| 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 | 37.2 | Very low | 37.7 | Very low | 227 Ų | 227 | 137.2 Ų | 137.2 | 100% | 1.118 | 85% | 0.851 | S | S | * | * | 0 | 102.2 | 0 | -77.1 | 153.5 | 165.2 | 0 | 0 | 107.4 | |||||
| 2 | D | 37.9 | Very low | 38 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 86% | 0.858 | S | S | * | * | trans | 63.9 | 99.3 | 137.5 | -40.3 | -37.5 | 0 | 0 | 0 | 122.1 | ||||
| 3 | N | 42.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 86% | 0.857 | S | S | * | * | 44.8 | 134.1 | 114 | -132.9 | -11 | 0 | 0 | 0 | 123.9 | |||||
| 4 | N | 42.6 | Very low | 38.4 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 85% | 0.853 | S | S | * | * | trans | 99.3 | 111.8 | 141.3 | -154.7 | 14.1 | 0 | 0 | 0 | 121 | ||||
| 5 | S | 40.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 86% | 0.864 | S | S | * | * | -164.4 | 103.3 | 127.8 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 6 | Q | 39 | Very low | 39.8 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | 44.8 | 98.3 | 130 | -148.3 | 162.1 | 88 | 0 | 0 | 121.3 | |||||
| 7 | G | 32.6 | Very low | 40.2 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | 61.6 | 91.1 | 115.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 8 | S | 34.4 | Very low | 41.1 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 86% | 0.858 | S | S | * | * | trans | -100.5 | 106.1 | 162.7 | 163.7 | 0 | 0 | 0 | 0 | 110.5 | G10 | S8-G10 PolarHBondContact O-N 3.42Š| ||
| 9 | G | 34.5 | Very low | 41.6 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 86% | 0.861 | S | S | * | * | trans | -84.2 | 103.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | G | 36.8 | Very low | 41.4 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 86% | 0.859 | S | S | * | * | trans | -90.8 | 120.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S8 | S8-G10 PolarHBondContact O-N 3.42Š| ||
| 11 | L | 36.9 | Very low | 41.4 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 95% | 0.948 | 86% | 0.857 | S | S | * | * | trans | -77 | 117.6 | 167.6 | -97.4 | 80 | 0 | 0 | 0 | 109.8 | ||||
| 12 | K | 41.4 | Very low | 41.6 | Very low | 214 Ų | 214 | 125.1 Ų | 125.1 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | trans | -150.6 | 122.8 | 166.7 | -151.9 | -179 | -175.9 | -173.8 | 0 | 111.1 | ||||
| 13 | G | 40.9 | Very low | 41.8 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | 113.1 | 132.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | G | 40.7 | Very low | 41.7 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | cis | -170.8 | 137.2 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G16 | G14-G16 PolarHBondContact O-N 3.01Š| ||
| 15 | L | 50.3 | Low | 42 | Very low | 196 Ų | 196 | 117.3 Ų | 117.3 | 100% | 1.026 | 85% | 0.845 | S | S | * | * | trans | -77.1 | 104.1 | 166.9 | -86.7 | 142.2 | 0 | 0 | 0 | 107.8 | ||||
| 16 | G | 48.4 | Very low | 42 | Very low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | trans | -168.8 | 68.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G14 | G14-G16 PolarHBondContact O-N 3.01Š| ||
| 17 | G | 46.1 | Very low | 42.2 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | trans | -160.4 | 28.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 18 | L | 56.2 | Low | 42.6 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -107.5 | -7.4 | -176.6 | -149.2 | 75.8 | 0 | 0 | 0 | 115.1 | ||
| 19 | F | 50.7 | Low | 43.2 | Very low | 209 Ų | 209 | 124.7 Ų | 124.7 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | trans | -151.3 | 98.2 | 172.6 | -89.8 | -86.9 | 0 | 0 | 0 | 109.7 | ||||
| 20 | G | 38.1 | Very low | 44 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -129.4 | 93.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 21 | G | 40.8 | Very low | 44.7 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | -64.1 | 141.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 22 | G | 41.5 | Very low | 45.4 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | trans | -66.5 | 135.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 23 | G | 42.9 | Very low | 46 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -157 | 91.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 24 | A | 41.2 | Very low | 46.5 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -167.7 | 151.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 25 | P | 47.8 | Very low | 46.9 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | cis | -128.3 | 157.2 | 1.3 | 37.7 | -21 | 0 | 0 | 0 | 113.7 | Y27 | P25-Y27 HydrophobicContact CB-CD2 4.1Å; P25-Y27 HydrophobicContact CB-CE2 4.02Å | ||
| 26 | E | 40.8 | Very low | 46.6 | Very low | 196 Ų | 196 | 122.2 Ų | 122.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -117.1 | 108.8 | 166 | -115.1 | 177.8 | 128.7 | 0 | 0 | 109.3 | ||||
| 27 | Y | 42.5 | Very low | 46.7 | Very low | 199 Ų | 199 | 124.4 Ų | 124.4 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -121.2 | 102.5 | 166.9 | -69.3 | -76 | 0 | 0 | 0 | 108 | P25 N29 | P25-Y27 HydrophobicContact CB-CD2 4.1Å; P25-Y27 HydrophobicContact CB-CE2 4.02Å; Y27-N29 PolarHBondContact O-N 3.12Å; Y27-N29 PolarHBondContact O-ND2 3.31Å | ||
| 28 | S | 41.5 | Very low | 46.8 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -78.6 | 112.1 | 176.2 | -147 | 0 | 0 | 0 | 0 | 109.2 | S30 | S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact OG-OG 3.48Å; S28-S30 VanDerWaalsContact OG-OG 3.11Å | ||
| 29 | N | 47.4 | Very low | 46.7 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -97.1 | 32.8 | 178 | -64.9 | -79 | 0 | 0 | 0 | 112 | Y27 | Y27-N29 PolarHBondContact O-N 3.12Å; Y27-N29 PolarHBondContact O-ND2 3.31Å | ||
| 30 | S | 51.8 | Low | 46.7 | Very low | 90 Ų | 90 | 121 Ų | 121 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -100.5 | -6 | -170.8 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | S28 | S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact OG-OG 3.48Å; S28-S30 VanDerWaalsContact OG-OG 3.11Å |
| 31 | E | 50.8 | Low | 47.6 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -143.8 | 84.6 | -175.3 | -66.2 | -166.9 | 116.2 | 0 | 0 | 112.4 | ||||
| 32 | L | 51 | Low | 48.1 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -145.6 | 100.3 | 153.7 | -145.1 | 68.9 | 0 | 0 | 0 | 109.5 | ||
| 33 | A | 53.8 | Low | 48.7 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 84.8 | 64.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | V35 | A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.23Å |
| 34 | G | 52.2 | Low | 49.1 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 92% | 0.918 | 76% | 0.76 | S | S | * | * | S | Bend | 53.3 | 16.8 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||
| 35 | V | 49.4 | Very low | 49.8 | Very low | 102 Ų | 102 | 126 Ų | 126 | 62% | 0.618 | 76% | 0.759 | S | S | * | * | trans | -137 | 127.1 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 109 | A33 L37 | A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.23Å; V35-L37 HydrophobicContact CB-CD1 4.33Å; V35-L37 HydrophobicContact CG1-CD1 4.25Å; V35-L37 PolarHBondContact O-N 3.21Å | ||
| 36 | P | 43.3 | Very low | 49.8 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -74.1 | 97.2 | 179.7 | 29.3 | -31.4 | 0 | 0 | 0 | 110 | T38 | P36-T38 PolarHBondContact O-N 3.46Š| ||
| 37 | L | 50.1 | Low | 50.5 | Low | 128 Ų | 128 | 127.8 Ų | 127.8 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | -86.2 | 79.6 | 169.6 | -87.3 | 103.7 | 0 | 0 | 0 | 110.4 | V35 G39 M40 | V35-L37 HydrophobicContact CB-CD1 4.33Å; V35-L37 HydrophobicContact CG1-CD1 4.25Å; V35-L37 PolarHBondContact O-N 3.21Å; L37-G39 PolarHBondContact O-N 3.19Å; L37-G39 VanDerWaalsContact O-N 3.15Å; L37-M40 WeakPolarHBondContact CD2-O 3.5Å | ||
| 38 | T | 49.8 | Very low | 51.1 | Low | 138 Ų | 138 | 126.3 Ų | 126.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 104 | 157.9 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | P36 | P36-T38 PolarHBondContact O-N 3.46Š| ||
| 39 | G | 54.2 | Low | 51.8 | Low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 96.1 | 25.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | L37 | L37-G39 PolarHBondContact O-N 3.19Å; L37-G39 VanDerWaalsContact O-N 3.15Å |
| 40 | M | 50.6 | Low | 52.1 | Low | 158 Ų | 158 | 120.8 Ų | 120.8 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | -152.1 | 103.2 | 169 | -132.8 | 162.5 | -173.7 | 0 | 0 | 112.9 | L37 | L37-M40 WeakPolarHBondContact CD2-O 3.5Š| ||
| 41 | S | 55.6 | Low | 52.2 | Low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -66.3 | 131.3 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | L43 | S41-L43 PolarHBondContact O-N 3.49Š| ||
| 42 | P | 51.4 | Low | 52.3 | Low | 128 Ų | 128 | 120.4 Ų | 120.4 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | -73.8 | 99 | 175.5 | 29.1 | -31.5 | 0 | 0 | 0 | 109.4 | S44 | P42-S44 PolarHBondContact O-N 3.35Š| ||
| 43 | L | 55.1 | Low | 52.4 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 53% | 0.534 | 69% | 0.692 | S | S | . | * | trans | -70.1 | 123.8 | 177.1 | -145.8 | 70.6 | 0 | 0 | 0 | 109.3 | S41 P51 | S41-L43 PolarHBondContact O-N 3.49Å; L43-P51 HydrophobicContact CD1-CG 3.98Å | ||
| 44 | S | 50.5 | Low | 52.4 | Low | 74 Ų | 74 | 120.8 Ų | 120.8 | 52% | 0.517 | 69% | 0.692 | S | S | . | * | trans | -76 | 133.7 | -178.7 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | P42 Y46 L47 | P42-S44 PolarHBondContact O-N 3.35Å; S44-Y46 PolarHBondContact O-N 2.97Å; S44-L47 PolarHBondContact O-N 2.66Å; S44-L47 VanDerWaalsContact O-N 3.1Å | ||
| 45 | P | 56.8 | Low | 52.3 | Low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 32 | -170.8 | 29.1 | -36.8 | 0 | 0 | 0 | 116.1 | ||
| 46 | Y | 47.8 | Very low | 52.1 | Low | 231 Ų | 231 | 122.2 Ų | 122.2 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.3 | 4.7 | 166.7 | -70.4 | -72.1 | 0 | 0 | 0 | 113.1 | S44 | S44-Y46 PolarHBondContact O-N 2.97Š|
| 47 | L | 54.8 | Low | 52.2 | Low | 106 Ų | 106 | 123.9 Ų | 123.9 | 56% | 0.555 | 68% | 0.677 | S | S | * | * | trans | -96.7 | 92 | 171.7 | -152 | 75.7 | 0 | 0 | 0 | 108.1 | S44 V49 | S44-L47 PolarHBondContact O-N 2.66Å; S44-L47 VanDerWaalsContact O-N 3.1Å; L47-V49 PolarHBondContact O-N 2.95Å | ||
