WeakPolarHBondContact O-CG 3.28Å; V104-M108 PolarHBondContact O-N 3.48Å; E105-M108 PolarHBondContact O-N 2.92Å; M108-N111 PolarHBondContact O-N 3.34Å; M108-A112 PolarHBondContact O-N 3Å |
| 109 | K | 76.5 | Confident | 76.4 | Confident | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | -179.9 | -168.2 | 174.5 | -177 | -173.5 | 0 | 112.6 | E105 S106 N111 | E105-K109 VanDerWaalsContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact O-CB 3.26Å; E105-K109 PolarHBondContact O-N 2.83Å; S106-K109 PolarHBondContact O-N 3.31Å; K109-N111 VanDerWaalsContact C-N 3.28Å; K109-N111 PolarHBondContact O-N 3.48Å |
| 110 | K | 73.9 | Confident | 75.8 | Confident | 133 Ų | 133 | 110.2 Ų | 110.2 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.6 | -17.5 | 177.3 | 78 | -163.7 | 178.5 | 65.6 | 0 | 113.6 | S106 L107 | S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.45Å; S106-K110 WeakPolarHBondContact O-CD 3.49Å; S106-K110 WeakPolarHBondContact O-CG 3.11Å; S106-K110 PolarHBondContact O-N 3.22Å; L107-K110 HydrophobicContact CD1-CD 4.41Å; L107-K110 HydrophobicContact CD1-CG 4.49Å; L107-K110 WeakPolarHBondContact O-CG 3.07Å |
| 111 | N | 76.8 | Confident | 75.7 | Confident | 27 Ų | 27 | 113.3 Ų | 113.3 | 14% | 0.144 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -100.1 | -5.1 | 180 | -73.6 | -27.8 | 0 | 0 | 0 | 113.6 | L107 M108 K109 D113 W114 I115 | L107-N111 WeakPolarHBondContact CD1-ND2 3.42Å; L107-N111 VanDerWaalsContact CG-ND2 3.28Å; L107-N111 WeakPolarHBondContact CG-ND2 3Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 2.83Å; L107-N111 PolarHBondContact O-ND2 3.35Å; M108-N111 PolarHBondContact O-N 3.34Å; K109-N111 VanDerWaalsContact C-N 3.28Å; K109-N111 PolarHBondContact O-N 3.48Å; N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.89Å; N111-W114 VanDerWaalsContact CA-CD1 3.43Å; N111-W114 VanDerWaalsContact CA-NE1 3.26Å; N111-W114 HydrophobicContact CB-CZ2 4.01Å; N111-W114 PolarHBondContact O-N 3.3Å; N111-W114 PolarHBondContact O-NE1 3.49Å; N111-W114 PolarHBondContact OD1-NE1 2.99Å; N111-I115 HydrophobicContact CB-CD1 3.67Å; N111-I115 HydrophobicContact CB-CG1 4.24Å; N111-I115 WeakPolarHBondContact O-CB 3.46Å; N111-I115 WeakPolarHBondContact O-CD1 3.28Å; N111-I115 WeakPolarHBondContact O-CG1 3.17Å; N111-I115 PolarHBondContact O-N 3.48Å |
| 112 | A | 77.7 | Confident | 75 | Confident | 45 Ų | 45 | 109.4 Ų | 109.4 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.7 | -41.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M108 I115 W116 | M108-A112 PolarHBondContact O-N 3Å; A112-I115 PolarHBondContact O-N 3.42Å; A112-W116 WeakPolarHBondContact O-CB 3.46Å; A112-W116 PolarHBondContact O-N 2.65Å |
| 113 | D | 76.4 | Confident | 74 | Confident | 128 Ų | 128 | 109.7 Ų | 109.7 | 68% | 0.684 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | -176.3 | -59.4 | -26.2 | 0 | 0 | 0 | 112.5 | N111 D117 | N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.89Å; D113-D117 PolarHBondContact O-N 2.91Å |
| 114 | W | 76.6 | Confident | 73 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 36% | 0.364 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -76.5 | -33.2 | 177.9 | 74.6 | -96.3 | 0 | 0 | 0 | 112.5 | N111 W116 D117 W118 | N111-W114 VanDerWaalsContact CA-CD1 3.43Å; N111-W114 VanDerWaalsContact CA-NE1 3.26Å; N111-W114 HydrophobicContact CB-CZ2 4.01Å; N111-W114 PolarHBondContact O-N 3.3Å; N111-W114 PolarHBondContact O-NE1 3.49Å; N111-W114 PolarHBondContact OD1-NE1 2.99Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.48Å; W114-D117 PolarHBondContact O-N 3.2Å; W114-W118 HydrophobicContact CE3-CD2 4.15Å; W114-W118 AromaticContact CE3-CE2 4Å; W114-W118 HydrophobicContact CE3-CG 4.23Å; W114-W118 AromaticContact CE3-NE1 3.96Å; W114-W118 HydrophobicContact CZ3-CD2 4.19Å; W114-W118 HydrophobicContact CZ3-CE3 4.4Å; W114-W118 PolarHBondContact O-N 3.37Å; W114-W118 VanDerWaalsContact O-N 3.11Å |
| 115 | I | 79.3 | Confident | 72.1 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 38% | 0.379 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -43.1 | 174.8 | -67.9 | 167.6 | 0 | 0 | 0 | 109.1 | N111 A112 W118 S119 | N111-I115 HydrophobicContact CB-CD1 3.67Å; N111-I115 HydrophobicContact CB-CG1 4.24Å; N111-I115 WeakPolarHBondContact O-CB 3.46Å; N111-I115 WeakPolarHBondContact O-CD1 3.28Å; N111-I115 WeakPolarHBondContact O-CG1 3.17Å; N111-I115 PolarHBondContact O-N 3.48Å; A112-I115 PolarHBondContact O-N 3.42Å; I115-W118 PolarHBondContact O-N 3.37Å; I115-S119 PolarHBondContact O-N 3.11Å; I115-S119 PolarHBondContact O-OG 3Å |
