| 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 | 41.8 | Very low | 50.1 | Low | 236 Ų | 236 | 156.2 Ų | 156.2 | 100% | 1.163 | 82% | 0.818 | S | S | * | * | 0 | 98.7 | 0 | -74.5 | 169.6 | 141.6 | 0 | 0 | 109.1 | |||||
| 2 | P | 53.1 | Low | 50.1 | Low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 130.2 | 168.6 | 32.1 | -27.3 | 0 | 0 | 0 | 108.2 | S4 | P2-S4 PolarHBondContact O-N 3.45Š| ||
| 3 | R | 53.7 | Low | 49.5 | Very low | 238 Ų | 238 | 161.9 Ų | 161.9 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -73.4 | 111.4 | 176.6 | -69.3 | -174 | 118.2 | 87.6 | 0.2 | 108.1 | ||||
| 4 | S | 49.9 | Very low | 48.7 | Very low | 107 Ų | 107 | 163.5 Ų | 163.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -56.2 | 132.5 | 171.1 | 37.7 | 0 | 0 | 0 | 0 | 110.7 | P2 L6 | P2-S4 PolarHBondContact O-N 3.45Å; S4-L6 PolarHBondContact O-N 3.38Å | ||
| 5 | F | 50.2 | Low | 48.2 | Very low | 203 Ų | 203 | 159.1 Ų | 159.1 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -71.6 | 104 | 164.6 | -76.5 | -97 | 0 | 0 | 0 | 108.1 | V7 | F5-V7 PolarHBondContact O-N 3.42Š| ||
| 6 | L | 63 | Low | 47.6 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -86.5 | 99.5 | 157.7 | -98.6 | 161.7 | 0 | 0 | 0 | 107.3 | S4 D8 | S4-L6 PolarHBondContact O-N 3.38Å; L6-D8 PolarHBondContact O-N 3.18Å | ||
| 7 | V | 52.2 | Low | 47.3 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 76% | 0.758 | 82% | 0.824 | S | S | * | * | trans | -72.9 | 106.7 | 154.5 | 170.5 | 0 | 0 | 0 | 0 | 105.2 | F5 | F5-V7 PolarHBondContact O-N 3.42Š| ||
| 8 | D | 48 | Very low | 47.2 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -106.5 | 132.4 | 166.2 | -144.2 | -50.5 | 0 | 0 | 0 | 108.8 | L6 | L6-D8 PolarHBondContact O-N 3.18Š| ||
| 9 | S | 45 | Very low | 46.7 | Very low | 79 Ų | 79 | 153.9 Ų | 153.9 | 55% | 0.552 | 82% | 0.819 | S | S | * | * | trans | -92.8 | 157.3 | -170.9 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | L | 48.4 | Very low | 46.2 | Very low | 157 Ų | 157 | 152 Ų | 152 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | 72.3 | 108 | 156.4 | -62.1 | 148.4 | 0 | 0 | 0 | 117.5 | ||||
| 11 | I | 46.2 | Very low | 45.8 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | -140.1 | 101.8 | 114.8 | -64.5 | -164.1 | 0 | 0 | 0 | 107.9 | R13 | I11-R13 HydrophobicContact CG2-CB 4.16Å; I11-R13 HydrophobicContact CG2-CG 3.87Å | |||
| 12 | L | 49.5 | Very low | 45.6 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -78.1 | 112.1 | 154.1 | -138.5 | 88.6 | 0 | 0 | 0 | 106.2 | ||||
| 13 | R | 42.4 | Very low | 45.3 | Very low | 228 Ų | 228 | 145.4 Ų | 145.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -131.1 | 86.5 | 157.7 | -85 | -178.4 | 88.8 | 104.8 | -4.2 | 106.9 | I11 | I11-R13 HydrophobicContact CG2-CB 4.16Å; I11-R13 HydrophobicContact CG2-CG 3.87Å | ||
| 14 | E | 38.7 | Very low | 45.6 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -76.5 | 127.9 | 159.6 | -168.6 | 168.9 | 102.2 | 0 | 0 | 107.5 | ||||
| 15 | A | 41.8 | Very low | 45.8 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -108.3 | 120.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 16 | S | 37.7 | Very low | 45.6 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -164.6 | 103.1 | 157.5 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | D | 42.6 | Very low | 44.9 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -144.2 | 136.7 | 142.2 | -163.4 | -117.4 | 0 | 0 | 0 | 109.8 | ||||
| 18 | K | 46.3 | Very low | 44.9 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -92.9 | 140 | -177.2 | -80.7 | -178.9 | 170.6 | -179.4 | 0 | 109.4 | ||||
| 19 | G | 36.2 | Very low | 44.6 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 177.9 | 104.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 20 | S | 38.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 47.9 | 133.7 | 140.3 | 58.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 21 | E | 37.1 | Very low | 44.3 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 64.7 | 147.6 | 151.8 | -90.8 | -145.7 | 85 | 0 | 0 | 117.3 | ||||
| 22 | S | 37.2 | Very low | 44.2 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 58% | 0.58 | 79% | 0.793 | S | S | * | * | cis | -169.8 | 154.3 | -4.6 | 39.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | S | 48 | Very low | 43.9 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 135.1 | 157.7 | -56.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 24 | P | 58.9 | Low | 44.7 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 150.7 | -179.8 | 37.5 | -31.4 | 0 | 0 | 0 | 112.3 | ||
| 25 | P | 55.2 | Low | 44.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 126.5 | 162.3 | 31.6 | -25.7 | 0 | 0 | 0 | 111.2 | ||
| 26 | L | 45 | Very low | 45 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 136.6 | 168.3 | -60.4 | 162.5 | 0 | 0 | 0 | 111.3 | ||
| 27 | F | 48.3 | Very low | 45.7 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -125.6 | 132.2 | 151.2 | -80.8 | -76.7 | 0 | 0 | 0 | 109.7 | ||||
| 28 | P | 51.8 | Low | 45.8 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -84.6 | 149 | -170.8 | 33.2 | -33.3 | 0 | 0 | 0 | 112.6 | ||||