| 48 | N | 55.8 | Low | 52 | Low | 168 Ų | 168 | 121.8 Ų | 121.8 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | trans | -74.4 | 29.4 | 177.9 | -155.6 | 91.2 | 0 | 0 | 0 | 112.6 | ||||
| 49 | V | 55.3 | Low | 51.8 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | trans | -117.7 | 105.6 | -179.8 | -172.5 | 0 | 0 | 0 | 0 | 107.2 | L47 | L47-V49 PolarHBondContact O-N 2.95Š| ||
| 50 | D | 54.2 | Low | 51.4 | Low | 74 Ų | 74 | 125.2 Ų | 125.2 | 40% | 0.396 | 66% | 0.66 | S | S | . | * | trans | -63 | 124.3 | 173.8 | -172.4 | -12.4 | 0 | 0 | 0 | 108.4 | R52 F53 | D50-R52 PolarHBondContact O-N 3.37Å; D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; D50-R52 PolarHBondContact OD1-N 3.04Å; D50-F53 HydrophobicContact CB-CD2 3.81Å; D50-F53 HydrophobicContact CB-CE2 3.94Å; D50-F53 PolarHBondContact O-N 3.46Å | ||
| 51 | P | 55 | Low | 51.1 | Low | 59 Ų | 59 | 123.5 Ų | 123.5 | 38% | 0.383 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -60.2 | -11.7 | -178.4 | 22.5 | -33 | 0 | 0 | 0 | 113.2 | L43 F53 L54 V55 | L43-P51 HydrophobicContact CD1-CG 3.98Å; P51-F53 PolarHBondContact O-N 3.13Å; P51-L54 PolarHBondContact O-N 3Å; P51-L54 VanDerWaalsContact O-N 3.13Å; P51-V55 PolarHBondContact O-N 2.96Å |
| 52 | R | 52.6 | Low | 50.7 | Low | 197 Ų | 197 | 124.6 Ų | 124.6 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -64.8 | -21.4 | 169.5 | -63.8 | -176.6 | 67 | 145.2 | 2.7 | 114.3 | D50 | D50-R52 PolarHBondContact O-N 3.37Å; D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; D50-R52 PolarHBondContact OD1-N 3.04Å |
| 53 | F | 52.4 | Low | 50.3 | Low | 137 Ų | 137 | 122.6 Ų | 122.6 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -83.5 | -12.7 | 172.9 | -66.5 | -71.3 | 0 | 0 | 0 | 113.3 | D50 P51 | D50-F53 HydrophobicContact CB-CD2 3.81Å; D50-F53 HydrophobicContact CB-CE2 3.94Å; D50-F53 PolarHBondContact O-N 3.46Å; P51-F53 PolarHBondContact O-N 3.13Å |
| 54 | L | 53.3 | Low | 49.9 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -13.1 | 170.1 | -64.1 | 170.3 | 0 | 0 | 0 | 112 | P51 Q56 | P51-L54 PolarHBondContact O-N 3Å; P51-L54 VanDerWaalsContact O-N 3.13Å; L54-Q56 VanDerWaalsContact C-N 3.3Å |
| 55 | V | 49.6 | Very low | 49.7 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | trans | -100 | 35.4 | 169.9 | -166.9 | 0 | 0 | 0 | 0 | 109.9 | P51 D57 | P51-V55 PolarHBondContact O-N 2.96Å; V55-D57 PolarHBondContact O-N 3.39Å; V55-D57 VanDerWaalsContact O-N 3.16Å | ||
| 56 | Q | 45.3 | Very low | 49.3 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 50% | 0.5 | 66% | 0.657 | S | S | . | * | trans | -78.7 | 84.7 | 153.7 | -91.2 | -177.5 | -105.6 | 0 | 0 | 107.2 | L54 T58 | L54-Q56 VanDerWaalsContact C-N 3.3Å; Q56-T58 PolarHBondContact O-N 3.4Å | ||
| 57 | D | 45.7 | Very low | 49.1 | Very low | 156 Ų | 156 | 117 Ų | 117 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | trans | -70.2 | 48 | 160.8 | -144.1 | -53.5 | 0 | 0 | 0 | 109.8 | V55 | V55-D57 PolarHBondContact O-N 3.39Å; V55-D57 VanDerWaalsContact O-N 3.16Å | ||
| 58 | T | 46.4 | Very low | 48.5 | Very low | 84 Ų | 84 | 117.9 Ų | 117.9 | 52% | 0.515 | 65% | 0.646 | S | S | . | * | trans | -130.2 | 91.1 | 165.2 | 54.3 | 0 | 0 | 0 | 0 | 102.8 | Q56 E60 | Q56-T58 PolarHBondContact O-N 3.4Å; T58-E60 PolarHBondContact O-N 3.18Å | ||
| 59 | D | 45.9 | Very low | 48 | Very low | 148 Ų | 148 | 118.1 Ų | 118.1 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | trans | -53.5 | 79.2 | 154 | -87.5 | -44 | 0 | 0 | 0 | 107.2 | F61 | D59-F61 HydrophobicContact CB-CD2 4.43Å; D59-F61 PolarHBondContact O-N 3.49Å | ||
| 60 | E | 45.3 | Very low | 47.6 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | -73.9 | 72.8 | 169 | -159.7 | 176.5 | 172.8 | 0 | 0 | 105.1 | T58 I62 | T58-E60 PolarHBondContact O-N 3.18Å; E60-I62 HydrophobicContact CG-CD1 4.47Å; E60-I62 HydrophobicContact CG-CG1 3.96Å; E60-I62 PolarHBondContact O-N 3.45Å | ||
| 61 | F | 43.9 | Very low | 47.3 | Very low | 122 Ų | 122 | 126 Ų | 126 | 54% | 0.535 | 66% | 0.664 | S | S | . | * | trans | -62.7 | 81.3 | 159.7 | -105.5 | -86.2 | 0 | 0 | 0 | 106.6 | D59 L63 | D59-F61 HydrophobicContact CB-CD2 4.43Å; D59-F61 PolarHBondContact O-N 3.49Å; F61-L63 HydrophobicContact CB-CD1 4.2Å; F61-L63 HydrophobicContact CB-CG 4.21Å; F61-L63 HydrophobicContact CD1-CD2 4.02Å; F61-L63 HydrophobicContact CD1-CG 3.95Å; F61-L63 PolarHBondContact O-N 2.99Å | ||
| 62 | I | 48.3 | Very low | 47 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 67% | 0.672 | 67% | 0.666 | S | S | * | * | trans | -67.4 | 81.6 | 153.1 | -52.7 | 178.4 | 0 | 0 | 0 | 104.8 | E60 P64 | E60-I62 HydrophobicContact CG-CD1 4.47Å; E60-I62 HydrophobicContact CG-CG1 3.96Å; E60-I62 PolarHBondContact O-N 3.45Å; I62-P64 WeakPolarHBondContact O-CD 3.39Å | ||
| 63 | L | 42.9 | Very low | 47 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 45% | 0.45 | 66% | 0.655 | S | S | . | * | trans | -62 | 116.6 | 165.1 | -65.9 | 131.4 | 0 | 0 | 0 | 105.3 | F61 T65 A67 | F61-L63 HydrophobicContact CB-CD1 4.2Å; F61-L63 HydrophobicContact CB-CG 4.21Å; F61-L63 HydrophobicContact CD1-CD2 4.02Å; F61-L63 HydrophobicContact CD1-CG 3.95Å; F61-L63 PolarHBondContact O-N 2.99Å; L63-T65 PolarHBondContact O-N 3.03Å; L63-A67 WeakPolarHBondContact CD2-O 3.17Å | ||
| 64 | P | 47 | Very low | 46.9 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -52.6 | 116.7 | 161.3 | -18.8 | 32.4 | 0 | 0 | 0 | 106.1 | I62 G66 | I62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-G66 PolarHBondContact O-N 2.94Å | ||
| 65 | T | 45.3 | Very low | 47 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 95% | 0.945 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -22 | 97.3 | 174 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | L63 | L63-T65 PolarHBondContact O-N 3.03Š|
| 66 | G | 47.7 | Very low | 47.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.9 | -3.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | P64 | P64-G66 PolarHBondContact O-N 2.94Š|
| 67 | A | 44.8 | Very low | 47.9 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 57% | 0.57 | 65% | 0.647 | S | S | * | * | trans | -110.2 | 79.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 K69 | L63-A67 WeakPolarHBondContact CD2-O 3.17Å; A67-K69 PolarHBondContact O-N 3.47Å | ||
| 68 | N | 41.9 | Very low | 48.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | trans | -59.6 | 118.2 | 171 | -174.1 | -3.9 | 0 | 0 | 0 | 110.3 | T70 | N68-T70 PolarHBondContact ND2-OG1 2.88Å; N68-T70 PolarHBondContact O-N 2.76Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.38Å; N68-T70 PolarHBondContact OD1-N 3.38Å; N68-T70 PolarHBondContact OD1-OG1 3.45Å; N68-T70 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 69 | K | 46 | Very low | 49.8 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -77.9 | 34.9 | 176.4 | -161.9 | 159.9 | 178.9 | 177.2 | 0 | 112.3 | A67 | A67-K69 PolarHBondContact O-N 3.47Š|
| 70 | T | 47 | Very low | 50.8 | Low | 78 Ų | 78 | 121.8 Ų | 121.8 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -109.6 | 119.7 | 162.6 | 61.4 | 0 | 0 | 0 | 0 | 106.6 | N68 G72 | N68-T70 PolarHBondContact ND2-OG1 2.88Å; N68-T70 PolarHBondContact O-N 2.76Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.38Å; N68-T70 PolarHBondContact OD1-N 3.38Å; N68-T70 PolarHBondContact OD1-OG1 3.45Å; N68-T70 VanDerWaalsContact OD1-OG1 3.09Å; T70-G72 PolarHBondContact O-N 2.88Å; T70-G72 VanDerWaalsContact O-N 3.09Å |
| 71 | R | 47.9 | Very low | 52.2 | Low | 238 Ų | 238 | 116.8 Ų | 116.8 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | trans | -41.5 | 124.4 | 163.4 | -78 | 179.7 | 145.9 | 166 | -6 | 108.2 | R73 | R71-R73 PolarHBondContact O-N 3.41Š| ||
| 72 | G | 46.8 | Very low | 53.5 | Low | 41 Ų | 41 | 112.5 Ų | 112.5 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | trans | -47.8 | 130 | -167 | 0 | 0 | 0 | 0 | 0 | 110.7 | T70 F74 E75 | T70-G72 PolarHBondContact O-N 2.88Å; T70-G72 VanDerWaalsContact O-N 3.09Å; G72-F74 PolarHBondContact O-N 3.48Å; G72-E75 WeakPolarHBondContact O-CA 3.48Å; G72-E75 VanDerWaalsContact O-CB 3.27Å; G72-E75 WeakPolarHBondContact O-CB 3.37Å; G72-E75 PolarHBondContact O-N 3.05Å | ||
| 73 | R | 54.3 | Low | 55 | Low | 134 Ų | 134 | 107.7 Ų | 107.7 | 51% | 0.506 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.4 | -15.4 | 177.2 | -110.6 | 155.8 | 138.4 | 174.8 | -0.6 | 114.3 | R71 L76 A77 E147 | R71-R73 PolarHBondContact O-N 3.41Å; R73-L76 PolarHBondContact O-N 2.86Å; R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.48Å; R73-E147 IonicContact CZ-OE1 2.84Å; R73-E147 IonicContact CZ-OE2 3.04Å; R73-E147 IonicContact NE-OE2 2.89Å; R73-E147 IonicContact NH1-OE1 3.91Å; R73-E147 PolarHBondContact NH1-OE1 3.44Å; R73-E147 IonicContact NH1-OE2 2.6Å; R73-E147 PolarHBondContact NH1-OE2 3.5Å; R73-E147 IonicContact NH2-OE1 2.59Å; R73-E147 PolarHBondContact NH2-OE1 3.42Å; R73-E147 IonicContact NH2-OE2 2.69Å; R73-E147 PolarHBondContact NH2-OE2 3.4Å |
| 74 | F | 50.5 | Low | 56.5 | Low | 187 Ų | 187 | 104.7 Ų | 104.7 | 82% | 0.82 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.2 | -39.4 | 164.8 | -91.1 | -85.5 | 0 | 0 | 0 | 112.8 | G72 F78 | G72-F74 PolarHBondContact O-N 3.48Å; F74-F78 WeakPolarHBondContact O-CA 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.33Å; F74-F78 PolarHBondContact O-N 2.83Å |
| 75 | E | 53.7 | Low | 58 | Low | 148 Ų | 148 | 101.8 Ų | 101.8 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.4 | -45 | 174.4 | -67.6 | -80.6 | 136.8 | 0 | 0 | 111 | G72 F79 | G72-E75 WeakPolarHBondContact O-CA 3.48Å; G72-E75 VanDerWaalsContact O-CB 3.27Å; G72-E75 WeakPolarHBondContact O-CB 3.37Å; G72-E75 PolarHBondContact O-N 3.05Å; E75-F79 VanDerWaalsContact O-CB 3.28Å; E75-F79 WeakPolarHBondContact O-CB 3.47Å; E75-F79 PolarHBondContact O-N 3.12Å |
| 76 | L | 57.7 | Low | 59.7 | Low | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.9 | -41.2 | -179.6 | -146.6 | 81.8 | 0 | 0 | 0 | 112 | R73 T80 | R73-L76 PolarHBondContact O-N 2.86Å; L76-T80 WeakPolarHBondContact O-CB 3.27Å; L76-T80 PolarHBondContact O-N 3.38Å; L76-T80 PolarHBondContact O-OG1 2.86Å |