| 116 | W | 75.1 | Confident | 71.2 | Confident | 176 Ų | 176 | 108.5 Ų | 108.5 | 67% | 0.667 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 177 | -170.4 | -105.7 | 0 | 0 | 0 | 112.2 | A112 W114 W118 S119 S120 | A112-W116 WeakPolarHBondContact O-CB 3.46Å; A112-W116 PolarHBondContact O-N 2.65Å; W114-W116 VanDerWaalsContact C-N 3.27Å; W114-W116 PolarHBondContact O-N 3.48Å; W116-W118 PolarHBondContact O-N 2.94Å; W116-S119 PolarHBondContact O-N 2.8Å; W116-S119 PolarHBondContact O-OG 3.12Å; W116-S120 WeakPolarHBondContact O-CB 3.5Å; W116-S120 PolarHBondContact O-N 3.44Å; W116-S120 PolarHBondContact O-OG 3.08Å |
| 117 | D | 75 | Confident | 70.4 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -19.4 | 173.9 | -78.2 | -13 | 0 | 0 | 0 | 113.7 | D113 W114 R121 | D113-D117 PolarHBondContact O-N 2.91Å; W114-D117 PolarHBondContact O-N 3.2Å; D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-NE 2.74Å |
| 118 | W | 73 | Confident | 69.5 | Low | 185 Ų | 185 | 117.2 Ų | 117.2 | 70% | 0.701 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -90 | -40.4 | 175.6 | -75.9 | 41.4 | 0 | 0 | 0 | 111.9 | W114 I115 W116 | W114-W118 HydrophobicContact CE3-CD2 4.15Å; W114-W118 AromaticContact CE3-CE2 4Å; W114-W118 HydrophobicContact CE3-CG 4.23Å; W114-W118 AromaticContact CE3-NE1 3.96Å; W114-W118 HydrophobicContact CZ3-CD2 4.19Å; W114-W118 HydrophobicContact CZ3-CE3 4.4Å; W114-W118 PolarHBondContact O-N 3.37Å; W114-W118 VanDerWaalsContact O-N 3.11Å; I115-W118 PolarHBondContact O-N 3.37Å; W116-W118 PolarHBondContact O-N 2.94Å |
| 119 | S | 68.3 | Low | 68.7 | Low | 78 Ų | 78 | 118.6 Ų | 118.6 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -79 | -24 | 178.7 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | I115 W116 | I115-S119 PolarHBondContact O-N 3.11Å; I115-S119 PolarHBondContact O-OG 3Å; W116-S119 PolarHBondContact O-N 2.8Å; W116-S119 PolarHBondContact O-OG 3.12Å |
| 120 | S | 63.7 | Low | 67.8 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -85.7 | -7.1 | -176.3 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | W116 P122 | W116-S120 WeakPolarHBondContact O-CB 3.5Å; W116-S120 PolarHBondContact O-N 3.44Å; W116-S120 PolarHBondContact O-OG 3.08Å; S120-P122 VanDerWaalsContact O-CD 3.3Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; S120-P122 VanDerWaalsContact O-N 3.12Å |
| 121 | R | 73.4 | Confident | 67 | Low | 184 Ų | 184 | 118 Ų | 118 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -63.1 | 118.3 | 172 | -66.7 | -174.8 | -177.6 | -115.5 | -2.3 | 106.9 | D117 E123 | D117-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 PolarHBondContact O-NE 2.74Å; R121-E123 PolarHBondContact O-N 3.06Å |
| 122 | P | 61.4 | Low | 66 | Low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -54.3 | 125.9 | 173.4 | 23 | -31.1 | 0 | 0 | 0 | 106.3 | S120 N124 | S120-P122 VanDerWaalsContact O-CD 3.3Å; S120-P122 WeakPolarHBondContact O-CD 3.47Å; S120-P122 VanDerWaalsContact O-N 3.12Å; P122-N124 PolarHBondContact O-N 3.2Å | ||
| 123 | E | 60.6 | Low | 65 | Low | 178 Ų | 178 | 130.5 Ų | 130.5 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | trans | -28 | 108.7 | 178.6 | -172.9 | 176.5 | 171.1 | 0 | 0 | 108.9 | R121 S125 | R121-E123 PolarHBondContact O-N 3.06Å; E123-S125 PolarHBondContact O-N 3.48Å | ||
| 124 | N | 57.7 | Low | 63.9 | Low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | -66.3 | 79.8 | 175 | 174.6 | 27.4 | 0 | 0 | 0 | 105.5 | P122 P126 | P122-N124 PolarHBondContact O-N 3.2Å; N124-P126 VanDerWaalsContact C-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.5Å | ||
| 125 | S | 56.8 | Low | 62.7 | Low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -59.5 | 103.8 | 163.9 | 54.9 | 0 | 0 | 0 | 0 | 103.5 | E123 | E123-S125 PolarHBondContact O-N 3.48Š| ||
| 126 | P | 60.9 | Low | 61.5 | Low | 54 Ų | 54 | 136.1 Ų | 136.1 | 35% | 0.351 | 68% | 0.679 | S | S | . | * | trans | -55.2 | 142.2 | 173.5 | 26.3 | -33.1 | 0 | 0 | 0 | 106.2 | N124 K128 F130 | N124-P126 VanDerWaalsContact C-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-K128 PolarHBondContact O-N 3.15Å; P126-F130 HydrophobicContact CB-CD2 3.96Å; P126-F130 HydrophobicContact CB-CE1 4.05Å; P126-F130 HydrophobicContact CB-CE2 3.04Å; P126-F130 HydrophobicContact CB-CZ 3.1Å; P126-F130 HydrophobicContact CG-CD2 4.4Å; P126-F130 HydrophobicContact CG-CE2 3.62Å; P126-F130 HydrophobicContact CG-CZ 4.15Å | ||
