| 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 | 52.8 | Low | 52.2 | Low | 249 Ų | 249 | 145.1 Ų | 145.1 | 100% | 1.227 | 84% | 0.839 | S | S | * | * | 0 | 122 | 0 | -77.4 | -179.1 | 168.9 | 0 | 0 | 107.5 | |||||
| 2 | A | 43.8 | Very low | 52.1 | Low | 109 Ų | 109 | 147.3 Ų | 147.3 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | -79.2 | 132.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | C | 48.8 | Very low | 51.2 | Low | 133 Ų | 133 | 147.3 Ų | 147.3 | 90% | 0.899 | 82% | 0.822 | S | S | * | * | trans | -79.9 | 121.3 | 175.3 | -162.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | G | 50.5 | Low | 50.7 | Low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -138.7 | 72.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T6 | G4-T6 PolarHBondContact O-N 3.42Š| ||
| 5 | A | 49.4 | Very low | 50.9 | Low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -88.3 | 94.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | L7 | A5-L7 PolarHBondContact O-N 3.04Š| ||
| 6 | T | 56.1 | Low | 50.9 | Low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 98.9 | 168 | 42 | 0 | 0 | 0 | 0 | 108.6 | G4 K8 | G4-T6 PolarHBondContact O-N 3.42Å; T6-K8 PolarHBondContact O-N 3.44Å | ||
| 7 | L | 50.5 | Low | 51 | Low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -62.9 | 102.7 | 170.9 | -130.3 | 101 | 0 | 0 | 0 | 108.3 | A5 R9 | A5-L7 PolarHBondContact O-N 3.04Å; L7-R9 PolarHBondContact O-N 3.3Å | ||
| 8 | K | 61.9 | Low | 50.4 | Low | 195 Ų | 195 | 137.7 Ų | 137.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -68.5 | 102.1 | 177.2 | -160.8 | -163.3 | -175 | -172.9 | 0 | 108.3 | T6 | T6-K8 PolarHBondContact O-N 3.44Š| ||
| 9 | R | 57 | Low | 50.1 | Low | 199 Ų | 199 | 136.4 Ų | 136.4 | 75% | 0.751 | 78% | 0.775 | S | S | * | * | trans | -60.1 | 136.5 | 169.1 | -69.7 | -172.6 | -73.9 | 132 | 0.3 | 108.8 | L7 M11 | L7-R9 PolarHBondContact O-N 3.3Å; R9-M11 PolarHBondContact O-N 3.22Å | ||
| 10 | S | 49.3 | Very low | 49.8 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -61.3 | 122.3 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | E12 | S10-E12 PolarHBondContact O-N 3.35Š| ||
| 11 | M | 53.8 | Low | 49.1 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 4.2 | -174.8 | -87 | -72.6 | -63.2 | 0 | 0 | 114.9 | R9 | R9-M11 PolarHBondContact O-N 3.22Š|
| 12 | E | 51.4 | Low | 48.8 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -30.5 | -173.6 | -153.1 | -160.7 | 151.2 | 0 | 0 | 112.8 | S10 | S10-E12 PolarHBondContact O-N 3.35Š|
| 13 | F | 40 | Very low | 48.8 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -86 | -18.2 | -169.5 | -155.5 | -101.3 | 0 | 0 | 0 | 114.4 | L17 | F13-L17 HydrophobicContact CD1-CD1 4Å; F13-L17 HydrophobicContact CE1-CD1 3.66Å |
| 14 | E | 44.9 | Very low | 48.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 53% | 0.528 | 76% | 0.757 | S | S | . | * | G | 310 helix | trans | -77.1 | -22.5 | -176.8 | -164.1 | 173.2 | 163.1 | 0 | 0 | 112.9 | L16 L17 | E14-L16 PolarHBondContact O-N 2.86Å; E14-L17 PolarHBondContact O-N 2.79Å |
| 15 | A | 53.5 | Low | 48.5 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -67.6 | -20.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 16 | L | 50.3 | Low | 48.5 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -93 | -7.5 | -176.3 | -62.1 | 177.9 | 0 | 0 | 0 | 113.9 | E14 | E14-L16 PolarHBondContact O-N 2.86Š|
| 17 | L | 53.3 | Low | 47.6 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 0.5 | -171.4 | -73.6 | 156.4 | 0 | 0 | 0 | 114.3 | F13 E14 | F13-L17 HydrophobicContact CD1-CD1 4Å; F13-L17 HydrophobicContact CE1-CD1 3.66Å; E14-L17 PolarHBondContact O-N 2.79Å |
| 18 | S | 40.6 | Very low | 47.5 | Very low | 89 Ų | 89 | 153 Ų | 153 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -94.1 | 123.4 | -176.3 | -157.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 19 | P | 43.4 | Very low | 46.5 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -79.8 | 122 | 171.7 | 11.4 | 3.1 | 0 | 0 | 0 | 111.2 | ||||
| 20 | Q | 44.8 | Very low | 45.8 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 76.5 | 123.6 | 150.8 | -161.5 | 175 | 14.2 | 0 | 0 | 119.7 | ||||
| 21 | S | 35.4 | Very low | 45.5 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 178.5 | 107.3 | 125.1 | -82.6 | 0 | 0 | 0 | 0 | 114.2 | K23 | S21-K23 VanDerWaalsContact C-N 3.29Å; S21-K23 PolarHBondContact O-N 3.31Å | |||
| 22 | P | 45.6 | Very low | 45.2 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -71.9 | 19.5 | -178.2 | -22.6 | 35 | 0 | 0 | 0 | 118.9 | ||||
| 23 | K | 45.1 | Very low | 44.7 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -130.6 | 73.7 | -169.9 | -99.1 | 163.1 | 177.3 | 167.2 | 0 | 113.2 | S21 | S21-K23 VanDerWaalsContact C-N 3.29Å; S21-K23 PolarHBondContact O-N 3.31Å | ||
| 24 | R | 47.1 | Very low | 44.7 | Very low | 245 Ų | 245 | 142.8 Ų | 142.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -165.6 | 83.1 | 151.6 | -106.9 | 169.7 | 135.1 | -133 | -11.4 | 109.1 | ||||
| 25 | R | 44.7 | Very low | 44.4 | Very low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | 52.9 | 94.6 | 109.9 | -98.4 | -173.3 | 166.3 | -151.5 | -1.1 | 114.7 | |||||
| 26 | R | 49.8 | Very low | 43.7 | Very low | 220 Ų | 220 | 145 Ų | 145 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | 54.1 | 102.1 | 118.1 | -150.3 | -178.9 | -154.2 | -130.6 | 6.2 | 116.8 | |||||
| 27 | C | 36.5 | Very low | 43.4 | Very low | 131 Ų | 131 | 144 Ų | 144 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -123.5 | 129.8 | 148.7 | -75.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 28 | N | 48.2 | Very low | 42.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 152.7 | 172.6 | -77.9 | 6.6 | 0 | 0 | 0 | 111 | ||
| 29 | P | 41.3 | Very low | 42.4 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 129.3 | 168.2 | 1.5 | 15.3 | 0 | 0 | 0 | 110.3 | ||
| 30 | L | 42.5 | Very low | 42.2 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.6 | 162.9 | -83.8 | 151.9 | 0 | 0 | 0 | 109.4 | ||
| 31 | P | 43.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -79.2 | 136.1 | -179.6 | 32 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 32 | G | 48.1 | Very low | 41.5 | Very low | 75 Ų | 75 | 151.7 Ų | 151.7 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | 114.1 | 67.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 33 | T | 40.2 | Very low | 41.1 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -139.5 | 134 | 150.7 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | S35 | T33-S35 PolarHBondContact O-N 3.1Š| ||
| 34 | P | 39.8 | Very low | 40.6 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 125.5 | 175.8 | 26.7 | -30.9 | 0 | 0 | 0 | 110 | T36 | P34-T36 PolarHBondContact O-N 3.38Š|
| 35 | S | 38.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 117.6 | 174.4 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | T33 | T33-S35 PolarHBondContact O-N 3.1Š|
| 36 | T | 39.8 | Very low | 39.8 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 128.4 | 156.9 | 38 | 0 | 0 | 0 | 0 | 108.8 | P34 S38 | P34-T36 PolarHBondContact O-N 3.38Å; T36-S38 PolarHBondContact O-N 3.22Å |
| 37 | P | 42.1 | Very low | 39.3 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.7 | 178.5 | 29 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 38 | S | 34.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 148.6 | 165.6 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | T36 Q40 | T36-S38 PolarHBondContact O-N 3.22Å; S38-Q40 PolarHBondContact O-N 3.02Å; S38-Q40 VanDerWaalsContact O-N 3.1Å |
| 39 | P | 38 | Very low | 39 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 109.9 | 179.3 | 29.7 | -30.8 | 0 | 0 | 0 | 109.4 | R41 | P39-R41 PolarHBondContact O-N 3.43Š| ||
| 40 | Q | 40.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -70.1 | 127.4 | 167.9 | -74.2 | -169.5 | -36.4 | 0 | 0 | 109.2 | S38 C42 | S38-Q40 PolarHBondContact O-N 3.02Å; S38-Q40 VanDerWaalsContact O-N 3.1Å; Q40-C42 PolarHBondContact O-N 3.48Å | ||