| 77 | A | 57.2 | Low | 61.3 | Low | 26 Ų | 26 | 101.2 Ų | 101.2 | 22% | 0.215 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | R73 F79 T80 I81 | R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.48Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 2.95Å; A77-T80 CarbonylContact O-C 3.59Å; A77-T80 PolarHBondContact O-N 3.39Å; A77-T80 VanDerWaalsContact O-N 3.1Å; A77-I81 HydrophobicContact CB-CD1 4.21Å; A77-I81 WeakPolarHBondContact O-CB 3.42Å; A77-I81 VanDerWaalsContact O-CD1 3.23Å; A77-I81 WeakPolarHBondContact O-CD1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.4Å; A77-I81 PolarHBondContact O-N 3.32Å |
| 78 | F | 63.8 | Low | 63 | Low | 166 Ų | 166 | 98 Ų | 98 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 179.3 | -164.8 | -95.6 | 0 | 0 | 0 | 111.6 | F74 G82 | F74-F78 WeakPolarHBondContact O-CA 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.33Å; F74-F78 PolarHBondContact O-N 2.83Å; F78-G82 WeakPolarHBondContact O-CA 3.05Å; F78-G82 PolarHBondContact O-N 3.19Å |
| 79 | F | 67.2 | Low | 65 | Low | 165 Ų | 165 | 93.7 Ų | 93.7 | 72% | 0.724 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 171.2 | -175.9 | -98.5 | 0 | 0 | 0 | 112.3 | E75 A77 G83 | E75-F79 VanDerWaalsContact O-CB 3.28Å; E75-F79 WeakPolarHBondContact O-CB 3.47Å; E75-F79 PolarHBondContact O-N 3.12Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 2.95Å; F79-G83 WeakPolarHBondContact O-CA 3.47Å; F79-G83 PolarHBondContact O-N 3.44Å |
| 80 | T | 68 | Low | 66.8 | Low | 67 Ų | 67 | 88.7 Ų | 88.7 | 41% | 0.411 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 112 | L76 A77 S84 | L76-T80 WeakPolarHBondContact O-CB 3.27Å; L76-T80 PolarHBondContact O-N 3.38Å; L76-T80 PolarHBondContact O-OG1 2.86Å; A77-T80 CarbonylContact O-C 3.59Å; A77-T80 PolarHBondContact O-N 3.39Å; A77-T80 VanDerWaalsContact O-N 3.1Å; T80-S84 VanDerWaalsContact O-CB 3.31Å; T80-S84 WeakPolarHBondContact O-CB 3.37Å; T80-S84 PolarHBondContact O-N 3.3Å; T80-S84 PolarHBondContact O-OG 3.44Å |
| 81 | I | 73.4 | Confident | 68.6 | Low | 33 Ų | 33 | 89.4 Ų | 89.4 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.6 | -48.9 | 176.3 | -64.9 | 154.8 | 0 | 0 | 0 | 109.4 | A77 G83 S84 C85 L137 | A77-I81 HydrophobicContact CB-CD1 4.21Å; A77-I81 WeakPolarHBondContact O-CB 3.42Å; A77-I81 VanDerWaalsContact O-CD1 3.23Å; A77-I81 WeakPolarHBondContact O-CD1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.4Å; A77-I81 PolarHBondContact O-N 3.32Å; I81-G83 PolarHBondContact O-N 3.19Å; I81-S84 PolarHBondContact O-N 2.85Å; I81-S84 PolarHBondContact O-OG 2.9Å; I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 3.2Å; I81-L137 HydrophobicContact CD1-CD2 3.47Å; I81-L137 VanDerWaalsContact CD1-CD2 3.47Å; I81-L137 HydrophobicContact CD1-CG 4.34Å; I81-L137 HydrophobicContact CG1-CD2 3.96Å; I81-L137 HydrophobicContact CG1-CG 4.3Å; I81-L137 HydrophobicContact CG2-CD2 3.92Å; I81-L137 HydrophobicContact CG2-CG 3.87Å |
| 82 | G | 72.9 | Confident | 70.3 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F78 C85 M86 | F78-G82 WeakPolarHBondContact O-CA 3.05Å; F78-G82 PolarHBondContact O-N 3.19Å; G82-C85 PolarHBondContact O-N 3.02Å; G82-M86 WeakPolarHBondContact O-CB 2.96Å; G82-M86 WeakPolarHBondContact O-CG 3.35Å; G82-M86 PolarHBondContact O-N 2.96Å |
| 83 | G | 78.6 | Confident | 72.1 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F79 I81 C85 M86 T87 | F79-G83 WeakPolarHBondContact O-CA 3.47Å; F79-G83 PolarHBondContact O-N 3.44Å; I81-G83 PolarHBondContact O-N 3.19Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.39Å; G83-M86 PolarHBondContact O-N 3.07Å; G83-T87 WeakPolarHBondContact O-CB 3.33Å; G83-T87 VanDerWaalsContact O-CG2 3.29Å; G83-T87 WeakPolarHBondContact O-CG2 3.42Å; G83-T87 PolarHBondContact O-N 2.82Å; G83-T87 PolarHBondContact O-OG1 3.29Å |
| 84 | S | 75.3 | Confident | 73.6 | Confident | 23 Ų | 23 | 76.1 Ų | 76.1 | 16% | 0.161 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 174.7 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | T80 I81 T87 G88 A136 | T80-S84 VanDerWaalsContact O-CB 3.31Å; T80-S84 WeakPolarHBondContact O-CB 3.37Å; T80-S84 PolarHBondContact O-N 3.3Å; T80-S84 PolarHBondContact O-OG 3.44Å; I81-S84 PolarHBondContact O-N 2.85Å; I81-S84 PolarHBondContact O-OG 2.9Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 PolarHBondContact O-OG1 2.81Å; S84-G88 PolarHBondContact O-N 3.2Å; S84-A136 WeakPolarHBondContact OG-CB 3.36Å |
| 85 | C | 78.6 | Confident | 75.2 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -44.7 | 177.8 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | I81 G82 G83 G88 A89 | I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 3.2Å; G82-C85 PolarHBondContact O-N 3.02Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.39Å; C85-G88 PolarHBondContact O-N 3.04Å; C85-A89 VanDerWaalsContact O-CB 3.27Å; C85-A89 WeakPolarHBondContact O-CB 3.12Å; C85-A89 PolarHBondContact O-N 3.3Å |
| 86 | M | 81.1 | Confident | 76.6 | Confident | 143 Ų | 143 | 63.5 Ų | 63.5 | 70% | 0.704 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 175.7 | -80.7 | -175.4 | 156.8 | 0 | 0 | 112.2 | G82 G83 A89 S90 | G82-M86 WeakPolarHBondContact O-CB 2.96Å; G82-M86 WeakPolarHBondContact O-CG 3.35Å; G82-M86 PolarHBondContact O-N 2.96Å; G83-M86 PolarHBondContact O-N 3.07Å; M86-A89 PolarHBondContact O-N 2.87Å; M86-S90 WeakPolarHBondContact O-CB 3.32Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 2.9Å |
| 87 | T | 81.6 | Confident | 77.8 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | G83 S84 S90 L91 | G83-T87 WeakPolarHBondContact O-CB 3.33Å; G83-T87 VanDerWaalsContact O-CG2 3.29Å; G83-T87 WeakPolarHBondContact O-CG2 3.42Å; G83-T87 PolarHBondContact O-N 2.82Å; G83-T87 PolarHBondContact O-OG1 3.29Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 PolarHBondContact O-OG1 2.81Å; T87-S90 WeakPolarHBondContact O-CB 3.3Å; T87-S90 PolarHBondContact O-N 3.08Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.43Å |
| 88 | G | 80.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S84 C85 G92 | S84-G88 PolarHBondContact O-N 3.2Å; C85-G88 PolarHBondContact O-N 3.04Å; G88-G92 PolarHBondContact O-N 3.24Å |
| 89 | A | 82.7 | Confident | 79.7 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 28% | 0.281 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C85 M86 A93 A129 | C85-A89 VanDerWaalsContact O-CB 3.27Å; C85-A89 WeakPolarHBondContact O-CB 3.12Å; C85-A89 PolarHBondContact O-N 3.3Å; M86-A89 PolarHBondContact O-N 2.87Å; A89-A93 WeakPolarHBondContact O-CB 3.24Å; A89-A93 PolarHBondContact O-N 2.9Å; A89-A129 HydrophobicContact CB-CB 3.94Å |
| 90 | S | 85.1 | Confident | 80.1 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 179 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | M86 T87 A93 L94 | M86-S90 WeakPolarHBondContact O-CB 3.32Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 2.9Å; T87-S90 WeakPolarHBondContact O-CB 3.3Å; T87-S90 PolarHBondContact O-N 3.08Å; S90-A93 PolarHBondContact O-N 3.43Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 2.7Å |
| 91 | L | 84.3 | Confident | 80.6 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 178.9 | -67 | 174.7 | 0 | 0 | 0 | 112.2 | T87 N95 | T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.43Å; L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 VanDerWaalsContact O-N 3.1Å; L91-N95 PolarHBondContact O-ND2 3.01Å |
| 92 | G | 82.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G88 G96 Q124 | G88-G92 PolarHBondContact O-N 3.24Å; G92-G96 PolarHBondContact O-N 2.88Å; G92-Q124 WeakPolarHBondContact O-CG 3.41Å |
| 93 | A | 85.1 | Confident | 80.7 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A89 S90 G96 L97 V121 | A89-A93 WeakPolarHBondContact O-CB 3.24Å; A89-A93 PolarHBondContact O-N 2.9Å; S90-A93 PolarHBondContact O-N 3.43Å; A93-G96 PolarHBondContact O-N 2.81Å; A93-L97 VanDerWaalsContact O-CB 3.23Å; A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 PolarHBondContact O-N 3.23Å; A93-V121 HydrophobicContact CB-CG1 3.8Å |
| 94 | L | 86.5 | Confident | 80.1 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.5 | -71.9 | 172.4 | 0 | 0 | 0 | 112.2 | S90 L97 R98 | S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 3.26Å; L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.01Å |
| 95 | N | 83.3 | Confident | 79.6 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 176.1 | -79.8 | -77.1 | 0 | 0 | 0 | 111.9 | L91 L97 R98 M99 | L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 VanDerWaalsContact O-N 3.1Å; L91-N95 PolarHBondContact O-ND2 3.01Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.67Å; N95-R98 PolarHBondContact O-N 3Å; N95-M99 PolarHBondContact O-N 3.16Å |
| 96 | G | 82.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G92 A93 G100 | G92-G96 PolarHBondContact O-N 2.88Å; A93-G96 PolarHBondContact O-N 2.81Å; G96-G100 PolarHBondContact O-N 3.33Å |
| 97 | L | 83.4 | Confident | 77.9 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.3 | -43.2 | 175.6 | -175.4 | 64.3 | 0 | 0 | 0 | 110.9 | A93 L94 N95 G100 L101 I117 V121 | A93-L97 VanDerWaalsContact O-CB 3.23Å; A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 PolarHBondContact O-N 3.23Å; L94-L97 PolarHBondContact O-N 3.26Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.67Å; L97-G100 PolarHBondContact O-N 2.91Å; L97-L101 HydrophobicContact CD1-CD1 4.16Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.37Å; L97-I117 HydrophobicContact CD1-CG2 3.6Å; L97-V121 VanDerWaalsContact CA-CG2 3.44Å; L97-V121 HydrophobicContact CB-CG2 3.66Å; L97-V121 HydrophobicContact CD1-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.32Å |
| 98 | R | 81.4 | Confident | 76.9 | Confident | 187 Ų | 187 | 77.8 Ų | 77.8 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 175.6 | -75.5 | -178.5 | 179.8 | -176.9 | 0.7 | 112 | L94 N95 K102 | L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.01Å; N95-R98 PolarHBondContact O-N 3Å; R98-K102 WeakPolarHBondContact O-CB 3.17Å; R98-K102 PolarHBondContact O-N 3.15Å; R98-K102 VanDerWaalsContact O-N 3.1Å |