| 127 | P | 61.5 | Low | 60.7 | Low | 98 Ų | 98 | 139.3 Ų | 139.3 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -46.6 | 115.2 | 172.7 | 14.5 | -25.7 | 0 | 0 | 0 | 107.3 | E129 F130 | P127-E129 CarbonylContact O-C 3.56Å; P127-E129 PolarHBondContact O-N 2.85Å; P127-E129 VanDerWaalsContact O-N 3.14Å; P127-F130 PolarHBondContact O-N 2.86Å | ||
| 128 | K | 59.2 | Low | 59.5 | Low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -50.4 | 127.8 | 175.8 | -94.4 | 173.5 | 176.6 | 172.2 | 0 | 104.6 | P126 | P126-K128 PolarHBondContact O-N 3.15Š|
| 129 | E | 59.6 | Low | 58.5 | Low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | trans | 84.3 | 66.6 | -167.9 | -42.7 | 171.8 | -127.5 | 0 | 0 | 113.7 | P127 L131 | P127-E129 CarbonylContact O-C 3.56Å; P127-E129 PolarHBondContact O-N 2.85Å; P127-E129 VanDerWaalsContact O-N 3.14Å; E129-L131 HydrophobicContact CB-CG 4.24Å; E129-L131 PolarHBondContact O-N 3.48Å | ||
| 130 | F | 56.2 | Low | 57.6 | Low | 150 Ų | 150 | 137.4 Ų | 137.4 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | trans | -61.3 | 81.8 | 145.9 | -71 | -61.1 | 0 | 0 | 0 | 108.5 | P126 P127 L132 | P126-F130 HydrophobicContact CB-CD2 3.96Å; P126-F130 HydrophobicContact CB-CE1 4.05Å; P126-F130 HydrophobicContact CB-CE2 3.04Å; P126-F130 HydrophobicContact CB-CZ 3.1Å; P126-F130 HydrophobicContact CG-CD2 4.4Å; P126-F130 HydrophobicContact CG-CE2 3.62Å; P126-F130 HydrophobicContact CG-CZ 4.15Å; P127-F130 PolarHBondContact O-N 2.86Å; F130-L132 PolarHBondContact O-N 2.77Å | ||
| 131 | L | 58.8 | Low | 57.1 | Low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -67.5 | 78.7 | 164 | -71.2 | 172.3 | 0 | 0 | 0 | 106.9 | E129 K133 | E129-L131 HydrophobicContact CB-CG 4.24Å; E129-L131 PolarHBondContact O-N 3.48Å; L131-K133 PolarHBondContact O-N 3.42Å | ||
| 132 | L | 54.9 | Low | 56.1 | Low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | -63.2 | 77 | 161.4 | -74.3 | 168.3 | 0 | 0 | 0 | 106.6 | F130 N134 | F130-L132 PolarHBondContact O-N 2.77Å; L132-N134 PolarHBondContact O-N 3.13Å | ||
| 133 | K | 56.5 | Low | 55.6 | Low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 71% | 0.713 | S | S | * | * | trans | -70.9 | 84.2 | 170.9 | -170.5 | 176.6 | 176.4 | -178.2 | 0 | 105.5 | L131 P135 | L131-K133 PolarHBondContact O-N 3.42Å; K133-P135 VanDerWaalsContact O-CD 3.26Å; K133-P135 WeakPolarHBondContact O-CD 3.49Å | ||
| 134 | N | 53.5 | Low | 55.6 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 49% | 0.492 | 71% | 0.712 | S | S | . | * | trans | -52 | 118.1 | 170.1 | -83.2 | 11.3 | 0 | 0 | 0 | 106.7 | L132 K136 | L132-N134 PolarHBondContact O-N 3.13Å; N134-K136 PolarHBondContact O-N 2.99Å | ||
| 135 | P | 51.1 | Low | 55.3 | Low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -56.4 | 114.4 | 172.6 | 19.1 | -27.1 | 0 | 0 | 0 | 106.6 | K133 R137 | K133-P135 VanDerWaalsContact O-CD 3.26Å; K133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-R137 PolarHBondContact O-N 3.35Å | ||
| 136 | K | 54.2 | Low | 55 | Low | 207 Ų | 207 | 138.3 Ų | 138.3 | 90% | 0.9 | 71% | 0.705 | S | S | * | * | trans | -51.2 | 104.3 | 178.3 | -81.9 | 178.8 | 170.8 | 178.8 | 0 | 107.4 | N134 S138 | N134-K136 PolarHBondContact O-N 2.99Å; K136-S138 PolarHBondContact O-N 3.34Å | ||
| 137 | R | 59.4 | Low | 54.7 | Low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.917 | 72% | 0.724 | S | S | * | * | trans | 16.9 | 73.3 | 169.2 | -70.8 | -170.7 | -103.3 | 124.9 | -8.5 | 113.3 | P135 | P135-R137 PolarHBondContact O-N 3.35Š| ||
| 138 | S | 48.1 | Very low | 54.4 | Low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -90.2 | 106.9 | 146.7 | -169.2 | 0 | 0 | 0 | 0 | 104 | K136 S140 | K136-S138 PolarHBondContact O-N 3.34Å; S138-S140 PolarHBondContact O-N 3.01Å | ||
| 139 | T | 53.5 | Low | 54 | Low | 117 Ų | 117 | 139.7 Ų | 139.7 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -42.6 | 97.3 | 163.3 | 42.8 | 0 | 0 | 0 | 0 | 107.6 | L141 | T139-L141 PolarHBondContact O-N 2.9Š| ||
| 140 | S | 49.7 | Very low | 53.9 | Low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -69.5 | 83.9 | 170.8 | -172.6 | 0 | 0 | 0 | 0 | 105 | S138 S142 | S138-S140 PolarHBondContact O-N 3.01Å; S140-S142 PolarHBondContact O-N 2.87Å | ||
| 141 | L | 51.8 | Low | 54.1 | Low | 145 Ų | 145 | 144.1 Ų | 144.1 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -55.2 | 106.2 | 155.5 | -71 | 176.5 | 0 | 0 | 0 | 104.4 | T139 I143 | T139-L141 PolarHBondContact O-N 2.9Å; L141-I143 PolarHBondContact O-N 3.48Å | ||