| 29 | Y | 42.7 | Very low | 45.5 | Very low | 212 Ų | 212 | 131.6 Ų | 131.6 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -30.5 | 134.1 | 157.8 | -108.1 | -112.9 | 0 | 0 | 0 | 114.8 | V31 | Y29-V31 HydrophobicContact CD1-CG2 3.63Å; Y29-V31 HydrophobicContact CE1-CG2 3.78Å | ||
| 30 | A | 43.7 | Very low | 46.2 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -132.4 | 117.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 31 | V | 42.9 | Very low | 46.8 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 61% | 0.612 | 78% | 0.776 | S | S | * | * | trans | -93.2 | 138.7 | -178.1 | 144.6 | 0 | 0 | 0 | 0 | 109.7 | Y29 | Y29-V31 HydrophobicContact CD1-CG2 3.63Å; Y29-V31 HydrophobicContact CE1-CG2 3.78Å | ||
| 32 | H | 43.5 | Very low | 47.5 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 32.2 | 135.3 | 152.9 | -67.5 | 92.6 | 0 | 0 | 0 | 121.8 | ||||
| 33 | S | 43.6 | Very low | 48.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -160.1 | 157.2 | 114.1 | -96.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 34 | P | 59.6 | Low | 48.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | trans | -102.3 | 173.4 | -157.2 | 38.7 | -29.7 | 0 | 0 | 0 | 113.3 | ||||
| 35 | H | 40.1 | Very low | 48 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 161.8 | 116.8 | 133.1 | -78.5 | -62.5 | 0 | 0 | 0 | 111 | ||||
| 36 | H | 45.4 | Very low | 48 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -60.5 | 172.2 | 155.3 | -105.8 | -91.6 | 0 | 0 | 0 | 110 | ||||
| 37 | P | 52.2 | Low | 48.6 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | cis | -147.4 | -171.1 | 27.6 | 18.5 | 12.2 | 0 | 0 | 0 | 116.3 | ||||
| 38 | H | 45.2 | Very low | 48.6 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 104.7 | 102.2 | 157.3 | -54.1 | -64.9 | 0 | 0 | 0 | 117.4 | ||||
| 39 | G | 41.5 | Very low | 48.4 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -74.6 | 150.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 40 | L | 49.4 | Very low | 49.1 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -124.7 | 132.2 | 155.2 | -76.8 | 166.3 | 0 | 0 | 0 | 107.1 | G42 | L40-G42 PolarHBondContact O-N 3.04Š| ||
| 41 | P | 51.8 | Low | 49.6 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -81.8 | 115.8 | 177.9 | 32.3 | -28.3 | 0 | 0 | 0 | 108.5 | ||||
| 42 | G | 51.8 | Low | 50.3 | Low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -171.5 | 32.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L40 C44 | L40-G42 PolarHBondContact O-N 3.04Å; G42-C44 PolarHBondContact O-N 2.71Å | ||
| 43 | S | 50 | Low | 50.9 | Low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -89.2 | 106.2 | 178.8 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | H45 | S43-H45 PolarHBondContact O-N 3.25Å; S43-H45 PolarHBondContact O-ND1 3Å | ||
| 44 | C | 50 | Low | 51.6 | Low | 74 Ų | 74 | 132.8 Ų | 132.8 | 50% | 0.5 | 76% | 0.76 | S | S | . | * | trans | -73.1 | 108.7 | 171.1 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | G42 S46 | G42-C44 PolarHBondContact O-N 2.71Å; C44-S46 PolarHBondContact O-N 3.37Å | ||
| 45 | H | 53.9 | Low | 51.7 | Low | 181 Ų | 181 | 130.4 Ų | 130.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -70.6 | 7 | -176.5 | -71.1 | 77.3 | 0 | 0 | 0 | 114.4 | S43 R47 | S43-H45 PolarHBondContact O-N 3.25Å; S43-H45 PolarHBondContact O-ND1 3Å; H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 2.91Å; H45-R47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | S | 55 | Low | 52.6 | Low | 82 Ų | 82 | 127.3 Ų | 127.3 | 57% | 0.573 | 74% | 0.741 | S | S | * | * | trans | -90.4 | 54 | -174.2 | -164.8 | 0 | 0 | 0 | 0 | 112.7 | C44 | C44-S46 PolarHBondContact O-N 3.37Š| ||
| 47 | R | 57.6 | Low | 53.4 | Low | 218 Ų | 218 | 126.1 Ų | 126.1 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | trans | -126.3 | 74.6 | 167.2 | -61.3 | -167.7 | -153.5 | -128 | 6 | 110.4 | H45 | H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 2.91Å; H45-R47 VanDerWaalsContact O-N 3.09Å | ||
| 48 | K | 47.9 | Very low | 53.7 | Low | 208 Ų | 208 | 125.2 Ų | 125.2 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.8 | 112.3 | 154.9 | -144.8 | 161.4 | -175.2 | 173.5 | 0 | 109.5 | ||
| 49 | A | 48.4 | Very low | 54.2 | Low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 69.9 | 88.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | L51 | A49-L51 PolarHBondContact O-N 3.46Š|
| 50 | G | 57 | Low | 54.8 | Low | 89 Ų | 89 | 125.8 Ų | 125.8 | 92% | 0.918 | 74% | 0.736 | S | S | * | * | S | Bend | 70.8 | 12.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120 | |||
| 51 | L | 55.3 | Low | 54.8 | Low | 160 Ų | 160 | 122 Ų | 122 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -117 | 130.1 | 170.6 | -68.3 | 167.2 | 0 | 0 | 0 | 109 | A49 C53 | A49-L51 PolarHBondContact O-N 3.46Å; L51-C53 PolarHBondContact O-N 3.27Å | ||
| 52 | L | 57.4 | Low | 54.9 | Low | 156 Ų | 156 | 120.6 Ų | 120.6 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | -60.2 | 108.5 | -177.6 | -62.4 | 171.1 | 0 | 0 | 0 | 109.7 | F54 | L52-F54 HydrophobicContact CB-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.41Å | ||