| 99 | M | 79.1 | Confident | 75.9 | Confident | 116 Ų | 116 | 87.8 Ų | 87.8 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.6 | -44.6 | 175.1 | -76.9 | 172.6 | 101.4 | 0 | 0 | 111.5 | N95 L101 K102 E103 | N95-M99 PolarHBondContact O-N 3.16Å; M99-L101 PolarHBondContact O-N 3.08Å; M99-K102 PolarHBondContact O-N 3.28Å; M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 PolarHBondContact O-N 3.37Å |
| 100 | G | 76.7 | Confident | 75.2 | Confident | 2 Ų | 2 | 89.3 Ų | 89.3 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G96 L97 T104 | G96-G100 PolarHBondContact O-N 3.33Å; L97-G100 PolarHBondContact O-N 2.91Å; G100-T104 WeakPolarHBondContact O-CB 3.43Å; G100-T104 WeakPolarHBondContact O-CG2 3.28Å; G100-T104 PolarHBondContact O-N 3.12Å; G100-T104 PolarHBondContact O-OG1 3.49Å |
| 101 | L | 77.1 | Confident | 74.4 | Confident | 84 Ų | 84 | 94.9 Ų | 94.9 | 44% | 0.44 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 175.6 | -74.3 | 170.6 | 0 | 0 | 0 | 112.6 | L97 M99 R105 I117 | L97-L101 HydrophobicContact CD1-CD1 4.16Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.37Å; M99-L101 PolarHBondContact O-N 3.08Å; L101-R105 PolarHBondContact O-N 2.92Å; L101-I117 HydrophobicContact CD2-CD1 4.01Å |
| 102 | K | 77.2 | Confident | 74.1 | Confident | 164 Ų | 164 | 94.6 Ų | 94.6 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 176.2 | -172.4 | 177.8 | 177.7 | -176.4 | 0 | 111.5 | R98 M99 R105 | R98-K102 WeakPolarHBondContact O-CB 3.17Å; R98-K102 PolarHBondContact O-N 3.15Å; R98-K102 VanDerWaalsContact O-N 3.1Å; M99-K102 PolarHBondContact O-N 3.28Å; K102-R105 VanDerWaalsContact O-CB 3.26Å; K102-R105 WeakPolarHBondContact O-CB 3.34Å; K102-R105 PolarHBondContact O-N 3.33Å |
| 103 | E | 73 | Confident | 73.6 | Confident | 130 Ų | 130 | 96.2 Ų | 96.2 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.1 | -34.5 | -178.4 | -162.7 | 66.4 | -167.7 | 0 | 0 | 112.4 | M99 R105 | M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 PolarHBondContact O-N 3.37Å; E103-R105 VanDerWaalsContact C-N 3.31Å |
| 104 | T | 65.9 | Low | 73.3 | Confident | 2 Ų | 2 | 98.6 Ų | 98.6 | 1% | 0.012 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.9 | 176.6 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | G100 D106 M107 R113 Q116 I117 | G100-T104 WeakPolarHBondContact O-CB 3.43Å; G100-T104 WeakPolarHBondContact O-CG2 3.28Å; G100-T104 PolarHBondContact O-N 3.12Å; G100-T104 PolarHBondContact O-OG1 3.49Å; T104-D106 PolarHBondContact O-N 3.28Å; T104-M107 HydrophobicContact CG2-CE 4.09Å; T104-M107 HydrophobicContact CG2-SD 4.21Å; T104-M107 PolarHBondContact O-N 2.82Å; T104-M107 VanDerWaalsContact O-N 3.09Å; T104-R113 HydrophobicContact CG2-CG 4.01Å; T104-R113 PolarHBondContact O-NE 3.03Å; T104-R113 PolarHBondContact O-NH1 2.78Å; T104-R113 PolarHBondContact O-NH2 3.43Å; T104-R113 VanDerWaalsContact O-NH2 3.15Å; T104-R113 PolarHBondContact OG1-NE 3.35Å; T104-Q116 HydrophobicContact CG2-CG 4.44Å; T104-I117 HydrophobicContact CG2-CD1 4.49Å; T104-I117 HydrophobicContact CG2-CG1 3.86Å; T104-I117 WeakPolarHBondContact OG1-CD1 3.49Å; T104-I117 WeakPolarHBondContact OG1-CG1 3Å |
| 105 | R | 63.6 | Low | 73.2 | Confident | 182 Ų | 182 | 98.4 Ų | 98.4 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | -177.1 | -166.4 | 176.8 | 69.8 | 145.6 | 3.5 | 112.7 | L101 K102 E103 M107 | L101-R105 PolarHBondContact O-N 2.92Å; K102-R105 VanDerWaalsContact O-CB 3.26Å; K102-R105 WeakPolarHBondContact O-CB 3.34Å; K102-R105 PolarHBondContact O-N 3.33Å; E103-R105 VanDerWaalsContact C-N 3.31Å; R105-M107 VanDerWaalsContact C-N 3.3Å; R105-M107 PolarHBondContact O-N 3.32Å |
| 106 | D | 62.5 | Low | 73.2 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.3 | -178 | -58.5 | -29.7 | 0 | 0 | 0 | 113 | T104 | T104-D106 PolarHBondContact O-N 3.28Š|
| 107 | M | 61.2 | Low | 73.2 | Confident | 77 Ų | 77 | 100.1 Ų | 100.1 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -99.4 | 134.2 | 177.1 | -58.9 | 178.3 | -146.5 | 0 | 0 | 111 | T104 R105 R113 | T104-M107 HydrophobicContact CG2-CE 4.09Å; T104-M107 HydrophobicContact CG2-SD 4.21Å; T104-M107 PolarHBondContact O-N 2.82Å; T104-M107 VanDerWaalsContact O-N 3.09Å; R105-M107 VanDerWaalsContact C-N 3.3Å; R105-M107 PolarHBondContact O-N 3.32Å; M107-R113 PolarHBondContact O-NH1 3.39Å |
| 108 | A | 61.3 | Low | 73.2 | Confident | 85 Ų | 85 | 102.1 Ų | 102.1 | 70% | 0.702 | 50% | 0.497 | S | S | * | . | trans | -54.2 | 141.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S110 | A108-S110 PolarHBondContact O-N 3.36Š| ||
| 109 | W | 60 | Low | 73.6 | Confident | 210 Ų | 210 | 98.3 Ų | 98.3 | 80% | 0.795 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -63.8 | 96.2 | -178.7 | -168 | -64 | 0 | 0 | 0 | 110 | ||
| 110 | S | 66.6 | Low | 73.7 | Confident | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | trans | -134.8 | 157.4 | -175.3 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | A108 P112 R113 | A108-S110 PolarHBondContact O-N 3.36Å; S110-P112 VanDerWaalsContact C-N 3.26Å; S110-P112 VanDerWaalsContact O-N 3.13Å; S110-P112 VanDerWaalsContact OG-CD 3.24Å; S110-P112 WeakPolarHBondContact OG-CD 3.33Å; S110-R113 VanDerWaalsContact O-CB 3.23Å; S110-R113 WeakPolarHBondContact O-CB 3.26Å; S110-R113 PolarHBondContact O-N 3.1Å | ||
| 111 | K | 68.7 | Low | 74.2 | Confident | 184 Ų | 184 | 98 Ų | 98 | 80% | 0.8 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -48.4 | -38.6 | 179.7 | -72.4 | 179.9 | 179.4 | 174.6 | 0 | 113.9 | R113 N114 V115 | K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.99Å; K111-N114 PolarHBondContact O-N 3.28Å; K111-V115 PolarHBondContact O-N 2.87Å |
| 112 | P | 77.8 | Confident | 74.6 | Confident | 88 Ų | 88 | 98 Ų | 98 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -32.2 | 176.7 | -22.1 | 34.6 | 0 | 0 | 0 | 113.9 | S110 V115 Q116 | S110-P112 VanDerWaalsContact C-N 3.26Å; S110-P112 VanDerWaalsContact O-N 3.13Å; S110-P112 VanDerWaalsContact OG-CD 3.24Å; S110-P112 WeakPolarHBondContact OG-CD 3.33Å; P112-V115 PolarHBondContact O-N 3.41Å; P112-Q116 PolarHBondContact O-N 3.15Å |
| 113 | R | 73 | Confident | 75 | Confident | 35 Ų | 35 | 99.2 Ų | 99.2 | 13% | 0.132 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 178.8 | -178.4 | 174 | 174.9 | -174.9 | -3.3 | 111.4 | T104 M107 S110 K111 V115 Q116 I117 | T104-R113 HydrophobicContact CG2-CG 4.01Å; T104-R113 PolarHBondContact O-NE 3.03Å; T104-R113 PolarHBondContact O-NH1 2.78Å; T104-R113 PolarHBondContact O-NH2 3.43Å; T104-R113 VanDerWaalsContact O-NH2 3.15Å; T104-R113 PolarHBondContact OG1-NE 3.35Å; M107-R113 PolarHBondContact O-NH1 3.39Å; S110-R113 VanDerWaalsContact O-CB 3.23Å; S110-R113 WeakPolarHBondContact O-CB 3.26Å; S110-R113 PolarHBondContact O-N 3.1Å; K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.99Å; R113-V115 VanDerWaalsContact C-N 3.31Å; R113-V115 PolarHBondContact O-N 3.48Å; R113-Q116 PolarHBondContact O-N 2.91Å; R113-I117 HydrophobicContact CG-CD1 3.89Å; R113-I117 HydrophobicContact CG-CG1 4.48Å; R113-I117 VanDerWaalsContact O-CG1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.32Å; R113-I117 PolarHBondContact O-N 2.85Å |
| 114 | N | 77.8 | Confident | 75.5 | Confident | 79 Ų | 79 | 96 Ų | 96 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 178.7 | -67 | -0.1 | 0 | 0 | 0 | 111.4 | K111 L118 | K111-N114 PolarHBondContact O-N 3.28Å; N114-L118 VanDerWaalsContact O-CB 3.27Å; N114-L118 WeakPolarHBondContact O-CB 3.25Å; N114-L118 PolarHBondContact O-N 2.89Å |
| 115 | V | 85 | Confident | 76.3 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 61% | 0.606 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 177 | 178.6 | 0 | 0 | 0 | 0 | 111 | K111 P112 R113 L118 N119 | K111-V115 PolarHBondContact O-N 2.87Å; P112-V115 PolarHBondContact O-N 3.41Å; R113-V115 VanDerWaalsContact C-N 3.31Å; R113-V115 PolarHBondContact O-N 3.48Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-N119 VanDerWaalsContact O-CB 3.32Å; V115-N119 WeakPolarHBondContact O-CB 3.45Å; V115-N119 PolarHBondContact O-N 2.96Å |
| 116 | Q | 82.6 | Confident | 77.2 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 178.2 | -173.7 | 175.2 | 1.3 | 0 | 0 | 112.7 | T104 P112 R113 L118 N119 M120 | T104-Q116 HydrophobicContact CG2-CG 4.44Å; P112-Q116 PolarHBondContact O-N 3.15Å; R113-Q116 PolarHBondContact O-N 2.91Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-N119 PolarHBondContact O-N 2.87Å; Q116-M120 PolarHBondContact O-N 3.4Å |
| 117 | I | 82.4 | Confident | 77.9 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 10% | 0.097 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 174 | -65.7 | 163.3 | 0 | 0 | 0 | 109.4 | L97 L101 T104 R113 N119 M120 V121 | L97-I117 HydrophobicContact CD1-CG2 3.6Å; L101-I117 HydrophobicContact CD2-CD1 4.01Å; T104-I117 HydrophobicContact CG2-CD1 4.49Å; T104-I117 HydrophobicContact CG2-CG1 3.86Å; T104-I117 WeakPolarHBondContact OG1-CD1 3.49Å; T104-I117 WeakPolarHBondContact OG1-CG1 3Å; R113-I117 HydrophobicContact CG-CD1 3.89Å; R113-I117 HydrophobicContact CG-CG1 4.48Å; R113-I117 VanDerWaalsContact O-CG1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.32Å; R113-I117 PolarHBondContact O-N 2.85Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; I117-M120 PolarHBondContact O-N 3.06Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 2.92Å |
| 118 | L | 85.3 | Confident | 78.7 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 179.8 | -174.4 | 64 | 0 | 0 | 0 | 111.7 | N114 V115 Q116 M120 V121 T122 | N114-L118 VanDerWaalsContact O-CB 3.27Å; N114-L118 WeakPolarHBondContact O-CB 3.25Å; N114-L118 PolarHBondContact O-N 2.89Å; V115-L118 PolarHBondContact O-N 3.2Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.32Å; L118-V121 PolarHBondContact O-N 3.44Å; L118-T122 WeakPolarHBondContact O-CB 3.43Å; L118-T122 PolarHBondContact O-N 2.69Å; L118-T122 PolarHBondContact O-OG1 2.6Å |
| 119 | N | 88.4 | Confident | 79.4 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 57% | 0.572 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 176.7 | -170.3 | 40.8 | 0 | 0 | 0 | 111.8 | V115 Q116 I117 R123 | V115-N119 VanDerWaalsContact O-CB 3.32Å; V115-N119 WeakPolarHBondContact O-CB 3.45Å; V115-N119 PolarHBondContact O-N 2.96Å; Q116-N119 PolarHBondContact O-N 2.87Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; N119-R123 WeakPolarHBondContact O-CB 3.27Å; N119-R123 PolarHBondContact O-N 2.84Å |