| 142 | S | 52.6 | Low | 53.9 | Low | 74 Ų | 74 | 140 Ų | 140 | 52% | 0.517 | 73% | 0.731 | S | S | . | * | trans | -58.7 | 100.1 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | S140 R144 | S140-S142 PolarHBondContact O-N 2.87Å; S142-R144 PolarHBondContact O-N 3.42Å; S142-R144 WeakPolarHBondContact OG-CB 3.37Å; S142-R144 PolarHBondContact OG-N 3.01Å | ||
| 143 | I | 51.2 | Low | 54.4 | Low | 135 Ų | 135 | 136.6 Ų | 136.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -70.9 | 16.1 | 165.3 | -56.9 | 167.5 | 0 | 0 | 0 | 109.6 | L141 N145 | L141-I143 PolarHBondContact O-N 3.48Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 3.44Å |
| 144 | R | 59.8 | Low | 54.6 | Low | 217 Ų | 217 | 133.5 Ų | 133.5 | 82% | 0.819 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -87.7 | 14.6 | 175.1 | -62.4 | -171.2 | 167.5 | 101.3 | -3.9 | 113.8 | S142 | S142-R144 PolarHBondContact O-N 3.42Å; S142-R144 WeakPolarHBondContact OG-CB 3.37Å; S142-R144 PolarHBondContact OG-N 3.01Å |
| 145 | N | 53.1 | Low | 54.9 | Low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -133.2 | 16.3 | 172 | -91.5 | -23.3 | 0 | 0 | 0 | 115.2 | I143 S147 | I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 3.44Å; N145-S147 PolarHBondContact O-N 3.48Å |
| 146 | T | 50.5 | Low | 55.6 | Low | 66 Ų | 66 | 132.9 Ų | 132.9 | 41% | 0.405 | 72% | 0.718 | S | S | . | * | trans | -99 | 80.3 | 168.1 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | V148 M149 | T146-V148 PolarHBondContact O-N 3.39Å; T146-M149 PolarHBondContact O-N 2.87Å | ||
| 147 | S | 54 | Low | 56.5 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 13.1 | 175.4 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | N145 | N145-S147 PolarHBondContact O-N 3.48Š|
| 148 | V | 55.8 | Low | 57.3 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -18.3 | 178.7 | -139.8 | 0 | 0 | 0 | 0 | 112.1 | T146 | T146-V148 PolarHBondContact O-N 3.39Š|
| 149 | M | 50.9 | Low | 58.6 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -93.4 | -13.3 | -178.6 | -60.8 | 174.3 | 73.3 | 0 | 0 | 113.6 | T146 | T146-M149 PolarHBondContact O-N 2.87Š|
| 150 | K | 56.5 | Low | 60 | Low | 199 Ų | 199 | 118.2 Ų | 118.2 | 87% | 0.865 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -96.2 | -6.4 | -174.6 | -75.4 | -173.5 | 158.7 | -171.7 | 0 | 114.9 | ||
| 151 | K | 61.2 | Low | 61.6 | Low | 202 Ų | 202 | 121.2 Ų | 121.2 | 88% | 0.878 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -130.5 | 32.1 | -173.6 | -157.8 | 155.3 | -179.2 | -178.6 | 0 | 115 | ||
| 152 | G | 53.7 | Low | 63.2 | Low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | trans | 175 | 72.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | I154 | G152-I154 PolarHBondContact O-N 3.32Š| ||
| 153 | G | 65.4 | Low | 64.9 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 78% | 0.784 | 65% | 0.649 | S | S | * | * | trans | -68.9 | 115.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 154 | I | 60.7 | Low | 66.7 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | trans | -157.5 | 19.9 | 148.4 | 47.2 | 157.9 | 0 | 0 | 0 | 111.8 | G152 S156 F159 | G152-I154 PolarHBondContact O-N 3.32Å; I154-S156 PolarHBondContact O-N 2.86Å; I154-F159 HydrophobicContact CD1-CD1 4.41Å; I154-F159 HydrophobicContact CD1-CE1 3.86Å; I154-F159 HydrophobicContact CD1-CZ 4.37Å | ||
| 155 | L | 60.1 | Low | 68.3 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | trans | -79.9 | 67.7 | 177.9 | -60.4 | -176.7 | 0 | 0 | 0 | 110.6 | L160 | L155-L160 HydrophobicContact CD2-CD1 4.22Š| ||
| 156 | S | 66.5 | Low | 70.2 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | trans | -62.6 | 135.5 | 152.7 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | I154 D158 F159 L160 | I154-S156 PolarHBondContact O-N 2.86Å; S156-D158 PolarHBondContact O-N 3.34Å; S156-D158 VanDerWaalsContact O-N 3.15Å; S156-F159 PolarHBondContact O-N 3.46Å; S156-L160 PolarHBondContact O-N 3.34Å | ||
| 157 | A | 73 | Confident | 72.2 | Confident | 79 Ų | 79 | 106.7 Ų | 106.7 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.2 | -33.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K161 | A157-K161 PolarHBondContact O-N 3.16Å; A157-K161 VanDerWaalsContact O-N 3.15Å |
| 158 | D | 75.6 | Confident | 74.2 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.2 | -34.8 | 177.2 | -61.2 | -39.1 | 0 | 0 | 0 | 112.7 | S156 K161 | S156-D158 PolarHBondContact O-N 3.34Å; S156-D158 VanDerWaalsContact O-N 3.15Å; D158-K161 PolarHBondContact O-N 2.97Å |