| 41 | R | 36.6 | Very low | 38.9 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -48.9 | 124.6 | 168 | -83.2 | -176.2 | 152.1 | -168.9 | -5.8 | 110.3 | P39 N43 | P39-R41 PolarHBondContact O-N 3.43Å; R41-N43 PolarHBondContact O-N 2.76Å; R41-N43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | C | 28.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -59.2 | 109.2 | 169.9 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | Q40 | Q40-C42 PolarHBondContact O-N 3.48Š| ||
| 43 | N | 35.9 | Very low | 37.9 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | trans | -101.1 | 104.7 | 157.8 | -74.8 | -16.2 | 0 | 0 | 0 | 107.2 | R41 R45 | R41-N43 PolarHBondContact O-N 2.76Å; R41-N43 VanDerWaalsContact O-N 3.13Å; N43-R45 PolarHBondContact O-N 3.28Å | ||
| 44 | L | 34.5 | Very low | 37.6 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -64.2 | 111.7 | 167.7 | -94.4 | 69.5 | 0 | 0 | 0 | 108.5 | ||||
| 45 | R | 39.3 | Very low | 37.6 | Very low | 242 Ų | 242 | 145 Ų | 145 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | -123.6 | 123.2 | 159.1 | -80.2 | -172.7 | 172.3 | 177.5 | -2.3 | 108.5 | N43 | N43-R45 PolarHBondContact O-N 3.28Š| ||
| 46 | T | 35.8 | Very low | 37.5 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | -68 | 145.9 | 173.9 | 37.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 47 | P | 40.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -91.5 | 135.2 | 177.5 | 35.3 | -28.7 | 0 | 0 | 0 | 110.8 | ||||
| 48 | V | 40.1 | Very low | 37.5 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -137.8 | 136.3 | 154.7 | 162.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 49 | D | 38 | Very low | 37.8 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -40.3 | 157.8 | 179.8 | -148.3 | -119.6 | 0 | 0 | 0 | 117.9 | ||||
| 50 | S | 34.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -83.6 | -165.3 | -168.1 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 51 | P | 48.3 | Very low | 38.7 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | cis | -136.8 | 160.1 | -13.3 | 34 | -13.1 | 0 | 0 | 0 | 116.6 | ||||
| 52 | G | 33.3 | Very low | 38.9 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 133.3 | 125.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 53 | H | 35.8 | Very low | 39.9 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | 87.1 | 91 | 165.1 | -67.4 | -61.2 | 0 | 0 | 0 | 121.6 | ||||
| 54 | S | 35.6 | Very low | 41 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 36 | 114.5 | 117.7 | -153.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 55 | M | 39 | Very low | 42.5 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 65.1 | 100 | 141.5 | -56.3 | -67.1 | -107.7 | 0 | 0 | 120.4 | ||||
| 56 | S | 36.5 | Very low | 44.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 164.3 | 133.9 | 128.7 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | Q58 | S56-Q58 PolarHBondContact O-N 3.38Š| |||
| 57 | P | 42.2 | Very low | 46.6 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 114.2 | 172.6 | 15.8 | -4.2 | 0 | 0 | 0 | 110.6 | ||||
| 58 | Q | 39.2 | Very low | 48.6 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -63.2 | 140 | 170.7 | -69.9 | -90.6 | -48.5 | 0 | 0 | 110.4 | S56 I60 | S56-Q58 PolarHBondContact O-N 3.38Å; Q58-I60 PolarHBondContact O-N 3.46Å | ||
| 59 | P | 42.5 | Very low | 50.8 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -68.3 | 130.6 | -177 | 27.6 | -32.1 | 0 | 0 | 0 | 111.2 | G61 | P59-G61 PolarHBondContact O-N 2.83Š| ||
| 60 | I | 47.8 | Very low | 53.2 | Low | 187 Ų | 187 | 124.4 Ų | 124.4 | 96% | 0.959 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -66.2 | 96.1 | 165.9 | -62.6 | 164.3 | 0 | 0 | 0 | 106.6 | Q58 | Q58-I60 PolarHBondContact O-N 3.46Š|
| 61 | G | 49.7 | Very low | 55.8 | Low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | trans | -175.2 | 35.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P59 E63 | P59-G61 PolarHBondContact O-N 2.83Å; G61-E63 PolarHBondContact O-N 3.36Å | ||
| 62 | G | 40.3 | Very low | 57.9 | Low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -86.4 | 91.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | H64 | G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.88Å | ||
| 63 | E | 49.6 | Very low | 60.7 | Low | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | trans | -51.5 | 106.5 | 159.5 | -74 | -109.2 | 126.6 | 0 | 0 | 106.6 | G61 R65 | G61-E63 PolarHBondContact O-N 3.36Å; E63-R65 HydrophobicContact CB-CB 4.04Å; E63-R65 PolarHBondContact O-N 3.19Å | ||
| 64 | H | 60 | Low | 63.2 | Low | 186 Ų | 186 | 120.5 Ų | 120.5 | 86% | 0.861 | 66% | 0.656 | S | S | * | * | trans | -69.3 | 45.1 | 165.7 | -67.8 | -71.7 | 0 | 0 | 0 | 109.8 | G62 L66 | G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.88Å; H64-L66 PolarHBondContact O-N 3.02Å | ||
| 65 | R | 65.4 | Low | 66 | Low | 203 Ų | 203 | 121 Ų | 121 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | trans | -81.1 | 94.1 | 178.9 | -173.1 | 168 | 164.8 | 179 | -5.8 | 106 | E63 T67 | E63-R65 HydrophobicContact CB-CB 4.04Å; E63-R65 PolarHBondContact O-N 3.19Å; R65-T67 PolarHBondContact O-N 3.45Å | ||
| 66 | L | 77.3 | Confident | 68.6 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 44% | 0.44 | 64% | 0.639 | S | S | . | * | trans | -47.5 | 135.6 | 174.6 | -60.8 | 175.4 | 0 | 0 | 0 | 109.3 | H64 Q70 I71 | H64-L66 PolarHBondContact O-N 3.02Å; L66-Q70 HydrophobicContact CB-CB 4.24Å; L66-I71 HydrophobicContact CB-CD1 4.18Å; L66-I71 HydrophobicContact CB-CG1 3.59Å; L66-I71 HydrophobicContact CD1-CG1 4.26Å | ||
| 67 | T | 84.1 | Confident | 71.3 | Confident | 71 Ų | 71 | 121.2 Ų | 121.2 | 44% | 0.436 | 63% | 0.63 | S | S | . | * | trans | -61.1 | 149.3 | 172.4 | 60.3 | 0 | 0 | 0 | 0 | 109.1 | R65 E69 Q70 I71 | R65-T67 PolarHBondContact O-N 3.45Å; T67-E69 PolarHBondContact O-N 3.43Å; T67-E69 VanDerWaalsContact O-N 3.09Å; T67-Q70 WeakPolarHBondContact O-CA 3.43Å; T67-Q70 WeakPolarHBondContact O-CB 3.29Å; T67-Q70 PolarHBondContact O-N 3.01Å; T67-Q70 PolarHBondContact OG1-N 3.49Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 2.8Å | ||
| 68 | P | 80.9 | Confident | 73.6 | Confident | 94 Ų | 94 | 118.7 Ų | 118.7 | 61% | 0.61 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -49.9 | -36.7 | 177.2 | -28 | 36 | 0 | 0 | 0 | 113 | I71 F72 | P68-I71 PolarHBondContact O-N 3.12Å; P68-F72 PolarHBondContact O-N 3.34Å |
| 69 | E | 87.6 | Confident | 76.2 | Confident | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.4 | -38.9 | 176.6 | -71 | 65.6 | -147.3 | 0 | 0 | 112.6 | T67 F72 Q73 | T67-E69 PolarHBondContact O-N 3.43Å; T67-E69 VanDerWaalsContact O-N 3.09Å; E69-F72 PolarHBondContact O-N 2.95Å; E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.43Å |
| 70 | Q | 88.1 | Confident | 78.5 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -36.9 | 173.5 | -93.2 | -178.7 | -10.3 | 0 | 0 | 112.1 | L66 T67 F72 Q73 N74 | L66-Q70 HydrophobicContact CB-CB 4.24Å; T67-Q70 WeakPolarHBondContact O-CA 3.43Å; T67-Q70 WeakPolarHBondContact O-CB 3.29Å; T67-Q70 PolarHBondContact O-N 3.01Å; T67-Q70 PolarHBondContact OG1-N 3.49Å; Q70-F72 VanDerWaalsContact C-N 3.33Å; Q70-Q73 PolarHBondContact O-N 3.13Å; Q70-N74 WeakPolarHBondContact O-CB 3.46Å; Q70-N74 PolarHBondContact O-N 2.8Å; Q70-N74 PolarHBondContact O-ND2 3.14Å |
| 71 | I | 89.8 | Confident | 80.7 | Confident | 90 Ų | 90 | 113.3 Ų | 113.3 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -44.7 | 174.6 | -63.2 | 170.6 | 0 | 0 | 0 | 109.3 | L66 T67 P68 Q73 N74 L75 | L66-I71 HydrophobicContact CB-CD1 4.18Å; L66-I71 HydrophobicContact CB-CG1 3.59Å; L66-I71 HydrophobicContact CD1-CG1 4.26Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 2.8Å; P68-I71 PolarHBondContact O-N 3.12Å; I71-Q73 PolarHBondContact O-N 2.82Å; I71-N74 PolarHBondContact O-N 3.41Å; I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 PolarHBondContact O-N 2.89Å |
| 72 | F | 91.8 | Very high | 82.6 | Confident | 133 Ų | 133 | 113 Ų | 113 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 177.5 | -174.7 | -101.3 | 0 | 0 | 0 | 112.4 | P68 E69 Q70 L75 R76 | P68-F72 PolarHBondContact O-N 3.34Å; E69-F72 PolarHBondContact O-N 2.95Å; Q70-F72 VanDerWaalsContact C-N 3.33Å; F72-L75 PolarHBondContact O-N 3.39Å; F72-R76 WeakPolarHBondContact O-CB 3.26Å; F72-R76 PolarHBondContact O-N 3.06Å |
