| 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 | 36.9 | Very low | 32.9 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 100% | 1.222 | 83% | 0.832 | S | S | * | * | 0 | 115.3 | 0 | -163.9 | 166.4 | 159.3 | 0 | 0 | 107 | |||||
| 2 | V | 32.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -105.4 | 142.3 | -168.3 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | I4 | V2-I4 HydrophobicContact CG1-CD1 4.31Å; V2-I4 HydrophobicContact CG1-CG1 4.07Å | ||
| 3 | K | 23.1 | Very low | 32.9 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -145.3 | 145.5 | 161.6 | -106.2 | 179.5 | 177 | 175 | 0 | 111.3 | ||||
| 4 | I | 35 | Very low | 32.8 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 72% | 0.718 | 82% | 0.822 | S | S | * | * | trans | -125.7 | 148.5 | -154 | -74.1 | 166.6 | 0 | 0 | 0 | 112.1 | V2 | V2-I4 HydrophobicContact CG1-CD1 4.31Å; V2-I4 HydrophobicContact CG1-CG1 4.07Å | ||
| 5 | S | 31.9 | Very low | 32.6 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 57% | 0.566 | 82% | 0.817 | S | S | * | * | trans | 71 | 152 | 154 | 86.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 6 | F | 31.5 | Very low | 32.5 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | -144.6 | 155.5 | 54.7 | -69.8 | -91.6 | 0 | 0 | 0 | 115.9 | |||||
| 7 | Q | 35.8 | Very low | 32.2 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 159.2 | 162.4 | -81.6 | -175.3 | -5.1 | 0 | 0 | 111.1 | ||||
| 8 | P | 35.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 157.2 | 141.6 | 34.6 | -22.9 | 0 | 0 | 0 | 113 | ||||
| 9 | A | 33.2 | Very low | 31.9 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -95 | 141.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 10 | V | 36.1 | Very low | 31.8 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 57.1 | 118.7 | 134.5 | -172.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 11 | A | 30.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | -166.8 | 123.7 | 125.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 12 | G | 33.3 | Very low | 31.1 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | cis | 107.1 | 106.4 | 29.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 13 | I | 32.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 171.7 | 101.8 | 151.6 | -82.7 | 148.8 | 0 | 0 | 0 | 106.2 | ||||
| 14 | K | 32 | Very low | 31 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | 53.5 | 134.6 | 93.7 | -110.8 | -179.5 | 178.4 | -179.9 | 0 | 113.7 | |||||
| 15 | A | 30.1 | Very low | 30.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -161.6 | 162.4 | 36.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 16 | D | 29.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -57.4 | 163 | 176.1 | -56.3 | -78.3 | 0 | 0 | 0 | 116.7 | ||||
| 17 | K | 27.6 | Very low | 30.4 | Very low | 203 Ų | 203 | 126.5 Ų | 126.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | -170.9 | 126 | 109.7 | -163.6 | 157.2 | -177 | 175.7 | 0 | 112.8 | |||||
| 18 | A | 31.1 | Very low | 30 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 57% | 0.57 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 156.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 19 | D | 27.6 | Very low | 29.6 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | 173.2 | 151.7 | 102.4 | -94.3 | -37.9 | 0 | 0 | 0 | 115.1 | |||||
| 20 | K | 29.7 | Very low | 29.2 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -60.3 | 157.8 | 175.9 | -72.9 | 168.1 | 168 | 172.9 | 0 | 114.1 | ||||
| 21 | A | 26 | Very low | 28.8 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 129.3 | 130.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 22 | A | 27.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -122.9 | 140.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 23 | A | 27.4 | Very low | 29.3 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | 162.6 | 116.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 24 | S | 26.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 77.8 | 104.3 | 62 | 74.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 25 | G | 26.4 | Very low | 29 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 60.1 | 171.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 26 | P | 35.1 | Very low | 29.2 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | cis | -135.6 | -167.9 | 12.1 | 39.2 | -18.2 | 0 | 0 | 0 | 115.3 | ||||
| 27 | A | 24.6 | Very low | 29 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -83.1 | 165.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 28 | S | 27.6 | Very low | 29.2 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 169 | 109.1 | 135.1 | 41.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | A | 26.6 | Very low | 29.4 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 65 | 103.5 | 81.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 30 | S | 26.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | -177.1 | 118.1 | 131.3 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 31 | A | 27.5 | Very low | 30 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -101.3 | 166.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 32 | P | 46.3 | Very low | 30.3 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -138.3 | 174.3 | 63.5 | 26.7 | -1.6 | 0 | 0 | 0 | 111.2 | |||||
| 33 | A | 26.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | -164.4 | 153.2 | 54.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 34 | A | 28.8 | Very low | 31 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -76 | 145.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 35 | E | 29.4 | Very low | 31.4 | Very low | 203 Ų | 203 | 133 Ų | 133 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -140.8 | 133.2 | 139.5 | -112.7 | -179.1 | 176.6 | 0 | 0 | 109.6 | ||||
| 36 | I | 34.2 | Very low | 32 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -107.5 | 132.5 | -165.4 | -67.5 | 163.1 | 0 | 0 | 0 | 107.2 | L38 | I36-L38 HydrophobicContact CG2-CD1 3.53Š| ||
| 37 | L | 26.6 | Very low | 32.6 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -149.9 | 122.8 | 152.2 | -137.3 | 145.1 | 0 | 0 | 0 | 111.5 | ||||
| 38 | L | 31.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 141 Ų | 141 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | -82 | 133.8 | -172.5 | -87.9 | 80.2 | 0 | 0 | 0 | 113.6 | I36 | I36-L38 HydrophobicContact CG2-CD1 3.53Š| ||
| 39 | T | 35.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | 33.9 | 150.9 | 127.5 | 12.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 40 | P | 38.7 | Very low | 35.2 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | -140.4 | 171.2 | 91.8 | 34.4 | -15.9 | 0 | 0 | 0 | 116.3 | |||||
| 41 | A | 32.3 | Very low | 36.6 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -81 | 178.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 42 | R | 31.6 | Very low | 37.5 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 100.7 | 127.4 | 152.2 | -135.5 | -177.8 | 170.2 | 111.7 | 1.8 | 113.6 | ||||
| 43 | E | 30.8 | Very low | 38 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 56% | 0.561 | 80% | 0.8 | S | S | * | * | cis | -159.9 | 133.8 | 31.5 | -168.5 | 154.5 | 110.7 | 0 | 0 | 109.6 | R45 | E43-R45 IonicContact OE1-NH2 3.84Š| ||
| 44 | E | 38.6 | Very low | 39.4 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 135.2 | 168.9 | -78.8 | -174.1 | 127.1 | 0 | 0 | 111.1 | ||||
| 45 | R | 34.3 | Very low | 40.9 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -135.2 | 146.8 | 160.6 | -83.2 | -169.2 | -167.2 | -175.6 | 5.2 | 110.2 | E43 | E43-R45 IonicContact OE1-NH2 3.84Š| ||
| 46 | P | 40.5 | Very low | 42.7 | Very low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 163.1 | -154.7 | 28.2 | -35.8 | 0 | 0 | 0 | 113.9 | R48 | P46-R48 PolarHBondContact O-N 2.85Å; P46-R48 VanDerWaalsContact O-N 3.15Å |
| 47 | P | 46 | Very low | 44.2 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 122.5 | -176.7 | 24.7 | -32.6 | 0 | 0 | 0 | 109.9 | H49 | P47-H49 PolarHBondContact O-N 2.78Š|
| 48 | R | 38 | Very low | 46.4 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.2 | 169.5 | -73.9 | -155.5 | 172.7 | -161.7 | 0.6 | 108.8 | P46 R50 | P46-R48 PolarHBondContact O-N 2.85Å; P46-R48 VanDerWaalsContact O-N 3.15Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.25Å |
| 49 | H | 51.9 | Low | 48.5 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 89% | 0.889 | 72% | 0.723 | S | S | * | * | trans | -52.5 | 98.1 | 160.4 | -101 | -72.6 | 0 | 0 | 0 | 108.7 | P47 S51 | P47-H49 PolarHBondContact O-N 2.78Å; H49-S51 PolarHBondContact O-N 3.18Å | ||
| 50 | R | 43.6 | Very low | 50.8 | Low | 199 Ų | 199 | 135.5 Ų | 135.5 | 75% | 0.751 | 72% | 0.717 | S | S | * | * | trans | -91 | 83.3 | 168.3 | -162.7 | 173.7 | -167 | 167.6 | 3.8 | 106.8 | R48 R52 | R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.25Å; R50-R52 HydrophobicContact CG-CB 4.21Å; R50-R52 PolarHBondContact O-N 3.11Å | ||
| 51 | S | 57.1 | Low | 53 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | -69.6 | 75 | 162.7 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | H49 K53 | H49-S51 PolarHBondContact O-N 3.18Å; S51-K53 PolarHBondContact O-N 3.02Å | ||
| 52 | R | 45.5 | Very low | 55.6 | Low | 195 Ų | 195 | 136.9 Ų | 136.9 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -97.2 | 74.3 | 165.5 | -158.4 | 161.9 | 100.1 | 165.7 | 3.6 | 108.7 | R50 G54 | R50-R52 HydrophobicContact CG-CB 4.21Å; R50-R52 PolarHBondContact O-N 3.11Å; R52-G54 PolarHBondContact O-N 3.24Å | ||
| 53 | K | 56.8 | Low | 58.3 | Low | 213 Ų | 213 | 132.2 Ų | 132.2 | 93% | 0.926 | 69% | 0.686 | S | S | * | * | trans | -70.6 | 70.6 | 154.3 | -91.9 | -178.6 | 174.6 | 177 | 0 | 107.7 | S51 G55 | S51-K53 PolarHBondContact O-N 3.02Å; K53-G55 PolarHBondContact O-N 2.82Å | ||
| 54 | G | 56.3 | Low | 61 | Low | 56 Ų | 56 | 129.2 Ų | 129.2 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | trans | -85.1 | 92.9 | 161 | 0 | 0 | 0 | 0 | 0 | 106.3 | R52 S56 | R52-G54 PolarHBondContact O-N 3.24Å; G54-S56 PolarHBondContact O-N 2.77Å | ||
| 55 | G | 60.2 | Low | 63.6 | Low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | trans | -54.9 | 123.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K53 V57 | K53-G55 PolarHBondContact O-N 2.82Å; G55-V57 VanDerWaalsContact C-N 3.34Å; G55-V57 PolarHBondContact O-N 2.9Å | ||