| 53 | C | 56.4 | Low | 55 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 51% | 0.507 | 73% | 0.726 | S | S | . | * | trans | -77.6 | 109.6 | 174.2 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | L51 C55 | L51-C53 PolarHBondContact O-N 3.27Å; C53-C55 VanDerWaalsContact C-N 3.3Å; C53-C55 PolarHBondContact O-N 3.1Å; C53-C55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | F | 58.3 | Low | 54.8 | Low | 183 Ų | 183 | 129.2 Ų | 129.2 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | trans | -83.8 | 74.6 | 170.9 | -77 | -89.2 | 0 | 0 | 0 | 109.7 | L52 | L52-F54 HydrophobicContact CB-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.41Å | ||
| 55 | C | 62 | Low | 54.7 | Low | 43 Ų | 43 | 135.1 Ų | 135.1 | 29% | 0.291 | 76% | 0.755 | S | S | . | * | trans | -96.6 | 119.7 | 166.8 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | C53 L57 C58 | C53-C55 VanDerWaalsContact C-N 3.3Å; C53-C55 PolarHBondContact O-N 3.1Å; C53-C55 VanDerWaalsContact O-N 3.13Å; C55-L57 PolarHBondContact O-N 3.08Å; C55-L57 VanDerWaalsContact O-N 3.08Å; C55-C58 PolarHBondContact O-N 3.21Å; C55-C58 PolarHBondContact O-SG 3.12Å | ||
| 56 | P | 59.1 | Low | 54.3 | Low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -10.6 | -175.1 | 23.4 | -31 | 0 | 0 | 0 | 114.1 | ||
| 57 | L | 61 | Low | 53.9 | Low | 152 Ų | 152 | 133.5 Ų | 133.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -22.7 | 177.8 | -78.4 | 149.2 | 0 | 0 | 0 | 114.2 | C55 | C55-L57 PolarHBondContact O-N 3.08Å; C55-L57 VanDerWaalsContact O-N 3.08Å |
| 58 | C | 59.3 | Low | 53.6 | Low | 71 Ų | 71 | 128.7 Ų | 128.7 | 48% | 0.48 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -92.5 | -6.4 | -178.5 | 44 | 0 | 0 | 0 | 0 | 115.1 | C55 | C55-C58 PolarHBondContact O-N 3.21Å; C55-C58 PolarHBondContact O-SG 3.12Å |
| 59 | M | 55.6 | Low | 54 | Low | 170 Ų | 170 | 125 Ų | 125 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -14.7 | 177.3 | -110.5 | -174.1 | 66.7 | 0 | 0 | 114.1 | ||
| 60 | A | 52.7 | Low | 54.3 | Low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 61 | A | 51.2 | Low | 54.3 | Low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -104.1 | 22.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 62 | S | 52.9 | Low | 54.3 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -135.5 | 66 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 63 | Q | 54.9 | Low | 53.7 | Low | 187 Ų | 187 | 129.8 Ų | 129.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -147.1 | 85.1 | 162.1 | -79.9 | -153.4 | 70.4 | 0 | 0 | 111 | ||||
| 64 | L | 44.3 | Very low | 53.5 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -155.4 | 105.3 | 153.2 | -74.8 | -176.3 | 0 | 0 | 0 | 108 | ||||
| 65 | H | 48.4 | Very low | 52.9 | Low | 198 Ų | 198 | 135.3 Ų | 135.3 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -166.8 | 147.4 | 146.5 | -114.8 | -100.6 | 0 | 0 | 0 | 110.1 | ||||
| 66 | P | 45.4 | Very low | 51.9 | Low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -90 | 161.1 | -166.5 | 35.4 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 67 | S | 47.4 | Very low | 51 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -75.2 | 151.7 | -174.3 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 68 | P | 51.5 | Low | 50.3 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -112.6 | 168.1 | 151.7 | 36.6 | -24.6 | 0 | 0 | 0 | 112.7 | ||||
| 69 | P | 55.5 | Low | 50.1 | Low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -86.9 | 165.1 | -153.1 | 34.5 | -34.6 | 0 | 0 | 0 | 115.7 | ||||
| 70 | T | 53.9 | Low | 49.9 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 139.4 | -166.7 | 49.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 71 | L | 58.1 | Low | 49.5 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -134.3 | 149.1 | 146.7 | -72.4 | 179.7 | 0 | 0 | 0 | 109.3 | ||||
| 72 | P | 55.4 | Low | 49 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -85.9 | 126 | -166.7 | 33.2 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 73 | L | 45.2 | Very low | 48.4 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -108.7 | 130.1 | 172.7 | -152.8 | 83.1 | 0 | 0 | 0 | 110.2 | ||||
| 74 | L | 51.4 | Low | 48.1 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -53.9 | 139.6 | 174.8 | -94.3 | 75.1 | 0 | 0 | 0 | 112 | A76 | L74-A76 PolarHBondContact O-N 2.87Š| ||
| 75 | K | 45 | Very low | 48 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | -72.6 | 116.7 | 179.7 | -169.9 | 146.9 | 178.9 | 163.8 | 0 | 110.8 | ||||
| 76 | A | 40.7 | Very low | 47.6 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -120.6 | 114.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L74 | L74-A76 PolarHBondContact O-N 2.87Š| ||
| 77 | S | 42.2 | Very low | 47.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -85.8 | 124.4 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 78 | F | 45.8 | Very low | 47.2 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 82% | 0.82 | 82% | 0.823 | S | S | * | * | trans | -121.7 | 135.4 | 163.6 | -72.7 | -77.2 | 0 | 0 | 0 | 108.9 | ||||
| 79 | P | 53.6 | Low | 46.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 83% | 0.825 | S | S | * | * | trans | -76.3 | 153.9 | -180 | 30.7 | -33 | 0 | 0 | 0 | 112.2 | ||||