| 73 | Q | 91.3 | Very high | 84.7 | Confident | 114 Ų | 114 | 114 Ų | 114 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.9 | -74.3 | -177.7 | 44.4 | 0 | 0 | 112.3 | E69 Q70 I71 R76 Q77 | E69-Q73 WeakPolarHBondContact O-CG 3.42Å; E69-Q73 PolarHBondContact O-N 3.43Å; Q70-Q73 PolarHBondContact O-N 3.13Å; I71-Q73 PolarHBondContact O-N 2.82Å; Q73-R76 PolarHBondContact O-N 2.78Å; Q73-Q77 WeakPolarHBondContact O-CB 3.4Å; Q73-Q77 VanDerWaalsContact O-CG 3.29Å; Q73-Q77 WeakPolarHBondContact O-CG 3.22Å; Q73-Q77 PolarHBondContact O-N 2.96Å |
| 74 | N | 89.4 | Confident | 86.4 | Confident | 77 Ų | 77 | 115.5 Ų | 115.5 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.4 | -90 | -77.1 | 0 | 0 | 0 | 111.2 | Q70 I71 R76 Q77 E78 | Q70-N74 WeakPolarHBondContact O-CB 3.46Å; Q70-N74 PolarHBondContact O-N 2.8Å; Q70-N74 PolarHBondContact O-ND2 3.14Å; I71-N74 PolarHBondContact O-N 3.41Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 3.23Å; N74-Q77 PolarHBondContact O-N 3.08Å; N74-E78 VanDerWaalsContact O-CB 3.29Å; N74-E78 WeakPolarHBondContact O-CB 3.43Å; N74-E78 PolarHBondContact O-N 3.42Å |
| 75 | L | 93.8 | Very high | 87.5 | Confident | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 178.9 | -171.3 | 64.6 | 0 | 0 | 0 | 111.4 | I71 F72 E78 Y79 | I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 PolarHBondContact O-N 2.89Å; F72-L75 PolarHBondContact O-N 3.39Å; L75-E78 PolarHBondContact O-N 3.32Å; L75-Y79 WeakPolarHBondContact O-CB 3.44Å; L75-Y79 PolarHBondContact O-N 3.47Å |
| 76 | R | 93.9 | Very high | 88.2 | Confident | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 176.4 | -169 | 178.1 | -177.6 | 173 | 1.7 | 112.4 | F72 Q73 N74 S80 | F72-R76 WeakPolarHBondContact O-CB 3.26Å; F72-R76 PolarHBondContact O-N 3.06Å; Q73-R76 PolarHBondContact O-N 2.78Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 3.23Å; R76-S80 WeakPolarHBondContact O-CB 3.37Å; R76-S80 PolarHBondContact O-N 3.12Å; R76-S80 PolarHBondContact O-OG 2.81Å |
| 77 | Q | 92.3 | Very high | 88 | Confident | 107 Ų | 107 | 114 Ų | 114 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -43 | 176.3 | -71.8 | 177.1 | 23.7 | 0 | 0 | 111.4 | Q73 N74 S80 R81 | Q73-Q77 WeakPolarHBondContact O-CB 3.4Å; Q73-Q77 VanDerWaalsContact O-CG 3.29Å; Q73-Q77 WeakPolarHBondContact O-CG 3.22Å; Q73-Q77 PolarHBondContact O-N 2.96Å; N74-Q77 PolarHBondContact O-N 3.08Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-R81 WeakPolarHBondContact O-CB 3.29Å; Q77-R81 PolarHBondContact O-N 2.83Å |
| 78 | E | 91.8 | Very high | 86.8 | Confident | 70 Ų | 70 | 117.1 Ų | 117.1 | 33% | 0.327 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 178.4 | -162.1 | 62.2 | -129.1 | 0 | 0 | 110.7 | N74 L75 S80 R81 I82 | N74-E78 VanDerWaalsContact O-CB 3.29Å; N74-E78 WeakPolarHBondContact O-CB 3.43Å; N74-E78 PolarHBondContact O-N 3.42Å; L75-E78 PolarHBondContact O-N 3.32Å; E78-S80 VanDerWaalsContact C-N 3.32Å; E78-S80 PolarHBondContact O-N 3.42Å; E78-R81 VanDerWaalsContact CD-NH1 3.26Å; E78-R81 WeakPolarHBondContact O-CB 3.41Å; E78-R81 PolarHBondContact O-N 3.39Å; E78-R81 VanDerWaalsContact O-N 3.14Å; E78-R81 IonicContact OE1-CZ 3.57Å; E78-R81 IonicContact OE1-NH1 2.69Å; E78-R81 PolarHBondContact OE1-NH1 3.37Å; E78-R81 VanDerWaalsContact OE1-NH1 3.13Å; E78-R81 IonicContact OE2-CZ 3.62Å; E78-R81 VanDerWaalsContact OE2-CZ 3.32Å; E78-R81 IonicContact OE2-NH1 3.63Å; E78-R81 PolarHBondContact OE2-NH1 3.48Å; E78-R81 IonicContact OE2-NH2 2.72Å; E78-I82 HydrophobicContact CG-CD1 3.93Å; E78-I82 HydrophobicContact CG-CG1 4.5Å; E78-I82 WeakPolarHBondContact O-CB 3.48Å; E78-I82 VanDerWaalsContact O-CG1 3.26Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 2.98Å |
| 79 | Y | 92 | Very high | 85.8 | Confident | 157 Ų | 157 | 116.9 Ų | 116.9 | 62% | 0.616 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -44.4 | 174.4 | -171.1 | -93 | 0 | 0 | 0 | 111.6 | L75 R81 I82 Q83 | L75-Y79 WeakPolarHBondContact O-CB 3.44Å; L75-Y79 PolarHBondContact O-N 3.47Å; Y79-R81 VanDerWaalsContact C-N 3.34Å; Y79-R81 PolarHBondContact O-N 2.93Å; Y79-I82 PolarHBondContact O-N 3.23Å; Y79-Q83 VanDerWaalsContact O-CB 3.29Å; Y79-Q83 WeakPolarHBondContact O-CB 3.33Å; Y79-Q83 PolarHBondContact O-N 3.12Å |
| 80 | S | 92.1 | Very high | 84.3 | Confident | 65 Ų | 65 | 112.8 Ų | 112.8 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | R76 Q77 E78 Q83 R84 | R76-S80 WeakPolarHBondContact O-CB 3.37Å; R76-S80 PolarHBondContact O-N 3.12Å; R76-S80 PolarHBondContact O-OG 2.81Å; Q77-S80 PolarHBondContact O-N 2.92Å; E78-S80 VanDerWaalsContact C-N 3.32Å; E78-S80 PolarHBondContact O-N 3.42Å; S80-Q83 PolarHBondContact O-N 3.41Å; S80-R84 WeakPolarHBondContact O-CB 3.41Å; S80-R84 PolarHBondContact O-N 2.94Å |
| 81 | R | 93.6 | Very high | 82.6 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 176.9 | -165.6 | -169.4 | -61.4 | 150.6 | 3.5 | 111.1 | Q77 E78 Y79 R84 R85 | Q77-R81 WeakPolarHBondContact O-CB 3.29Å; Q77-R81 PolarHBondContact O-N 2.83Å; E78-R81 VanDerWaalsContact CD-NH1 3.26Å; E78-R81 WeakPolarHBondContact O-CB 3.41Å; E78-R81 PolarHBondContact O-N 3.39Å; E78-R81 VanDerWaalsContact O-N 3.14Å; E78-R81 IonicContact OE1-CZ 3.57Å; E78-R81 IonicContact OE1-NH1 2.69Å; E78-R81 PolarHBondContact OE1-NH1 3.37Å; E78-R81 VanDerWaalsContact OE1-NH1 3.13Å; E78-R81 IonicContact OE2-CZ 3.62Å; E78-R81 VanDerWaalsContact OE2-CZ 3.32Å; E78-R81 IonicContact OE2-NH1 3.63Å; E78-R81 PolarHBondContact OE2-NH1 3.48Å; E78-R81 IonicContact OE2-NH2 2.72Å; Y79-R81 VanDerWaalsContact C-N 3.34Å; Y79-R81 PolarHBondContact O-N 2.93Å; R81-R84 PolarHBondContact O-N 3.33Å; R81-R85 PolarHBondContact O-N 3.13Å |
| 82 | I | 89.4 | Confident | 80.4 | Confident | 61 Ų | 61 | 115.1 Ų | 115.1 | 31% | 0.313 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.8 | -71 | 165.9 | 0 | 0 | 0 | 110.5 | E78 Y79 R84 R85 R86 | E78-I82 HydrophobicContact CG-CD1 3.93Å; E78-I82 HydrophobicContact CG-CG1 4.5Å; E78-I82 WeakPolarHBondContact O-CB 3.48Å; E78-I82 VanDerWaalsContact O-CG1 3.26Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 2.98Å; Y79-I82 PolarHBondContact O-N 3.23Å; I82-R84 VanDerWaalsContact C-N 3.34Å; I82-R84 PolarHBondContact O-N 3.44Å; I82-R85 PolarHBondContact O-N 2.64Å; I82-R86 HydrophobicContact CG2-CG 4.48Å; I82-R86 PolarHBondContact O-N 2.9Å |
| 83 | Q | 84.7 | Confident | 78.2 | Confident | 83 Ų | 83 | 114.4 Ų | 114.4 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.9 | -171.1 | 67.9 | -5.4 | 0 | 0 | 111.5 | Y79 S80 R86 Q87 | Y79-Q83 VanDerWaalsContact O-CB 3.29Å; Y79-Q83 WeakPolarHBondContact O-CB 3.33Å; Y79-Q83 PolarHBondContact O-N 3.12Å; S80-Q83 PolarHBondContact O-N 3.41Å; Q83-R86 PolarHBondContact O-N 3.4Å; Q83-Q87 WeakPolarHBondContact O-CG 3.29Å; Q83-Q87 PolarHBondContact O-N 2.93Å |
| 84 | R | 86.1 | Confident | 75.9 | Confident | 183 Ų | 183 | 116.7 Ų | 116.7 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 174.3 | -168.3 | -170.6 | -64.9 | 163 | -1.8 | 111.9 | S80 R81 I82 Q87 L88 | S80-R84 WeakPolarHBondContact O-CB 3.41Å; S80-R84 PolarHBondContact O-N 2.94Å; R81-R84 PolarHBondContact O-N 3.33Å; I82-R84 VanDerWaalsContact C-N 3.34Å; I82-R84 PolarHBondContact O-N 3.44Å; R84-Q87 PolarHBondContact O-N 3.48Å; R84-L88 PolarHBondContact O-N 3Å |
| 85 | R | 81.8 | Confident | 73.7 | Confident | 154 Ų | 154 | 118.1 Ų | 118.1 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.2 | -43.7 | 176.4 | -165.1 | 179.4 | 79.7 | -162.8 | 1 | 111.5 | R81 I82 Q87 L88 E89 | R81-R85 PolarHBondContact O-N 3.13Å; I82-R85 PolarHBondContact O-N 2.64Å; R85-Q87 PolarHBondContact O-N 3.38Å; R85-L88 WeakPolarHBondContact O-CB 3.48Å; R85-L88 PolarHBondContact O-N 3.41Å; R85-E89 IonicContact NE-OE1 3.91Å; R85-E89 PolarHBondContact O-N 2.97Å; R85-E89 VanDerWaalsContact O-N 3.1Å |
| 86 | R | 80.1 | Confident | 71.1 | Confident | 156 Ų | 156 | 121 Ų | 121 | 59% | 0.589 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -32.9 | 178.2 | -78.5 | -177.4 | 164.8 | -87.2 | 1.3 | 113.5 | I82 Q83 L88 E89 G90 | I82-R86 HydrophobicContact CG2-CG 4.48Å; I82-R86 PolarHBondContact O-N 2.9Å; Q83-R86 PolarHBondContact O-N 3.4Å; R86-L88 VanDerWaalsContact C-N 3.33Å; R86-E89 PolarHBondContact O-N 2.91Å; R86-G90 PolarHBondContact O-N 3.34Å |