| 56 | S | 66.4 | Low | 66.3 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 60% | 0.601 | 64% | 0.644 | S | S | * | * | trans | -65.9 | 95.1 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | G54 G58 G59 V60 | G54-S56 PolarHBondContact O-N 2.77Å; S56-G58 PolarHBondContact O-N 3.11Å; S56-G59 WeakPolarHBondContact O-CA 2.87Å; S56-G59 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact OG-N 2.84Å; S56-V60 PolarHBondContact O-N 3.32Å | ||
| 57 | V | 67.3 | Low | 68.8 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -54.1 | -38.1 | 179.1 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | G55 V60 C61 | G55-V57 VanDerWaalsContact C-N 3.34Å; G55-V57 PolarHBondContact O-N 2.9Å; V57-V60 PolarHBondContact O-N 2.84Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.98Å |
| 58 | G | 71.1 | Confident | 71.2 | Confident | 36 Ų | 36 | 115.1 Ų | 115.1 | 37% | 0.371 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.5 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S56 V60 C61 Y62 | S56-G58 PolarHBondContact O-N 3.11Å; G58-V60 VanDerWaalsContact C-N 3.33Å; G58-V60 PolarHBondContact O-N 3.48Å; G58-C61 PolarHBondContact O-N 2.82Å; G58-Y62 WeakPolarHBondContact O-CD2 3.04Å; G58-Y62 PolarHBondContact O-N 3.43Å |
| 59 | G | 76.9 | Confident | 73.9 | Confident | 29 Ų | 29 | 108.7 Ų | 108.7 | 30% | 0.299 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.5 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S56 C61 Y62 L63 | S56-G59 WeakPolarHBondContact O-CA 2.87Å; S56-G59 PolarHBondContact O-N 3.17Å; S56-G59 PolarHBondContact OG-N 2.84Å; G59-C61 VanDerWaalsContact C-N 3.35Å; G59-C61 PolarHBondContact O-N 3.12Å; G59-Y62 PolarHBondContact O-N 2.65Å; G59-L63 WeakPolarHBondContact O-CB 3.48Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.27Å |
| 60 | V | 83 | Confident | 76 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -38.3 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | S56 V57 G58 S64 | S56-V60 PolarHBondContact O-N 3.32Å; V57-V60 PolarHBondContact O-N 2.84Å; G58-V60 VanDerWaalsContact C-N 3.33Å; G58-V60 PolarHBondContact O-N 3.48Å; V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 2.84Å; V60-S64 PolarHBondContact O-OG 3.5Å |
| 61 | C | 84.2 | Confident | 78.4 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 43% | 0.432 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.5 | -37.8 | 176.6 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | V57 G58 G59 S64 M65 | V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.98Å; G58-C61 PolarHBondContact O-N 2.82Å; G59-C61 VanDerWaalsContact C-N 3.35Å; G59-C61 PolarHBondContact O-N 3.12Å; C61-S64 WeakPolarHBondContact CA-OG 3.27Å; C61-S64 PolarHBondContact O-N 3.35Å; C61-S64 PolarHBondContact O-OG 3.01Å; C61-M65 WeakPolarHBondContact O-CB 3.36Å; C61-M65 VanDerWaalsContact O-CG 3.29Å; C61-M65 WeakPolarHBondContact O-CG 3.48Å; C61-M65 PolarHBondContact O-N 2.81Å |
| 62 | Y | 87.3 | Confident | 80.2 | Confident | 191 Ų | 191 | 100 Ų | 100 | 75% | 0.749 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.8 | -36.5 | 175.8 | -72 | -65.9 | 0 | 0 | 0 | 112.1 | G58 G59 G66 | G58-Y62 WeakPolarHBondContact O-CD2 3.04Å; G58-Y62 PolarHBondContact O-N 3.43Å; G59-Y62 PolarHBondContact O-N 2.65Å; Y62-G66 PolarHBondContact O-N 3.11Å |
| 63 | L | 87.9 | Confident | 82.6 | Confident | 127 Ų | 127 | 92.6 Ų | 92.6 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.8 | -41 | 173.2 | -68.9 | 173 | 0 | 0 | 0 | 111.3 | G59 G66 M67 | G59-L63 WeakPolarHBondContact O-CB 3.48Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.27Å; L63-G66 PolarHBondContact O-N 3.16Å; L63-M67 WeakPolarHBondContact O-CB 3.21Å; L63-M67 WeakPolarHBondContact O-CG 3.44Å; L63-M67 PolarHBondContact O-N 3.34Å |
| 64 | S | 88.9 | Confident | 84.4 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.7 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | V60 C61 M67 V68 | V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 2.84Å; V60-S64 PolarHBondContact O-OG 3.5Å; C61-S64 WeakPolarHBondContact CA-OG 3.27Å; C61-S64 PolarHBondContact O-N 3.35Å; C61-S64 PolarHBondContact O-OG 3.01Å; S64-M67 PolarHBondContact O-N 2.79Å; S64-V68 WeakPolarHBondContact O-CG2 3.36Å; S64-V68 PolarHBondContact O-N 3.41Å |
| 65 | M | 91.6 | Very high | 86.2 | Confident | 128 Ų | 128 | 89 Ų | 89 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 175.5 | -71.1 | -64.6 | -177.5 | 0 | 0 | 112.2 | C61 M67 V68 V69 | C61-M65 WeakPolarHBondContact O-CB 3.36Å; C61-M65 VanDerWaalsContact O-CG 3.29Å; C61-M65 WeakPolarHBondContact O-CG 3.48Å; C61-M65 PolarHBondContact O-N 2.81Å; M65-M67 VanDerWaalsContact C-N 3.34Å; M65-M67 PolarHBondContact O-N 3.09Å; M65-V68 PolarHBondContact O-N 3.16Å; M65-V69 WeakPolarHBondContact O-CG2 3.45Å; M65-V69 PolarHBondContact O-N 3.22Å |
| 66 | G | 92.3 | Very high | 87.8 | Confident | 34 Ų | 34 | 93.1 Ų | 93.1 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y62 L63 V68 V69 L70 | Y62-G66 PolarHBondContact O-N 3.11Å; L63-G66 PolarHBondContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.2Å; G66-V69 PolarHBondContact O-N 3.24Å; G66-L70 VanDerWaalsContact O-CG 3.31Å; G66-L70 WeakPolarHBondContact O-CG 3.49Å; G66-L70 PolarHBondContact O-N 2.72Å |
| 67 | M | 93.4 | Very high | 89 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 56% | 0.562 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 174.8 | -72.4 | -66.4 | -73.7 | 0 | 0 | 112.1 | L63 S64 M65 L70 L71 | L63-M67 WeakPolarHBondContact O-CB 3.21Å; L63-M67 WeakPolarHBondContact O-CG 3.44Å; L63-M67 PolarHBondContact O-N 3.34Å; S64-M67 PolarHBondContact O-N 2.79Å; M65-M67 VanDerWaalsContact C-N 3.34Å; M65-M67 PolarHBondContact O-N 3.09Å; M67-L70 PolarHBondContact O-N 2.74Å; M67-L71 WeakPolarHBondContact O-CB 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.19Å |
| 68 | V | 95.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 89 Ų | 89 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | S64 M65 G66 L70 L71 M72 | S64-V68 WeakPolarHBondContact O-CG2 3.36Å; S64-V68 PolarHBondContact O-N 3.41Å; M65-V68 PolarHBondContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.2Å; V68-L70 PolarHBondContact O-N 2.91Å; V68-L71 PolarHBondContact O-N 3.23Å; V68-M72 VanDerWaalsContact O-CG 3.32Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 2.95Å |
| 69 | V | 95.1 | Very high | 91 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 62% | 0.624 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | M65 G66 M72 G73 | M65-V69 WeakPolarHBondContact O-CG2 3.45Å; M65-V69 PolarHBondContact O-N 3.22Å; G66-V69 PolarHBondContact O-N 3.24Å; V69-M72 PolarHBondContact O-N 3.39Å; V69-G73 PolarHBondContact O-N 3.13Å |
| 70 | L | 95.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 97 Ų | 97 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 175.6 | -72.9 | 172.3 | 0 | 0 | 0 | 112 | G66 M67 V68 G73 L74 | G66-L70 VanDerWaalsContact O-CG 3.31Å; G66-L70 WeakPolarHBondContact O-CG 3.49Å; G66-L70 PolarHBondContact O-N 2.72Å; M67-L70 PolarHBondContact O-N 2.74Å; V68-L70 PolarHBondContact O-N 2.91Å; L70-G73 PolarHBondContact O-N 3.37Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.86Å |
| 71 | L | 94.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -43 | 177 | -72 | 170.9 | 0 | 0 | 0 | 111.4 | M67 V68 L74 V75 | M67-L71 WeakPolarHBondContact O-CB 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.4Å; M67-L71 PolarHBondContact O-N 3.19Å; V68-L71 PolarHBondContact O-N 3.23Å; L71-L74 PolarHBondContact O-N 2.89Å; L71-V75 WeakPolarHBondContact O-CG2 3.22Å; L71-V75 PolarHBondContact O-N 3.09Å |
| 72 | M | 95.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 100.2 Ų | 100.2 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.5 | -69.4 | -61.9 | 178.7 | 0 | 0 | 111.2 | V68 V69 L74 V75 F76 | V68-M72 VanDerWaalsContact O-CG 3.32Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 2.95Å; V69-M72 PolarHBondContact O-N 3.39Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.18Å; M72-V75 PolarHBondContact O-N 3.47Å; M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 PolarHBondContact O-N 3.18Å |
| 73 | G | 95.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 99 Ų | 99 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V69 L70 F76 A77 | V69-G73 PolarHBondContact O-N 3.13Å; L70-G73 PolarHBondContact O-N 3.37Å; G73-F76 PolarHBondContact O-N 3.28Å; G73-A77 VanDerWaalsContact O-CB 3.23Å; G73-A77 WeakPolarHBondContact O-CB 3.17Å; G73-A77 PolarHBondContact O-N 3.41Å |
| 74 | L | 95.2 | Very high | 90.7 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -37.6 | 175.4 | -73.6 | 171.9 | 0 | 0 | 0 | 112.3 | L70 L71 M72 S78 | L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 2.89Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.18Å; L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.43Å; L74-S78 PolarHBondContact O-OG 3.03Å |
| 75 | V | 94.6 | Very high | 89.7 | Confident | 80 Ų | 80 | 103.7 Ų | 103.7 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | L71 M72 S78 V79 | L71-V75 WeakPolarHBondContact O-CG2 3.22Å; L71-V75 PolarHBondContact O-N 3.09Å; M72-V75 PolarHBondContact O-N 3.47Å; V75-S78 WeakPolarHBondContact CA-OG 3.03Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.31Å; V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 VanDerWaalsContact O-CG2 3.25Å; V75-V79 WeakPolarHBondContact O-CG2 3.22Å; V75-V79 PolarHBondContact O-N 2.87Å |
| 76 | F | 92.4 | Very high | 88.3 | Confident | 147 Ų | 147 | 103.3 Ų | 103.3 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 177.5 | -76.1 | -69.6 | 0 | 0 | 0 | 112.7 | M72 G73 V79 Y80 | M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 PolarHBondContact O-N 3.18Å; G73-F76 PolarHBondContact O-N 3.28Å; F76-V79 PolarHBondContact O-N 3.28Å; F76-Y80 WeakPolarHBondContact O-CB 3.08Å; F76-Y80 PolarHBondContact O-N 2.87Å |
| 77 | A | 91.5 | Very high | 86.7 | Confident | 45 Ų | 45 | 105.5 Ų | 105.5 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G73 Y80 I81 | G73-A77 VanDerWaalsContact O-CB 3.23Å; G73-A77 WeakPolarHBondContact O-CB 3.17Å; G73-A77 PolarHBondContact O-N 3.41Å; A77-Y80 PolarHBondContact O-N 3.12Å; A77-I81 VanDerWaalsContact O-CB 3.31Å; A77-I81 WeakPolarHBondContact O-CB 3.44Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 WeakPolarHBondContact O-CG1 3.14Å; A77-I81 PolarHBondContact O-N 3.39Å |