| 120 | M | 82.6 | Confident | 80.4 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.3 | -102.9 | -134.7 | 164.5 | 0 | 0 | 112.3 | Q116 I117 L118 R123 Q124 | Q116-M120 PolarHBondContact O-N 3.4Å; I117-M120 PolarHBondContact O-N 3.06Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.32Å; M120-R123 PolarHBondContact O-N 2.59Å; M120-Q124 VanDerWaalsContact O-CB 3.23Å; M120-Q124 WeakPolarHBondContact O-CB 3.38Å; M120-Q124 PolarHBondContact O-N 3.01Å |
| 121 | V | 87.1 | Confident | 80.7 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 178.2 | 171.8 | 0 | 0 | 0 | 0 | 111 | A93 L97 I117 L118 Q124 G125 | A93-V121 HydrophobicContact CB-CG1 3.8Å; L97-V121 VanDerWaalsContact CA-CG2 3.44Å; L97-V121 HydrophobicContact CB-CG2 3.66Å; L97-V121 HydrophobicContact CD1-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.32Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 2.92Å; L118-V121 PolarHBondContact O-N 3.44Å; V121-Q124 PolarHBondContact O-N 2.82Å; V121-G125 PolarHBondContact O-N 3.49Å |
| 122 | T | 85.8 | Confident | 80.7 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | -177.9 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | L118 A126 | L118-T122 WeakPolarHBondContact O-CB 3.43Å; L118-T122 PolarHBondContact O-N 2.69Å; L118-T122 PolarHBondContact O-OG1 2.6Å; T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.87Å |
| 123 | R | 84.6 | Confident | 80.4 | Confident | 189 Ų | 189 | 70.5 Ų | 70.5 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 178.6 | -173 | 173.3 | 175.3 | -179.8 | -1.2 | 112 | N119 M120 S127 | N119-R123 WeakPolarHBondContact O-CB 3.27Å; N119-R123 PolarHBondContact O-N 2.84Å; M120-R123 PolarHBondContact O-N 2.59Å; R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.73Å |
| 124 | Q | 83.3 | Confident | 80.1 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 29% | 0.29 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 177.6 | -162.9 | 73.5 | 5.2 | 0 | 0 | 111.3 | G92 M120 V121 S127 W128 | G92-Q124 WeakPolarHBondContact O-CG 3.41Å; M120-Q124 VanDerWaalsContact O-CB 3.23Å; M120-Q124 WeakPolarHBondContact O-CB 3.38Å; M120-Q124 PolarHBondContact O-N 3.01Å; V121-Q124 PolarHBondContact O-N 2.82Å; Q124-S127 PolarHBondContact O-N 3.02Å; Q124-W128 VanDerWaalsContact NE2-NE1 3.15Å; Q124-W128 PolarHBondContact O-N 2.91Å |
| 125 | G | 82.9 | Confident | 79.5 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V121 S127 W128 A129 | V121-G125 PolarHBondContact O-N 3.49Å; G125-S127 PolarHBondContact O-N 2.77Å; G125-W128 PolarHBondContact O-N 2.68Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.87Å |
| 126 | A | 81.4 | Confident | 78.3 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T122 N130 | T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.87Å; A126-N130 WeakPolarHBondContact O-CB 3.46Å; A126-N130 VanDerWaalsContact O-CG 3.32Å; A126-N130 PolarHBondContact O-N 3.16Å; A126-N130 PolarHBondContact O-ND2 2.88Å |
| 127 | S | 77.8 | Confident | 77.3 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | R123 Q124 G125 S131 | R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.73Å; Q124-S127 PolarHBondContact O-N 3.02Å; G125-S127 PolarHBondContact O-N 2.77Å; S127-S131 WeakPolarHBondContact O-CB 3.41Å; S127-S131 PolarHBondContact O-N 3.41Å; S127-S131 VanDerWaalsContact O-N 3.15Å; S127-S131 PolarHBondContact O-OG 2.77Å |
| 128 | W | 77.6 | Confident | 76.4 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.4 | -39.8 | 177.8 | -80 | 58.4 | 0 | 0 | 0 | 112.3 | Q124 G125 S131 L132 | Q124-W128 VanDerWaalsContact NE2-NE1 3.15Å; Q124-W128 PolarHBondContact O-N 2.91Å; G125-W128 PolarHBondContact O-N 2.68Å; W128-S131 PolarHBondContact O-N 3.33Å; W128-L132 WeakPolarHBondContact O-CB 3.41Å; W128-L132 PolarHBondContact O-N 2.87Å |
| 129 | A | 77 | Confident | 75.1 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A89 G125 S131 L132 G133 | A89-A129 HydrophobicContact CB-CB 3.94Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.87Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.47Å; A129-L132 PolarHBondContact O-N 2.72Å; A129-G133 WeakPolarHBondContact O-CA 3.33Å; A129-G133 PolarHBondContact O-N 3.05Å |
| 130 | N | 80.4 | Confident | 73.4 | Confident | 118 Ų | 118 | 66.8 Ų | 66.8 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64 | -37.5 | 176.2 | -77.8 | -29.7 | 0 | 0 | 0 | 112.3 | A126 S134 | A126-N130 WeakPolarHBondContact O-CB 3.46Å; A126-N130 VanDerWaalsContact O-CG 3.32Å; A126-N130 PolarHBondContact O-N 3.16Å; A126-N130 PolarHBondContact O-ND2 2.88Å; N130-S134 VanDerWaalsContact O-CB 3.27Å; N130-S134 WeakPolarHBondContact O-CB 3.31Å; N130-S134 PolarHBondContact O-N 3.46Å; N130-S134 PolarHBondContact O-OG 3.01Å |
| 131 | S | 74.2 | Confident | 72.1 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | S127 W128 A129 S134 V135 | S127-S131 WeakPolarHBondContact O-CB 3.41Å; S127-S131 PolarHBondContact O-N 3.41Å; S127-S131 VanDerWaalsContact O-N 3.15Å; S127-S131 PolarHBondContact O-OG 2.77Å; W128-S131 PolarHBondContact O-N 3.33Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.47Å; S131-S134 PolarHBondContact O-OG 3.22Å; S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.36Å; S131-V135 PolarHBondContact O-N 2.97Å |
| 132 | L | 68.3 | Low | 70.4 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77 | -39.1 | 178.4 | -80.6 | 159.6 | 0 | 0 | 0 | 112.3 | W128 A129 V135 A136 | W128-L132 WeakPolarHBondContact O-CB 3.41Å; W128-L132 PolarHBondContact O-N 2.87Å; A129-L132 PolarHBondContact O-N 2.72Å; L132-V135 PolarHBondContact O-N 2.75Å; L132-A136 WeakPolarHBondContact O-CB 3.28Å; L132-A136 PolarHBondContact O-N 3.37Å |
| 133 | G | 71.3 | Confident | 68.6 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A129 A136 L137 | A129-G133 WeakPolarHBondContact O-CA 3.33Å; A129-G133 PolarHBondContact O-N 3.05Å; G133-A136 PolarHBondContact O-N 3.41Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 VanDerWaalsContact O-CG 3.28Å; G133-L137 WeakPolarHBondContact O-CG 3Å; G133-L137 PolarHBondContact O-N 3.06Å |
| 134 | S | 66.4 | Low | 66.7 | Low | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | N130 S131 L138 | N130-S134 VanDerWaalsContact O-CB 3.27Å; N130-S134 WeakPolarHBondContact O-CB 3.31Å; N130-S134 PolarHBondContact O-N 3.46Å; N130-S134 PolarHBondContact O-OG 3.01Å; S131-S134 PolarHBondContact O-OG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.13Å; S134-L138 PolarHBondContact O-N 2.93Å |
| 135 | V | 65.1 | Low | 64.9 | Low | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | S131 L132 L138 Y139 | S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.36Å; S131-V135 PolarHBondContact O-N 2.97Å; L132-V135 PolarHBondContact O-N 2.75Å; V135-L138 WeakPolarHBondContact O-CB 3.12Å; V135-L138 PolarHBondContact O-N 3.1Å; V135-Y139 WeakPolarHBondContact O-CB 3.43Å; V135-Y139 PolarHBondContact O-N 2.91Å |
| 136 | A | 60.3 | Low | 63 | Low | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.5 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S84 L132 G133 L138 Y139 S140 | S84-A136 WeakPolarHBondContact OG-CB 3.36Å; L132-A136 WeakPolarHBondContact O-CB 3.28Å; L132-A136 PolarHBondContact O-N 3.37Å; G133-A136 PolarHBondContact O-N 3.41Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.84Å; A136-Y139 PolarHBondContact O-N 2.95Å; A136-S140 PolarHBondContact O-N 3.01Å; A136-S140 PolarHBondContact O-OG 3.09Å |
| 137 | L | 61.8 | Low | 61.2 | Low | 93 Ų | 93 | 65.3 Ų | 65.3 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 173.7 | -83.8 | 169.4 | 0 | 0 | 0 | 111.4 | I81 G133 A141 | I81-L137 HydrophobicContact CD1-CD2 3.47Å; I81-L137 VanDerWaalsContact CD1-CD2 3.47Å; I81-L137 HydrophobicContact CD1-CG 4.34Å; I81-L137 HydrophobicContact CG1-CD2 3.96Å; I81-L137 HydrophobicContact CG1-CG 4.3Å; I81-L137 HydrophobicContact CG2-CD2 3.92Å; I81-L137 HydrophobicContact CG2-CG 3.87Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 VanDerWaalsContact O-CG 3.28Å; G133-L137 WeakPolarHBondContact O-CG 3Å; G133-L137 PolarHBondContact O-N 3.06Å; L137-A141 VanDerWaalsContact O-CB 3.23Å; L137-A141 WeakPolarHBondContact O-CB 3.34Å; L137-A141 PolarHBondContact O-N 2.81Å |
| 138 | L | 62.7 | Low | 59.3 | Low | 30 Ų | 30 | 70.9 Ų | 70.9 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 173.6 | -81.9 | 171.7 | 0 | 0 | 0 | 113.9 | S134 V135 A136 S140 A141 F142 F169 | S134-L138 WeakPolarHBondContact O-CG 3.13Å; S134-L138 PolarHBondContact O-N 2.93Å; V135-L138 WeakPolarHBondContact O-CB 3.12Å; V135-L138 PolarHBondContact O-N 3.1Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.84Å; L138-S140 PolarHBondContact O-N 2.66Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.12Å; L138-F142 HydrophobicContact CB-CD2 4.17Å; L138-F142 HydrophobicContact CB-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CD2 4.23Å; L138-F142 HydrophobicContact CD2-CE2 3.36Å; L138-F142 HydrophobicContact CD2-CZ 3.9Å; L138-F142 HydrophobicContact CG-CE2 4.23Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 WeakPolarHBondContact O-CD2 3.23Å; L138-F142 PolarHBondContact O-N 2.83Å; L138-F169 HydrophobicContact CD1-CB 4.24Å; L138-F169 HydrophobicContact CD1-CD1 3.02Å; L138-F169 HydrophobicContact CD1-CD2 3.6Å; L138-F169 HydrophobicContact CD1-CE1 2.98Å; L138-F169 HydrophobicContact CD1-CE2 3.54Å; L138-F169 HydrophobicContact CD1-CG 3.3Å; L138-F169 HydrophobicContact CD1-CZ 3.2Å; L138-F169 HydrophobicContact CD2-CB 4.32Å; L138-F169 HydrophobicContact CD2-CD1 4.21Å; L138-F169 HydrophobicContact CD2-CD2 2.97Å; L138-F169 HydrophobicContact CD2-CE1 4.28Å; L138-F169 HydrophobicContact CD2-CE2 3.03Å; L138-F169 HydrophobicContact CD2-CG 3.56Å; L138-F169 HydrophobicContact CD2-CZ 3.7Å; L138-F169 HydrophobicContact CG-CD1 3.95Å; L138-F169 HydrophobicContact CG-CD2 3.56Å; L138-F169 HydrophobicContact CG-CE1 3.72Å; L138-F169 HydrophobicContact CG-CE2 3.27Å; L138-F169 HydrophobicContact CG-CG 3.83Å; L138-F169 HydrophobicContact CG-CZ 3.31Å |
| 139 | Y | 57.5 | Low | 57.4 | Low | 180 Ų | 180 | 69.9 Ų | 69.9 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58 | -42.5 | 179.5 | 177.3 | -102.6 | 0 | 0 | 0 | 110.2 | V135 A136 G143 | V135-Y139 WeakPolarHBondContact O-CB 3.43Å; V135-Y139 PolarHBondContact O-N 2.91Å; A136-Y139 PolarHBondContact O-N 2.95Å; Y139-G143 PolarHBondContact O-N 3.42Å |