| 87 | Q | 74.2 | Confident | 68.5 | Low | 132 Ų | 132 | 116.5 Ų | 116.5 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -36.4 | 173.5 | -73.4 | 179 | 20.5 | 0 | 0 | 112.1 | Q83 R84 R85 A91 | Q83-Q87 WeakPolarHBondContact O-CG 3.29Å; Q83-Q87 PolarHBondContact O-N 2.93Å; R84-Q87 PolarHBondContact O-N 3.48Å; R85-Q87 PolarHBondContact O-N 3.38Å; Q87-A91 PolarHBondContact O-N 2.96Å |
| 88 | L | 59.3 | Low | 65.7 | Low | 137 Ų | 137 | 117 Ų | 117 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -40.6 | 172.3 | -115.1 | 84.7 | 0 | 0 | 0 | 112 | R84 R85 R86 | R84-L88 PolarHBondContact O-N 3Å; R85-L88 WeakPolarHBondContact O-CB 3.48Å; R85-L88 PolarHBondContact O-N 3.41Å; R86-L88 VanDerWaalsContact C-N 3.33Å |
| 89 | E | 58.4 | Low | 63.2 | Low | 88 Ų | 88 | 120 Ų | 120 | 41% | 0.411 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.2 | -34.6 | 176.8 | -69.5 | 167.7 | 173.4 | 0 | 0 | 112.3 | R85 R86 F92 N93 | R85-E89 IonicContact NE-OE1 3.91Å; R85-E89 PolarHBondContact O-N 2.97Å; R85-E89 VanDerWaalsContact O-N 3.1Å; R86-E89 PolarHBondContact O-N 2.91Å; E89-F92 PolarHBondContact O-N 3.47Å; E89-N93 PolarHBondContact O-N 3.2Å; E89-N93 PolarHBondContact O-ND2 3.01Å |
| 90 | G | 55.8 | Low | 60.7 | Low | 40 Ų | 40 | 117.2 Ų | 117.2 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.3 | -34.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R86 F92 | R86-G90 PolarHBondContact O-N 3.34Å; G90-F92 VanDerWaalsContact C-N 3.31Å |
| 91 | A | 52.2 | Low | 58.2 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 59% | 0.587 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -29.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q87 T95 | Q87-A91 PolarHBondContact O-N 2.96Å; A91-T95 PolarHBondContact O-OG1 3.33Å |
| 92 | F | 45.5 | Very low | 55.6 | Low | 160 Ų | 160 | 120.6 Ų | 120.6 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.3 | -34.2 | -179.7 | -169 | -101.1 | 0 | 0 | 0 | 113 | E89 G90 T95 | E89-F92 PolarHBondContact O-N 3.47Å; G90-F92 VanDerWaalsContact C-N 3.31Å; F92-T95 PolarHBondContact O-OG1 2.96Å; F92-T95 VanDerWaalsContact O-OG1 3.04Å |
| 93 | N | 44.5 | Very low | 53.1 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.3 | -17.6 | 179.6 | -77.2 | -80.5 | 0 | 0 | 0 | 114.1 | E89 | E89-N93 PolarHBondContact O-N 3.2Å; E89-N93 PolarHBondContact O-ND2 3.01Å |
| 94 | Q | 43.9 | Very low | 51.5 | Low | 161 Ų | 161 | 123.9 Ų | 123.9 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -83.2 | -18.5 | -178.8 | -154.1 | 168.3 | 102.2 | 0 | 0 | 112.9 | E96 | Q94-E96 VanDerWaalsContact C-N 3.3Å; Q94-E96 PolarHBondContact O-N 3.4Å |
| 95 | T | 42 | Very low | 49.3 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -15.8 | 179.2 | 2 | 0 | 0 | 0 | 0 | 114.4 | A91 F92 | A91-T95 PolarHBondContact O-OG1 3.33Å; F92-T95 PolarHBondContact O-OG1 2.96Å; F92-T95 VanDerWaalsContact O-OG1 3.04Å |
| 96 | E | 39.5 | Very low | 47.8 | Very low | 176 Ų | 176 | 118.6 Ų | 118.6 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 4.5 | -178.7 | -65 | -70.2 | 135.1 | 0 | 0 | 113.5 | Q94 | Q94-E96 VanDerWaalsContact C-N 3.3Å; Q94-E96 PolarHBondContact O-N 3.4Å |
| 97 | A | 39.3 | Very low | 46 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -116 | 15.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 98 | C | 33.3 | Very low | 44.3 | Very low | 117 Ų | 117 | 117 Ų | 117 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -144.5 | 80.5 | 177.9 | -140.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 99 | S | 40 | Very low | 43.7 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 92% | 0.923 | 72% | 0.722 | S | S | * | * | trans | -99.3 | 97.3 | 150.6 | -81.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 100 | S | 38.8 | Very low | 43.3 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 177.1 | 118.1 | 139.5 | -159.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 101 | S | 39.2 | Very low | 43 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 71.8 | 116 | 143.4 | -52.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 102 | D | 40 | Very low | 42.5 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 38.6 | 114.4 | 137.9 | -87.4 | -31.6 | 0 | 0 | 0 | 122.3 | ||||
| 103 | A | 36.2 | Very low | 42.7 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | 172.1 | 155.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 104 | P | 51.3 | Low | 42.9 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -103.3 | 140.6 | -171.8 | 36.7 | -28.8 | 0 | 0 | 0 | 116.6 | ||||
| 105 | S | 39.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 65.8 | 164.3 | 148.7 | -48.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 106 | P | 51.8 | Low | 43.5 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | cis | -133.9 | 164.4 | -2.5 | 39.8 | -20.9 | 0 | 0 | 0 | 117.4 | ||||
| 107 | S | 41.5 | Very low | 44 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 47 | 122.6 | 146 | 57.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 108 | T | 38.5 | Very low | 44.3 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -144.6 | 115.3 | 130.7 | 15.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | S | 46.7 | Very low | 45.1 | Very low | 103 Ų | 103 | 117.5 Ų | 117.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 128.3 | 170.6 | 41.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 110 | L | 49.3 | Very low | 45.6 | Very low | 181 Ų | 181 | 116.3 Ų | 116.3 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | trans | -135.4 | 109.9 | 151.2 | -71.3 | 177.3 | 0 | 0 | 0 | 109 | ||||
| 111 | T | 50.3 | Low | 46.2 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 141.5 | 172.8 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 112 | A | 42 | Very low | 46.8 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 143.7 | 160.8 | 130.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 113 | P | 50.2 | Low | 47.4 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | cis | -121.4 | 165.1 | -47.7 | 32.9 | -17.4 | 0 | 0 | 0 | 111.8 | ||||
| 114 | S | 47.3 | Very low | 48.1 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -26.7 | 127.1 | 167.8 | 41.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 115 | S | 48.3 | Very low | 48.7 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -123.4 | 140.6 | 147.8 | -67.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 116 | P | 50 | Low | 50.3 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -63.4 | 142.4 | -174.1 | 25.1 | -31.9 | 0 | 0 | 0 | 110.6 | G118 | P116-G118 PolarHBondContact O-N 2.91Š| ||
| 117 | P | 51.3 | Low | 51.6 | Low | 136 Ų | 136 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -70.1 | 79.1 | 170.3 | 29.2 | -30.7 | 0 | 0 | 0 | 108.6 | A119 | P117-A119 PolarHBondContact O-N 3.32Š| ||
| 118 | G | 44.6 | Very low | 54 | Low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -67.6 | 113.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P116 | P116-G118 PolarHBondContact O-N 2.91Š| ||
| 119 | A | 51.4 | Low | 56.5 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -55.6 | 157.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P117 | P117-A119 PolarHBondContact O-N 3.32Š| ||
| 120 | S | 49.8 | Very low | 58.6 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 88 | 39 | 159.9 | -53.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 121 | R | 51.9 | Low | 60.7 | Low | 236 Ų | 236 | 130 Ų | 130 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -115.6 | 11.5 | 154 | -60.6 | -79.5 | -92.9 | -94.2 | -2.6 | 112.9 | ||
| 122 | K | 50.4 | Low | 62.9 | Low | 205 Ų | 205 | 126.4 Ų | 126.4 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.8 | 3.8 | -174.1 | -144.8 | 177.4 | 179.1 | -175.2 | 0 | 114 | ||
| 123 | D | 52.3 | Low | 65.3 | Low | 154 Ų | 154 | 125.2 Ų | 125.2 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -112 | 14.5 | -179.7 | -153.3 | 45.6 | 0 | 0 | 0 | 112.5 | P125 | D123-P125 WeakPolarHBondContact O-CD 3.5Š|
| 124 | Q | 52.6 | Low | 67.5 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -97.1 | 113 | 168.8 | -162.8 | 170.9 | 44.1 | 0 | 0 | 107.6 | S126 | Q124-S126 VanDerWaalsContact C-N 3.31Å; Q124-S126 PolarHBondContact O-N 3.09Å |
| 125 | P | 64.1 | Low | 69.8 | Low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | trans | -63 | 100 | 171.5 | 24.4 | -30 | 0 | 0 | 0 | 107.3 | D123 | D123-P125 WeakPolarHBondContact O-CD 3.5Š| ||