| 78 | S | 91 | Very high | 84.9 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | L74 V75 Y82 | L74-S78 WeakPolarHBondContact O-CB 3.26Å; L74-S78 PolarHBondContact O-N 3.43Å; L74-S78 PolarHBondContact O-OG 3.03Å; V75-S78 WeakPolarHBondContact CA-OG 3.03Å; V75-S78 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-OG 3.31Å; S78-Y82 WeakPolarHBondContact O-CA 3.4Å; S78-Y82 WeakPolarHBondContact O-CB 3.48Å; S78-Y82 PolarHBondContact O-N 2.92Å |
| 79 | V | 90.5 | Very high | 82.7 | Confident | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | V75 F76 Y82 R83 | V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.44Å; V75-V79 VanDerWaalsContact O-CG2 3.25Å; V75-V79 WeakPolarHBondContact O-CG2 3.22Å; V75-V79 PolarHBondContact O-N 2.87Å; F76-V79 PolarHBondContact O-N 3.28Å; V79-Y82 PolarHBondContact O-N 3.26Å; V79-R83 HydrophobicContact CG1-CG 4.09Å; V79-R83 VanDerWaalsContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CG 2.98Å; V79-R83 PolarHBondContact O-N 3.11Å |
| 80 | Y | 87.7 | Confident | 80.7 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 178.3 | -177.1 | -97.3 | 0 | 0 | 0 | 111.6 | F76 A77 Y82 R83 Y84 | F76-Y80 WeakPolarHBondContact O-CB 3.08Å; F76-Y80 PolarHBondContact O-N 2.87Å; A77-Y80 PolarHBondContact O-N 3.12Å; Y80-Y82 VanDerWaalsContact C-N 3.33Å; Y80-R83 PolarHBondContact O-N 3.24Å; Y80-Y84 WeakPolarHBondContact O-CB 3.25Å; Y80-Y84 PolarHBondContact O-N 2.84Å |
| 81 | I | 85.4 | Confident | 78.3 | Confident | 100 Ų | 100 | 100 Ų | 100 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 175 | -65.5 | 165.1 | 0 | 0 | 0 | 110.3 | A77 F85 F86 | A77-I81 VanDerWaalsContact O-CB 3.31Å; A77-I81 WeakPolarHBondContact O-CB 3.44Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 WeakPolarHBondContact O-CG1 3.14Å; A77-I81 PolarHBondContact O-N 3.39Å; I81-F85 HydrophobicContact CG2-CB 4.15Å; I81-F85 VanDerWaalsContact O-CA 3.26Å; I81-F85 WeakPolarHBondContact O-CA 3.49Å; I81-F85 WeakPolarHBondContact O-CB 3.36Å; I81-F85 PolarHBondContact O-N 3.28Å; I81-F86 PolarHBondContact O-N 3.21Å |
| 82 | Y | 82.3 | Confident | 75.8 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 50% | 0.502 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -69.5 | -39.9 | 176.9 | -175.2 | -95.4 | 0 | 0 | 0 | 111.7 | S78 V79 Y80 F86 L87 | S78-Y82 WeakPolarHBondContact O-CA 3.4Å; S78-Y82 WeakPolarHBondContact O-CB 3.48Å; S78-Y82 PolarHBondContact O-N 2.92Å; V79-Y82 PolarHBondContact O-N 3.26Å; Y80-Y82 VanDerWaalsContact C-N 3.33Å; Y82-F86 HydrophobicContact CD2-CB 3.61Å; Y82-F86 HydrophobicContact CD2-CD1 4.27Å; Y82-F86 AromaticContact CD2-CD2 3.92Å; Y82-F86 HydrophobicContact CD2-CD2 3.92Å; Y82-F86 AromaticContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CE2-CB 3.86Å; Y82-F86 AromaticContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD2 4.37Å; Y82-F86 AromaticContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CG-CB 4.01Å; Y82-F86 CarbonylContact O-C 3.42Å; Y82-F86 WeakPolarHBondContact O-CA 3.25Å; Y82-F86 WeakPolarHBondContact O-CB 3.17Å; Y82-F86 PolarHBondContact O-N 2.87Å; Y82-L87 PolarHBondContact O-N 3.48Å |
| 83 | R | 79.6 | Confident | 73.2 | Confident | 165 Ų | 165 | 98.9 Ų | 98.9 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -72.5 | -42.8 | 176.2 | -72.1 | -69 | -165.5 | 144.5 | -0.8 | 111.8 | V79 Y80 L87 | V79-R83 HydrophobicContact CG1-CG 4.09Å; V79-R83 VanDerWaalsContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CB 3.24Å; V79-R83 WeakPolarHBondContact O-CG 2.98Å; V79-R83 PolarHBondContact O-N 3.11Å; Y80-R83 PolarHBondContact O-N 3.24Å; R83-L87 HydrophobicContact CB-CD1 4.31Å; R83-L87 HydrophobicContact CG-CD1 4.33Å; R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.26Å |
| 84 | Y | 77.2 | Confident | 70.6 | Confident | 158 Ų | 158 | 100.7 Ų | 100.7 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -82.5 | -46.1 | -175.1 | -173.5 | -95 | 0 | 0 | 0 | 112.2 | Y80 A88 | Y80-Y84 WeakPolarHBondContact O-CB 3.25Å; Y80-Y84 PolarHBondContact O-N 2.84Å; Y84-A88 WeakPolarHBondContact O-CB 3.41Å |
| 85 | F | 68.8 | Low | 67.9 | Low | 126 Ų | 126 | 98.9 Ų | 98.9 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | I | π-helix | trans | -87.3 | -54.2 | 179.5 | -141.8 | -92.4 | 0 | 0 | 0 | 110 | I81 Q89 | I81-F85 HydrophobicContact CG2-CB 4.15Å; I81-F85 VanDerWaalsContact O-CA 3.26Å; I81-F85 WeakPolarHBondContact O-CA 3.49Å; I81-F85 WeakPolarHBondContact O-CB 3.36Å; I81-F85 PolarHBondContact O-N 3.28Å; F85-Q89 WeakPolarHBondContact O-CA 3.18Å; F85-Q89 WeakPolarHBondContact O-CB 3.03Å; F85-Q89 PolarHBondContact O-N 3.42Å |
| 86 | F | 61.3 | Low | 65 | Low | 120 Ų | 120 | 103.4 Ų | 103.4 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -70.3 | -40 | -175.9 | -102.7 | -95 | 0 | 0 | 0 | 114.7 | I81 Y82 L90 | I81-F86 PolarHBondContact O-N 3.21Å; Y82-F86 HydrophobicContact CD2-CB 3.61Å; Y82-F86 HydrophobicContact CD2-CD1 4.27Å; Y82-F86 AromaticContact CD2-CD2 3.92Å; Y82-F86 HydrophobicContact CD2-CD2 3.92Å; Y82-F86 AromaticContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CD2-CG 3.7Å; Y82-F86 HydrophobicContact CE2-CB 3.86Å; Y82-F86 AromaticContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD1 3.93Å; Y82-F86 HydrophobicContact CE2-CD2 4.37Å; Y82-F86 AromaticContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CE2-CG 3.82Å; Y82-F86 HydrophobicContact CG-CB 4.01Å; Y82-F86 CarbonylContact O-C 3.42Å; Y82-F86 WeakPolarHBondContact O-CA 3.25Å; Y82-F86 WeakPolarHBondContact O-CB 3.17Å; Y82-F86 PolarHBondContact O-N 2.87Å; F86-L90 VanDerWaalsContact O-CB 3.25Å; F86-L90 WeakPolarHBondContact O-CB 3.44Å; F86-L90 PolarHBondContact O-N 2.89Å |
| 87 | L | 59.4 | Low | 62.1 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.1 | -37.2 | 175.7 | -65.7 | 168.9 | 0 | 0 | 0 | 112.7 | Y82 R83 Q89 L90 A91 | Y82-L87 PolarHBondContact O-N 3.48Å; R83-L87 HydrophobicContact CB-CD1 4.31Å; R83-L87 HydrophobicContact CG-CD1 4.33Å; R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.26Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-L90 PolarHBondContact O-N 2.02Å; L87-A91 PolarHBondContact O-N 3.23Å |
| 88 | A | 55.8 | Low | 59.3 | Low | 57 Ų | 57 | 106.1 Ų | 106.1 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y84 R92 | Y84-A88 WeakPolarHBondContact O-CB 3.41Å; A88-R92 WeakPolarHBondContact O-CB 2.96Å; A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.16Å |
| 89 | Q | 49.2 | Very low | 56.5 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.3 | -33.6 | 173.5 | -163.8 | 71.3 | 20 | 0 | 0 | 111.5 | F85 L87 A91 R92 D93 | F85-Q89 WeakPolarHBondContact O-CA 3.18Å; F85-Q89 WeakPolarHBondContact O-CB 3.03Å; F85-Q89 PolarHBondContact O-N 3.42Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; Q89-R92 CarbonylContact O-C 3.46Å; Q89-R92 WeakPolarHBondContact O-CA 3.47Å; Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.12Å; Q89-D93 WeakPolarHBondContact CG-OD2 3.33Å; Q89-D93 PolarHBondContact NE2-OD2 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.38Å; Q89-D93 PolarHBondContact O-N 3.23Å |
| 90 | L | 52.3 | Low | 53.7 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 171.2 | -121.9 | 127.4 | 0 | 0 | 0 | 111.5 | F86 L87 R92 D93 N94 | F86-L90 VanDerWaalsContact O-CB 3.25Å; F86-L90 WeakPolarHBondContact O-CB 3.44Å; F86-L90 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 2.02Å; L90-R92 PolarHBondContact O-N 3.01Å; L90-D93 CarbonylContact O-C 3.34Å; L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-OD1 3.08Å |
| 91 | A | 44.1 | Very low | 50.9 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -19.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L87 Q89 N94 | L87-A91 PolarHBondContact O-N 3.23Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; A91-N94 PolarHBondContact O-ND2 3.37Å |
| 92 | R | 42 | Very low | 48.3 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -91.7 | -34.1 | 176.1 | -93.9 | -94.2 | 176.8 | 114.1 | -4.2 | 113.2 | A88 Q89 L90 E125 | A88-R92 WeakPolarHBondContact O-CB 2.96Å; A88-R92 PolarHBondContact O-N 2.97Å; A88-R92 VanDerWaalsContact O-N 3.16Å; Q89-R92 CarbonylContact O-C 3.46Å; Q89-R92 WeakPolarHBondContact O-CA 3.47Å; Q89-R92 WeakPolarHBondContact O-CB 3.38Å; Q89-R92 PolarHBondContact O-N 3.12Å; L90-R92 PolarHBondContact O-N 3.01Å; R92-E125 WeakPolarHBondContact CD-OE2 2.85Å; R92-E125 IonicContact CZ-OE1 3.43Å; R92-E125 IonicContact CZ-OE2 3.53Å; R92-E125 IonicContact NE-OE1 2.84Å; R92-E125 PolarHBondContact NE-OE1 3.05Å; R92-E125 IonicContact NE-OE2 3.89Å; R92-E125 PolarHBondContact NE-OE2 3.23Å; R92-E125 IonicContact NH2-OE1 2.76Å; R92-E125 PolarHBondContact NH2-OE1 3.41Å; R92-E125 IonicContact NH2-OE2 3.24Å |
| 93 | D | 41.6 | Very low | 45.8 | Very low | 63 Ų | 63 | 115.5 Ų | 115.5 | 34% | 0.337 | 58% | 0.581 | S | S | . | * | trans | -109.6 | 52.3 | 177.7 | -70.3 | -42.9 | 0 | 0 | 0 | 108.6 | Q89 L90 F95 | Q89-D93 WeakPolarHBondContact CG-OD2 3.33Å; Q89-D93 PolarHBondContact NE2-OD2 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.38Å; Q89-D93 PolarHBondContact O-N 3.23Å; L90-D93 CarbonylContact O-C 3.34Å; D93-F95 HydrophobicContact CB-CD2 4.34Å; D93-F95 PolarHBondContact O-N 3.09Å | ||
| 94 | N | 39.9 | Very low | 43.5 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | trans | -68.9 | 77.3 | 166.9 | -65.6 | -58.4 | 0 | 0 | 0 | 108.5 | L90 A91 F96 | L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-OD1 3.08Å; A91-N94 PolarHBondContact O-ND2 3.37Å; N94-F96 VanDerWaalsContact C-N 3.34Å; N94-F96 HydrophobicContact CB-CD2 3.97Å; N94-F96 HydrophobicContact CB-CE2 3.42Å; N94-F96 VanDerWaalsContact CB-CE2 3.42Å; N94-F96 HydrophobicContact CB-CZ 3.9Å; N94-F96 WeakPolarHBondContact O-CD2 3.49Å; N94-F96 PolarHBondContact O-N 2.82Å | ||
| 95 | F | 38.6 | Very low | 41.7 | Very low | 78 Ų | 78 | 109.7 Ų | 109.7 | 34% | 0.342 | 58% | 0.582 | S | S | . | * | trans | -69.6 | 94.2 | 164 | -90.7 | -94.1 | 0 | 0 | 0 | 107.8 | D93 H97 D119 K121 | D93-F95 HydrophobicContact CB-CD2 4.34Å; D93-F95 PolarHBondContact O-N 3.09Å; F95-H97 PolarHBondContact O-N 3.09Å; F95-D119 HydrophobicContact CE1-CB 3.98Å; F95-K121 HydrophobicContact CE1-CG 4.34Å; F95-K121 HydrophobicContact CE2-CG 4.09Å; F95-K121 HydrophobicContact CZ-CD 4.19Å; F95-K121 HydrophobicContact CZ-CG 3.59Å | ||
| 96 | F | 35.1 | Very low | 40.6 | Very low | 175 Ų | 175 | 111.2 Ų | 111.2 | 77% | 0.768 | 60% | 0.595 | S | S | * | * | trans | -79.9 | 99.7 | 168 | -65.6 | -77.8 | 0 | 0 | 0 | 108.2 | N94 C98 | N94-F96 VanDerWaalsContact C-N 3.34Å; N94-F96 HydrophobicContact CB-CD2 3.97Å; N94-F96 HydrophobicContact CB-CE2 3.42Å; N94-F96 VanDerWaalsContact CB-CE2 3.42Å; N94-F96 HydrophobicContact CB-CZ 3.9Å; N94-F96 WeakPolarHBondContact O-CD2 3.49Å; N94-F96 PolarHBondContact O-N 2.82Å; F96-C98 PolarHBondContact O-N 2.91Å; F96-C98 VanDerWaalsContact O-N 3.09Å | ||