| 159 | F | 75.1 | Confident | 76.1 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 41% | 0.408 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70 | -41.1 | 174.9 | -170.4 | -101.3 | 0 | 0 | 0 | 110.7 | I154 S156 K161 I162 F163 | I154-F159 HydrophobicContact CD1-CD1 4.41Å; I154-F159 HydrophobicContact CD1-CE1 3.86Å; I154-F159 HydrophobicContact CD1-CZ 4.37Å; S156-F159 PolarHBondContact O-N 3.46Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.15Å; F159-I162 PolarHBondContact O-N 3.15Å; F159-I162 VanDerWaalsContact O-N 3.16Å; F159-F163 HydrophobicContact CD1-CB 4.07Å; F159-F163 HydrophobicContact CD1-CG 4.45Å; F159-F163 HydrophobicContact CE1-CB 3.99Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CZ-CD2 4.18Å; F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.43Å |
| 160 | L | 82.5 | Confident | 78.3 | Confident | 71 Ų | 71 | 100.6 Ų | 100.6 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -35.1 | 176.7 | -173.6 | 61.1 | 0 | 0 | 0 | 111.9 | L155 S156 I162 F163 L164 | L155-L160 HydrophobicContact CD2-CD1 4.22Å; S156-L160 PolarHBondContact O-N 3.34Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 2.98Å; L160-F163 PolarHBondContact O-N 2.77Å; L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 PolarHBondContact O-N 3.43Å |
| 161 | K | 82.8 | Confident | 80.2 | Confident | 166 Ų | 166 | 96.6 Ų | 96.6 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -30.4 | 177 | -173.7 | 175.9 | 173.9 | -178.2 | 0 | 113.3 | A157 D158 F159 P165 | A157-K161 PolarHBondContact O-N 3.16Å; A157-K161 VanDerWaalsContact O-N 3.15Å; D158-K161 PolarHBondContact O-N 2.97Å; F159-K161 VanDerWaalsContact C-N 3.26Å; F159-K161 PolarHBondContact O-N 3.15Å; K161-P165 WeakPolarHBondContact O-CD 3.16Å; K161-P165 VanDerWaalsContact O-CG 3.24Å; K161-P165 WeakPolarHBondContact O-CG 3.46Å |
| 162 | I | 86.8 | Confident | 81.9 | Confident | 123 Ų | 123 | 92.4 Ų | 92.4 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -95.6 | -33.4 | 178.7 | -57.3 | 163.1 | 0 | 0 | 0 | 110.6 | F159 L160 P165 S166 | F159-I162 PolarHBondContact O-N 3.15Å; F159-I162 VanDerWaalsContact O-N 3.16Å; L160-I162 VanDerWaalsContact C-N 3.26Å; L160-I162 PolarHBondContact O-N 2.98Å; I162-P165 WeakPolarHBondContact O-CD 3.09Å; I162-P165 WeakPolarHBondContact O-CG 3.03Å; I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.27Å; I162-S166 PolarHBondContact O-OG 3.38Å |
| 163 | F | 87.4 | Confident | 84 | Confident | 87 Ų | 87 | 95.4 Ų | 95.4 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.3 | -40 | -179.9 | -173.2 | -105 | 0 | 0 | 0 | 112.2 | F159 L160 S166 L167 | F159-F163 HydrophobicContact CD1-CB 4.07Å; F159-F163 HydrophobicContact CD1-CG 4.45Å; F159-F163 HydrophobicContact CE1-CB 3.99Å; F159-F163 AromaticContact CE1-CD2 3.83Å; F159-F163 HydrophobicContact CE1-CD2 3.83Å; F159-F163 AromaticContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CE1-CG 3.99Å; F159-F163 HydrophobicContact CZ-CD2 4.18Å; F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.43Å; L160-F163 PolarHBondContact O-N 2.77Å; F163-S166 VanDerWaalsContact CA-OG 3.26Å; F163-S166 WeakPolarHBondContact CA-OG 3.37Å; F163-S166 PolarHBondContact O-N 2.83Å; F163-S166 PolarHBondContact O-OG 2.9Å; F163-L167 HydrophobicContact CE1-CD1 4.4Å; F163-L167 HydrophobicContact CE1-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CD1 4.2Å; F163-L167 WeakPolarHBondContact O-CB 3.18Å; F163-L167 PolarHBondContact O-N 3.26Å |
| 164 | L | 89.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -49.7 | -178.8 | -164.5 | 69.3 | 0 | 0 | 0 | 113.1 | L160 L167 I168 | L160-L164 WeakPolarHBondContact O-CB 3.47Å; L160-L164 PolarHBondContact O-N 3.43Å; L164-L167 PolarHBondContact O-N 3.18Å; L164-I168 WeakPolarHBondContact O-CD1 2.99Å; L164-I168 VanDerWaalsContact O-CG1 3.32Å; L164-I168 WeakPolarHBondContact O-CG1 3.5Å; L164-I168 PolarHBondContact O-N 2.99Å |
| 165 | P | 92.8 | Very high | 87.2 | Confident | 58 Ų | 58 | 93.1 Ų | 93.1 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 174 | 24.1 | -32.1 | 0 | 0 | 0 | 111.6 | K161 I162 L167 I168 I169 | K161-P165 WeakPolarHBondContact O-CD 3.16Å; K161-P165 VanDerWaalsContact O-CG 3.24Å; K161-P165 WeakPolarHBondContact O-CG 3.46Å; I162-P165 WeakPolarHBondContact O-CD 3.09Å; I162-P165 WeakPolarHBondContact O-CG 3.03Å; P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.3Å; P165-I168 PolarHBondContact O-N 3.46Å; P165-I168 VanDerWaalsContact O-N 3.09Å; P165-I169 HydrophobicContact CB-CD1 4.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.26Å; P165-I169 PolarHBondContact O-N 3.09Å |