| 126 | S | 71.6 | Confident | 72.1 | Confident | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -90.1 | 111.3 | 175.8 | 44.7 | 0 | 0 | 0 | 0 | 107.1 | Q124 T128 | Q124-S126 VanDerWaalsContact C-N 3.31Å; Q124-S126 PolarHBondContact O-N 3.09Å; S126-T128 PolarHBondContact O-N 2.69Å | ||
| 127 | F | 79.3 | Confident | 74.3 | Confident | 142 Ų | 142 | 123.5 Ų | 123.5 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | trans | -70.6 | 127.9 | 173.4 | -66.7 | -80.5 | 0 | 0 | 0 | 108.9 | Q131 V132 | F127-Q131 HydrophobicContact CB-CB 4.37Å; F127-Q131 HydrophobicContact CD1-CB 4.12Å; F127-V132 HydrophobicContact CB-CG2 3.67Å | ||
| 128 | T | 91.7 | Very high | 76.5 | Confident | 75 Ų | 75 | 123.3 Ų | 123.3 | 46% | 0.46 | 64% | 0.642 | S | S | . | * | trans | -65.3 | 152.1 | 166.7 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | S126 R130 Q131 V132 | S126-T128 PolarHBondContact O-N 2.69Å; T128-R130 PolarHBondContact O-N 2.95Å; T128-R130 VanDerWaalsContact O-N 3.12Å; T128-Q131 WeakPolarHBondContact O-CB 3.39Å; T128-Q131 PolarHBondContact O-N 2.83Å; T128-Q131 VanDerWaalsContact OG1-CD 3.29Å; T128-Q131 VanDerWaalsContact OG1-CG 3.25Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.36Å; T128-Q131 PolarHBondContact OG1-N 3.22Å; T128-Q131 PolarHBondContact OG1-OE1 2.98Å; T128-Q131 VanDerWaalsContact OG1-OE1 3.12Å; T128-V132 PolarHBondContact O-N 2.87Å; T128-V132 VanDerWaalsContact O-N 3.12Å | ||
| 129 | L | 91.2 | Very high | 79.1 | Confident | 145 Ų | 145 | 124.9 Ų | 124.9 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -53.4 | -37.7 | 178.6 | -175.3 | 64.2 | 0 | 0 | 0 | 112 | Q131 V132 S133 | L129-Q131 PolarHBondContact O-N 3.36Å; L129-V132 PolarHBondContact O-N 3.16Å; L129-S133 PolarHBondContact O-N 3.36Å; L129-S133 PolarHBondContact O-OG 3.04Å; L129-S133 VanDerWaalsContact O-OG 3.13Å |
| 130 | R | 91.4 | Very high | 81.3 | Confident | 217 Ų | 217 | 126.6 Ų | 126.6 | 82% | 0.819 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.6 | -39.1 | 176.4 | -169.3 | 174.3 | -178 | -173.5 | 0.6 | 112.9 | T128 Y134 | T128-R130 PolarHBondContact O-N 2.95Å; T128-R130 VanDerWaalsContact O-N 3.12Å; R130-Y134 PolarHBondContact O-N 3.1Å; R130-Y134 VanDerWaalsContact O-N 3.08Å |
| 131 | Q | 93.8 | Very high | 83.6 | Confident | 98 Ų | 98 | 128.1 Ų | 128.1 | 46% | 0.458 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.4 | -38.2 | 175.7 | -73.7 | 164.6 | -29.2 | 0 | 0 | 111.6 | F127 T128 L129 L135 | F127-Q131 HydrophobicContact CB-CB 4.37Å; F127-Q131 HydrophobicContact CD1-CB 4.12Å; T128-Q131 WeakPolarHBondContact O-CB 3.39Å; T128-Q131 PolarHBondContact O-N 2.83Å; T128-Q131 VanDerWaalsContact OG1-CD 3.29Å; T128-Q131 VanDerWaalsContact OG1-CG 3.25Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.36Å; T128-Q131 PolarHBondContact OG1-N 3.22Å; T128-Q131 PolarHBondContact OG1-OE1 2.98Å; T128-Q131 VanDerWaalsContact OG1-OE1 3.12Å; L129-Q131 PolarHBondContact O-N 3.36Å; Q131-L135 WeakPolarHBondContact O-CB 3.44Å; Q131-L135 PolarHBondContact O-N 3.42Å |
| 132 | V | 95.2 | Very high | 85.8 | Confident | 63 Ų | 63 | 120.3 Ų | 120.3 | 38% | 0.382 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.5 | -44.2 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 111 | F127 T128 L129 Y134 L135 C136 | F127-V132 HydrophobicContact CB-CG2 3.67Å; T128-V132 PolarHBondContact O-N 2.87Å; T128-V132 VanDerWaalsContact O-N 3.12Å; L129-V132 PolarHBondContact O-N 3.16Å; V132-Y134 VanDerWaalsContact C-N 3.33Å; V132-Y134 PolarHBondContact O-N 3.38Å; V132-L135 PolarHBondContact O-N 3.05Å; V132-C136 PolarHBondContact O-N 3.03Å; V132-C136 PolarHBondContact O-SG 3.36Å; V132-C136 VanDerWaalsContact O-SG 3.4Å |
| 133 | S | 92.2 | Very high | 88.1 | Confident | 68 Ų | 68 | 116.2 Ų | 116.2 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.5 | -46.1 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 112 | L129 L135 C136 E137 | L129-S133 PolarHBondContact O-N 3.36Å; L129-S133 PolarHBondContact O-OG 3.04Å; L129-S133 VanDerWaalsContact O-OG 3.13Å; S133-L135 VanDerWaalsContact C-N 3.35Å; S133-L135 PolarHBondContact O-N 3.02Å; S133-C136 PolarHBondContact O-N 3.29Å; S133-E137 WeakPolarHBondContact O-CB 3.48Å; S133-E137 PolarHBondContact O-N 3.4Å |
| 134 | Y | 96.6 | Very high | 90.3 | Very high | 137 Ų | 137 | 114 Ų | 114 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -41.9 | 176.4 | 175.6 | -99.4 | 0 | 0 | 0 | 112.4 | R130 V132 E137 R138 | R130-Y134 PolarHBondContact O-N 3.1Å; R130-Y134 VanDerWaalsContact O-N 3.08Å; V132-Y134 VanDerWaalsContact C-N 3.33Å; V132-Y134 PolarHBondContact O-N 3.38Å; Y134-E137 PolarHBondContact O-N 2.86Å; Y134-R138 WeakPolarHBondContact O-CB 3.47Å; Y134-R138 PolarHBondContact O-N 3.33Å |
| 135 | L | 96.7 | Very high | 92.5 | Very high | 87 Ų | 87 | 111 Ų | 111 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -44.7 | 177.8 | -178 | 63.8 | 0 | 0 | 0 | 111.5 | Q131 V132 S133 R138 L139 | Q131-L135 WeakPolarHBondContact O-CB 3.44Å; Q131-L135 PolarHBondContact O-N 3.42Å; V132-L135 PolarHBondContact O-N 3.05Å; S133-L135 VanDerWaalsContact C-N 3.35Å; S133-L135 PolarHBondContact O-N 3.02Å; L135-R138 PolarHBondContact O-N 3.04Å; L135-L139 HydrophobicContact CD1-CD1 4.35Å; L135-L139 HydrophobicContact CD1-CG 4.37Å; L135-L139 HydrophobicContact CG-CD1 4.06Å; L135-L139 HydrophobicContact CG-CG 4.5Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.44Å |
| 136 | C | 96.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 111.9 Ų | 111.9 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | V132 S133 R138 L139 L140 | V132-C136 PolarHBondContact O-N 3.03Å; V132-C136 PolarHBondContact O-SG 3.36Å; V132-C136 VanDerWaalsContact O-SG 3.4Å; S133-C136 PolarHBondContact O-N 3.29Å; C136-R138 VanDerWaalsContact C-N 3.34Å; C136-R138 PolarHBondContact O-N 2.98Å; C136-L139 PolarHBondContact O-N 2.94Å; C136-L140 VanDerWaalsContact O-CG 3.3Å; C136-L140 WeakPolarHBondContact O-CG 3.45Å; C136-L140 PolarHBondContact O-N 3.34Å |
| 137 | E | 96.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | 176.8 | -174.1 | -177.7 | 170.4 | 0 | 0 | 111.3 | S133 Y134 L140 K141 | S133-E137 WeakPolarHBondContact O-CB 3.48Å; S133-E137 PolarHBondContact O-N 3.4Å; Y134-E137 PolarHBondContact O-N 2.86Å; E137-L140 PolarHBondContact O-N 2.96Å; E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 3.39Å |
| 138 | R | 97.9 | Very high | 96.4 | Very high | 131 Ų | 131 | 111.7 Ų | 111.7 | 49% | 0.494 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 177.3 | -176.9 | 171.6 | 179.6 | 150.5 | -0.4 | 112.2 | Y134 L135 C136 L140 K141 D142 | Y134-R138 WeakPolarHBondContact O-CB 3.47Å; Y134-R138 PolarHBondContact O-N 3.33Å; L135-R138 PolarHBondContact O-N 3.04Å; C136-R138 VanDerWaalsContact C-N 3.34Å; C136-R138 PolarHBondContact O-N 2.98Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 3.43Å; R138-K141 PolarHBondContact O-N 2.88Å; R138-K141 VanDerWaalsContact O-N 3.16Å; R138-D142 IonicContact NE-OD2 3.89Å; R138-D142 WeakPolarHBondContact O-CB 3.3Å; R138-D142 PolarHBondContact O-N 2.94Å |
| 139 | L | 98 | Very high | 96.7 | Very high | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 179.2 | -75 | 170.9 | 0 | 0 | 0 | 112.4 | L135 C136 H143 | L135-L139 HydrophobicContact CD1-CD1 4.35Å; L135-L139 HydrophobicContact CD1-CG 4.37Å; L135-L139 HydrophobicContact CG-CD1 4.06Å; L135-L139 HydrophobicContact CG-CG 4.5Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.44Å; C136-L139 PolarHBondContact O-N 2.94Å; L139-H143 WeakPolarHBondContact O-CB 3.38Å; L139-H143 PolarHBondContact O-N 2.75Å; L139-H143 VanDerWaalsContact O-N 3.1Å |
| 140 | L | 98.1 | Very high | 97.1 | Very high | 127 Ų | 127 | 110.9 Ų | 110.9 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 175.7 | -71.2 | 171.1 | 0 | 0 | 0 | 111.2 | C136 E137 R138 H143 E144 | C136-L140 VanDerWaalsContact O-CG 3.3Å; C136-L140 WeakPolarHBondContact O-CG 3.45Å; C136-L140 PolarHBondContact O-N 3.34Å; E137-L140 PolarHBondContact O-N 2.96Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 3.43Å; L140-H143 PolarHBondContact O-N 2.89Å; L140-E144 PolarHBondContact O-N 3.47Å |