| 80 | P | 53 | Low | 46.3 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | -81.4 | 127.7 | -177.9 | 31.3 | -31.4 | 0 | 0 | 0 | 111.6 | G82 | P80-G82 PolarHBondContact O-N 3.35Š| ||
| 81 | F | 43.9 | Very low | 45.5 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -78.5 | 110.3 | 164.3 | -75.6 | -81 | 0 | 0 | 0 | 109.2 | ||||
| 82 | G | 39.4 | Very low | 44.9 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -70.2 | 128.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P80 | P80-G82 PolarHBondContact O-N 3.35Š| ||
| 83 | S | 41.3 | Very low | 44 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -86.6 | 109.8 | 174.1 | -162.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | Q | 49 | Very low | 44 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | trans | -132.9 | 89.2 | 173.4 | -79.9 | -104.1 | 13.1 | 0 | 0 | 107.6 | ||||
| 85 | Y | 42.6 | Very low | 43.2 | Very low | 236 Ų | 236 | 146.3 Ų | 146.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -139.9 | 113.6 | 158.9 | -82.1 | -73.9 | 0 | 0 | 0 | 110.8 | ||||
| 86 | C | 40 | Very low | 42.9 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -80.8 | 163 | 176 | -66 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | H | 46.1 | Very low | 42.9 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -55.1 | 152.3 | 169.3 | -66.3 | -115.3 | 0 | 0 | 0 | 112.2 | ||||
| 88 | S | 37.8 | Very low | 43 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -135.6 | 117.7 | 157.8 | -76.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 89 | A | 40.5 | Very low | 42.6 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -84.5 | 167.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 90 | L | 47.5 | Very low | 42.4 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -49.5 | 145 | -172.6 | -67.3 | 83.8 | 0 | 0 | 0 | 116.1 | ||||
| 91 | S | 36.8 | Very low | 41.8 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | -166.1 | 128.7 | 118.5 | -96.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 92 | R | 44.8 | Very low | 41.9 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -91 | 116.4 | 171.3 | -174.3 | 178.5 | -172.5 | -97.8 | -1.7 | 106.7 | H94 | R92-H94 PolarHBondContact NH2-NE2 2.89Š| ||
| 93 | Q | 38.3 | Very low | 42 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 113.4 | 169.3 | -75.1 | -96.1 | -24.4 | 0 | 0 | 107.6 | ||||
| 94 | H | 44.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 65% | 0.648 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 138 | 162.2 | -85.2 | -114.4 | 0 | 0 | 0 | 108 | R92 | R92-H94 PolarHBondContact NH2-NE2 2.89Š| ||
| 95 | S | 33.7 | Very low | 41.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -167.1 | 144.3 | 145.8 | -83.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 96 | T | 39.3 | Very low | 42.2 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 165.4 | -172.3 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 97 | S | 39.9 | Very low | 42.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 103.5 | 140.8 | 145.8 | 75.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 98 | N | 44.5 | Very low | 42.3 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -44.9 | 144.9 | 176.5 | -79.9 | -10.4 | 0 | 0 | 0 | 115.9 | ||||
| 99 | S | 38 | Very low | 42.9 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -165.5 | 138.5 | 130.2 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 100 | V | 49.5 | Very low | 42.8 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -76.1 | 148.7 | 165.6 | -76.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 101 | N | 40.9 | Very low | 42.7 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 161.3 | 114.6 | 148 | -92.3 | -55.7 | 0 | 0 | 0 | 108.2 | ||||
| 102 | L | 44.9 | Very low | 43.1 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | 74.9 | 94.1 | 71.4 | -161.5 | 62.2 | 0 | 0 | 0 | 114.4 | |||||
| 103 | S | 41.8 | Very low | 43.4 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 54.8 | 121.4 | 148.1 | 60.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 104 | H | 39.8 | Very low | 44.3 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | -165.9 | 125.1 | 116.7 | -129.1 | -111.4 | 0 | 0 | 0 | 114.3 | |||||
| 105 | A | 43.8 | Very low | 44.8 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 68.1 | 148.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 106 | P | 54 | Low | 46 | Very low | 134 Ų | 134 | 132 Ų | 132 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | -101.7 | 137 | -157.6 | 36.8 | -25.8 | 0 | 0 | 0 | 112.7 | ||||
| 107 | G | 41.5 | Very low | 46.7 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -137.8 | 101.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 108 | I | 45.5 | Very low | 47.6 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 39.4 | 108.1 | 138.4 | -55.1 | -64.6 | 0 | 0 | 0 | 116.4 | ||||
| 109 | Y | 50.2 | Low | 48.3 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 23.7 | 104 | 147.8 | -56.2 | -89.3 | 0 | 0 | 0 | 117.3 | ||||
| 110 | Q | 39.9 | Very low | 48.7 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | -164.8 | 109.9 | 125.5 | -105 | 161.7 | 69.8 | 0 | 0 | 109.2 | A112 | Q110-A112 PolarHBondContact O-N 3Š| |||