| 166 | S | 93.1 | Very high | 88.9 | Confident | 57 Ų | 57 | 89 Ų | 89 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | I162 F163 I169 S170 | I162-S166 WeakPolarHBondContact O-CB 3.31Å; I162-S166 PolarHBondContact O-N 3.27Å; I162-S166 PolarHBondContact O-OG 3.38Å; F163-S166 VanDerWaalsContact CA-OG 3.26Å; F163-S166 WeakPolarHBondContact CA-OG 3.37Å; F163-S166 PolarHBondContact O-N 2.83Å; F163-S166 PolarHBondContact O-OG 2.9Å; S166-I169 PolarHBondContact O-N 3.22Å; S166-S170 WeakPolarHBondContact O-CB 3.48Å; S166-S170 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-OG 3.49Å |
| 167 | L | 92.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 90.8 Ų | 90.8 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 174 | -173 | 73.4 | 0 | 0 | 0 | 112.4 | F163 L164 P165 S170 H171 | F163-L167 HydrophobicContact CE1-CD1 4.4Å; F163-L167 HydrophobicContact CE1-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CD1 4.2Å; F163-L167 WeakPolarHBondContact O-CB 3.18Å; F163-L167 PolarHBondContact O-N 3.26Å; L164-L167 PolarHBondContact O-N 3.18Å; P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.3Å; L167-S170 PolarHBondContact O-OG 3.02Å; L167-H171 PolarHBondContact O-N 2.83Å; L167-H171 PolarHBondContact O-ND1 2.77Å |
| 168 | I | 95.7 | Very high | 91.4 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 177 | -65.5 | 162.7 | 0 | 0 | 0 | 109.8 | L164 P165 S170 H171 I172 | L164-I168 WeakPolarHBondContact O-CD1 2.99Å; L164-I168 VanDerWaalsContact O-CG1 3.32Å; L164-I168 WeakPolarHBondContact O-CG1 3.5Å; L164-I168 PolarHBondContact O-N 2.99Å; P165-I168 PolarHBondContact O-N 3.46Å; P165-I168 VanDerWaalsContact O-N 3.09Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 3.43Å; I168-H171 PolarHBondContact O-N 3.47Å; I168-I172 HydrophobicContact CG2-CD1 3.9Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.3Å |
| 169 | I | 96.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 88.2 Ų | 88.2 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.3 | -76.9 | 113.2 | 0 | 0 | 0 | 111.4 | P165 S166 H171 I172 L173 | P165-I169 HydrophobicContact CB-CD1 4.37Å; P165-I169 WeakPolarHBondContact O-CD1 3.26Å; P165-I169 PolarHBondContact O-N 3.09Å; S166-I169 PolarHBondContact O-N 3.22Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.28Å; I169-I172 PolarHBondContact O-N 3.44Å; I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.24Å; I169-L173 PolarHBondContact O-N 3.48Å |
| 170 | S | 96.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | S166 L167 I168 L173 A174 | S166-S170 WeakPolarHBondContact O-CB 3.48Å; S166-S170 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-OG 3.49Å; L167-S170 PolarHBondContact O-OG 3.02Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 3.43Å; S170-L173 PolarHBondContact O-N 2.89Å; S170-A174 WeakPolarHBondContact O-CB 3.3Å; S170-A174 PolarHBondContact O-N 2.89Å |
| 171 | H | 96.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 176.1 | -80.4 | 70.9 | 0 | 0 | 0 | 112.6 | L167 I168 I169 L173 A174 V175 | L167-H171 PolarHBondContact O-N 2.83Å; L167-H171 PolarHBondContact O-ND1 2.77Å; I168-H171 PolarHBondContact O-N 3.47Å; I169-H171 VanDerWaalsContact C-N 3.3Å; I169-H171 PolarHBondContact O-N 3.28Å; H171-L173 VanDerWaalsContact C-N 3.29Å; H171-L173 PolarHBondContact O-N 2.94Å; H171-A174 PolarHBondContact O-N 2.97Å; H171-V175 WeakPolarHBondContact O-CB 3.21Å; H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.35Å; H171-V175 PolarHBondContact O-N 3.41Å |
| 172 | I | 97.1 | Very high | 94 | Very high | 114 Ų | 114 | 83.7 Ų | 83.7 | 59% | 0.585 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.9 | -44.2 | 175.8 | -67.5 | 168.3 | 0 | 0 | 0 | 110.1 | I168 I169 G176 | I168-I172 HydrophobicContact CG2-CD1 3.9Å; I168-I172 WeakPolarHBondContact O-CG1 3.44Å; I168-I172 PolarHBondContact O-N 3.3Å; I169-I172 PolarHBondContact O-N 3.44Å; I172-G176 PolarHBondContact O-N 3.44Å |
| 173 | L | 96.7 | Very high | 94 | Very high | 118 Ų | 118 | 84.9 Ų | 84.9 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 176.7 | -70.5 | 174 | 0 | 0 | 0 | 112.1 | I169 S170 H171 G176 L177 | I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.24Å; I169-L173 PolarHBondContact O-N 3.48Å; S170-L173 PolarHBondContact O-N 2.89Å; H171-L173 VanDerWaalsContact C-N 3.29Å; H171-L173 PolarHBondContact O-N 2.94Å; L173-G176 PolarHBondContact O-N 2.8Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 2.91Å |