| 140 | S | 54.2 | Low | 55.9 | Low | 23 Ų | 23 | 74.9 Ų | 74.9 | 16% | 0.161 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 172.6 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | A136 L138 G143 V144 | A136-S140 PolarHBondContact O-N 3.01Å; A136-S140 PolarHBondContact O-OG 3.09Å; L138-S140 PolarHBondContact O-N 2.66Å; S140-G143 PolarHBondContact O-N 2.84Å; S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.37Å |
| 141 | A | 53.8 | Low | 53.8 | Low | 55 Ų | 55 | 73.2 Ų | 73.2 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L137 L138 V144 A145 | L137-A141 VanDerWaalsContact O-CB 3.23Å; L137-A141 WeakPolarHBondContact O-CB 3.34Å; L137-A141 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.12Å; A141-V144 PolarHBondContact O-N 3.01Å; A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.87Å |
| 142 | F | 51.7 | Low | 51.9 | Low | 71 Ų | 71 | 74.1 Ų | 74.1 | 31% | 0.311 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 172.5 | -70 | -57.6 | 0 | 0 | 0 | 111.9 | L138 V144 A145 I146 T165 | L138-F142 HydrophobicContact CB-CD2 4.17Å; L138-F142 HydrophobicContact CB-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CD2 4.23Å; L138-F142 HydrophobicContact CD2-CE2 3.36Å; L138-F142 HydrophobicContact CD2-CZ 3.9Å; L138-F142 HydrophobicContact CG-CE2 4.23Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 WeakPolarHBondContact O-CD2 3.23Å; L138-F142 PolarHBondContact O-N 2.83Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 3.37Å; F142-A145 PolarHBondContact O-N 3.22Å; F142-I146 HydrophobicContact CB-CD1 4.46Å; F142-I146 WeakPolarHBondContact O-CB 3.35Å; F142-I146 WeakPolarHBondContact O-CG1 3.33Å; F142-I146 PolarHBondContact O-N 3.1Å; F142-T165 HydrophobicContact CD1-CG2 3.76Å; F142-T165 HydrophobicContact CD2-CG2 4Å; F142-T165 HydrophobicContact CE1-CG2 3.11Å; F142-T165 HydrophobicContact CE2-CG2 3.36Å; F142-T165 HydrophobicContact CG-CG2 4.22Å; F142-T165 HydrophobicContact CZ-CG2 2.94Å |
| 143 | G | 49 | Very low | 50.8 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y139 S140 E147 | Y139-G143 PolarHBondContact O-N 3.42Å; S140-G143 PolarHBondContact O-N 2.84Å; G143-E147 WeakPolarHBondContact O-CB 3.36Å; G143-E147 PolarHBondContact O-N 2.63Å |
| 144 | V | 45 | Very low | 49.4 | Very low | 73 Ų | 73 | 83.3 Ų | 83.3 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.6 | -37.8 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | S140 A141 F142 K148 | S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.37Å; A141-V144 PolarHBondContact O-N 3.01Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 3.37Å; V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.83Å; V144-K148 VanDerWaalsContact O-N 3.1Å |
| 145 | A | 44.6 | Very low | 48.5 | Very low | 53 Ų | 53 | 86.8 Ų | 86.8 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A141 F142 E147 K148 A149 | A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.87Å; F142-A145 PolarHBondContact O-N 3.22Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3Å; A145-K148 PolarHBondContact O-N 3.32Å; A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.08Å |
| 146 | I | 44 | Very low | 47.6 | Very low | 80 Ų | 80 | 90.5 Ų | 90.5 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176.1 | -71.8 | 170.5 | 0 | 0 | 0 | 110.3 | F142 A149 R150 | F142-I146 HydrophobicContact CB-CD1 4.46Å; F142-I146 WeakPolarHBondContact O-CB 3.35Å; F142-I146 WeakPolarHBondContact O-CG1 3.33Å; F142-I146 PolarHBondContact O-N 3.1Å; I146-A149 PolarHBondContact O-N 2.79Å; I146-R150 WeakPolarHBondContact O-CB 3.31Å; I146-R150 PolarHBondContact O-N 3.02Å; I146-R150 VanDerWaalsContact O-N 3.15Å |
| 147 | E | 42.4 | Very low | 46.9 | Very low | 97 Ų | 97 | 95.3 Ų | 95.3 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.7 | -31 | 179.1 | -171 | -178.3 | -141.1 | 0 | 0 | 113.6 | R73 G143 A145 A149 | R73-E147 IonicContact CZ-OE1 2.84Å; R73-E147 IonicContact CZ-OE2 3.04Å; R73-E147 IonicContact NE-OE2 2.89Å; R73-E147 IonicContact NH1-OE1 3.91Å; R73-E147 PolarHBondContact NH1-OE1 3.44Å; R73-E147 IonicContact NH1-OE2 2.6Å; R73-E147 PolarHBondContact NH1-OE2 3.5Å; R73-E147 IonicContact NH2-OE1 2.59Å; R73-E147 PolarHBondContact NH2-OE1 3.42Å; R73-E147 IonicContact NH2-OE2 2.69Å; R73-E147 PolarHBondContact NH2-OE2 3.4Å; G143-E147 WeakPolarHBondContact O-CB 3.36Å; G143-E147 PolarHBondContact O-N 2.63Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3Å; E147-A149 VanDerWaalsContact C-N 3.34Å |
| 148 | K | 37.3 | Very low | 46.3 | Very low | 181 Ų | 181 | 93.6 Ų | 93.6 | 79% | 0.787 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.4 | -19.7 | 173.7 | -72.4 | -73.8 | -178.5 | 177.8 | 0 | 113.3 | V144 A145 | V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.83Å; V144-K148 VanDerWaalsContact O-N 3.1Å; A145-K148 PolarHBondContact O-N 3.32Å |
| 149 | A | 38.3 | Very low | 45.6 | Very low | 83 Ų | 83 | 94.4 Ų | 94.4 | 69% | 0.686 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -97.2 | -17.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A145 I146 E147 G151 | A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.08Å; I146-A149 PolarHBondContact O-N 2.79Å; E147-A149 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 3.1Å |
| 150 | R | 45.1 | Very low | 45.4 | Very low | 113 Ų | 113 | 88.1 Ų | 88.1 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | trans | -94.5 | 91.6 | -164.4 | -165.4 | 174.2 | -71.2 | -146.9 | -4.5 | 113.2 | I146 | I146-R150 WeakPolarHBondContact O-CB 3.31Å; I146-R150 PolarHBondContact O-N 3.02Å; I146-R150 VanDerWaalsContact O-N 3.15Å | ||
| 151 | G | 36.2 | Very low | 45.2 | Very low | 83 Ų | 83 | 89.4 Ų | 89.4 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -112.6 | 5.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A149 | A149-G151 PolarHBondContact O-N 3.1Š|
| 152 | A | 34 | Very low | 45.2 | Very low | 90 Ų | 90 | 88.1 Ų | 88.1 | 74% | 0.744 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -168.8 | 146.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 153 | E | 46.2 | Very low | 45.4 | Very low | 147 Ų | 147 | 85.9 Ų | 85.9 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | trans | -91.5 | 128.2 | -179.6 | -68.6 | 179.7 | 133.3 | 0 | 0 | 111.4 | ||||
| 154 | D | 42.5 | Very low | 45.6 | Very low | 125 Ų | 125 | 89.1 Ų | 89.1 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | trans | -138 | 108 | 156.8 | -85.1 | -45.4 | 0 | 0 | 0 | 108 | I156 N157 T158 | D154-I156 PolarHBondContact O-N 3.36Å; D154-N157 HydrophobicContact CB-CB 4.39Å; D154-N157 PolarHBondContact O-N 3.32Å; D154-T158 PolarHBondContact O-N 3.44Å | ||
| 155 | D | 45.9 | Very low | 46 | Very low | 116 Ų | 116 | 87.5 Ų | 87.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.8 | -31.4 | -171.3 | -79.4 | -55.4 | 0 | 0 | 0 | 114.3 | N157 T158 V159 | D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 2.96Å; D155-T158 PolarHBondContact O-N 3.34Å; D155-V159 PolarHBondContact O-N 3.13Å |
| 156 | I | 46.2 | Very low | 46.3 | Very low | 153 Ų | 153 | 85.7 Ų | 85.7 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -35.2 | 176.7 | -82.3 | 169.4 | 0 | 0 | 0 | 111.7 | D154 A160 | D154-I156 PolarHBondContact O-N 3.36Å; I156-A160 WeakPolarHBondContact O-CB 3.47Å; I156-A160 PolarHBondContact O-N 2.95Å; I156-A160 VanDerWaalsContact O-N 3.13Å |
| 157 | N | 46.3 | Very low | 46.7 | Very low | 116 Ų | 116 | 86.6 Ų | 86.6 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.8 | -27.4 | -177.6 | -147.8 | 18.5 | 0 | 0 | 0 | 111.4 | D154 D155 A161 | D154-N157 HydrophobicContact CB-CB 4.39Å; D154-N157 PolarHBondContact O-N 3.32Å; D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 2.96Å; N157-A161 WeakPolarHBondContact O-CB 3.3Å; N157-A161 PolarHBondContact O-N 2.88Å |
| 158 | T | 49.9 | Very low | 47.3 | Very low | 57 Ų | 57 | 87.2 Ų | 87.2 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.3 | -39 | 176 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | D154 D155 G162 | D154-T158 PolarHBondContact O-N 3.44Å; D155-T158 PolarHBondContact O-N 3.34Å; T158-G162 PolarHBondContact O-N 2.85Å |
| 159 | V | 46.7 | Very low | 48 | Very low | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.6 | -42.5 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | D155 T163 L186 | D155-V159 PolarHBondContact O-N 3.13Å; V159-T163 WeakPolarHBondContact O-CB 3.42Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 3.28Å; V159-T163 PolarHBondContact O-OG1 3.37Å; V159-L186 HydrophobicContact CG1-CD2 4.04Å |
| 160 | A | 53.5 | Low | 48.5 | Very low | 47 Ų | 47 | 83.8 Ų | 83.8 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I156 T163 L164 | I156-A160 WeakPolarHBondContact O-CB 3.47Å; I156-A160 PolarHBondContact O-N 2.95Å; I156-A160 VanDerWaalsContact O-N 3.13Å; A160-T163 WeakPolarHBondContact CA-OG1 3.08Å; A160-T163 PolarHBondContact O-OG1 2.66Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.33Å |
| 161 | A | 51.1 | Low | 48.4 | Very low | 50 Ų | 50 | 81.4 Ų | 81.4 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N157 T165 | N157-A161 WeakPolarHBondContact O-CB 3.3Å; N157-A161 PolarHBondContact O-N 2.88Å; A161-T165 WeakPolarHBondContact O-CB 3.29Å; A161-T165 PolarHBondContact O-N 2.9Å; A161-T165 PolarHBondContact O-OG1 3.38Å |
| 162 | G | 53.7 | Low | 48.9 | Very low | 28 Ų | 28 | 83.3 Ų | 83.3 | 29% | 0.289 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T158 G166 | T158-G162 PolarHBondContact O-N 2.85Å; G162-G166 PolarHBondContact O-N 2.8Å |
| 163 | T | 54.8 | Low | 49.3 | Very low | 25 Ų | 25 | 82.2 Ų | 82.2 | 15% | 0.153 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -75.1 | -45.2 | 176.3 | 43.6 | 0 | 0 | 0 | 0 | 113.3 | V159 A160 T165 G166 M167 L186 | V159-T163 WeakPolarHBondContact O-CB 3.42Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 3.28Å; V159-T163 PolarHBondContact O-OG1 3.37Å; A160-T163 WeakPolarHBondContact CA-OG1 3.08Å; A160-T163 PolarHBondContact O-OG1 2.66Å; T163-T165 VanDerWaalsContact C-N 3.27Å; T163-T165 PolarHBondContact O-N 2.89Å; T163-G166 PolarHBondContact O-N 3.41Å; T163-M167 WeakPolarHBondContact O-CG 3.48Å; T163-M167 PolarHBondContact O-N 2.8Å; T163-L186 HydrophobicContact CG2-CB 4.04Å; T163-L186 HydrophobicContact CG2-CD1 4.5Å; T163-L186 HydrophobicContact CG2-CD2 3.34Å; T163-L186 HydrophobicContact CG2-CG 3.29Å |