| 111 | A | 43.8 | Very low | 48.6 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | -65.4 | 86 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y113 | A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 WeakPolarHBondContact O-CD1 3.44Å; A111-Y113 VanDerWaalsContact O-CE1 3.32Å; A111-Y113 WeakPolarHBondContact O-CE1 3.26Å; A111-Y113 PolarHBondContact O-N 3.26Å | ||
| 112 | A | 46.7 | Very low | 49 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -70 | 99.4 | 164 | 0 | 0 | 0 | 0 | 0 | 106.2 | Q110 T114 | Q110-A112 PolarHBondContact O-N 3Å; A112-T114 VanDerWaalsContact C-N 3.31Å; A112-T114 PolarHBondContact O-N 3.41Å | ||
| 113 | Y | 49.9 | Very low | 49.3 | Very low | 200 Ų | 200 | 133 Ų | 133 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -55.3 | 101.3 | 162.8 | 0.8 | -91 | 0 | 0 | 0 | 106.3 | A111 V115 | A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 WeakPolarHBondContact O-CD1 3.44Å; A111-Y113 VanDerWaalsContact O-CE1 3.32Å; A111-Y113 WeakPolarHBondContact O-CE1 3.26Å; A111-Y113 PolarHBondContact O-N 3.26Å; Y113-V115 PolarHBondContact O-N 3.34Å | ||
| 114 | T | 57.3 | Low | 49.4 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -62.7 | 94 | 166 | 47.8 | 0 | 0 | 0 | 0 | 106.1 | A112 P116 | A112-T114 VanDerWaalsContact C-N 3.31Å; A112-T114 PolarHBondContact O-N 3.41Å; T114-P116 WeakPolarHBondContact O-CD 3.44Å | ||
| 115 | V | 55.5 | Low | 49.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -62.4 | 115 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | Y113 D117 | Y113-V115 PolarHBondContact O-N 3.34Å; V115-D117 PolarHBondContact O-N 2.98Å | ||
| 116 | P | 60.3 | Low | 49.6 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -62.4 | 125.9 | 175.5 | -19 | 32.9 | 0 | 0 | 0 | 108.4 | T114 P118 | T114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å; P116-P118 VanDerWaalsContact O-N 3.14Å | ||
| 117 | D | 53.3 | Low | 49.2 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 45% | 0.449 | 73% | 0.734 | S | S | . | * | trans | -56.2 | 116.7 | 175.3 | 179 | -6.8 | 0 | 0 | 0 | 109.1 | V115 R119 Q120 | V115-D117 PolarHBondContact O-N 2.98Å; D117-R119 PolarHBondContact O-N 3.4Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.33Å; D117-R119 WeakPolarHBondContact OD1-CG 3.47Å; D117-R119 PolarHBondContact OD1-N 3.13Å; D117-Q120 PolarHBondContact O-N 3.33Å | ||
| 118 | P | 59.4 | Low | 49.5 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -6.6 | -177.5 | 26.6 | -33.8 | 0 | 0 | 0 | 113.4 | P116 | P116-P118 WeakPolarHBondContact O-CD 3.33Å; P116-P118 VanDerWaalsContact O-N 3.14Å |
| 119 | R | 58.3 | Low | 49.5 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -8.4 | 179.7 | -56.1 | -176 | 77.2 | -107.6 | 2.4 | 113.5 | D117 F121 | D117-R119 PolarHBondContact O-N 3.4Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.33Å; D117-R119 WeakPolarHBondContact OD1-CG 3.47Å; D117-R119 PolarHBondContact OD1-N 3.13Å; R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.87Å |
| 120 | Q | 46 | Very low | 49.5 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -8.4 | -172.7 | -150 | 171.5 | 5.7 | 0 | 0 | 114.6 | D117 | D117-Q120 PolarHBondContact O-N 3.33Š|
| 121 | F | 46.9 | Very low | 49.5 | Very low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 10.9 | -171.7 | -71.2 | -78 | 0 | 0 | 0 | 116.5 | R119 | R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.87Å |
| 122 | H | 50.2 | Low | 49.8 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 61% | 0.611 | 74% | 0.742 | S | S | * | * | trans | -104.4 | 26.2 | -173.6 | -126 | 102.3 | 0 | 0 | 0 | 117.3 | K137 | H122-K137 PolarHBondContact CD2-NZ 2.8Å; H122-K137 VanDerWaalsContact CD2-NZ 3.33Å; H122-K137 PolarHBondContact NE2-NZ 3.05Å | ||
| 123 | C | 51.4 | Low | 50.3 | Low | 112 Ų | 112 | 142.7 Ų | 142.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -134.2 | 73 | 168.7 | 63 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 124 | I | 44.6 | Very low | 50.2 | Low | 170 Ų | 170 | 142.6 Ų | 142.6 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -133.5 | 110.6 | 148.4 | -56.1 | -179.7 | 0 | 0 | 0 | 107.8 | ||||
| 125 | S | 45.5 | Very low | 49.6 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -92.2 | 135.7 | 153.8 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 126 | I | 42.3 | Very low | 49.4 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 175.2 | 118.7 | 137.2 | -86.3 | 152.7 | 0 | 0 | 0 | 108.9 | ||||
| 127 | E | 43.9 | Very low | 49.3 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 47.1 | 118.9 | 144.4 | -60.8 | 170.6 | 123.7 | 0 | 0 | 123.7 | ||||
| 128 | N | 49.6 | Very low | 50.3 | Low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 39 | 99.9 | 133.3 | -155.2 | 55.3 | 0 | 0 | 0 | 120.8 | ||||
| 129 | N | 44.2 | Very low | 51.3 | Low | 135 Ų | 135 | 152.6 Ų | 152.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | 176.5 | 147.7 | 108.5 | -130.5 | -53.9 | 0 | 0 | 0 | 111.3 | |||||
| 130 | N | 50.4 | Low | 52.6 | Low | 164 Ų | 164 | 154.1 Ų | 154.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | 9.1 | 116.7 | 164.5 | -108.1 | 2.3 | 0 | 0 | 0 | 119.7 | ||||