| 174 | A | 97.1 | Very high | 94 | Very high | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S170 H171 L177 G178 | S170-A174 WeakPolarHBondContact O-CB 3.3Å; S170-A174 PolarHBondContact O-N 2.89Å; H171-A174 PolarHBondContact O-N 2.97Å; A174-L177 PolarHBondContact O-N 3.5Å; A174-G178 PolarHBondContact O-N 3.38Å |
| 175 | V | 96.6 | Very high | 93.8 | Very high | 90 Ų | 90 | 89 Ų | 89 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | H171 L177 G178 I179 | H171-V175 WeakPolarHBondContact O-CB 3.21Å; H171-V175 VanDerWaalsContact O-CG2 3.31Å; H171-V175 WeakPolarHBondContact O-CG2 3.35Å; H171-V175 PolarHBondContact O-N 3.41Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-G178 PolarHBondContact O-N 2.91Å; V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 HydrophobicContact CG1-CG1 4.49Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.24Å; V175-I179 PolarHBondContact O-N 3.47Å |
| 176 | G | 95.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 91 Ų | 91 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I172 L173 I179 F180 | I172-G176 PolarHBondContact O-N 3.44Å; L173-G176 PolarHBondContact O-N 2.8Å; G176-I179 PolarHBondContact O-N 3Å; G176-F180 VanDerWaalsContact O-CB 3.32Å; G176-F180 WeakPolarHBondContact O-CB 3.35Å; G176-F180 PolarHBondContact O-N 2.9Å |
| 177 | L | 96 | Very high | 92.2 | Very high | 107 Ų | 107 | 91.4 Ų | 91.4 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 176.1 | -172.9 | 63.6 | 0 | 0 | 0 | 111.5 | L173 A174 V175 I179 F180 I181 | L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 2.91Å; A174-L177 PolarHBondContact O-N 3.5Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-I179 VanDerWaalsContact C-N 3.35Å; L177-I179 PolarHBondContact O-N 3.19Å; L177-F180 HydrophobicContact CD1-CD1 4.47Å; L177-F180 PolarHBondContact O-N 3.33Å; L177-I181 HydrophobicContact CD1-CD1 3.67Å; L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 WeakPolarHBondContact O-CD1 3.39Å; L177-I181 PolarHBondContact O-N 3.17Å |
| 178 | G | 95.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A174 V175 G182 | A174-G178 PolarHBondContact O-N 3.38Å; V175-G178 PolarHBondContact O-N 2.91Å; G178-G182 PolarHBondContact O-N 3.28Å |
| 179 | I | 94.3 | Very high | 89.2 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 174.9 | -64.8 | 165 | 0 | 0 | 0 | 110.7 | V175 G176 L177 G182 K183 | V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 HydrophobicContact CG1-CG1 4.49Å; V175-I179 VanDerWaalsContact O-CG1 3.3Å; V175-I179 WeakPolarHBondContact O-CG1 3.24Å; V175-I179 PolarHBondContact O-N 3.47Å; G176-I179 PolarHBondContact O-N 3Å; L177-I179 VanDerWaalsContact C-N 3.35Å; L177-I179 PolarHBondContact O-N 3.19Å; I179-G182 PolarHBondContact O-N 2.85Å; I179-K183 HydrophobicContact CG2-CD 3.87Å; I179-K183 HydrophobicContact CG2-CG 4.27Å; I179-K183 WeakPolarHBondContact O-CB 3.48Å; I179-K183 VanDerWaalsContact O-CG 3.28Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 2.87Å |
| 180 | F | 93.8 | Very high | 87.4 | Confident | 131 Ų | 131 | 95.8 Ų | 95.8 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -47.3 | 178.6 | 179 | -107.2 | 0 | 0 | 0 | 111.9 | G176 L177 K183 R184 | G176-F180 VanDerWaalsContact O-CB 3.32Å; G176-F180 WeakPolarHBondContact O-CB 3.35Å; G176-F180 PolarHBondContact O-N 2.9Å; L177-F180 HydrophobicContact CD1-CD1 4.47Å; L177-F180 PolarHBondContact O-N 3.33Å; F180-K183 PolarHBondContact O-N 3.24Å; F180-R184 WeakPolarHBondContact O-CB 3.28Å; F180-R184 PolarHBondContact O-N 2.73Å |
| 181 | I | 92.9 | Very high | 85.1 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 37% | 0.374 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -46.6 | 172.4 | -92.2 | 64.1 | 0 | 0 | 0 | 109.9 | L177 K183 R184 L185 | L177-I181 HydrophobicContact CD1-CD1 3.67Å; L177-I181 HydrophobicContact CG-CD1 4.08Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 WeakPolarHBondContact O-CD1 3.39Å; L177-I181 PolarHBondContact O-N 3.17Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.35Å; I181-R184 CarbonylContact O-C 3.56Å; I181-R184 PolarHBondContact O-N 3.47Å; I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.04Å; I181-L185 WeakPolarHBondContact O-CB 3.42Å; I181-L185 VanDerWaalsContact O-CG 3.24Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 2.84Å |
| 182 | G | 90.4 | Very high | 84.6 | Confident | 31 Ų | 31 | 105.8 Ų | 105.8 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.7 | -40.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G178 I179 L185 T186 | G178-G182 PolarHBondContact O-N 3.28Å; I179-G182 PolarHBondContact O-N 2.85Å; G182-L185 PolarHBondContact O-N 2.84Å; G182-T186 PolarHBondContact O-N 2.97Å; G182-T186 PolarHBondContact O-OG1 3.28Å |