| 141 | K | 98.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 107.9 Ų | 107.9 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 178.5 | -167.1 | 178.4 | -179.4 | -178.3 | 0 | 112.2 | E137 R138 H143 E144 E145 | E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 PolarHBondContact O-N 3.39Å; R138-K141 PolarHBondContact O-N 2.88Å; R138-K141 VanDerWaalsContact O-N 3.16Å; K141-H143 VanDerWaalsContact C-N 3.26Å; K141-H143 PolarHBondContact O-N 3.31Å; K141-E144 PolarHBondContact O-N 3.5Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 PolarHBondContact O-N 2.88Å |
| 142 | D | 98.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 108.6 Ų | 108.6 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 177.5 | -67.9 | -2.7 | 0 | 0 | 0 | 110.7 | R138 K146 | R138-D142 IonicContact NE-OD2 3.89Å; R138-D142 WeakPolarHBondContact O-CB 3.3Å; R138-D142 PolarHBondContact O-N 2.94Å; D142-K146 VanDerWaalsContact O-CB 3.31Å; D142-K146 WeakPolarHBondContact O-CB 3.48Å; D142-K146 PolarHBondContact O-N 3.42Å |
| 143 | H | 98.4 | Very high | 97.8 | Very high | 119 Ų | 119 | 111.3 Ų | 111.3 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.5 | -40.8 | 176.7 | -175 | -97.8 | 0 | 0 | 0 | 112.8 | L139 L140 K141 K146 I147 | L139-H143 WeakPolarHBondContact O-CB 3.38Å; L139-H143 PolarHBondContact O-N 2.75Å; L139-H143 VanDerWaalsContact O-N 3.1Å; L140-H143 PolarHBondContact O-N 2.89Å; K141-H143 VanDerWaalsContact C-N 3.26Å; K141-H143 PolarHBondContact O-N 3.31Å; H143-K146 PolarHBondContact O-N 2.83Å; H143-I147 WeakPolarHBondContact CE1-CD1 3.18Å; H143-I147 WeakPolarHBondContact O-CG1 3.41Å; H143-I147 PolarHBondContact O-N 3.21Å |
| 144 | E | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 112.8 Ų | 112.8 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.2 | -174.1 | -169.7 | 124.5 | 0 | 0 | 111.4 | L140 K141 I147 R148 | L140-E144 PolarHBondContact O-N 3.47Å; K141-E144 PolarHBondContact O-N 3.5Å; E144-I147 PolarHBondContact O-N 2.75Å; E144-R148 PolarHBondContact O-N 3.01Å; E144-R148 IonicContact OE1-CZ 3.13Å; E144-R148 IonicContact OE1-NH1 3.32Å; E144-R148 IonicContact OE1-NH2 2.64Å; E144-R148 PolarHBondContact OE1-NH2 3.38Å |
| 145 | E | 98.5 | Very high | 98.2 | Very high | 94 Ų | 94 | 109.9 Ų | 109.9 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 176 | -177.7 | 165.2 | -137.7 | 0 | 0 | 110.7 | K141 I147 R148 E149 | K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 PolarHBondContact O-N 2.88Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.38Å; E145-R148 WeakPolarHBondContact O-CA 3.47Å; E145-R148 WeakPolarHBondContact O-CB 3.31Å; E145-R148 PolarHBondContact O-N 2.96Å; E145-E149 HydrophobicContact CG-CG 4.44Å; E145-E149 WeakPolarHBondContact O-CG 3.42Å; E145-E149 PolarHBondContact O-N 2.87Å |
| 146 | K | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 109.8 Ų | 109.8 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 176.5 | -172.7 | 174.1 | -175.1 | 175.3 | 0 | 112.8 | D142 H143 R148 E149 E150 | D142-K146 VanDerWaalsContact O-CB 3.31Å; D142-K146 WeakPolarHBondContact O-CB 3.48Å; D142-K146 PolarHBondContact O-N 3.42Å; H143-K146 PolarHBondContact O-N 2.83Å; K146-R148 VanDerWaalsContact C-N 3.29Å; K146-R148 PolarHBondContact O-N 3.2Å; K146-E149 PolarHBondContact O-N 3.14Å; K146-E150 HydrophobicContact CG-CG 4.42Å; K146-E150 WeakPolarHBondContact O-CB 3.49Å; K146-E150 WeakPolarHBondContact O-CG 3.41Å; K146-E150 PolarHBondContact O-N 3.36Å |
| 147 | I | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 109.9 Ų | 109.9 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.6 | -70.6 | 164.5 | 0 | 0 | 0 | 110.8 | H143 E144 E145 Y151 | H143-I147 WeakPolarHBondContact CE1-CD1 3.18Å; H143-I147 WeakPolarHBondContact O-CG1 3.41Å; H143-I147 PolarHBondContact O-N 3.21Å; E144-I147 PolarHBondContact O-N 2.75Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.38Å; I147-Y151 WeakPolarHBondContact O-CB 3.37Å; I147-Y151 PolarHBondContact O-N 2.98Å |
| 148 | R | 98.8 | Very high | 98.5 | Very high | 141 Ų | 141 | 108.5 Ų | 108.5 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 179.1 | -171.8 | -179.1 | -69.7 | 126 | 2.9 | 111.3 | E144 E145 K146 Y151 E152 | E144-R148 PolarHBondContact O-N 3.01Å; E144-R148 IonicContact OE1-CZ 3.13Å; E144-R148 IonicContact OE1-NH1 3.32Å; E144-R148 IonicContact OE1-NH2 2.64Å; E144-R148 PolarHBondContact OE1-NH2 3.38Å; E145-R148 WeakPolarHBondContact O-CA 3.47Å; E145-R148 WeakPolarHBondContact O-CB 3.31Å; E145-R148 PolarHBondContact O-N 2.96Å; K146-R148 VanDerWaalsContact C-N 3.29Å; K146-R148 PolarHBondContact O-N 3.2Å; R148-Y151 PolarHBondContact O-N 3.45Å; R148-E152 WeakPolarHBondContact O-CB 3.37Å; R148-E152 PolarHBondContact O-N 2.91Å |
| 149 | E | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.5 | -71.6 | 177.2 | 169.3 | 0 | 0 | 111.9 | E145 K146 Y151 E152 Q153 | E145-E149 HydrophobicContact CG-CG 4.44Å; E145-E149 WeakPolarHBondContact O-CG 3.42Å; E145-E149 PolarHBondContact O-N 2.87Å; K146-E149 PolarHBondContact O-N 3.14Å; E149-Y151 VanDerWaalsContact C-N 3.3Å; E149-Y151 PolarHBondContact O-N 3.34Å; E149-E152 PolarHBondContact O-N 2.92Å; E149-Q153 WeakPolarHBondContact O-CB 3.36Å; E149-Q153 PolarHBondContact O-N 2.91Å |
| 150 | E | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 104.1 Ų | 104.1 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.8 | -69.1 | -77.6 | 163.9 | 0 | 0 | 111.1 | K146 Q153 I154 | K146-E150 HydrophobicContact CG-CG 4.42Å; K146-E150 WeakPolarHBondContact O-CB 3.49Å; K146-E150 WeakPolarHBondContact O-CG 3.41Å; K146-E150 PolarHBondContact O-N 3.36Å; E150-Q153 PolarHBondContact O-N 3.31Å; E150-I154 WeakPolarHBondContact O-CB 3.34Å; E150-I154 WeakPolarHBondContact O-CD1 3.35Å; E150-I154 VanDerWaalsContact O-CG1 3.23Å; E150-I154 WeakPolarHBondContact O-CG1 3.4Å; E150-I154 PolarHBondContact O-N 3.32Å |
| 151 | Y | 98.8 | Very high | 98.6 | Very high | 155 Ų | 155 | 102.4 Ų | 102.4 | 61% | 0.608 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -48.2 | 175.5 | 174.7 | -95.8 | 0 | 0 | 0 | 111.8 | I147 R148 E149 Q153 I154 L155 | I147-Y151 WeakPolarHBondContact O-CB 3.37Å; I147-Y151 PolarHBondContact O-N 2.98Å; R148-Y151 PolarHBondContact O-N 3.45Å; E149-Y151 VanDerWaalsContact C-N 3.3Å; E149-Y151 PolarHBondContact O-N 3.34Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.33Å; Y151-I154 PolarHBondContact O-N 2.91Å; Y151-L155 HydrophobicContact CE1-CD2 4.15Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 3.32Å |
| 152 | E | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 179.2 | -176.8 | 171.2 | -173.3 | 0 | 0 | 111.7 | R148 E149 L155 N156 | R148-E152 WeakPolarHBondContact O-CB 3.37Å; R148-E152 PolarHBondContact O-N 2.91Å; E149-E152 PolarHBondContact O-N 2.92Å; E152-L155 PolarHBondContact O-N 3.44Å; E152-N156 WeakPolarHBondContact O-CB 3.41Å; E152-N156 PolarHBondContact O-N 2.86Å; E152-N156 PolarHBondContact O-ND2 2.87Å |
| 153 | Q | 98.8 | Very high | 98.6 | Very high | 121 Ų | 121 | 105.8 Ų | 105.8 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 176.1 | -173.5 | 175.9 | 15.5 | 0 | 0 | 111.5 | E149 E150 Y151 N156 T157 | E149-Q153 WeakPolarHBondContact O-CB 3.36Å; E149-Q153 PolarHBondContact O-N 2.91Å; E150-Q153 PolarHBondContact O-N 3.31Å; Y151-Q153 VanDerWaalsContact C-N 3.32Å; Y151-Q153 PolarHBondContact O-N 3.33Å; Q153-N156 PolarHBondContact O-N 3.14Å; Q153-T157 WeakPolarHBondContact O-CB 3.49Å; Q153-T157 PolarHBondContact O-N 3.17Å; Q153-T157 PolarHBondContact O-OG1 3.13Å |
| 154 | I | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 177 | -68.6 | 165.4 | 0 | 0 | 0 | 110 | E150 Y151 T157 K158 | E150-I154 WeakPolarHBondContact O-CB 3.34Å; E150-I154 WeakPolarHBondContact O-CD1 3.35Å; E150-I154 VanDerWaalsContact O-CG1 3.23Å; E150-I154 WeakPolarHBondContact O-CG1 3.4Å; E150-I154 PolarHBondContact O-N 3.32Å; Y151-I154 PolarHBondContact O-N 2.91Å; I154-T157 PolarHBondContact O-N 3.42Å; I154-K158 HydrophobicContact CG2-CG 4.29Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 VanDerWaalsContact O-CG 3.23Å; I154-K158 WeakPolarHBondContact O-CG 3.23Å; I154-K158 PolarHBondContact O-N 3.39Å |