| 97 | H | 31.1 | Very low | 39.8 | Very low | 140 Ų | 140 | 109.1 Ų | 109.1 | 65% | 0.648 | 60% | 0.595 | S | S | * | * | trans | -71.8 | 99.1 | 166.5 | -67.9 | -68.2 | 0 | 0 | 0 | 108.6 | F95 D119 | F95-H97 PolarHBondContact O-N 3.09Å; H97-D119 IonicContact CE1-OD1 3.53Å | ||
| 98 | C | 32.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | trans | -108.9 | 92.3 | 168.8 | -158 | 0 | 0 | 0 | 0 | 108 | F96 V100 | F96-C98 PolarHBondContact O-N 2.91Å; F96-C98 VanDerWaalsContact O-N 3.09Å; C98-V100 PolarHBondContact O-N 2.81Å | ||
| 99 | G | 32.8 | Very low | 38.2 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | trans | -73.5 | 113.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 100 | V | 30.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | -94.8 | 108.2 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | C98 Y102 | C98-V100 PolarHBondContact O-N 2.81Å; V100-Y102 PolarHBondContact O-N 2.84Å | ||
| 101 | L | 30.7 | Very low | 37.4 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 80% | 0.801 | 67% | 0.668 | S | S | * | * | trans | -72.7 | 105.8 | 171.7 | -118.6 | 149.6 | 0 | 0 | 0 | 108.2 | ||||
| 102 | Y | 29.6 | Very low | 37.1 | Very low | 187 Ų | 187 | 129 Ų | 129 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | -93 | 98.2 | 179.7 | -147.3 | -89.8 | 0 | 0 | 0 | 109.4 | V100 D104 | V100-Y102 PolarHBondContact O-N 2.84Å; Y102-D104 HydrophobicContact CD1-CB 4.44Å | ||
| 103 | E | 31.1 | Very low | 36.7 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | trans | -87.6 | 102.8 | 163.4 | -95.6 | -159.9 | 151.7 | 0 | 0 | 109.1 | ||||
| 104 | D | 31.3 | Very low | 36.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 46% | 0.455 | 71% | 0.708 | S | S | . | * | trans | -79.7 | 114.4 | 166.1 | -109 | -31.7 | 0 | 0 | 0 | 108.9 | Y102 L106 S107 | Y102-D104 HydrophobicContact CD1-CB 4.44Å; D104-L106 PolarHBondContact O-N 3.27Å; D104-S107 WeakPolarHBondContact CB-OG 3.46Å; D104-S107 PolarHBondContact O-N 3.05Å; D104-S107 PolarHBondContact O-OG 3.27Å | ||
| 105 | S | 39.2 | Very low | 36.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 2.9 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 106 | L | 45.7 | Very low | 36 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -8.2 | 176.4 | -66.9 | 174.4 | 0 | 0 | 0 | 113.5 | D104 S108 | D104-L106 PolarHBondContact O-N 3.27Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.01Å |
| 107 | S | 42.8 | Very low | 35.9 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | trans | -96.1 | 34.2 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | D104 Q109 | D104-S107 WeakPolarHBondContact CB-OG 3.46Å; D104-S107 PolarHBondContact O-N 3.05Å; D104-S107 PolarHBondContact O-OG 3.27Å; S107-Q109 PolarHBondContact O-N 3.35Å | ||
| 108 | S | 37.5 | Very low | 36 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 13.9 | -179 | 68.7 | 0 | 0 | 0 | 0 | 115.2 | L106 | L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.01Å |
| 109 | Q | 45.1 | Very low | 36.1 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | -11.9 | -172.9 | -154.5 | 146.1 | 1.1 | 0 | 0 | 117.7 | S107 | S107-Q109 PolarHBondContact O-N 3.35Š|
| 110 | I | 42.5 | Very low | 36.2 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | trans | -132.3 | 107.8 | 177.5 | -65.7 | 179.9 | 0 | 0 | 0 | 111 | T112 | I110-T112 PolarHBondContact O-N 3Š| ||
| 111 | R | 41.4 | Very low | 36.4 | Very low | 255 Ų | 255 | 142.9 Ų | 142.9 | 96% | 0.962 | 71% | 0.711 | S | S | * | * | trans | -66.8 | 77.4 | -176.4 | -134.5 | -177.9 | -178.9 | 170.9 | -1.8 | 111.9 | ||||
| 112 | T | 37.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | trans | -139.6 | 89.7 | 165.1 | 23.1 | 0 | 0 | 0 | 0 | 109.2 | I110 L114 | I110-T112 PolarHBondContact O-N 3Å; T112-L114 PolarHBondContact O-N 3.39Å; T112-L114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | R | 34.8 | Very low | 36.9 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | trans | -64.5 | 96.6 | 167.4 | -179.2 | -179.7 | 174.3 | 176.5 | -2.6 | 107.6 | E115 | R113-E115 IonicContact CZ-OE1 3.74Å; R113-E115 IonicContact NE-OE1 3.39Å; R113-E115 PolarHBondContact NE-OE1 3.06Å; R113-E115 IonicContact NH2-OE1 2.76Å; R113-E115 PolarHBondContact NH2-OE1 3.5Å | ||
| 114 | L | 38.3 | Very low | 37.5 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | trans | -93.3 | 102.5 | 167.5 | -95.7 | 88.8 | 0 | 0 | 0 | 108.1 | T112 | T112-L114 PolarHBondContact O-N 3.39Å; T112-L114 VanDerWaalsContact O-N 3.11Å | ||
| 115 | E | 33.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | trans | -77.6 | 110.1 | 158.4 | -86.9 | 163.4 | -177.2 | 0 | 0 | 106.5 | R113 | R113-E115 IonicContact CZ-OE1 3.74Å; R113-E115 IonicContact NE-OE1 3.39Å; R113-E115 PolarHBondContact NE-OE1 3.06Å; R113-E115 IonicContact NH2-OE1 2.76Å; R113-E115 PolarHBondContact NH2-OE1 3.5Å | ||
| 116 | L | 33.6 | Very low | 38.2 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | -95.8 | 109.1 | 174.6 | -160.5 | 81.6 | 0 | 0 | 0 | 107.8 | E118 | L116-E118 HydrophobicContact CG-CG 4.42Š| ||
| 117 | E | 33.7 | Very low | 37.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -104.9 | 103.8 | 179.1 | -167.7 | 158.6 | -178.9 | 0 | 0 | 108.1 | ||||
| 118 | E | 33.3 | Very low | 37.5 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -124.7 | 123.3 | 178.8 | -77.4 | -170.4 | 152.1 | 0 | 0 | 111.5 | L116 V120 | L116-E118 HydrophobicContact CG-CG 4.42Å; E118-V120 PolarHBondContact O-N 3.01Å | ||
| 119 | D | 32.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | trans | -79.9 | 108.6 | 177.7 | -83.9 | -29.7 | 0 | 0 | 0 | 111.1 | F95 H97 | F95-D119 HydrophobicContact CE1-CB 3.98Å; H97-D119 IonicContact CE1-OD1 3.53Å | ||
| 120 | V | 35.9 | Very low | 36.5 | Very low | 83 Ų | 83 | 152.5 Ų | 152.5 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | trans | -112 | 115.4 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | E118 T221 | E118-V120 PolarHBondContact O-N 3.01Å; V120-T221 HydrophobicContact CG1-CG2 4.41Å | ||
| 121 | K | 33.9 | Very low | 36 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 53% | 0.53 | 70% | 0.699 | S | S | . | * | trans | -85.2 | 116.2 | 178.1 | -71.3 | -176.7 | 177.3 | -174 | 0 | 111.5 | F95 Y123 | F95-K121 HydrophobicContact CE1-CG 4.34Å; F95-K121 HydrophobicContact CE2-CG 4.09Å; F95-K121 HydrophobicContact CZ-CD 4.19Å; F95-K121 HydrophobicContact CZ-CG 3.59Å; K121-Y123 HydrophobicContact CB-CE2 4.15Å | ||
| 122 | I | 37 | Very low | 35.3 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | trans | -101.7 | 114.1 | 174.3 | -56.1 | 173.7 | 0 | 0 | 0 | 108.7 | ||||
| 123 | Y | 34.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -90.9 | 120.3 | 175.6 | -65.9 | -84.5 | 0 | 0 | 0 | 110 | K121 | K121-Y123 HydrophobicContact CB-CE2 4.15Š| ||
| 124 | L | 43.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | trans | -85.8 | -2.1 | -177.5 | -70.6 | 110.5 | 0 | 0 | 0 | 114.4 | ||||
| 125 | E | 47.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -88.8 | -6.7 | -168.7 | -101.2 | 89.2 | 179.9 | 0 | 0 | 117.5 | R92 | R92-E125 WeakPolarHBondContact CD-OE2 2.85Å; R92-E125 IonicContact CZ-OE1 3.43Å; R92-E125 IonicContact CZ-OE2 3.53Å; R92-E125 IonicContact NE-OE1 2.84Å; R92-E125 PolarHBondContact NE-OE1 3.05Å; R92-E125 IonicContact NE-OE2 3.89Å; R92-E125 PolarHBondContact NE-OE2 3.23Å; R92-E125 IonicContact NH2-OE1 2.76Å; R92-E125 PolarHBondContact NH2-OE1 3.41Å; R92-E125 IonicContact NH2-OE2 3.24Å |
| 126 | E | 38.8 | Very low | 35.1 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -122.7 | 100.9 | -178.9 | -68.2 | -171.5 | 174.8 | 0 | 0 | 111.7 | ||
| 127 | N | 36.4 | Very low | 35.6 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 67% | 0.673 | S | S | * | * | trans | 47 | 86.6 | 156.4 | -64 | -50.2 | 0 | 0 | 0 | 117.3 | E129 | N127-E129 PolarHBondContact O-N 2.84Š| ||
| 128 | Y | 36.5 | Very low | 36.2 | Very low | 208 Ų | 208 | 135 Ų | 135 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | -83 | 108 | 151.4 | 53.9 | -88.1 | 0 | 0 | 0 | 109.1 | R130 | Y128-R130 PolarHBondContact O-N 2.87Š| ||
| 129 | E | 30.4 | Very low | 36.7 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | trans | -73.9 | 118.2 | 162.9 | -72.4 | -176.3 | 174.1 | 0 | 0 | 108.2 | N127 I131 | N127-E129 PolarHBondContact O-N 2.84Å; E129-I131 PolarHBondContact O-N 2.99Å | ||
| 130 | R | 30.3 | Very low | 37 | Very low | 211 Ų | 211 | 128.9 Ų | 128.9 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | trans | -71.5 | 100.4 | -178.7 | -159.3 | 178.5 | -167.3 | -175.9 | 4.8 | 109.1 | Y128 N132 | Y128-R130 PolarHBondContact O-N 2.87Å; R130-N132 PolarHBondContact O-N 2.78Å; R130-N132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | I | 33.4 | Very low | 37.4 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | trans | -77.8 | 95.7 | 175 | -53.9 | 175.6 | 0 | 0 | 0 | 108.5 | E129 V133 | E129-I131 PolarHBondContact O-N 2.99Å; I131-V133 VanDerWaalsContact C-N 3.33Å; I131-V133 HydrophobicContact CG2-CG2 3.65Å; I131-V133 PolarHBondContact O-N 3.49Å; I131-V133 VanDerWaalsContact O-N 3.08Å | ||
| 132 | N | 26.9 | Very low | 37.5 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 89.3 | 165.2 | -85.3 | -17.9 | 0 | 0 | 0 | 108.3 | R130 P134 | R130-N132 PolarHBondContact O-N 2.78Å; R130-N132 VanDerWaalsContact O-N 3.09Å; N132-P134 WeakPolarHBondContact O-CD 3.4Å | ||
| 133 | V | 32.5 | Very low | 37.5 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 38% | 0.376 | 66% | 0.657 | S | S | . | * | trans | -70.7 | 118.3 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | I131 V135 I215 | I131-V133 VanDerWaalsContact C-N 3.33Å; I131-V133 HydrophobicContact CG2-CG2 3.65Å; I131-V133 PolarHBondContact O-N 3.49Å; I131-V133 VanDerWaalsContact O-N 3.08Å; V133-V135 PolarHBondContact O-N 3.38Å; V133-I215 HydrophobicContact CB-CD1 4.41Å; V133-I215 HydrophobicContact CG1-CD1 3.67Å; V133-I215 HydrophobicContact CG1-CG1 4.42Å; V133-I215 HydrophobicContact CG2-CD1 3.95Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; V133-I215 HydrophobicContact CG2-CG2 4.11Å | ||
| 134 | P | 28.8 | Very low | 37.8 | Very low | 108 Ų | 108 | 117 Ų | 117 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -59.2 | 128 | 175.3 | 24.1 | -31.4 | 0 | 0 | 0 | 108.3 | N132 P136 | N132-P134 WeakPolarHBondContact O-CD 3.4Å; P134-P136 WeakPolarHBondContact O-CD 3.18Å; P134-P136 VanDerWaalsContact O-N 3.07Å | ||