| 131 | G | 39.5 | Very low | 54.6 | Low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 167.7 | 116.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | K | 51.6 | Low | 56.8 | Low | 207 Ų | 207 | 148.2 Ų | 148.2 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -52.6 | 146.7 | 176 | -75.9 | 170.3 | 173.9 | 172.4 | 0 | 111.8 | ||
| 133 | L | 57.3 | Low | 59.1 | Low | 162 Ų | 162 | 144.6 Ų | 144.6 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 102.2 | -179.1 | -83 | 95.2 | 0 | 0 | 0 | 115.2 | ||||
| 134 | Q | 46.1 | Very low | 61.4 | Low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | -176.9 | 133.4 | 126.7 | -97.6 | 167.5 | 39.8 | 0 | 0 | 111.1 | |||||
| 135 | S | 44.8 | Very low | 63.9 | Low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | 64.5 | 108.4 | 170.6 | -149.6 | 0 | 0 | 0 | 0 | 117 | K137 | S135-K137 PolarHBondContact O-N 3.42Š| ||
| 136 | S | 51.5 | Low | 66.4 | Low | 138 Ų | 138 | 138.7 Ų | 138.7 | 97% | 0.965 | 74% | 0.736 | S | S | * | * | trans | -68.9 | 57.7 | 169.5 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 137 | K | 59.4 | Low | 69.1 | Low | 144 Ų | 144 | 133.5 Ų | 133.5 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | -89.8 | 105.2 | 166.9 | -122 | 168.1 | 179.9 | 168.1 | 0 | 105.6 | H122 S135 M139 | H122-K137 PolarHBondContact CD2-NZ 2.8Å; H122-K137 VanDerWaalsContact CD2-NZ 3.33Å; H122-K137 PolarHBondContact NE2-NZ 3.05Å; S135-K137 PolarHBondContact O-N 3.42Å; K137-M139 PolarHBondContact O-N 2.92Å | ||
| 138 | R | 73.8 | Confident | 71.7 | Confident | 223 Ų | 223 | 128.1 Ų | 128.1 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | trans | -49.9 | 110.6 | 176.3 | -178.5 | -177.4 | -80.6 | 152.5 | -1.9 | 108.3 | R140 | R138-R140 PolarHBondContact O-N 3.31Š| ||
| 139 | M | 79.1 | Confident | 74 | Confident | 167 Ų | 167 | 126 Ų | 126 | 82% | 0.823 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.6 | 177.4 | -173.9 | 164.5 | 63.7 | 0 | 0 | 108.5 | K137 | K137-M139 PolarHBondContact O-N 2.92Š|
| 140 | R | 86.1 | Confident | 76.6 | Confident | 238 Ų | 238 | 121.4 Ų | 121.4 | 90% | 0.898 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 126.8 | 177 | -67.6 | -174.6 | 178 | -161.2 | 0.9 | 108 | R138 | R138-R140 PolarHBondContact O-N 3.31Š|
| 141 | T | 87.9 | Confident | 78.9 | Confident | 100 Ų | 100 | 113.6 Ų | 113.6 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 133.4 | 168.7 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 142 | A | 94.6 | Very high | 81.7 | Confident | 97 Ų | 97 | 114.2 Ų | 114.2 | 80% | 0.802 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 146.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 143 | F | 97.9 | Very high | 83.9 | Confident | 56 Ų | 56 | 111 Ų | 111 | 25% | 0.246 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -86.1 | 148 | 170.2 | -59.1 | -46.4 | 0 | 0 | 0 | 109.7 | Q147 L148 L175 Q179 W183 | F143-Q147 HydrophobicContact CB-CB 4.22Å; F143-L148 HydrophobicContact CB-CD2 3.96Å; F143-L148 HydrophobicContact CB-CG 4.14Å; F143-L148 HydrophobicContact CD2-CD2 4.15Å; F143-L175 HydrophobicContact CD1-CD1 4.11Å; F143-L175 HydrophobicContact CD1-CD2 3.78Å; F143-L175 HydrophobicContact CE1-CD1 4.04Å; F143-L175 HydrophobicContact CE1-CD2 3.71Å; F143-Q179 HydrophobicContact CE1-CB 4.21Å; F143-Q179 HydrophobicContact CE1-CG 4.34Å; F143-Q179 HydrophobicContact CZ-CB 4.01Å; F143-Q179 HydrophobicContact CZ-CG 4.31Å; F143-W183 AromaticContact CD2-CD1 3.75Å; F143-W183 HydrophobicContact CE2-CB 4.33Å; F143-W183 AromaticContact CE2-CD1 3.64Å; F143-W183 HydrophobicContact CE2-CG 4.35Å |
| 144 | T | 98.4 | Very high | 85.9 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -71 | 162 | 175.4 | 71 | 0 | 0 | 0 | 0 | 110.8 | T146 Q147 L148 | T144-T146 VanDerWaalsContact C-N 3.31Å; T144-T146 PolarHBondContact O-N 3.24Å; T144-Q147 PolarHBondContact O-N 2.75Å; T144-Q147 VanDerWaalsContact OG1-CG 3.26Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.13Å; T144-Q147 PolarHBondContact OG1-N 2.79Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.01Å; T144-L148 VanDerWaalsContact O-N 3.1Å |
| 145 | S | 97.9 | Very high | 88.4 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 63% | 0.629 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.4 | -45.1 | 177.2 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | Q147 L148 L149 | S145-Q147 VanDerWaalsContact C-N 3.34Å; S145-Q147 PolarHBondContact O-N 3.41Å; S145-L148 PolarHBondContact O-N 3.18Å; S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.04Å |
| 146 | T | 98.1 | Very high | 90.9 | Very high | 98 Ų | 98 | 96.5 Ų | 96.5 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -42 | 177.9 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | T144 L148 L149 E150 | T144-T146 VanDerWaalsContact C-N 3.31Å; T144-T146 PolarHBondContact O-N 3.24Å; T146-L148 VanDerWaalsContact C-N 3.31Å; T146-L148 PolarHBondContact O-N 3.4Å; T146-L149 PolarHBondContact O-N 2.96Å; T146-E150 PolarHBondContact O-N 3.2Å; T146-E150 VanDerWaalsContact O-N 3.12Å |