| 155 | L | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 104.5 Ų | 104.5 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 179.5 | 178 | 61.8 | 0 | 0 | 0 | 111.4 | Y151 E152 T157 K158 L159 | Y151-L155 HydrophobicContact CE1-CD2 4.15Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 3.32Å; E152-L155 PolarHBondContact O-N 3.44Å; L155-T157 VanDerWaalsContact C-N 3.33Å; L155-T157 PolarHBondContact O-N 2.89Å; L155-K158 PolarHBondContact O-N 3.01Å; L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CG 4.41Å; L155-L159 HydrophobicContact CG-CD1 4.19Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.44Å |
| 156 | N | 98.7 | Very high | 98.5 | Very high | 86 Ų | 86 | 106.7 Ų | 106.7 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 178.2 | -84.7 | -41.7 | 0 | 0 | 0 | 111.9 | E152 Q153 K158 L159 A160 | E152-N156 WeakPolarHBondContact O-CB 3.41Å; E152-N156 PolarHBondContact O-N 2.86Å; E152-N156 PolarHBondContact O-ND2 2.87Å; Q153-N156 PolarHBondContact O-N 3.14Å; N156-K158 VanDerWaalsContact C-N 3.33Å; N156-K158 PolarHBondContact O-N 3.43Å; N156-L159 PolarHBondContact O-N 3.45Å; N156-A160 WeakPolarHBondContact O-CB 3.48Å; N156-A160 PolarHBondContact O-N 3.34Å |
| 157 | T | 98.6 | Very high | 98.5 | Very high | 68 Ų | 68 | 103.3 Ų | 103.3 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.2 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | Q153 I154 L155 A160 E161 | Q153-T157 WeakPolarHBondContact O-CB 3.49Å; Q153-T157 PolarHBondContact O-N 3.17Å; Q153-T157 PolarHBondContact O-OG1 3.13Å; I154-T157 PolarHBondContact O-N 3.42Å; L155-T157 VanDerWaalsContact C-N 3.33Å; L155-T157 PolarHBondContact O-N 2.89Å; T157-A160 PolarHBondContact O-N 3.34Å; T157-E161 WeakPolarHBondContact O-CG 3.48Å; T157-E161 PolarHBondContact O-N 2.93Å |
| 158 | K | 98.7 | Very high | 98.4 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 179 | -68.9 | -72.4 | 154.9 | -143.5 | 0 | 112.4 | I154 L155 N156 E161 Q162 | I154-K158 HydrophobicContact CG2-CG 4.29Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 VanDerWaalsContact O-CG 3.23Å; I154-K158 WeakPolarHBondContact O-CG 3.23Å; I154-K158 PolarHBondContact O-N 3.39Å; L155-K158 PolarHBondContact O-N 3.01Å; N156-K158 VanDerWaalsContact C-N 3.33Å; N156-K158 PolarHBondContact O-N 3.43Å; K158-E161 IonicContact NZ-OE1 3.68Å; K158-E161 PolarHBondContact NZ-OE1 2.99Å; K158-E161 IonicContact NZ-OE2 3.43Å; K158-E161 PolarHBondContact NZ-OE2 3.43Å; K158-E161 PolarHBondContact O-N 3.5Å; K158-Q162 WeakPolarHBondContact O-CG 3.49Å; K158-Q162 PolarHBondContact O-N 3.48Å; K158-Q162 VanDerWaalsContact O-N 3.08Å |
| 159 | L | 98.7 | Very high | 98.4 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.1 | -73.9 | 172.5 | 0 | 0 | 0 | 111.7 | L155 N156 Q162 Y163 | L155-L159 HydrophobicContact CD1-CD1 4.31Å; L155-L159 HydrophobicContact CD1-CG 4.41Å; L155-L159 HydrophobicContact CG-CD1 4.19Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 3.44Å; N156-L159 PolarHBondContact O-N 3.45Å; L159-Q162 PolarHBondContact O-N 3.11Å; L159-Y163 PolarHBondContact O-N 2.98Å |
| 160 | A | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N156 T157 Q162 Y163 E164 | N156-A160 WeakPolarHBondContact O-CB 3.48Å; N156-A160 PolarHBondContact O-N 3.34Å; T157-A160 PolarHBondContact O-N 3.34Å; A160-Q162 VanDerWaalsContact C-N 3.28Å; A160-Q162 PolarHBondContact O-N 2.98Å; A160-Y163 WeakPolarHBondContact O-CB 3.36Å; A160-Y163 PolarHBondContact O-N 2.72Å; A160-Y163 VanDerWaalsContact O-N 3.14Å; A160-E164 WeakPolarHBondContact O-CB 3.42Å; A160-E164 WeakPolarHBondContact O-CG 3.34Å; A160-E164 PolarHBondContact O-N 3.08Å |
| 161 | E | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 175.7 | -75.4 | 173.4 | 178.7 | 0 | 0 | 112.2 | T157 K158 S165 | T157-E161 WeakPolarHBondContact O-CG 3.48Å; T157-E161 PolarHBondContact O-N 2.93Å; K158-E161 IonicContact NZ-OE1 3.68Å; K158-E161 PolarHBondContact NZ-OE1 2.99Å; K158-E161 IonicContact NZ-OE2 3.43Å; K158-E161 PolarHBondContact NZ-OE2 3.43Å; K158-E161 PolarHBondContact O-N 3.5Å; E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.23Å; E161-S165 PolarHBondContact O-N 3.41Å; E161-S165 PolarHBondContact O-OG 2.72Å |
| 162 | Q | 98.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 97.4 Ų | 97.4 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 175.8 | -75.6 | -177.3 | -4.3 | 0 | 0 | 111.8 | K158 L159 A160 S165 F166 | K158-Q162 WeakPolarHBondContact O-CG 3.49Å; K158-Q162 PolarHBondContact O-N 3.48Å; K158-Q162 VanDerWaalsContact O-N 3.08Å; L159-Q162 PolarHBondContact O-N 3.11Å; A160-Q162 VanDerWaalsContact C-N 3.28Å; A160-Q162 PolarHBondContact O-N 2.98Å; Q162-S165 PolarHBondContact O-N 3.25Å; Q162-F166 PolarHBondContact O-N 3Å |
| 163 | Y | 98.5 | Very high | 97.5 | Very high | 149 Ų | 149 | 95.7 Ų | 95.7 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.2 | -51.4 | 178 | 176.1 | -98.4 | 0 | 0 | 0 | 111.5 | L159 A160 S165 F166 V167 | L159-Y163 PolarHBondContact O-N 2.98Å; A160-Y163 WeakPolarHBondContact O-CB 3.36Å; A160-Y163 PolarHBondContact O-N 2.72Å; A160-Y163 VanDerWaalsContact O-N 3.14Å; Y163-S165 VanDerWaalsContact C-N 3.28Å; Y163-S165 PolarHBondContact O-N 3.28Å; Y163-F166 WeakPolarHBondContact O-CB 3.49Å; Y163-F166 PolarHBondContact O-N 3.23Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; Y163-V167 HydrophobicContact CD1-CG2 4.24Å; Y163-V167 HydrophobicContact CD2-CG2 4.4Å; Y163-V167 HydrophobicContact CE1-CG2 3.78Å; Y163-V167 HydrophobicContact CE2-CG2 3.96Å; Y163-V167 WeakPolarHBondContact O-CG2 3.29Å; Y163-V167 PolarHBondContact O-N 3.31Å |
| 164 | E | 98.3 | Very high | 97.2 | Very high | 120 Ų | 120 | 94.7 Ų | 94.7 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.5 | -42.6 | 177.2 | -72.3 | -63.2 | 136.4 | 0 | 0 | 111.4 | A160 F166 V167 K168 | A160-E164 WeakPolarHBondContact O-CB 3.42Å; A160-E164 WeakPolarHBondContact O-CG 3.34Å; A160-E164 PolarHBondContact O-N 3.08Å; E164-F166 VanDerWaalsContact C-N 3.35Å; E164-F166 PolarHBondContact O-N 3.03Å; E164-V167 PolarHBondContact O-N 3.25Å; E164-K168 WeakPolarHBondContact O-CB 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å |
| 165 | S | 97.7 | Very high | 96.7 | Very high | 79 Ų | 79 | 95.2 Ų | 95.2 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 177 | -62 | 0 | 0 | 0 | 0 | 112.3 | E161 Q162 Y163 F169 | E161-S165 VanDerWaalsContact O-CB 3.29Å; E161-S165 WeakPolarHBondContact O-CB 3.23Å; E161-S165 PolarHBondContact O-N 3.41Å; E161-S165 PolarHBondContact O-OG 2.72Å; Q162-S165 PolarHBondContact O-N 3.25Å; Y163-S165 VanDerWaalsContact C-N 3.28Å; Y163-S165 PolarHBondContact O-N 3.28Å; S165-F169 VanDerWaalsContact O-CB 3.31Å; S165-F169 WeakPolarHBondContact O-CB 3.5Å; S165-F169 PolarHBondContact O-N 2.84Å |
| 166 | F | 97.9 | Very high | 96.3 | Very high | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.614 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -45.8 | 177.8 | 174 | -98.4 | 0 | 0 | 0 | 112.2 | Q162 Y163 E164 F169 T170 | Q162-F166 PolarHBondContact O-N 3Å; Y163-F166 WeakPolarHBondContact O-CB 3.49Å; Y163-F166 PolarHBondContact O-N 3.23Å; Y163-F166 VanDerWaalsContact O-N 3.11Å; E164-F166 VanDerWaalsContact C-N 3.35Å; E164-F166 PolarHBondContact O-N 3.03Å; F166-F169 PolarHBondContact O-N 3.39Å; F166-T170 PolarHBondContact O-N 2.84Å; F166-T170 PolarHBondContact O-OG1 3.45Å |
| 167 | V | 97.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 104.9 Ų | 104.9 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110 | Y163 E164 F169 T170 Q171 | Y163-V167 HydrophobicContact CD1-CG2 4.24Å; Y163-V167 HydrophobicContact CD2-CG2 4.4Å; Y163-V167 HydrophobicContact CE1-CG2 3.78Å; Y163-V167 HydrophobicContact CE2-CG2 3.96Å; Y163-V167 WeakPolarHBondContact O-CG2 3.29Å; Y163-V167 PolarHBondContact O-N 3.31Å; E164-V167 PolarHBondContact O-N 3.25Å; V167-F169 PolarHBondContact O-N 3.4Å; V167-T170 WeakPolarHBondContact O-CB 3.42Å; V167-T170 PolarHBondContact O-N 2.94Å; V167-T170 VanDerWaalsContact O-N 3.14Å; V167-Q171 WeakPolarHBondContact O-CB 3.2Å; V167-Q171 PolarHBondContact O-N 2.93Å |
| 168 | K | 97.1 | Very high | 94.9 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 177.9 | -174.5 | 178.3 | -179.3 | 178.2 | 0 | 111.9 | E164 T170 Q171 D172 | E164-K168 WeakPolarHBondContact O-CB 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å; K168-T170 VanDerWaalsContact C-N 3.3Å; K168-T170 PolarHBondContact O-N 3.46Å; K168-Q171 PolarHBondContact O-N 2.97Å; K168-D172 WeakPolarHBondContact O-CB 3.37Å; K168-D172 PolarHBondContact O-N 3.26Å |