| 135 | V | 34.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | trans | -58.1 | 114.9 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | V133 Q137 | V133-V135 PolarHBondContact O-N 3.38Å; V135-Q137 PolarHBondContact O-N 3.19Å | ||
| 136 | P | 44 | Very low | 37.4 | Very low | 58 Ų | 58 | 110.7 Ų | 110.7 | 38% | 0.377 | 61% | 0.609 | S | S | . | * | trans | -57.3 | 139.3 | 172.7 | -17 | 29.1 | 0 | 0 | 0 | 108 | P134 F138 | P134-P136 WeakPolarHBondContact O-CD 3.18Å; P134-P136 VanDerWaalsContact O-N 3.07Å; P136-F138 HydrophobicContact CB-CD2 4.04Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.57Å; P136-F138 HydrophobicContact CB-CZ 3.61Å; P136-F138 HydrophobicContact CG-CD2 4.4Å; P136-F138 HydrophobicContact CG-CE1 4.48Å; P136-F138 HydrophobicContact CG-CE2 3.51Å; P136-F138 HydrophobicContact CG-CZ 3.56Å; P136-F138 WeakPolarHBondContact O-CD2 3.11Å; P136-F138 PolarHBondContact O-N 2.74Å | ||
| 137 | Q | 43.9 | Very low | 37.3 | Very low | 199 Ų | 199 | 103.1 Ų | 103.1 | 93% | 0.93 | 57% | 0.574 | S | S | * | * | trans | -70.6 | 83.4 | 175.4 | -65.9 | -178.2 | 16.6 | 0 | 0 | 108.5 | V135 G139 | V135-Q137 PolarHBondContact O-N 3.19Å; Q137-G139 PolarHBondContact O-N 2.76Å | ||
| 138 | F | 44.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 96.9 Ų | 96.9 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | trans | -77.1 | 121.1 | 172.7 | -63.7 | -70.4 | 0 | 0 | 0 | 108.3 | P136 D142 A144 | P136-F138 HydrophobicContact CB-CD2 4.04Å; P136-F138 HydrophobicContact CB-CE1 4.1Å; P136-F138 HydrophobicContact CB-CE2 3.57Å; P136-F138 HydrophobicContact CB-CZ 3.61Å; P136-F138 HydrophobicContact CG-CD2 4.4Å; P136-F138 HydrophobicContact CG-CE1 4.48Å; P136-F138 HydrophobicContact CG-CE2 3.51Å; P136-F138 HydrophobicContact CG-CZ 3.56Å; P136-F138 WeakPolarHBondContact O-CD2 3.11Å; P136-F138 PolarHBondContact O-N 2.74Å; F138-D142 HydrophobicContact CD1-CB 4.33Å; F138-A144 HydrophobicContact CE1-CB 4.31Å | ||
| 139 | G | 44.8 | Very low | 37.4 | Very low | 41 Ų | 41 | 88.8 Ų | 88.8 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | trans | -64.8 | 148.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q137 G141 D142 | Q137-G139 PolarHBondContact O-N 2.76Å; G139-G141 PolarHBondContact O-N 3.01Å; G139-D142 WeakPolarHBondContact CA-OD2 3.14Å; G139-D142 PolarHBondContact N-OD2 2.76Å; G139-D142 PolarHBondContact O-N 3.4Å; G139-D142 VanDerWaalsContact O-N 3.11Å | ||
| 140 | G | 38.6 | Very low | 37.7 | Very low | 96 Ų | 96 | 82.8 Ų | 82.8 | 99% | 0.99 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 103.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 141 | G | 43.4 | Very low | 38 | Very low | 67 Ų | 67 | 80.2 Ų | 80.2 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.8 | -4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G139 P143 | G139-G141 PolarHBondContact O-N 3.01Å; G141-P143 WeakPolarHBondContact O-CD 3.32Å |
| 142 | D | 36.1 | Very low | 38 | Very low | 84 Ų | 84 | 84.8 Ų | 84.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 124.9 | -179.6 | -69.7 | -20.6 | 0 | 0 | 0 | 111.4 | F138 G139 A144 | F138-D142 HydrophobicContact CD1-CB 4.33Å; G139-D142 WeakPolarHBondContact CA-OD2 3.14Å; G139-D142 PolarHBondContact N-OD2 2.76Å; G139-D142 PolarHBondContact O-N 3.4Å; G139-D142 VanDerWaalsContact O-N 3.11Å; D142-A144 PolarHBondContact O-N 2.97Å |
| 143 | P | 38.8 | Very low | 38.5 | Very low | 65 Ų | 65 | 90.9 Ų | 90.9 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 127.2 | 174.4 | 29 | -31.7 | 0 | 0 | 0 | 109.8 | G141 | G141-P143 WeakPolarHBondContact O-CD 3.32Š|
| 144 | A | 39.3 | Very low | 38.6 | Very low | 31 Ų | 31 | 90.7 Ų | 90.7 | 26% | 0.256 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F138 D142 M167 | F138-A144 HydrophobicContact CE1-CB 4.31Å; D142-A144 PolarHBondContact O-N 2.97Å; A144-M167 PolarHBondContact O-N 2.82Å |
| 145 | D | 38.8 | Very low | 39.1 | Very low | 54 Ų | 54 | 91.6 Ų | 91.6 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.6 | 173.4 | -164.5 | 18.4 | 0 | 0 | 0 | 108.2 | Q164 | D145-Q164 PolarHBondContact OD2-NE2 3.36Å |
| 146 | I | 43 | Very low | 39.1 | Very low | 48 Ų | 48 | 96 Ų | 96 | 25% | 0.246 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.9 | 178 | -57.1 | 179 | 0 | 0 | 0 | 107.4 | E165 M167 T226 | I146-E165 PolarHBondContact N-O 3.42Å; I146-E165 PolarHBondContact O-N 2.92Å; I146-E165 VanDerWaalsContact O-N 3.13Å; I146-M167 HydrophobicContact CD1-CB 4.48Å; I146-M167 HydrophobicContact CD1-CG 4.18Å; I146-T226 HydrophobicContact CG2-CG2 3.74Å |
| 147 | I | 38.6 | Very low | 38.4 | Very low | 16 Ų | 16 | 100.5 Ų | 100.5 | 8% | 0.082 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | -179.3 | -74.5 | 167.6 | 0 | 0 | 0 | 109.2 | I162 Q164 T226 | I147-I162 HydrophobicContact CB-CG2 4.4Å; I147-I162 HydrophobicContact CD1-CG2 4.44Å; I147-I162 HydrophobicContact CG1-CG2 4.21Å; I147-I162 HydrophobicContact CG2-CG2 3.41Å; I147-I162 VanDerWaalsContact CG2-CG2 3.41Å; I147-Q164 HydrophobicContact CD1-CG 4.25Å; I147-Q164 HydrophobicContact CG1-CG 3.84Å; I147-T226 VanDerWaalsContact O-CA 3.22Å; I147-T226 WeakPolarHBondContact O-CA 3.42Å; I147-T226 WeakPolarHBondContact O-CB 3.48Å; I147-T226 WeakPolarHBondContact O-CG2 3.31Å; I147-T226 PolarHBondContact O-OG1 3.44Å |
| 148 | H | 37.4 | Very low | 37.9 | Very low | 24 Ų | 24 | 95.8 Ų | 95.8 | 11% | 0.111 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.2 | 171.7 | -62.1 | -112.9 | 0 | 0 | 0 | 109.2 | F150 I163 E219 V224 | H148-F150 HydrophobicContact CB-CD2 4.27Å; H148-F150 HydrophobicContact CB-CE2 3.58Å; H148-F150 HydrophobicContact CB-CZ 4.02Å; H148-I163 PolarHBondContact N-O 2.78Å; H148-E219 IonicContact CE1-OE1 3.48Å; H148-E219 IonicContact CE1-OE2 3.81Å; H148-E219 PolarHBondContact CE1-OE2 2.75Å; H148-E219 IonicContact ND1-OE1 3.61Å; H148-E219 IonicContact ND1-OE2 2.99Å; H148-E219 PolarHBondContact ND1-OE2 3.34Å; H148-V224 HydrophobicContact CB-CG1 4.5Å |
| 149 | D | 36.2 | Very low | 37.1 | Very low | 37 Ų | 37 | 98.5 Ų | 98.5 | 20% | 0.198 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 106.9 | 172.1 | -166.2 | -2.7 | 0 | 0 | 0 | 110 | E225 | D149-E225 PolarHBondContact N-O 3.44Å |
| 150 | F | 36.9 | Very low | 36.7 | Very low | 51 Ų | 51 | 99.7 Ų | 99.7 | 22% | 0.224 | 54% | 0.54 | C | S | . | . | trans | -92.9 | 100.6 | 176.9 | -64.6 | -85 | 0 | 0 | 0 | 110 | H148 R152 Y161 I163 F222 | H148-F150 HydrophobicContact CB-CD2 4.27Å; H148-F150 HydrophobicContact CB-CE2 3.58Å; H148-F150 HydrophobicContact CB-CZ 4.02Å; F150-R152 PolarHBondContact O-N 2.69Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 AromaticContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CG-CE2 4.33Å; F150-I163 HydrophobicContact CD2-CD1 4.4Å; F150-I163 HydrophobicContact CE2-CD1 3.99Å; F150-F222 AromaticContact CD1-CE2 3.94Å; F150-F222 HydrophobicContact CD1-CE2 3.94Å; F150-F222 AromaticContact CE1-CE2 3.61Å; F150-F222 HydrophobicContact CE1-CE2 3.61Å; F150-F222 AromaticContact CE1-CZ 3.98Å; F150-F222 HydrophobicContact CE1-CZ 3.98Å | ||
| 151 | Q | 35.9 | Very low | 36.4 | Very low | 156 Ų | 156 | 100 Ų | 100 | 73% | 0.729 | 51% | 0.513 | S | S | * | . | trans | -90.1 | 94 | 175.2 | -154.8 | 163.5 | 37.5 | 0 | 0 | 111 | R153 | Q151-R153 PolarHBondContact O-N 3.06Š| ||
| 152 | R | 34.5 | Very low | 36.1 | Very low | 210 Ų | 210 | 99.3 Ų | 99.3 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | trans | -71.3 | 119.6 | 169.1 | -87.9 | -170.8 | 173.9 | -138.6 | -0.9 | 110.3 | F150 G154 | F150-R152 PolarHBondContact O-N 2.69Å; R152-G154 PolarHBondContact O-N 2.73Å | ||
| 153 | R | 36.4 | Very low | 36.3 | Very low | 264 Ų | 264 | 97.3 Ų | 97.3 | 100% | 0.996 | 48% | 0.481 | S | S | * | . | trans | -81.2 | 86.6 | 165.2 | -113 | -175.1 | 171.8 | -140.6 | 0.1 | 109.3 | Q151 | Q151-R153 PolarHBondContact O-N 3.06Š| ||
| 154 | G | 34.8 | Very low | 36.4 | Very low | 58 Ų | 58 | 96.2 Ų | 96.2 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | trans | -130.7 | 138.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R152 | R152-G154 PolarHBondContact O-N 2.73Š| ||
| 155 | T | 39.5 | Very low | 36.9 | Very low | 127 Ų | 127 | 96.9 Ų | 96.9 | 78% | 0.779 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -63.4 | 137.3 | 177 | 42.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 156 | Y | 35.7 | Very low | 37.2 | Very low | 219 Ų | 219 | 97.6 Ų | 97.6 | 86% | 0.859 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 80.9 | 91.2 | -179.7 | -50.3 | -80.4 | 0 | 0 | 0 | 115.2 | ||
| 157 | L | 28.6 | Very low | 37.5 | Very low | 154 Ų | 154 | 97.4 Ų | 97.4 | 81% | 0.806 | 47% | 0.468 | S | S | * | . | trans | 73.4 | 109.6 | 168 | -69.1 | 149.6 | 0 | 0 | 0 | 116.8 | Q159 | L157-Q159 PolarHBondContact O-N 3.16Š| ||
| 158 | P | 32.9 | Very low | 38.1 | Very low | 99 Ų | 99 | 98.9 Ų | 98.9 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | trans | -73 | 98.4 | 173.5 | 30.3 | -31.5 | 0 | 0 | 0 | 109.6 | T160 | P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 2.84Å | ||
| 159 | Q | 29.6 | Very low | 38.8 | Very low | 168 Ų | 168 | 101.2 Ų | 101.2 | 79% | 0.785 | 49% | 0.494 | S | S | * | . | trans | -72.6 | 91.1 | 161 | -69.7 | -168.1 | -0.7 | 0 | 0 | 108 | L157 Y161 | L157-Q159 PolarHBondContact O-N 3.16Å; Q159-Y161 WeakPolarHBondContact O-CD1 3.4Å; Q159-Y161 PolarHBondContact O-N 2.87Å | ||
| 160 | T | 36 | Very low | 40.1 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | trans | -79 | 103.2 | 168.9 | 41.8 | 0 | 0 | 0 | 0 | 107.4 | P158 | P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 2.84Å | ||
| 161 | Y | 31.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 105 Ų | 105 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | trans | -104.7 | 118.8 | 170.5 | 53.5 | -89.2 | 0 | 0 | 0 | 108.5 | F150 Q159 I163 | F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 AromaticContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CD2-CE2 3.9Å; F150-Y161 HydrophobicContact CG-CE2 4.33Å; Q159-Y161 WeakPolarHBondContact O-CD1 3.4Å; Q159-Y161 PolarHBondContact O-N 2.87Å; Y161-I163 HydrophobicContact CD2-CD1 4.11Å; Y161-I163 HydrophobicContact CD2-CG1 4Å; Y161-I163 HydrophobicContact CE2-CD1 4.13Å; Y161-I163 HydrophobicContact CE2-CG1 4.49Å | ||