| 147 | Q | 98.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 94.8 Ų | 94.8 | 14% | 0.14 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.4 | -74.4 | 172.4 | -24.4 | 0 | 0 | 111.8 | F143 T144 S145 L151 L173 | F143-Q147 HydrophobicContact CB-CB 4.22Å; T144-Q147 PolarHBondContact O-N 2.75Å; T144-Q147 VanDerWaalsContact OG1-CG 3.26Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.13Å; T144-Q147 PolarHBondContact OG1-N 2.79Å; S145-Q147 VanDerWaalsContact C-N 3.34Å; S145-Q147 PolarHBondContact O-N 3.41Å; Q147-L151 WeakPolarHBondContact O-CB 3.4Å; Q147-L151 WeakPolarHBondContact O-CD1 3.35Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 2.87Å; Q147-L151 VanDerWaalsContact O-N 3.08Å; Q147-L173 HydrophobicContact CG-CB 4.37Å; Q147-L173 PolarHBondContact NE2-O 3.37Å |
| 148 | L | 98.4 | Very high | 95 | Very high | 61 Ų | 61 | 92.1 Ų | 92.1 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.5 | -66.5 | 173.6 | 0 | 0 | 0 | 112 | F143 T144 S145 T146 E150 L151 E152 | F143-L148 HydrophobicContact CB-CD2 3.96Å; F143-L148 HydrophobicContact CB-CG 4.14Å; F143-L148 HydrophobicContact CD2-CD2 4.15Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.01Å; T144-L148 VanDerWaalsContact O-N 3.1Å; S145-L148 PolarHBondContact O-N 3.18Å; T146-L148 VanDerWaalsContact C-N 3.31Å; T146-L148 PolarHBondContact O-N 3.4Å; L148-E150 PolarHBondContact O-N 3.21Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-E152 WeakPolarHBondContact O-CB 3.41Å; L148-E152 WeakPolarHBondContact O-CG 3.4Å; L148-E152 PolarHBondContact O-N 3.29Å |
| 149 | L | 98.4 | Very high | 96.1 | Very high | 103 Ų | 103 | 84.4 Ų | 84.4 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 178.6 | -70.9 | 172.4 | 0 | 0 | 0 | 111.8 | S145 T146 E152 R153 | S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.04Å; T146-L149 PolarHBondContact O-N 2.96Å; L149-E152 PolarHBondContact O-N 2.91Å; L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 2.69Å |
| 150 | E | 98.6 | Very high | 97 | Very high | 39 Ų | 39 | 83.2 Ų | 83.2 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178 | -73 | -59.8 | 140.6 | 0 | 0 | 112.4 | T146 L148 E152 R153 E154 Y172 L173 | T146-E150 PolarHBondContact O-N 3.2Å; T146-E150 VanDerWaalsContact O-N 3.12Å; L148-E150 PolarHBondContact O-N 3.21Å; E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.24Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE1-NE 3.2Å; E150-R153 IonicContact OE2-CZ 3.76Å; E150-R153 VanDerWaalsContact OE2-CZ 3.23Å; E150-R153 IonicContact OE2-NE 2.87Å; E150-R153 PolarHBondContact OE2-NE 3.05Å; E150-R153 IonicContact OE2-NH2 3.23Å; E150-R153 PolarHBondContact OE2-NH2 3.39Å; E150-E154 WeakPolarHBondContact O-CG 2.96Å; E150-E154 PolarHBondContact O-N 2.84Å; E150-Y172 HydrophobicContact CG-CE1 4.03Å; E150-L173 HydrophobicContact CB-CD1 4.09Å; E150-L173 HydrophobicContact CB-CD2 3.61Å; E150-L173 HydrophobicContact CB-CG 4.45Å; E150-L173 HydrophobicContact CG-CD2 3.9Å |
| 151 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 174.9 | -72.1 | 166.5 | 0 | 0 | 0 | 112.1 | Q147 L148 F155 I169 L173 L175 V180 W183 F184 | Q147-L151 WeakPolarHBondContact O-CB 3.4Å; Q147-L151 WeakPolarHBondContact O-CD1 3.35Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 2.87Å; Q147-L151 VanDerWaalsContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 3.5Å; L151-F155 VanDerWaalsContact O-CB 3.32Å; L151-F155 WeakPolarHBondContact O-CB 3.32Å; L151-F155 PolarHBondContact O-N 2.75Å; L151-I169 HydrophobicContact CD2-CG2 4.03Å; L151-L173 HydrophobicContact CD1-CD1 4.47Å; L151-L173 HydrophobicContact CD2-CD1 3.86Å; L151-L173 HydrophobicContact CG-CD1 3.72Å; L151-L175 HydrophobicContact CD1-CD1 4.27Å; L151-V180 HydrophobicContact CD2-CG1 4.24Å; L151-W183 VanDerWaalsContact C-CH2 3.48Å; L151-W183 HydrophobicContact CB-CD2 3.92Å; L151-W183 HydrophobicContact CB-CE3 3.86Å; L151-W183 HydrophobicContact CB-CH2 3.61Å; L151-W183 HydrophobicContact CB-CZ2 3.65Å; L151-W183 HydrophobicContact CB-CZ3 3.72Å; L151-W183 HydrophobicContact CD1-CB 4.49Å; L151-W183 HydrophobicContact CD1-CD2 3.85Å; L151-W183 HydrophobicContact CD1-CE3 4.45Å; L151-W183 HydrophobicContact CD1-CG 3.83Å; L151-W183 HydrophobicContact CD2-CD2 4.44Å; L151-W183 HydrophobicContact CD2-CE3 4.28Å; L151-W183 HydrophobicContact CG-CD2 4.29Å; L151-W183 HydrophobicContact CG-CE3 4.42Å; L151-W183 WeakPolarHBondContact O-CH2 3.3Å; L151-W183 WeakPolarHBondContact O-CZ3 3.5Å; L151-F184 HydrophobicContact CD2-CE2 3.95Å |
| 152 | E | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 71.9 Ų | 71.9 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 176.1 | -74.5 | 173.7 | 175.6 | 0 | 0 | 112.7 | L148 L149 E150 F155 T156 W183 | L148-E152 WeakPolarHBondContact O-CB 3.41Å; L148-E152 WeakPolarHBondContact O-CG 3.4Å; L148-E152 PolarHBondContact O-N 3.29Å; L149-E152 PolarHBondContact O-N 2.91Å; E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.24Å; E152-F155 PolarHBondContact O-N 2.95Å; E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.33Å; E152-W183 HydrophobicContact CG-CH2 3.82Å; E152-W183 HydrophobicContact CG-CZ2 3.87Å |