| 169 | F | 97.3 | Very high | 93.4 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.6 | 175.7 | -99.6 | 0 | 0 | 0 | 111.3 | S165 F166 V167 D172 Q173 | S165-F169 VanDerWaalsContact O-CB 3.31Å; S165-F169 WeakPolarHBondContact O-CB 3.5Å; S165-F169 PolarHBondContact O-N 2.84Å; F166-F169 PolarHBondContact O-N 3.39Å; V167-F169 PolarHBondContact O-N 3.4Å; F169-D172 PolarHBondContact O-N 2.82Å; F169-Q173 HydrophobicContact CD1-CG 4.21Å; F169-Q173 HydrophobicContact CD2-CG 4.44Å; F169-Q173 HydrophobicContact CE1-CG 3.82Å; F169-Q173 HydrophobicContact CE2-CG 4.08Å; F169-Q173 HydrophobicContact CZ-CG 3.75Å; F169-Q173 WeakPolarHBondContact O-CB 3.31Å; F169-Q173 WeakPolarHBondContact O-CG 3.15Å; F169-Q173 PolarHBondContact O-N 3.1Å |
| 170 | T | 95.4 | Very high | 91.7 | Very high | 56 Ų | 56 | 106.8 Ų | 106.8 | 34% | 0.344 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 178.8 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | F166 V167 K168 Q173 I174 | F166-T170 PolarHBondContact O-N 2.84Å; F166-T170 PolarHBondContact O-OG1 3.45Å; V167-T170 WeakPolarHBondContact O-CB 3.42Å; V167-T170 PolarHBondContact O-N 2.94Å; V167-T170 VanDerWaalsContact O-N 3.14Å; K168-T170 VanDerWaalsContact C-N 3.3Å; K168-T170 PolarHBondContact O-N 3.46Å; T170-Q173 PolarHBondContact O-N 3.18Å; T170-I174 HydrophobicContact CG2-CD1 4.22Å; T170-I174 WeakPolarHBondContact O-CG1 3.5Å; T170-I174 PolarHBondContact O-N 3.48Å |
| 171 | Q | 94.8 | Very high | 89.8 | Confident | 124 Ų | 124 | 112.8 Ų | 112.8 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 176.7 | -174.4 | 177.8 | 5.1 | 0 | 0 | 111.7 | V167 K168 Q173 I174 M175 | V167-Q171 WeakPolarHBondContact O-CB 3.2Å; V167-Q171 PolarHBondContact O-N 2.93Å; K168-Q171 PolarHBondContact O-N 2.97Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.5Å; Q171-I174 PolarHBondContact O-N 3.41Å; Q171-M175 WeakPolarHBondContact O-CB 3.35Å; Q171-M175 PolarHBondContact O-N 3.04Å |
| 172 | D | 94.5 | Very high | 87.8 | Confident | 46 Ų | 46 | 113.7 Ų | 113.7 | 25% | 0.246 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -62.8 | -37.3 | 177.1 | -77.5 | -10.5 | 0 | 0 | 0 | 111.7 | K168 F169 M175 R176 | K168-D172 WeakPolarHBondContact O-CB 3.37Å; K168-D172 PolarHBondContact O-N 3.26Å; F169-D172 PolarHBondContact O-N 2.82Å; D172-M175 PolarHBondContact O-N 3.19Å; D172-R176 VanDerWaalsContact O-CB 3.32Å; D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 WeakPolarHBondContact O-CG 3.18Å; D172-R176 PolarHBondContact O-N 3.07Å |
| 173 | Q | 92.5 | Very high | 85.9 | Confident | 77 Ų | 77 | 111.9 Ų | 111.9 | 36% | 0.36 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -41.6 | 175.6 | -70.9 | -69 | 79.8 | 0 | 0 | 111.8 | F169 T170 Q171 R177 | F169-Q173 HydrophobicContact CD1-CG 4.21Å; F169-Q173 HydrophobicContact CD2-CG 4.44Å; F169-Q173 HydrophobicContact CE1-CG 3.82Å; F169-Q173 HydrophobicContact CE2-CG 4.08Å; F169-Q173 HydrophobicContact CZ-CG 3.75Å; F169-Q173 WeakPolarHBondContact O-CB 3.31Å; F169-Q173 WeakPolarHBondContact O-CG 3.15Å; F169-Q173 PolarHBondContact O-N 3.1Å; T170-Q173 PolarHBondContact O-N 3.18Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.5Å; Q173-R177 VanDerWaalsContact O-CB 3.32Å; Q173-R177 WeakPolarHBondContact O-CB 3.42Å; Q173-R177 WeakPolarHBondContact O-CG 3.32Å; Q173-R177 PolarHBondContact O-N 3.48Å |
| 174 | I | 90.8 | Very high | 83.9 | Confident | 99 Ų | 99 | 109.3 Ų | 109.3 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -47.4 | 175.1 | -65.7 | 166.1 | 0 | 0 | 0 | 109.9 | T170 Q171 R176 R177 Y178 | T170-I174 HydrophobicContact CG2-CD1 4.22Å; T170-I174 WeakPolarHBondContact O-CG1 3.5Å; T170-I174 PolarHBondContact O-N 3.48Å; Q171-I174 PolarHBondContact O-N 3.41Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-R177 PolarHBondContact O-N 3.37Å; I174-Y178 HydrophobicContact CG2-CD2 4.27Å; I174-Y178 WeakPolarHBondContact O-CB 3.32Å; I174-Y178 PolarHBondContact O-N 3.31Å |
| 175 | M | 89.4 | Confident | 82.2 | Confident | 110 Ų | 110 | 113.9 Ų | 113.9 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -40.6 | -179.8 | -174 | 178.3 | 58 | 0 | 0 | 112.2 | Q171 D172 R177 G179 | Q171-M175 WeakPolarHBondContact O-CB 3.35Å; Q171-M175 PolarHBondContact O-N 3.04Å; D172-M175 PolarHBondContact O-N 3.19Å; M175-R177 PolarHBondContact O-N 2.75Å; M175-G179 WeakPolarHBondContact O-CA 3.16Å; M175-G179 PolarHBondContact O-N 2.76Å |
| 176 | R | 90.3 | Very high | 80.4 | Confident | 168 Ų | 168 | 116 Ų | 116 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -37.2 | 173.4 | -81.6 | -170.7 | -85.7 | -119.4 | -4.9 | 112.8 | D172 I174 | D172-R176 VanDerWaalsContact O-CB 3.32Å; D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 WeakPolarHBondContact O-CG 3.18Å; D172-R176 PolarHBondContact O-N 3.07Å; I174-R176 PolarHBondContact O-N 2.84Å |
| 177 | R | 85.7 | Confident | 77.8 | Confident | 197 Ų | 197 | 118.3 Ų | 118.3 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.6 | -35.5 | -179.4 | -73 | -82.8 | -167.8 | -169.4 | 1.8 | 113.2 | Q173 I174 M175 | Q173-R177 VanDerWaalsContact O-CB 3.32Å; Q173-R177 WeakPolarHBondContact O-CB 3.42Å; Q173-R177 WeakPolarHBondContact O-CG 3.32Å; Q173-R177 PolarHBondContact O-N 3.48Å; I174-R177 PolarHBondContact O-N 3.37Å; M175-R177 PolarHBondContact O-N 2.75Å |
| 178 | Y | 81.5 | Confident | 76.8 | Confident | 150 Ų | 150 | 121.6 Ų | 121.6 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -131.6 | -14 | -166.9 | -58.3 | -75.1 | 0 | 0 | 0 | 114.8 | I174 A180 R181 | I174-Y178 HydrophobicContact CG2-CD2 4.27Å; I174-Y178 WeakPolarHBondContact O-CB 3.32Å; I174-Y178 PolarHBondContact O-N 3.31Å; Y178-A180 PolarHBondContact O-N 3.44Å; Y178-R181 PolarHBondContact O-N 2.79Å |
| 179 | G | 68.4 | Low | 75.7 | Confident | 57 Ų | 57 | 121.1 Ų | 121.1 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -19 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | M175 | M175-G179 WeakPolarHBondContact O-CA 3.16Å; M175-G179 PolarHBondContact O-N 2.76Å |
| 180 | A | 61.6 | Low | 74.5 | Confident | 95 Ų | 95 | 121.4 Ų | 121.4 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -2.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y178 P182 | Y178-A180 PolarHBondContact O-N 3.44Å; A180-P182 WeakPolarHBondContact O-CD 3.36Å |
| 181 | R | 58.3 | Low | 73.3 | Confident | 179 Ų | 179 | 125.2 Ų | 125.2 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -85.3 | 113.5 | 178.5 | -158 | 169.8 | 176.7 | 179.7 | -3.4 | 106.6 | Y178 A183 | Y178-R181 PolarHBondContact O-N 2.79Å; R181-A183 PolarHBondContact O-N 3.24Å |
| 182 | P | 57.5 | Low | 72 | Confident | 110 Ų | 110 | 125.3 Ų | 125.3 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | trans | -53.3 | 134 | 171 | 22.6 | -30.9 | 0 | 0 | 0 | 106.8 | A180 S184 | A180-P182 WeakPolarHBondContact O-CD 3.36Å; P182-S184 VanDerWaalsContact C-N 3.3Å; P182-S184 PolarHBondContact O-N 3.34Å | ||
| 183 | A | 57.9 | Low | 70.5 | Confident | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -55.4 | 101.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | R181 Y185 | R181-A183 PolarHBondContact O-N 3.24Å; A183-Y185 PolarHBondContact O-N 3.4Å | ||
| 184 | S | 57.9 | Low | 68.9 | Low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -75.1 | 77 | 174.6 | 67.7 | 0 | 0 | 0 | 0 | 106.4 | P182 V186 | P182-S184 VanDerWaalsContact C-N 3.3Å; P182-S184 PolarHBondContact O-N 3.34Å; S184-V186 PolarHBondContact O-N 3.05Å | ||
| 185 | Y | 62 | Low | 67.2 | Low | 215 Ų | 215 | 137.2 Ų | 137.2 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -68.4 | 117.5 | 157.6 | -121.6 | -97.2 | 0 | 0 | 0 | 105.2 | A183 | A183-Y185 PolarHBondContact O-N 3.4Š| ||
| 186 | V | 59.2 | Low | 65.3 | Low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 83.8 | 97.5 | 175.3 | -163.8 | 0 | 0 | 0 | 0 | 115.9 | S184 | S184-V186 PolarHBondContact O-N 3.05Š| ||
| 187 | S | 43.8 | Very low | 63.1 | Low | 188 Ų | 188 | 136.8 Ų | 136.8 | 100% | 1.315 | 77% | 0.768 | S | S | * | * | -177.3 | 0 | 111.3 | -69.1 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 187 of 187 residues in 123.4 ms
(Link to these results)