| 162 | I | 36.7 | Very low | 42.4 | Very low | 52 Ų | 52 | 101.2 Ų | 101.2 | 27% | 0.267 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 116.7 | 176.2 | -64.7 | -178.8 | 0 | 0 | 0 | 106.5 | I147 Q164 | I147-I162 HydrophobicContact CB-CG2 4.4Å; I147-I162 HydrophobicContact CD1-CG2 4.44Å; I147-I162 HydrophobicContact CG1-CG2 4.21Å; I147-I162 HydrophobicContact CG2-CG2 3.41Å; I147-I162 VanDerWaalsContact CG2-CG2 3.41Å; I162-Q164 HydrophobicContact CG2-CG 4.33Å |
| 163 | I | 41.6 | Very low | 44 | Very low | 41 Ų | 41 | 92.5 Ų | 92.5 | 21% | 0.21 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113.3 | 172.9 | -53.8 | -177.4 | 0 | 0 | 0 | 107.3 | H148 F150 Y161 E165 | H148-I163 PolarHBondContact N-O 2.78Å; F150-I163 HydrophobicContact CD2-CD1 4.4Å; F150-I163 HydrophobicContact CE2-CD1 3.99Å; Y161-I163 HydrophobicContact CD2-CD1 4.11Å; Y161-I163 HydrophobicContact CD2-CG1 4Å; Y161-I163 HydrophobicContact CE2-CD1 4.13Å; Y161-I163 HydrophobicContact CE2-CG1 4.49Å; I163-E165 HydrophobicContact CG2-CG 3.94Å |
| 164 | Q | 40.9 | Very low | 45.5 | Very low | 42 Ų | 42 | 90.6 Ų | 90.6 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.2 | 172.3 | -72.5 | -175.3 | -64.2 | 0 | 0 | 109.5 | D145 I147 I162 | D145-Q164 PolarHBondContact OD2-NE2 3.36Å; I147-Q164 HydrophobicContact CD1-CG 4.25Å; I147-Q164 HydrophobicContact CG1-CG 3.84Å; I162-Q164 HydrophobicContact CG2-CG 4.33Å |
| 165 | E | 48.5 | Very low | 47.4 | Very low | 45 Ų | 45 | 92.3 Ų | 92.3 | 21% | 0.21 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113.4 | 173.5 | -52.1 | -149.6 | 147.6 | 0 | 0 | 110.3 | I146 I163 M167 R197 | I146-E165 PolarHBondContact N-O 3.42Å; I146-E165 PolarHBondContact O-N 2.92Å; I146-E165 VanDerWaalsContact O-N 3.13Å; I163-E165 HydrophobicContact CG2-CG 3.94Å; E165-M167 PolarHBondContact O-N 3.4Å; E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH1 2.78Å; E165-R197 PolarHBondContact OE1-NH1 3.47Å; E165-R197 IonicContact OE1-NH2 2.87Å; E165-R197 PolarHBondContact OE1-NH2 3.17Å; E165-R197 IonicContact OE2-CZ 3.92Å; E165-R197 IonicContact OE2-NH1 3.55Å; E165-R197 PolarHBondContact OE2-NH1 2.96Å; E165-R197 IonicContact OE2-NH2 3.12Å |
| 166 | E | 46.4 | Very low | 48.8 | Very low | 70 Ų | 70 | 87.6 Ų | 87.6 | 33% | 0.327 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.9 | 175.2 | -169.6 | -179 | 174.7 | 0 | 0 | 109.2 | R198 | E166-R198 HydrophobicContact CB-CB 4.21Å; E166-R198 HydrophobicContact CG-CB 4.02Å; E166-R198 PolarHBondContact O-N 2.84Å; E166-R198 WeakPolarHBondContact OE1-CD 3.34Å; E166-R198 IonicContact OE1-CZ 2.85Å; E166-R198 IonicContact OE1-NE 3.67Å; E166-R198 IonicContact OE1-NH1 3.66Å; E166-R198 PolarHBondContact OE1-NH1 3.24Å |
| 167 | M | 49.2 | Very low | 50.5 | Low | 43 Ų | 43 | 82.5 Ų | 82.5 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.8 | 178.6 | -62.9 | -63.9 | -82.7 | 0 | 0 | 110 | A144 I146 E165 L195 R197 | A144-M167 PolarHBondContact O-N 2.82Å; I146-M167 HydrophobicContact CD1-CB 4.48Å; I146-M167 HydrophobicContact CD1-CG 4.18Å; E165-M167 PolarHBondContact O-N 3.4Å; M167-L195 HydrophobicContact CE-CB 3.84Å; M167-R197 VanDerWaalsContact SD-CA 3.52Å; M167-R197 HydrophobicContact SD-CB 3.75Å; M167-R197 HydrophobicContact SD-CG 4.17Å |
| 168 | V | 50 | Low | 52.4 | Low | 47 Ų | 47 | 79.1 Ų | 79.1 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | T170 L195 R196 R198 | V168-T170 PolarHBondContact O-N 3.33Å; V168-L195 WeakPolarHBondContact O-CA 3.48Å; V168-R196 PolarHBondContact N-O 3.49Å; V168-R196 PolarHBondContact O-N 3.31Å; V168-R198 HydrophobicContact CG2-CB 3.85Å; V168-R198 HydrophobicContact CG2-CG 4.1Å |
| 169 | V | 53.9 | Low | 54 | Low | 74 Ų | 74 | 77.9 Ų | 77.9 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 119.4 | 171.2 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | Y193 L195 | V169-Y193 HydrophobicContact CG1-CD1 3.83Å; V169-Y193 HydrophobicContact CG1-CG 4.04Å; V169-L195 HydrophobicContact CB-CD2 4.33Å; V169-L195 HydrophobicContact CG2-CD2 3.55Å |
| 170 | T | 61.6 | Low | 55.9 | Low | 70 Ų | 70 | 71.5 Ų | 71.5 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -47.3 | -176.6 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | V168 R194 R196 | V168-T170 PolarHBondContact O-N 3.33Å; T170-R194 PolarHBondContact N-O 2.91Å; T170-R194 PolarHBondContact OG1-O 2.79Å; T170-R196 HydrophobicContact CG2-CB 3.28Å; T170-R196 HydrophobicContact CG2-CG 4.25Å |
| 171 | E | 54.4 | Low | 56.7 | Low | 96 Ų | 96 | 72.4 Ų | 72.4 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.2 | -172.9 | 56.9 | 179.6 | -173.8 | 0 | 0 | 111.2 | Y193 R194 | E171-Y193 CarbonylContact O-C 3.54Å; E171-Y193 WeakPolarHBondContact O-CA 3.47Å; E171-R194 HydrophobicContact CG-CB 3.47Å; E171-R194 VanDerWaalsContact CG-CB 3.47Å; E171-R194 HydrophobicContact CG-CG 4.23Å; E171-R194 PolarHBondContact O-N 3.47Å; E171-R194 WeakPolarHBondContact OE1-CD 3.17Å; E171-R194 IonicContact OE1-CZ 2.72Å; E171-R194 IonicContact OE1-NE 2.74Å; E171-R194 IonicContact OE1-NH1 3.02Å; E171-R194 PolarHBondContact OE1-NH1 2.85Å |
| 172 | H | 66.8 | Low | 57.8 | Low | 78 Ų | 78 | 75 Ų | 75 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.1 | 169 | -177.5 | -99.8 | 0 | 0 | 0 | 109.5 | R174 T192 Y193 | H172-R174 PolarHBondContact O-N 3.39Å; H172-T192 PolarHBondContact CD2-O 2.74Å; H172-Y193 HydrophobicContact CB-CD1 4Å; H172-Y193 HydrophobicContact CB-CE1 3.97Å; H172-Y193 AromaticContact CD2-CD1 3.83Å; H172-Y193 AromaticContact CD2-CE1 3.48Å; H172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; H172-Y193 WeakPolarHBondContact CD2-CE1 3.34Å; H172-Y193 AromaticContact CD2-CZ 3.68Å |
| 173 | V | 68 | Low | 58.5 | Low | 26 Ų | 26 | 76 Ų | 76 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | trans | -82.7 | 101.9 | -178.7 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | D175 K176 L179 T192 R194 | V173-D175 VanDerWaalsContact CG1-O 3.27Å; V173-D175 WeakPolarHBondContact CG1-O 3.45Å; V173-K176 HydrophobicContact CG1-CG 4.48Å; V173-L179 HydrophobicContact CG1-CD1 4.15Å; V173-T192 HydrophobicContact CB-CG2 4.1Å; V173-T192 HydrophobicContact CG2-CG2 4.32Å; V173-T192 PolarHBondContact N-O 3.49Å; V173-R194 HydrophobicContact CG2-CB 4.22Å | ||
| 174 | R | 67.7 | Low | 59.2 | Low | 225 Ų | 225 | 77.3 Ų | 77.3 | 85% | 0.849 | 40% | 0.4 | S | S | * | . | trans | -81.9 | -43.7 | -179.3 | -54.4 | -176.8 | -146.1 | 176.8 | 5.9 | 112 | H172 | H172-R174 PolarHBondContact O-N 3.39Š| ||
| 175 | D | 76.2 | Confident | 59.8 | Low | 93 Ų | 93 | 81.5 Ų | 81.5 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | trans | -94.6 | 105.9 | 177.9 | -176.6 | -24.8 | 0 | 0 | 0 | 108 | V173 E177 A178 | V173-D175 VanDerWaalsContact CG1-O 3.27Å; V173-D175 WeakPolarHBondContact CG1-O 3.45Å; D175-E177 WeakPolarHBondContact OD1-CB 3.17Å; D175-E177 PolarHBondContact OD1-N 2.8Å; D175-E177 VanDerWaalsContact OD1-N 3.11Å; D175-A178 PolarHBondContact OD1-N 3.01Å | ||
| 176 | K | 67.9 | Low | 60.1 | Low | 29 Ų | 29 | 84 Ų | 84 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | trans | -96.4 | -13.4 | -179 | -65.1 | 171.5 | -176.6 | 177.2 | 0 | 110.7 | V173 A178 L179 Y184 C187 K190 T192 | V173-K176 HydrophobicContact CG1-CG 4.48Å; K176-A178 VanDerWaalsContact C-N 3.29Å; K176-L179 WeakPolarHBondContact O-CB 3.31Å; K176-L179 PolarHBondContact O-N 2.84Å; K176-L179 VanDerWaalsContact O-N 3.16Å; K176-Y184 HydrophobicContact CB-CD2 3.89Å; K176-C187 HydrophobicContact CD-CB 4.24Å; K176-C187 PolarHBondContact NZ-O 2.88Å; K176-K190 PolarHBondContact NZ-O 2.89Å; K176-T192 WeakPolarHBondContact CE-OG1 3.05Å | ||
| 177 | E | 71.2 | Confident | 60.3 | Low | 112 Ų | 112 | 82 Ų | 82 | 52% | 0.523 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -66.9 | -36.1 | 178.3 | -63.1 | 75.2 | -173.5 | 0 | 0 | 110.1 | D175 L179 G180 Y184 | D175-E177 WeakPolarHBondContact OD1-CB 3.17Å; D175-E177 PolarHBondContact OD1-N 2.8Å; D175-E177 VanDerWaalsContact OD1-N 3.11Å; E177-L179 PolarHBondContact O-N 3.25Å; E177-L179 VanDerWaalsContact O-N 3.16Å; E177-G180 PolarHBondContact O-N 2.76Å; E177-G180 VanDerWaalsContact O-N 3.09Å; E177-Y184 HydrophobicContact CG-CD2 4.08Å; E177-Y184 HydrophobicContact CG-CE2 4.06Å; E177-Y184 WeakPolarHBondContact OE1-CE2 3.26Å |
| 178 | A | 70.3 | Confident | 61.1 | Low | 83 Ų | 83 | 84.3 Ų | 84.3 | 69% | 0.686 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -61.9 | -16.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D175 K176 G180 | D175-A178 PolarHBondContact OD1-N 3.01Å; K176-A178 VanDerWaalsContact C-N 3.29Å; A178-G180 VanDerWaalsContact C-N 3.29Å |
| 179 | L | 66.4 | Low | 61.9 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 38% | 0.382 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -84.9 | -4.1 | 177.1 | -55.9 | 176.1 | 0 | 0 | 0 | 112.9 | V173 K176 E177 I183 | V173-L179 HydrophobicContact CG1-CD1 4.15Å; K176-L179 WeakPolarHBondContact O-CB 3.31Å; K176-L179 PolarHBondContact O-N 2.84Å; K176-L179 VanDerWaalsContact O-N 3.16Å; E177-L179 PolarHBondContact O-N 3.25Å; E177-L179 VanDerWaalsContact O-N 3.16Å; L179-I183 HydrophobicContact CB-CB 3.95Å; L179-I183 HydrophobicContact CB-CD1 4.45Å; L179-I183 HydrophobicContact CB-CG2 3.75Å; L179-I183 HydrophobicContact CD1-CG2 3.87Å; L179-I183 HydrophobicContact CG-CG2 4.46Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å |
| 180 | G | 68.5 | Low | 62.3 | Low | 33 Ų | 33 | 88.2 Ų | 88.2 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | trans | 89.6 | 157.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E177 A178 F182 I183 Y184 | E177-G180 PolarHBondContact O-N 2.76Å; E177-G180 VanDerWaalsContact O-N 3.09Å; A178-G180 VanDerWaalsContact C-N 3.29Å; G180-F182 PolarHBondContact O-N 3.23Å; G180-I183 PolarHBondContact O-N 3.39Å; G180-Y184 WeakPolarHBondContact O-CB 3.23Å; G180-Y184 PolarHBondContact O-N 3.5Å | ||
| 181 | S | 53.3 | Low | 61.9 | Low | 85 Ų | 85 | 91 Ų | 91 | 59% | 0.594 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.2 | -41.6 | -168.5 | 170 | 0 | 0 | 0 | 0 | 113.7 | Y184 H185 | S181-Y184 PolarHBondContact O-N 3.02Å; S181-H185 PolarHBondContact O-CD2 3.47Å; S181-H185 PolarHBondContact O-N 3.37Å; S181-H185 VanDerWaalsContact O-N 3.09Å |
| 182 | F | 54.9 | Low | 62.1 | Low | 158 Ų | 158 | 87.6 Ų | 87.6 | 69% | 0.693 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | -179.6 | -176.8 | -104 | 0 | 0 | 0 | 112.4 | G180 H185 L186 | G180-F182 PolarHBondContact O-N 3.23Å; F182-H185 PolarHBondContact O-N 2.99Å; F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.34Å; F182-L186 HydrophobicContact CE2-CD1 4.41Å; F182-L186 HydrophobicContact CG-CD1 4.47Å; F182-L186 HydrophobicContact CZ-CD1 3.71Å; F182-L186 PolarHBondContact O-N 3.33Å |