| 183 | K | 86.4 | Confident | 83.9 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -45.3 | 174.2 | -73 | 174.9 | 66.7 | 174.5 | 0 | 111.6 | I179 F180 I181 L185 T186 S187 | I179-K183 HydrophobicContact CG2-CD 3.87Å; I179-K183 HydrophobicContact CG2-CG 4.27Å; I179-K183 WeakPolarHBondContact O-CB 3.48Å; I179-K183 VanDerWaalsContact O-CG 3.28Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 2.87Å; F180-K183 PolarHBondContact O-N 3.24Å; I181-K183 VanDerWaalsContact C-N 3.33Å; I181-K183 PolarHBondContact O-N 3.35Å; K183-L185 PolarHBondContact O-N 3.25Å; K183-T186 PolarHBondContact O-N 3Å; K183-S187 WeakPolarHBondContact O-CB 3.47Å; K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 3.18Å |
| 184 | R | 87.9 | Confident | 83.2 | Confident | 172 Ų | 172 | 104.7 Ų | 104.7 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -36.4 | 174.2 | -167.6 | -171 | -174.5 | -166.9 | 3 | 111.3 | F180 I181 S187 H188 | F180-R184 WeakPolarHBondContact O-CB 3.28Å; F180-R184 PolarHBondContact O-N 2.73Å; I181-R184 CarbonylContact O-C 3.56Å; I181-R184 PolarHBondContact O-N 3.47Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-OG 3.07Å; R184-S187 VanDerWaalsContact O-OG 3.07Å; R184-H188 PolarHBondContact O-N 3.18Å; R184-H188 PolarHBondContact O-ND1 3.37Å |
| 185 | L | 85.4 | Confident | 82.4 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.5 | -40.8 | 178.8 | -71.7 | 177.5 | 0 | 0 | 0 | 111.8 | I181 G182 K183 H188 N189 | I181-L185 HydrophobicContact CG2-CD1 3.62Å; I181-L185 HydrophobicContact CG2-CG 4.04Å; I181-L185 WeakPolarHBondContact O-CB 3.42Å; I181-L185 VanDerWaalsContact O-CG 3.24Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 2.84Å; G182-L185 PolarHBondContact O-N 2.84Å; K183-L185 PolarHBondContact O-N 3.25Å; L185-H188 VanDerWaalsContact C-ND1 3.34Å; L185-H188 WeakPolarHBondContact CA-CE1 3.42Å; L185-H188 WeakPolarHBondContact CA-ND1 3.31Å; L185-H188 WeakPolarHBondContact CD2-CE1 3.46Å; L185-H188 PolarHBondContact O-CE1 2.9Å; L185-H188 PolarHBondContact O-ND1 2.87Å; L185-N189 WeakPolarHBondContact O-CB 3.16Å |
| 186 | T | 80 | Confident | 81.5 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68 | -42.1 | 174.7 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | G182 K183 H188 N189 T190 | G182-T186 PolarHBondContact O-N 2.97Å; G182-T186 PolarHBondContact O-OG1 3.28Å; K183-T186 PolarHBondContact O-N 3Å; T186-H188 PolarHBondContact O-N 2.92Å; T186-N189 PolarHBondContact O-N 3.32Å; T186-T190 PolarHBondContact O-OG1 2.95Å |
| 187 | S | 72.4 | Confident | 80.6 | Confident | 67 Ų | 67 | 112.9 Ų | 112.9 | 47% | 0.469 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -30.2 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | K183 R184 T190 | K183-S187 WeakPolarHBondContact O-CB 3.47Å; K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 3.18Å; R184-S187 WeakPolarHBondContact CA-OG 3.38Å; R184-S187 PolarHBondContact O-OG 3.07Å; R184-S187 VanDerWaalsContact O-OG 3.07Å; S187-T190 PolarHBondContact O-OG1 3.4Å |
| 188 | H | 63.7 | Low | 79.5 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.3 | -15.7 | 177.2 | 83.1 | -85.2 | 0 | 0 | 0 | 113.3 | R184 L185 T186 T190 | R184-H188 PolarHBondContact O-N 3.18Å; R184-H188 PolarHBondContact O-ND1 3.37Å; L185-H188 VanDerWaalsContact C-ND1 3.34Å; L185-H188 WeakPolarHBondContact CA-CE1 3.42Å; L185-H188 WeakPolarHBondContact CA-ND1 3.31Å; L185-H188 WeakPolarHBondContact CD2-CE1 3.46Å; L185-H188 PolarHBondContact O-CE1 2.9Å; L185-H188 PolarHBondContact O-ND1 2.87Å; T186-H188 PolarHBondContact O-N 2.92Å; H188-T190 VanDerWaalsContact C-N 3.34Å |
| 189 | N | 61.3 | Low | 78.2 | Confident | 132 Ų | 132 | 118.6 Ų | 118.6 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -2.3 | -178.6 | -148.3 | -9.9 | 0 | 0 | 0 | 112.2 | L185 T186 | L185-N189 WeakPolarHBondContact O-CB 3.16Å; T186-N189 PolarHBondContact O-N 3.32Å |
| 190 | T | 59 | Low | 76.9 | Confident | 109 Ų | 109 | 120.3 Ų | 120.3 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 13.6 | 175.7 | 33.7 | 0 | 0 | 0 | 0 | 114 | T186 S187 H188 | T186-T190 PolarHBondContact O-OG1 2.95Å; S187-T190 PolarHBondContact O-OG1 3.4Å; H188-T190 VanDerWaalsContact C-N 3.34Å |
| 191 | Y | 49.2 | Very low | 75.3 | Confident | 276 Ų | 276 | 119.4 Ų | 119.4 | 100% | 1.082 | 59% | 0.594 | S | S | * | * | trans | -116.7 | 0 | 172.3 | -88.3 | -80.2 | 0 | 0 | 0 | 111.2 |
Retrieved 191 of 191 residues in 202.2 ms
(Link to these results)