| 164 | L | 54.3 | Low | 49.2 | Very low | 107 Ų | 107 | 77.1 Ų | 77.1 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.7 | -37.3 | 177.1 | -165.7 | 147.9 | 0 | 0 | 0 | 110.7 | A160 M167 L168 | A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.33Å; L164-M167 PolarHBondContact O-N 3.47Å; L164-L168 HydrophobicContact CD2-CD1 3.47Å; L164-L168 VanDerWaalsContact CD2-CD1 3.47Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 2.93Å |
| 165 | T | 53.1 | Low | 49.2 | Very low | 39 Ų | 39 | 78.7 Ų | 78.7 | 24% | 0.239 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 170.3 | -73.6 | 0 | 0 | 0 | 0 | 112.9 | F142 A161 T163 M167 L168 F169 | F142-T165 HydrophobicContact CD1-CG2 3.76Å; F142-T165 HydrophobicContact CD2-CG2 4Å; F142-T165 HydrophobicContact CE1-CG2 3.11Å; F142-T165 HydrophobicContact CE2-CG2 3.36Å; F142-T165 HydrophobicContact CG-CG2 4.22Å; F142-T165 HydrophobicContact CZ-CG2 2.94Å; A161-T165 WeakPolarHBondContact O-CB 3.29Å; A161-T165 PolarHBondContact O-N 2.9Å; A161-T165 PolarHBondContact O-OG1 3.38Å; T163-T165 VanDerWaalsContact C-N 3.27Å; T163-T165 PolarHBondContact O-N 2.89Å; T165-M167 VanDerWaalsContact C-N 3.29Å; T165-M167 PolarHBondContact O-N 3.47Å; T165-L168 PolarHBondContact O-N 2.98Å; T165-F169 PolarHBondContact O-N 3.45Å |
| 166 | G | 51.7 | Low | 48.8 | Very low | 15 Ų | 15 | 82 Ų | 82 | 16% | 0.155 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G162 T163 G181 | G162-G166 PolarHBondContact O-N 2.8Å; T163-G166 PolarHBondContact O-N 3.41Å; G166-G181 VanDerWaalsContact C-C 3.5Å; G166-G181 CarbonylContact O-C 3.29Å; G166-G181 VanDerWaalsContact O-C 3.29Å; G166-G181 WeakPolarHBondContact O-CA 3.27Å |
| 167 | M | 52.4 | Low | 48.7 | Very low | 99 Ų | 99 | 76 Ų | 76 | 49% | 0.488 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -46.8 | 172.3 | -73.8 | -170.7 | -172.4 | 0 | 0 | 112 | T163 L164 T165 K170 S171 | T163-M167 WeakPolarHBondContact O-CG 3.48Å; T163-M167 PolarHBondContact O-N 2.8Å; L164-M167 PolarHBondContact O-N 3.47Å; T165-M167 VanDerWaalsContact C-N 3.29Å; T165-M167 PolarHBondContact O-N 3.47Å; M167-K170 PolarHBondContact O-N 3.31Å; M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 2.88Å; M167-S171 VanDerWaalsContact O-N 3.08Å |
| 168 | L | 55 | Low | 48.6 | Very low | 110 Ų | 110 | 71 Ų | 71 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | -177.5 | -80.9 | 178.4 | 0 | 0 | 0 | 112.4 | L164 T165 K170 S171 | L164-L168 HydrophobicContact CD2-CD1 3.47Å; L164-L168 VanDerWaalsContact CD2-CD1 3.47Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 2.93Å; T165-L168 PolarHBondContact O-N 2.98Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.45Å; L168-S171 WeakPolarHBondContact O-CB 3.16Å; L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-N 3.16Å |
| 169 | F | 50.9 | Low | 48.7 | Very low | 92 Ų | 92 | 71 Ų | 71 | 40% | 0.404 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | -178.5 | -172.8 | -94.2 | 0 | 0 | 0 | 112.9 | L138 T165 S171 | L138-F169 HydrophobicContact CD1-CB 4.24Å; L138-F169 HydrophobicContact CD1-CD1 3.02Å; L138-F169 HydrophobicContact CD1-CD2 3.6Å; L138-F169 HydrophobicContact CD1-CE1 2.98Å; L138-F169 HydrophobicContact CD1-CE2 3.54Å; L138-F169 HydrophobicContact CD1-CG 3.3Å; L138-F169 HydrophobicContact CD1-CZ 3.2Å; L138-F169 HydrophobicContact CD2-CB 4.32Å; L138-F169 HydrophobicContact CD2-CD1 4.21Å; L138-F169 HydrophobicContact CD2-CD2 2.97Å; L138-F169 HydrophobicContact CD2-CE1 4.28Å; L138-F169 HydrophobicContact CD2-CE2 3.03Å; L138-F169 HydrophobicContact CD2-CG 3.56Å; L138-F169 HydrophobicContact CD2-CZ 3.7Å; L138-F169 HydrophobicContact CG-CD1 3.95Å; L138-F169 HydrophobicContact CG-CD2 3.56Å; L138-F169 HydrophobicContact CG-CE1 3.72Å; L138-F169 HydrophobicContact CG-CE2 3.27Å; L138-F169 HydrophobicContact CG-CG 3.83Å; L138-F169 HydrophobicContact CG-CZ 3.31Å; T165-F169 PolarHBondContact O-N 3.45Å; F169-S171 VanDerWaalsContact C-N 3.34Å |
| 170 | K | 49.3 | Very low | 48.9 | Very low | 101 Ų | 101 | 78.2 Ų | 78.2 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 8.1 | 178.6 | -144 | 103.2 | 167.8 | -174.5 | 0 | 113 | M167 L168 S177 A178 | M167-K170 PolarHBondContact O-N 3.31Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.45Å; K170-S177 WeakPolarHBondContact CB-O 3.27Å; K170-S177 VanDerWaalsContact CG-O 3.24Å; K170-S177 WeakPolarHBondContact CG-O 3.49Å; K170-S177 CarbonylContact O-C 3.5Å; K170-S177 WeakPolarHBondContact O-CB 3.29Å; K170-S177 PolarHBondContact O-OG 2.8Å; K170-A178 PolarHBondContact O-N 3.49Å |
| 171 | S | 42.3 | Very low | 48.9 | Very low | 62 Ų | 62 | 76.4 Ų | 76.4 | 43% | 0.434 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -69 | -33.5 | 179 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | M167 L168 F169 G173 G174 | M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 2.88Å; M167-S171 VanDerWaalsContact O-N 3.08Å; L168-S171 WeakPolarHBondContact O-CB 3.16Å; L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-N 3.16Å; F169-S171 VanDerWaalsContact C-N 3.34Å; S171-G173 PolarHBondContact O-N 3.47Å; S171-G174 PolarHBondContact O-N 2.99Å |
| 172 | S | 47.3 | Very low | 48.9 | Very low | 124 Ų | 124 | 74.2 Ų | 74.2 | 87% | 0.867 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -65.5 | -8.1 | -179.5 | -44.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 173 | G | 43.2 | Very low | 49.1 | Very low | 67 Ų | 67 | 78.5 Ų | 78.5 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -104.5 | 3.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S171 S177 | S171-G173 PolarHBondContact O-N 3.47Å; G173-S177 VanDerWaalsContact CA-OG 3.3Å; G173-S177 WeakPolarHBondContact CA-OG 3.46Å; G173-S177 PolarHBondContact O-OG 2.97Å |
| 174 | G | 43.1 | Very low | 49.2 | Very low | 39 Ų | 39 | 81.8 Ų | 81.8 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | trans | 105 | 174.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | S171 K176 S177 A178 | S171-G174 PolarHBondContact O-N 2.99Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 2.87Å; G174-S177 PolarHBondContact N-OG 2.8Å; G174-S177 PolarHBondContact O-N 2.79Å; G174-S177 PolarHBondContact O-OG 2.82Å; G174-A178 PolarHBondContact O-N 2.9Å | ||
| 175 | L | 41.8 | Very low | 49.3 | Very low | 158 Ų | 158 | 77.4 Ų | 77.4 | 83% | 0.827 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.5 | -33.7 | -172 | -161.4 | 69.1 | 0 | 0 | 0 | 113.6 | A179 | L175-A179 PolarHBondContact O-N 3.21Å |
| 176 | K | 38.1 | Very low | 49.5 | Very low | 187 Ų | 187 | 79.6 Ų | 79.6 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.2 | -32.4 | 178.1 | -66.6 | -177.3 | -176 | 180 | 0 | 112.6 | G174 R180 | G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 2.87Å; K176-R180 PolarHBondContact O-N 3.28Å |
| 177 | S | 44.2 | Very low | 49.7 | Very low | 25 Ų | 25 | 82 Ų | 82 | 18% | 0.175 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -76.4 | -39 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | K170 G173 G174 A179 R180 G181 | K170-S177 WeakPolarHBondContact CB-O 3.27Å; K170-S177 VanDerWaalsContact CG-O 3.24Å; K170-S177 WeakPolarHBondContact CG-O 3.49Å; K170-S177 CarbonylContact O-C 3.5Å; K170-S177 WeakPolarHBondContact O-CB 3.29Å; K170-S177 PolarHBondContact O-OG 2.8Å; G173-S177 VanDerWaalsContact CA-OG 3.3Å; G173-S177 WeakPolarHBondContact CA-OG 3.46Å; G173-S177 PolarHBondContact O-OG 2.97Å; G174-S177 PolarHBondContact N-OG 2.8Å; G174-S177 PolarHBondContact O-N 2.79Å; G174-S177 PolarHBondContact O-OG 2.82Å; S177-A179 VanDerWaalsContact C-N 3.32Å; S177-A179 PolarHBondContact O-N 2.8Å; S177-R180 PolarHBondContact O-N 3.09Å; S177-G181 PolarHBondContact O-N 3.22Å |
| 178 | A | 44.9 | Very low | 50 | Low | 13 Ų | 13 | 81.9 Ų | 81.9 | 11% | 0.107 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | K170 G174 G181 G182 | K170-A178 PolarHBondContact O-N 3.49Å; G174-A178 PolarHBondContact O-N 2.9Å; A178-G181 PolarHBondContact O-N 3.24Å; A178-G182 PolarHBondContact O-N 3Å |
| 179 | A | 51 | Low | 49.9 | Very low | 57 Ų | 57 | 77.5 Ų | 77.5 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L175 S177 G182 L183 | L175-A179 PolarHBondContact O-N 3.21Å; S177-A179 VanDerWaalsContact C-N 3.32Å; S177-A179 PolarHBondContact O-N 2.8Å; A179-G182 PolarHBondContact O-N 2.75Å; A179-L183 PolarHBondContact O-N 2.99Å |
| 180 | R | 52.3 | Low | 50.1 | Low | 197 Ų | 197 | 74.6 Ų | 74.6 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.2 | -37.2 | 174.7 | -91.2 | 178.7 | 166.3 | 171.7 | -3.9 | 112.7 | K176 S177 L183 V184 | K176-R180 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 3.09Å; R180-L183 PolarHBondContact O-N 3.04Å; R180-V184 WeakPolarHBondContact O-CG2 3.28Å; R180-V184 PolarHBondContact O-N 3.09Å |
| 181 | G | 51.5 | Low | 50.5 | Low | 10 Ų | 10 | 72.8 Ų | 72.8 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G166 S177 A178 V184 G185 | G166-G181 VanDerWaalsContact C-C 3.5Å; G166-G181 CarbonylContact O-C 3.29Å; G166-G181 VanDerWaalsContact O-C 3.29Å; G166-G181 WeakPolarHBondContact O-CA 3.27Å; S177-G181 PolarHBondContact O-N 3.22Å; A178-G181 PolarHBondContact O-N 3.24Å; G181-V184 PolarHBondContact O-N 3.24Å; G181-G185 PolarHBondContact O-N 3.15Å |
| 182 | G | 51.4 | Low | 51 | Low | 3 Ų | 3 | 76.5 Ų | 76.5 | 3% | 0.031 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A178 A179 G185 L186 | A178-G182 PolarHBondContact O-N 3Å; A179-G182 PolarHBondContact O-N 2.75Å; G182-G185 PolarHBondContact O-N 3.23Å; G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 3.15Å |
| 183 | L | 57.5 | Low | 51.4 | Low | 118 Ų | 118 | 72.5 Ų | 72.5 | 62% | 0.618 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | 175.8 | -86.9 | -171.6 | 0 | 0 | 0 | 113.2 | A179 R180 G185 L186 A187 | A179-L183 PolarHBondContact O-N 2.99Å; R180-L183 PolarHBondContact O-N 3.04Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-L186 PolarHBondContact O-N 2.78Å; L183-A187 WeakPolarHBondContact O-CB 3.18Å; L183-A187 PolarHBondContact O-N 3.49Å |