| 183 | I | 51.5 | Low | 61.8 | Low | 74 Ų | 74 | 89.5 Ų | 89.5 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 179.6 | -58.7 | -175.4 | 0 | 0 | 0 | 110.1 | L179 G180 H185 L186 C187 | L179-I183 HydrophobicContact CB-CB 3.95Å; L179-I183 HydrophobicContact CB-CD1 4.45Å; L179-I183 HydrophobicContact CB-CG2 3.75Å; L179-I183 HydrophobicContact CD1-CG2 3.87Å; L179-I183 HydrophobicContact CG-CG2 4.46Å; L179-I183 WeakPolarHBondContact O-CD1 3.29Å; G180-I183 PolarHBondContact O-N 3.39Å; I183-H185 PolarHBondContact O-N 2.9Å; I183-L186 PolarHBondContact O-N 2.89Å; I183-C187 WeakPolarHBondContact O-CB 3.43Å; I183-C187 PolarHBondContact O-N 2.94Å |
| 184 | Y | 55.3 | Low | 61.1 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 26% | 0.263 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -53.5 | -50.8 | 173.5 | 173.2 | -98.2 | 0 | 0 | 0 | 111.8 | K176 E177 G180 S181 L186 C187 N188 | K176-Y184 HydrophobicContact CB-CD2 3.89Å; E177-Y184 HydrophobicContact CG-CD2 4.08Å; E177-Y184 HydrophobicContact CG-CE2 4.06Å; E177-Y184 WeakPolarHBondContact OE1-CE2 3.26Å; G180-Y184 WeakPolarHBondContact O-CB 3.23Å; G180-Y184 PolarHBondContact O-N 3.5Å; S181-Y184 PolarHBondContact O-N 3.02Å; Y184-L186 VanDerWaalsContact C-N 3.28Å; Y184-L186 PolarHBondContact O-N 3.27Å; Y184-C187 PolarHBondContact O-N 3.4Å; Y184-N188 VanDerWaalsContact O-CB 3.31Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.38Å |
| 185 | H | 54.7 | Low | 60.5 | Low | 130 Ų | 130 | 88.8 Ų | 88.8 | 60% | 0.602 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -33.2 | -180 | -74.1 | -58.8 | 0 | 0 | 0 | 113.5 | S181 F182 I183 | S181-H185 PolarHBondContact O-CD2 3.47Å; S181-H185 PolarHBondContact O-N 3.37Å; S181-H185 VanDerWaalsContact O-N 3.09Å; F182-H185 PolarHBondContact O-N 2.99Å; I183-H185 PolarHBondContact O-N 2.9Å |
| 186 | L | 54.4 | Low | 59.3 | Low | 98 Ų | 98 | 92.9 Ų | 92.9 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.8 | -37.8 | 177.6 | -75.4 | 166.3 | 0 | 0 | 0 | 113.3 | F182 I183 Y184 | F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.34Å; F182-L186 HydrophobicContact CE2-CD1 4.41Å; F182-L186 HydrophobicContact CG-CD1 4.47Å; F182-L186 HydrophobicContact CZ-CD1 3.71Å; F182-L186 PolarHBondContact O-N 3.33Å; I183-L186 PolarHBondContact O-N 2.89Å; Y184-L186 VanDerWaalsContact C-N 3.28Å; Y184-L186 PolarHBondContact O-N 3.27Å |
| 187 | C | 50.3 | Low | 58.5 | Low | 28 Ų | 28 | 95.5 Ų | 95.5 | 19% | 0.189 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -92.3 | -1.8 | -177.5 | -66.5 | 0 | 0 | 0 | 0 | 113 | K176 I183 Y184 G189 K190 | K176-C187 HydrophobicContact CD-CB 4.24Å; K176-C187 PolarHBondContact NZ-O 2.88Å; I183-C187 WeakPolarHBondContact O-CB 3.43Å; I183-C187 PolarHBondContact O-N 2.94Å; Y184-C187 PolarHBondContact O-N 3.4Å; C187-G189 PolarHBondContact O-N 2.99Å; C187-K190 PolarHBondContact O-N 3.31Å |
| 188 | N | 66 | Low | 57.4 | Low | 92 Ų | 92 | 96.9 Ų | 96.9 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 130.2 | 178 | -163 | 10.8 | 0 | 0 | 0 | 110.3 | Y184 K190 | Y184-N188 VanDerWaalsContact O-CB 3.31Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.38Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 2.92Å |
| 189 | G | 66.2 | Low | 56.4 | Low | 76 Ų | 76 | 97 Ų | 97 | 78% | 0.784 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 9.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C187 | C187-G189 PolarHBondContact O-N 2.99Š|
| 190 | K | 62.4 | Low | 55.4 | Low | 126 Ų | 126 | 100 Ų | 100 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -116.7 | 139.9 | 178.2 | -55.1 | -173.8 | -176.6 | -167 | 0 | 112.1 | K176 C187 N188 T192 | K176-K190 PolarHBondContact NZ-O 2.89Å; C187-K190 PolarHBondContact O-N 3.31Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 2.92Å; K190-T192 PolarHBondContact O-N 3.41Å; K190-T192 PolarHBondContact O-OG1 3.05Å; K190-T192 VanDerWaalsContact O-OG1 3.11Å |
| 191 | D | 53.3 | Low | 54.2 | Low | 130 Ų | 130 | 108.6 Ų | 108.6 | 70% | 0.695 | 53% | 0.53 | S | S | * | . | trans | -64.3 | 124.7 | 171.3 | -62.8 | -31.6 | 0 | 0 | 0 | 109.2 | Y193 | D191-Y193 HydrophobicContact CB-CE2 3.68Š| ||
| 192 | T | 58.7 | Low | 53.7 | Low | 23 Ų | 23 | 113 Ų | 113 | 14% | 0.141 | 53% | 0.534 | C | S | . | . | trans | -124 | 128.1 | -172.6 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | H172 V173 K176 K190 | H172-T192 PolarHBondContact CD2-O 2.74Å; V173-T192 HydrophobicContact CB-CG2 4.1Å; V173-T192 HydrophobicContact CG2-CG2 4.32Å; V173-T192 PolarHBondContact N-O 3.49Å; K176-T192 WeakPolarHBondContact CE-OG1 3.05Å; K190-T192 PolarHBondContact O-N 3.41Å; K190-T192 PolarHBondContact O-OG1 3.05Å; K190-T192 VanDerWaalsContact O-OG1 3.11Å | ||
| 193 | Y | 60.7 | Low | 53 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.7 | -176.1 | -60.3 | -90.5 | 0 | 0 | 0 | 110.5 | V169 E171 H172 D191 | V169-Y193 HydrophobicContact CG1-CD1 3.83Å; V169-Y193 HydrophobicContact CG1-CG 4.04Å; E171-Y193 CarbonylContact O-C 3.54Å; E171-Y193 WeakPolarHBondContact O-CA 3.47Å; H172-Y193 HydrophobicContact CB-CD1 4Å; H172-Y193 HydrophobicContact CB-CE1 3.97Å; H172-Y193 AromaticContact CD2-CD1 3.83Å; H172-Y193 AromaticContact CD2-CE1 3.48Å; H172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; H172-Y193 WeakPolarHBondContact CD2-CE1 3.34Å; H172-Y193 AromaticContact CD2-CZ 3.68Å; D191-Y193 HydrophobicContact CB-CE2 3.68Å |
| 194 | R | 54.5 | Low | 52.3 | Low | 147 Ų | 147 | 117.3 Ų | 117.3 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.5 | 172.1 | -169.7 | 173.2 | -167.4 | 150.1 | 6.7 | 109.3 | T170 E171 V173 | T170-R194 PolarHBondContact N-O 2.91Å; T170-R194 PolarHBondContact OG1-O 2.79Å; E171-R194 HydrophobicContact CG-CB 3.47Å; E171-R194 VanDerWaalsContact CG-CB 3.47Å; E171-R194 HydrophobicContact CG-CG 4.23Å; E171-R194 PolarHBondContact O-N 3.47Å; E171-R194 WeakPolarHBondContact OE1-CD 3.17Å; E171-R194 IonicContact OE1-CZ 2.72Å; E171-R194 IonicContact OE1-NE 2.74Å; E171-R194 IonicContact OE1-NH1 3.02Å; E171-R194 PolarHBondContact OE1-NH1 2.85Å; V173-R194 HydrophobicContact CG2-CB 4.22Å |
| 195 | L | 53.8 | Low | 51.6 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.7 | 173.1 | -57.4 | 177.6 | 0 | 0 | 0 | 109 | M167 V168 V169 | M167-L195 HydrophobicContact CE-CB 3.84Å; V168-L195 WeakPolarHBondContact O-CA 3.48Å; V169-L195 HydrophobicContact CB-CD2 4.33Å; V169-L195 HydrophobicContact CG2-CD2 3.55Å |
| 196 | R | 50.9 | Low | 50.5 | Low | 180 Ų | 180 | 122.1 Ų | 122.1 | 68% | 0.679 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.7 | 173.3 | -172.3 | 179.2 | 172.7 | 152 | -0.3 | 109.6 | V168 T170 | V168-R196 PolarHBondContact N-O 3.49Å; V168-R196 PolarHBondContact O-N 3.31Å; T170-R196 HydrophobicContact CG2-CB 3.28Å; T170-R196 HydrophobicContact CG2-CG 4.25Å |
| 197 | R | 52.4 | Low | 49.8 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 31% | 0.313 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.1 | 177.3 | -167.3 | 177.6 | -178.5 | 147.1 | 13 | 112.1 | E165 M167 S199 | E165-R197 IonicContact OE1-CZ 3.7Å; E165-R197 IonicContact OE1-NH1 2.78Å; E165-R197 PolarHBondContact OE1-NH1 3.47Å; E165-R197 IonicContact OE1-NH2 2.87Å; E165-R197 PolarHBondContact OE1-NH2 3.17Å; E165-R197 IonicContact OE2-CZ 3.92Å; E165-R197 IonicContact OE2-NH1 3.55Å; E165-R197 PolarHBondContact OE2-NH1 2.96Å; E165-R197 IonicContact OE2-NH2 3.12Å; M167-R197 VanDerWaalsContact SD-CA 3.52Å; M167-R197 HydrophobicContact SD-CB 3.75Å; M167-R197 HydrophobicContact SD-CG 4.17Å; R197-S199 PolarHBondContact O-N 3.24Å |
| 198 | R | 47.7 | Very low | 49.3 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 54% | 0.536 | 62% | 0.616 | S | S | . | * | trans | -87.3 | 86 | 175.1 | -158.5 | -173.4 | -165.2 | -179.4 | 2.5 | 110.6 | E166 V168 | E166-R198 HydrophobicContact CB-CB 4.21Å; E166-R198 HydrophobicContact CG-CB 4.02Å; E166-R198 PolarHBondContact O-N 2.84Å; E166-R198 WeakPolarHBondContact OE1-CD 3.34Å; E166-R198 IonicContact OE1-CZ 2.85Å; E166-R198 IonicContact OE1-NE 3.67Å; E166-R198 IonicContact OE1-NH1 3.66Å; E166-R198 PolarHBondContact OE1-NH1 3.24Å; V168-R198 HydrophobicContact CG2-CB 3.85Å; V168-R198 HydrophobicContact CG2-CG 4.1Å | ||
| 199 | S | 49 | Very low | 48.2 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | trans | 64.4 | 149.9 | 174.2 | 83.4 | 0 | 0 | 0 | 0 | 116.5 | R197 R201 | R197-S199 PolarHBondContact O-N 3.24Å; S199-R201 VanDerWaalsContact C-N 3.25Å; S199-R201 PolarHBondContact O-N 3.04Å; S199-R201 VanDerWaalsContact O-N 3.12Å | ||
| 200 | T | 45.2 | Very low | 47.6 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -78.9 | 17.8 | -168 | 43.4 | 0 | 0 | 0 | 0 | 115.3 | R202 | T200-R202 PolarHBondContact O-N 3.44Š|
| 201 | R | 42.4 | Very low | 47.1 | Very low | 214 Ų | 214 | 132.8 Ų | 132.8 | 81% | 0.808 | 64% | 0.635 | S | S | * | * | trans | -93 | 93.4 | 178.9 | -77 | -170.8 | 176 | -167.2 | -0.4 | 110.7 | S199 R203 | S199-R201 VanDerWaalsContact C-N 3.25Å; S199-R201 PolarHBondContact O-N 3.04Å; S199-R201 VanDerWaalsContact O-N 3.12Å; R201-R203 PolarHBondContact O-N 3.48Å | ||
| 202 | R | 43.1 | Very low | 46.9 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | trans | -54.9 | 106.1 | 164 | -66.4 | -179.3 | -176.3 | -177.4 | 0.7 | 108.3 | T200 | T200-R202 PolarHBondContact O-N 3.44Š| ||
| 203 | R | 40.1 | Very low | 46.3 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | B | Isolated β-bridge | trans | -92.1 | 120.7 | 169 | -83.9 | -172.9 | 168.3 | -164.3 | -2.4 | 108 | R201 | R201-R203 PolarHBondContact O-N 3.48Å |
| 204 | I | 37.5 | Very low | 45.6 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | trans | -99.7 | 106.4 | 173.2 | -58.7 | 171 | 0 | 0 | 0 | 105.5 | ||||
| 205 | N | 39.9 | Very low | 45 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | trans | -113.2 | 143.4 | 175.8 | -81.6 | -44.5 | 0 | 0 | 0 | 111.3 | ||||
| 206 | K | 32.3 | Very low | 44.5 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 87% | 0.865 | 63% | 0.631 | S | S | * | * | trans | -97.1 | 126.8 | -179.8 | -161.5 | 178.5 | -176.7 | -177.7 | 0 | 110.3 | ||||
| 207 | R | 38.8 | Very low | 44.1 | Very low | 216 Ų | 216 | 123.6 Ų | 123.6 | 82% | 0.815 | 62% | 0.615 | S | S | * | * | trans | 10.4 | 115.4 | 169.1 | -88.4 | -180 | -98.9 | -140.1 | -7.9 | 118.9 | ||||
| 208 | G | 40.2 | Very low | 43.6 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | -157.8 | 111.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 209 | G | 44.2 | Very low | 43.1 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 90% | 0.897 | 62% | 0.623 | S | S | * | * | trans | -64.6 | 129.1 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 210 | K | 53.3 | Low | 42.7 | Very low | 102 Ų | 102 | 126 Ų | 126 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | trans | -103.9 | 160.8 | 155.6 | -63.5 | -167.4 | -179.5 | -168.2 | 0 | 107.6 | C212 C229 G230 V232 | K210-C212 PolarHBondContact O-N 3.34Å; K210-C212 PolarHBondContact O-SG 3.05Å; K210-C229 HydrophobicContact CB-CB 4.29Å; K210-G230 VanDerWaalsContact CD-O 3.26Å; K210-G230 WeakPolarHBondContact CD-O 3.2Å; K210-V232 PolarHBondContact NZ-O 3.15Å | ||
| 211 | N | 50.3 | Low | 42.1 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 89% | 0.888 | 61% | 0.611 | S | S | * | * | trans | -64.2 | 104.6 | 172.4 | -73.9 | -18.8 | 0 | 0 | 0 | 108.2 | ||||
| 212 | C | 50 | Low | 41.7 | Very low | 43 Ų | 43 | 117.1 Ų | 117.1 | 29% | 0.291 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.6 | -176.1 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | K210 L227 I228 C229 | K210-C212 PolarHBondContact O-N 3.34Å; K210-C212 PolarHBondContact O-SG 3.05Å; C212-L227 HydrophobicContact CB-CB 4.42Å; C212-I228 CarbonylContact C-O 3.46Å; C212-I228 WeakPolarHBondContact CA-O 3.45Å; C212-I228 WeakPolarHBondContact CB-O 3.21Å; C212-C229 HydrophobicContact CB-CB 3.99Å; C212-C229 WeakPolarHBondContact CB-SG 3.49Å; C212-C229 WeakPolarHBondContact SG-CB 3.01Å; C212-C229 CovalentContact SG-SG 2.02Å; C212-C229 PolarHBondContact SG-SG 2.81Å |
| 213 | N | 46.7 | Very low | 41.4 | Very low | 129 Ų | 129 | 112.9 Ų | 112.9 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.3 | 170.2 | -73.3 | -28.9 | 0 | 0 | 0 | 109.1 | I228 | N213-I228 PolarHBondContact N-O 3.34Å; N213-I228 PolarHBondContact O-N 3.23Å |
| 214 | A | 45.7 | Very low | 41.6 | Very low | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 130 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E225 L227 | A214-E225 HydrophobicContact CB-CG 4.31Å; A214-L227 HydrophobicContact CB-CD2 3.65Å |
| 215 | I | 41.6 | Very low | 41.8 | Very low | 34 Ų | 34 | 100.3 Ų | 100.3 | 17% | 0.174 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.6 | 175.6 | -59.5 | 167.5 | 0 | 0 | 0 | 107.6 | V133 T226 I228 | V133-I215 HydrophobicContact CB-CD1 4.41Å; V133-I215 HydrophobicContact CG1-CD1 3.67Å; V133-I215 HydrophobicContact CG1-CG1 4.42Å; V133-I215 HydrophobicContact CG2-CD1 3.95Å; V133-I215 HydrophobicContact CG2-CG1 4.14Å; V133-I215 HydrophobicContact CG2-CG2 4.11Å; I215-T226 PolarHBondContact N-O 2.94Å; I215-T226 PolarHBondContact O-N 2.83Å; I215-I228 HydrophobicContact CD1-CD1 3.35Å; I215-I228 HydrophobicContact CD1-CG1 3.99Å |
| 216 | R | 43.9 | Very low | 42.2 | Very low | 160 Ų | 160 | 95.9 Ų | 95.9 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.8 | 174.7 | -66.9 | -179.6 | -176.3 | 173.7 | -0.6 | 109 | V223 V224 E225 | R216-V223 HydrophobicContact CB-CG1 4.07Å; R216-V223 HydrophobicContact CG-CG1 4.46Å; R216-V224 WeakPolarHBondContact CA-O 3.2Å; R216-E225 HydrophobicContact CG-CB 4.3Å; R216-E225 HydrophobicContact CG-CG 4.14Å; R216-E225 IonicContact CZ-OE1 2.87Å; R216-E225 IonicContact NE-OE1 3.17Å; R216-E225 PolarHBondContact NE-OE1 3.41Å; R216-E225 IonicContact NH2-OE1 2.74Å; R216-E225 PolarHBondContact NH2-OE1 2.9Å |
| 217 | H | 42.8 | Very low | 43 | Very low | 71 Ų | 71 | 89.1 Ų | 89.1 | 33% | 0.329 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 164.3 | -179.6 | 73.7 | -64.4 | 0 | 0 | 0 | 110.7 | V224 T226 | H217-V224 PolarHBondContact N-O 3.2Å; H217-V224 PolarHBondContact O-N 3.03Å; H217-V224 VanDerWaalsContact O-O 3.12Å; H217-T226 PolarHBondContact CE1-OG1 2.96Å |
| 218 | F | 41.8 | Very low | 43.5 | Very low | 143 Ų | 143 | 81.8 Ų | 81.8 | 63% | 0.627 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 109.6 | -179.3 | -72.5 | -85.6 | 0 | 0 | 0 | 109.7 | N220 F222 V223 | F218-N220 VanDerWaalsContact C-N 3.3Å; F218-N220 PolarHBondContact O-N 2.88Å; F218-F222 WeakPolarHBondContact CD1-O 3.45Å; F218-V223 HydrophobicContact CD1-CG2 4.18Å; F218-V223 HydrophobicContact CE1-CB 4.33Å; F218-V223 HydrophobicContact CE1-CG2 3.35Å; F218-V223 HydrophobicContact CE2-CG2 4.21Å; F218-V223 HydrophobicContact CZ-CG2 3.38Å |
| 219 | E | 35.5 | Very low | 44 | Very low | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -96.8 | 61.2 | 168.9 | -165.9 | -174.9 | -173.5 | 0 | 0 | 108.3 | H148 V224 | H148-E219 IonicContact CE1-OE1 3.48Å; H148-E219 IonicContact CE1-OE2 3.81Å; H148-E219 PolarHBondContact CE1-OE2 2.75Å; H148-E219 IonicContact ND1-OE1 3.61Å; H148-E219 IonicContact ND1-OE2 2.99Å; H148-E219 PolarHBondContact ND1-OE2 3.34Å; E219-V224 HydrophobicContact CB-CG2 3.94Å |
| 220 | N | 41.2 | Very low | 44 | Very low | 131 Ų | 131 | 77.9 Ų | 77.9 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 106 | -116.3 | -173.6 | -156.6 | 14.2 | 0 | 0 | 0 | 114 | F218 | F218-N220 VanDerWaalsContact C-N 3.3Å; F218-N220 PolarHBondContact O-N 2.88Å |
| 221 | T | 31.8 | Very low | 43.7 | Very low | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -103.1 | 0 | -171.4 | 53.7 | 0 | 0 | 0 | 0 | 115.3 | V120 | V120-T221 HydrophobicContact CG1-CG2 4.41Š|
| 222 | F | 34.5 | Very low | 43.2 | Very low | 86 Ų | 86 | 78.7 Ų | 78.7 | 38% | 0.377 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -125.6 | 146.5 | -178.2 | 48.8 | -84.8 | 0 | 0 | 0 | 110.8 | F150 F218 V224 | F150-F222 AromaticContact CD1-CE2 3.94Å; F150-F222 HydrophobicContact CD1-CE2 3.94Å; F150-F222 AromaticContact CE1-CE2 3.61Å; F150-F222 HydrophobicContact CE1-CE2 3.61Å; F150-F222 AromaticContact CE1-CZ 3.98Å; F150-F222 HydrophobicContact CE1-CZ 3.98Å; F218-F222 WeakPolarHBondContact CD1-O 3.45Å; F222-V224 HydrophobicContact CD2-CG2 3.31Å; F222-V224 HydrophobicContact CE2-CG2 3.2Å; F222-V224 HydrophobicContact CZ-CG2 4.37Å; F222-V224 PolarHBondContact O-N 2.97Å |
| 223 | V | 37.8 | Very low | 42.9 | Very low | 89 Ų | 89 | 80.5 Ų | 80.5 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 113.7 | 173 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | R216 F218 | R216-V223 HydrophobicContact CB-CG1 4.07Å; R216-V223 HydrophobicContact CG-CG1 4.46Å; F218-V223 HydrophobicContact CD1-CG2 4.18Å; F218-V223 HydrophobicContact CE1-CB 4.33Å; F218-V223 HydrophobicContact CE1-CG2 3.35Å; F218-V223 HydrophobicContact CE2-CG2 4.21Å; F218-V223 HydrophobicContact CZ-CG2 3.38Å |
| 224 | V | 43.5 | Very low | 42.6 | Very low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.9 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | H148 R216 H217 E219 F222 | H148-V224 HydrophobicContact CB-CG1 4.5Å; R216-V224 WeakPolarHBondContact CA-O 3.2Å; H217-V224 PolarHBondContact N-O 3.2Å; H217-V224 PolarHBondContact O-N 3.03Å; H217-V224 VanDerWaalsContact O-O 3.12Å; E219-V224 HydrophobicContact CB-CG2 3.94Å; F222-V224 HydrophobicContact CD2-CG2 3.31Å; F222-V224 HydrophobicContact CE2-CG2 3.2Å; F222-V224 HydrophobicContact CZ-CG2 4.37Å; F222-V224 PolarHBondContact O-N 2.97Å |
| 225 | E | 42.6 | Very low | 42.5 | Very low | 56 Ų | 56 | 79.1 Ų | 79.1 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117.5 | 168.8 | -169.6 | 161.7 | -124.5 | 0 | 0 | 108.3 | D149 A214 R216 | D149-E225 PolarHBondContact N-O 3.44Å; A214-E225 HydrophobicContact CB-CG 4.31Å; R216-E225 HydrophobicContact CG-CB 4.3Å; R216-E225 HydrophobicContact CG-CG 4.14Å; R216-E225 IonicContact CZ-OE1 2.87Å; R216-E225 IonicContact NE-OE1 3.17Å; R216-E225 PolarHBondContact NE-OE1 3.41Å; R216-E225 IonicContact NH2-OE1 2.74Å; R216-E225 PolarHBondContact NH2-OE1 2.9Å |
| 226 | T | 48.7 | Very low | 42.5 | Very low | 7 Ų | 7 | 81.7 Ų | 81.7 | 4% | 0.043 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.9 | 176.2 | -74.3 | 0 | 0 | 0 | 0 | 109.4 | I146 I147 I215 H217 I228 | I146-T226 HydrophobicContact CG2-CG2 3.74Å; I147-T226 VanDerWaalsContact O-CA 3.22Å; I147-T226 WeakPolarHBondContact O-CA 3.42Å; I147-T226 WeakPolarHBondContact O-CB 3.48Å; I147-T226 WeakPolarHBondContact O-CG2 3.31Å; I147-T226 PolarHBondContact O-OG1 3.44Å; I215-T226 PolarHBondContact N-O 2.94Å; I215-T226 PolarHBondContact O-N 2.83Å; H217-T226 PolarHBondContact CE1-OG1 2.96Å; T226-I228 HydrophobicContact CG2-CG1 4.48Å |
| 227 | L | 48.1 | Very low | 42.4 | Very low | 56 Ų | 56 | 76.8 Ų | 76.8 | 29% | 0.293 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.2 | 177.1 | -62.6 | 174.6 | 0 | 0 | 0 | 108.9 | C212 A214 | C212-L227 HydrophobicContact CB-CB 4.42Å; A214-L227 HydrophobicContact CB-CD2 3.65Å |
| 228 | I | 48.7 | Very low | 42.4 | Very low | 62 Ų | 62 | 77.2 Ų | 77.2 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.3 | 170.8 | -57.7 | -171.2 | 0 | 0 | 0 | 108.1 | C212 N213 I215 T226 | C212-I228 CarbonylContact C-O 3.46Å; C212-I228 WeakPolarHBondContact CA-O 3.45Å; C212-I228 WeakPolarHBondContact CB-O 3.21Å; N213-I228 PolarHBondContact N-O 3.34Å; N213-I228 PolarHBondContact O-N 3.23Å; I215-I228 HydrophobicContact CD1-CD1 3.35Å; I215-I228 HydrophobicContact CD1-CG1 3.99Å; T226-I228 HydrophobicContact CG2-CG1 4.48Å |
| 229 | C | 52.1 | Low | 42.5 | Very low | 32 Ų | 32 | 72.5 Ų | 72.5 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.9 | -179 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | K210 C212 | K210-C229 HydrophobicContact CB-CB 4.29Å; C212-C229 HydrophobicContact CB-CB 3.99Å; C212-C229 WeakPolarHBondContact CB-SG 3.49Å; C212-C229 WeakPolarHBondContact SG-CB 3.01Å; C212-C229 CovalentContact SG-SG 2.02Å; C212-C229 PolarHBondContact SG-SG 2.81Å |
| 230 | G | 43.4 | Very low | 43 | Very low | 46 Ų | 46 | 71.4 Ų | 71.4 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | trans | -67.6 | 136.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K210 V232 | K210-G230 VanDerWaalsContact CD-O 3.26Å; K210-G230 WeakPolarHBondContact CD-O 3.2Å; G230-V232 PolarHBondContact O-N 3.21Å | ||
| 231 | V | 46.4 | Very low | 43.2 | Very low | 104 Ų | 104 | 66.4 Ų | 66.4 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | trans | -83.6 | 101.1 | 169.8 | -171.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 232 | V | 40.4 | Very low | 44.2 | Very low | 181 Ų | 181 | 65.5 Ų | 65.5 | 100% | 1.097 | 39% | 0.387 | S | S | * | . | trans | -71.8 | 0 | 151.5 | -166.9 | 0 | 0 | 0 | 0 | 107.8 | K210 G230 | K210-V232 PolarHBondContact NZ-O 3.15Å; G230-V232 PolarHBondContact O-N 3.21Å |
Retrieved 232 of 232 residues in 240.1 ms
(Link to these results)