| 184 | V | 57.5 | Low | 52 | Low | 95 Ų | 95 | 74.3 Ų | 74.3 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.5 | -38.6 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | R180 G181 A187 V188 | R180-V184 WeakPolarHBondContact O-CG2 3.28Å; R180-V184 PolarHBondContact O-N 3.09Å; G181-V184 PolarHBondContact O-N 3.24Å; V184-A187 PolarHBondContact O-N 2.97Å; V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CB 3.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.22Å |
| 185 | G | 56.3 | Low | 52.7 | Low | 15 Ų | 15 | 80.9 Ų | 80.9 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G181 G182 L183 S189 | G181-G185 PolarHBondContact O-N 3.15Å; G182-G185 PolarHBondContact O-N 3.23Å; L183-G185 VanDerWaalsContact C-N 3.32Å; G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 3.43Å; G185-S189 PolarHBondContact O-OG 3.26Å; G185-S189 VanDerWaalsContact O-OG 3.12Å |
| 186 | L | 56.9 | Low | 53.5 | Low | 84 Ų | 84 | 76.8 Ų | 76.8 | 44% | 0.44 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 174.1 | -101.1 | -171.7 | 0 | 0 | 0 | 112.6 | V159 T163 G182 L183 S189 G190 | V159-L186 HydrophobicContact CG1-CD2 4.04Å; T163-L186 HydrophobicContact CG2-CB 4.04Å; T163-L186 HydrophobicContact CG2-CD1 4.5Å; T163-L186 HydrophobicContact CG2-CD2 3.34Å; T163-L186 HydrophobicContact CG2-CG 3.29Å; G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 3.15Å; L183-L186 PolarHBondContact O-N 2.78Å; L186-S189 PolarHBondContact O-OG 3.2Å; L186-G190 VanDerWaalsContact O-CA 3.31Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 2.94Å |
| 187 | A | 57.7 | Low | 54.3 | Low | 65 Ų | 65 | 71.6 Ų | 71.6 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L183 V184 A191 | L183-A187 WeakPolarHBondContact O-CB 3.18Å; L183-A187 PolarHBondContact O-N 3.49Å; V184-A187 PolarHBondContact O-N 2.97Å; A187-A191 VanDerWaalsContact O-CB 3.23Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.44Å |
| 188 | V | 57.8 | Low | 54.6 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.8 | -44.1 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | V184 A191 Y192 | V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CB 3.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.22Å; V188-A191 PolarHBondContact O-N 3.41Å; V188-Y192 WeakPolarHBondContact O-CB 3.39Å; V188-Y192 PolarHBondContact O-N 3.18Å |
| 189 | S | 53.7 | Low | 55 | Low | 18 Ų | 18 | 83.8 Ų | 83.8 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 176.7 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | G185 L186 Y192 A193 | G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 3.43Å; G185-S189 PolarHBondContact O-OG 3.26Å; G185-S189 VanDerWaalsContact O-OG 3.12Å; L186-S189 PolarHBondContact O-OG 3.2Å; S189-Y192 PolarHBondContact O-N 3.43Å; S189-A193 WeakPolarHBondContact O-CB 3.23Å; S189-A193 PolarHBondContact O-N 2.9Å |
| 190 | G | 55 | Low | 54.9 | Low | 31 Ų | 31 | 87.9 Ų | 87.9 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L186 Y192 A193 L194 | L186-G190 VanDerWaalsContact O-CA 3.31Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 2.94Å; G190-Y192 VanDerWaalsContact C-N 3.34Å; G190-Y192 PolarHBondContact O-N 2.99Å; G190-A193 PolarHBondContact O-N 3.35Å; G190-L194 WeakPolarHBondContact O-CB 3.29Å; G190-L194 PolarHBondContact O-N 2.87Å |
| 191 | A | 57.6 | Low | 54.5 | Low | 63 Ų | 63 | 84.4 Ų | 84.4 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A187 V188 L194 Y195 | A187-A191 VanDerWaalsContact O-CB 3.23Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.44Å; V188-A191 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 2.96Å; A191-Y195 WeakPolarHBondContact O-CB 3.24Å; A191-Y195 PolarHBondContact O-N 2.96Å |
| 192 | Y | 52.9 | Low | 54.4 | Low | 140 Ų | 140 | 88.8 Ų | 88.8 | 55% | 0.549 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 176.4 | -163.2 | -94.4 | 0 | 0 | 0 | 112.1 | V188 S189 G190 Y195 N196 | V188-Y192 WeakPolarHBondContact O-CB 3.39Å; V188-Y192 PolarHBondContact O-N 3.18Å; S189-Y192 PolarHBondContact O-N 3.43Å; G190-Y192 VanDerWaalsContact C-N 3.34Å; G190-Y192 PolarHBondContact O-N 2.99Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y192-N196 WeakPolarHBondContact CD1-ND2 3.32Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.35Å; Y192-N196 PolarHBondContact O-N 3.11Å |
| 193 | A | 54.9 | Low | 54 | Low | 40 Ų | 40 | 91.3 Ų | 91.3 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S189 G190 N197 | S189-A193 WeakPolarHBondContact O-CB 3.23Å; S189-A193 PolarHBondContact O-N 2.9Å; G190-A193 PolarHBondContact O-N 3.35Å; A193-N197 WeakPolarHBondContact O-CB 3.23Å; A193-N197 PolarHBondContact O-N 2.79Å |
| 194 | L | 56.4 | Low | 53.2 | Low | 104 Ų | 104 | 91 Ų | 91 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 177.1 | -136.5 | 106 | 0 | 0 | 0 | 112.3 | G190 A191 N197 W198 | G190-L194 WeakPolarHBondContact O-CB 3.29Å; G190-L194 PolarHBondContact O-N 2.87Å; A191-L194 PolarHBondContact O-N 2.96Å; L194-N197 PolarHBondContact O-N 3.45Å; L194-W198 HydrophobicContact CD2-CE3 4.17Å; L194-W198 HydrophobicContact CD2-CZ3 3.88Å; L194-W198 PolarHBondContact O-N 2.83Å |
| 195 | Y | 57.7 | Low | 52.6 | Low | 177 Ų | 177 | 91.6 Ų | 91.6 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -45 | 177.5 | -174.4 | -97.4 | 0 | 0 | 0 | 111.6 | A191 Y192 N197 W198 | A191-Y195 WeakPolarHBondContact O-CB 3.24Å; A191-Y195 PolarHBondContact O-N 2.96Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.1Å; Y195-W198 WeakPolarHBondContact O-CB 3.27Å; Y195-W198 PolarHBondContact O-N 3.43Å |
| 196 | N | 58.5 | Low | 51.9 | Low | 73 Ų | 73 | 96.3 Ų | 96.3 | 39% | 0.39 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.5 | -28.1 | 175.8 | -69.7 | -15.9 | 0 | 0 | 0 | 113.1 | Y192 W198 | Y192-N196 WeakPolarHBondContact CD1-ND2 3.32Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.35Å; Y192-N196 PolarHBondContact O-N 3.11Å; N196-W198 VanDerWaalsContact C-N 3.35Å |
| 197 | N | 53.5 | Low | 51 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -1.6 | -179.9 | -152.3 | 50 | 0 | 0 | 0 | 113.5 | A193 L194 Y195 D199 H200 L201 | A193-N197 WeakPolarHBondContact O-CB 3.23Å; A193-N197 PolarHBondContact O-N 2.79Å; L194-N197 PolarHBondContact O-N 3.45Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.1Å; N197-D199 VanDerWaalsContact C-N 3.31Å; N197-D199 PolarHBondContact O-N 3.41Å; N197-H200 PolarHBondContact O-N 2.84Å; N197-L201 WeakPolarHBondContact O-CG 3.24Å; N197-L201 PolarHBondContact O-N 3.33Å |
| 198 | W | 50.9 | Low | 50.4 | Low | 157 Ų | 157 | 98.8 Ų | 98.8 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.1 | -29.7 | -179.9 | -154.5 | -77.8 | 0 | 0 | 0 | 112.6 | L194 Y195 N196 H200 L201 T202 | L194-W198 HydrophobicContact CD2-CE3 4.17Å; L194-W198 HydrophobicContact CD2-CZ3 3.88Å; L194-W198 PolarHBondContact O-N 2.83Å; Y195-W198 WeakPolarHBondContact O-CB 3.27Å; Y195-W198 PolarHBondContact O-N 3.43Å; N196-W198 VanDerWaalsContact C-N 3.35Å; W198-H200 VanDerWaalsContact C-N 3.33Å; W198-L201 PolarHBondContact O-N 3.45Å; W198-T202 PolarHBondContact O-N 3.43Å; W198-T202 PolarHBondContact O-OG1 2.92Å |
| 199 | D | 53.4 | Low | 49.7 | Very low | 138 Ų | 138 | 104.9 Ų | 104.9 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -32 | 172.8 | -73.6 | -53.5 | 0 | 0 | 0 | 112.1 | N197 | N197-D199 VanDerWaalsContact C-N 3.31Å; N197-D199 PolarHBondContact O-N 3.41Å |
| 200 | H | 48.8 | Very low | 49.2 | Very low | 143 Ų | 143 | 111 Ų | 111 | 66% | 0.662 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.6 | -23.2 | 178 | -66.8 | 103.9 | 0 | 0 | 0 | 113.7 | N197 W198 | N197-H200 PolarHBondContact O-N 2.84Å; W198-H200 VanDerWaalsContact C-N 3.33Å |
| 201 | L | 44.5 | Very low | 48.5 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.9 | -19.5 | -179.3 | -68.4 | 170.3 | 0 | 0 | 0 | 113.6 | N197 W198 | N197-L201 WeakPolarHBondContact O-CG 3.24Å; N197-L201 PolarHBondContact O-N 3.33Å; W198-L201 PolarHBondContact O-N 3.45Å |
| 202 | T | 48.6 | Very low | 48 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 63% | 0.632 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -88.8 | -19 | 176.3 | -46.8 | 0 | 0 | 0 | 0 | 112.1 | W198 S204 | W198-T202 PolarHBondContact O-N 3.43Å; W198-T202 PolarHBondContact O-OG1 2.92Å; T202-S204 PolarHBondContact O-N 3.24Å; T202-S204 VanDerWaalsContact O-N 3.12Å |
| 203 | G | 44.2 | Very low | 47.8 | Very low | 55 Ų | 55 | 126.2 Ų | 126.2 | 57% | 0.567 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -79.6 | 78.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S205 | G203-S205 PolarHBondContact O-N 3.42Š|
| 204 | S | 40.3 | Very low | 47.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -53.1 | 110.4 | 170.9 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | T202 | T202-S204 PolarHBondContact O-N 3.24Å; T202-S204 VanDerWaalsContact O-N 3.12Å | ||
| 205 | S | 45 | Very low | 46.9 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -69.4 | 144.8 | 159.5 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | G203 S207 | G203-S205 PolarHBondContact O-N 3.42Å; S205-S207 PolarHBondContact OG-N 3.49Å | ||
| 206 | P | 41.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | -127.9 | 126.8 | 121.5 | 29.4 | -16.8 | 0 | 0 | 0 | 111.9 | |||||
| 207 | S | 38.9 | Very low | 45.4 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | 47.4 | 102.1 | 129.2 | -73.4 | 0 | 0 | 0 | 0 | 119.3 | S205 | S205-S207 PolarHBondContact OG-N 3.49Š| |||
| 208 | S | 44.2 | Very low | 44.8 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | 47.1 | 124.6 | 116.4 | 65 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 209 | R | 42.1 | Very low | 44.3 | Very low | 227 Ų | 227 | 136.2 Ų | 136.2 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | 90.9 | 121.6 | 138.2 | -85.3 | -174.3 | 175.9 | 169.7 | -0.2 | 120 | ||||
| 210 | L | 43.9 | Very low | 43.6 | Very low | 146 Ų | 146 | 136 Ų | 136 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 74.6 | 97.7 | 138.6 | -62 | 167.5 | 0 | 0 | 0 | 117.5 | ||||
| 211 | Y | 40.5 | Very low | 43.1 | Very low | 301 Ų | 301 | 135.4 Ų | 135.4 | 100% | 1.18 | 76% | 0.756 | S | S | * | * | -165.3 | 0 | 89 | -117.5 | -92.8 | 0 | 0 | 0 | 109.7 |
Retrieved 211 of 211 residues in 1124.9 ms
(Link to these results)