| 153 | R | 98.5 | Very high | 98.3 | Very high | 139 Ų | 139 | 73.5 Ų | 73.5 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 172.7 | -173.7 | -179.9 | 70.4 | 89.8 | 13.2 | 110.6 | L149 E150 F155 T156 S157 | L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 2.69Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE1-NE 3.2Å; E150-R153 IonicContact OE2-CZ 3.76Å; E150-R153 VanDerWaalsContact OE2-CZ 3.23Å; E150-R153 IonicContact OE2-NE 2.87Å; E150-R153 PolarHBondContact OE2-NE 3.05Å; E150-R153 IonicContact OE2-NH2 3.23Å; E150-R153 PolarHBondContact OE2-NH2 3.39Å; R153-F155 PolarHBondContact O-N 3.48Å; R153-T156 PolarHBondContact O-N 2.74Å; R153-S157 PolarHBondContact O-N 3.16Å |
| 154 | E | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 76.6 Ų | 76.6 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.8 | -68.6 | -63.5 | 145.1 | 0 | 0 | 112.5 | E150 T156 S157 N158 R165 I169 F184 | E150-E154 WeakPolarHBondContact O-CG 2.96Å; E150-E154 PolarHBondContact O-N 2.84Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.02Å; E154-S157 WeakPolarHBondContact O-CB 3.33Å; E154-S157 PolarHBondContact O-N 2.99Å; E154-N158 PolarHBondContact O-N 3.09Å; E154-R165 IonicContact OE1-CZ 3.75Å; E154-R165 IonicContact OE1-NH2 2.69Å; E154-R165 PolarHBondContact OE1-NH2 3.44Å; E154-R165 IonicContact OE2-CZ 3.31Å; E154-R165 VanDerWaalsContact OE2-CZ 3.31Å; E154-R165 IonicContact OE2-NE 2.95Å; E154-R165 PolarHBondContact OE2-NE 3.11Å; E154-R165 IonicContact OE2-NH2 2.84Å; E154-R165 PolarHBondContact OE2-NH2 2.91Å; E154-I169 HydrophobicContact CB-CD1 3.96Å; E154-I169 HydrophobicContact CG-CD1 3.69Å; E154-I169 HydrophobicContact CG-CG1 4.09Å; E154-F184 HydrophobicContact CB-CZ 4.07Å |
| 155 | F | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 77.2 Ų | 77.2 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.2 | -176.1 | -96.3 | 0 | 0 | 0 | 113 | L151 E152 R153 N158 M159 W183 F184 R187 R188 H191 | L151-F155 VanDerWaalsContact O-CB 3.32Å; L151-F155 WeakPolarHBondContact O-CB 3.32Å; L151-F155 PolarHBondContact O-N 2.75Å; E152-F155 PolarHBondContact O-N 2.95Å; R153-F155 PolarHBondContact O-N 3.48Å; F155-N158 CarbonylContact O-C 3.22Å; F155-M159 HydrophobicContact CD2-CB 4.45Å; F155-M159 HydrophobicContact CE1-CE 3.8Å; F155-M159 HydrophobicContact CE1-CG 4.04Å; F155-M159 HydrophobicContact CE2-CB 3.93Å; F155-M159 HydrophobicContact CE2-CE 4.28Å; F155-M159 HydrophobicContact CE2-CG 4.19Å; F155-M159 HydrophobicContact CZ-CB 4.07Å; F155-M159 HydrophobicContact CZ-CE 3.35Å; F155-M159 HydrophobicContact CZ-CG 3.87Å; F155-M159 HydrophobicContact CZ-SD 4.46Å; F155-M159 PolarHBondContact O-N 3.14Å; F155-W183 HydrophobicContact CB-CH2 4.34Å; F155-W183 HydrophobicContact CB-CZ3 4.09Å; F155-W183 HydrophobicContact CD2-CZ3 4.42Å; F155-W183 HydrophobicContact CG-CZ3 4.49Å; F155-F184 HydrophobicContact CB-CE1 4.2Å; F155-F184 HydrophobicContact CB-CZ 4.33Å; F155-F184 AromaticContact CD2-CD1 3.9Å; F155-F184 HydrophobicContact CD2-CD1 3.9Å; F155-F184 AromaticContact CD2-CE1 3.9Å; F155-F184 HydrophobicContact CD2-CE1 3.9Å; F155-R187 HydrophobicContact CB-CG 4.49Å; F155-R187 HydrophobicContact CD1-CG 3.78Å; F155-R187 HydrophobicContact CD2-CB 4.09Å; F155-R187 HydrophobicContact CD2-CG 3.56Å; F155-R187 HydrophobicContact CE1-CG 3.77Å; F155-R187 HydrophobicContact CE2-CB 3.97Å; F155-R187 HydrophobicContact CE2-CG 3.55Å; F155-R187 HydrophobicContact CG-CG 3.66Å; F155-R187 HydrophobicContact CZ-CB 4.39Å; F155-R187 HydrophobicContact CZ-CG 3.64Å; F155-R188 HydrophobicContact CE2-CG 3.66Å; F155-R188 HydrophobicContact CZ-CG 4.08Å; F155-H191 HydrophobicContact CE1-CB 4.3Å; F155-H191 HydrophobicContact CZ-CB 4.14Å |
| 156 | T | 97.9 | Very high | 98.3 | Very high | 122 Ų | 122 | 75.6 Ų | 75.6 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.8 | -37.6 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111 | E152 R153 E154 | E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.33Å; R153-T156 PolarHBondContact O-N 2.74Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.02Å |
| 157 | S | 98.1 | Very high | 98.4 | Very high | 102 Ų | 102 | 74 Ų | 74 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.9 | -48.1 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 112 | R153 E154 | R153-S157 PolarHBondContact O-N 3.16Å; E154-S157 WeakPolarHBondContact O-CB 3.33Å; E154-S157 PolarHBondContact O-N 2.99Å |
| 158 | N | 97.8 | Very high | 98.4 | Very high | 88 Ų | 88 | 77.4 Ų | 77.4 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | trans | -150.6 | 118.4 | 176.3 | -171.8 | -11.7 | 0 | 0 | 0 | 111.4 | E154 F155 Y160 F184 | E154-N158 PolarHBondContact O-N 3.09Å; F155-N158 CarbonylContact O-C 3.22Å; N158-Y160 PolarHBondContact ND2-O 3.45Å; N158-Y160 PolarHBondContact O-N 3.32Å; N158-Y160 PolarHBondContact OD1-N 3.37Å; N158-Y160 PolarHBondContact OD1-O 2.91Å; N158-F184 WeakPolarHBondContact O-CE1 3.31Å | ||
| 159 | M | 97.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 74.8 Ų | 74.8 | 30% | 0.3 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -67 | -10.4 | -179.7 | -60 | 179.9 | 78.7 | 0 | 0 | 113.8 | F155 R188 H191 | F155-M159 HydrophobicContact CD2-CB 4.45Å; F155-M159 HydrophobicContact CE1-CE 3.8Å; F155-M159 HydrophobicContact CE1-CG 4.04Å; F155-M159 HydrophobicContact CE2-CB 3.93Å; F155-M159 HydrophobicContact CE2-CE 4.28Å; F155-M159 HydrophobicContact CE2-CG 4.19Å; F155-M159 HydrophobicContact CZ-CB 4.07Å; F155-M159 HydrophobicContact CZ-CE 3.35Å; F155-M159 HydrophobicContact CZ-CG 3.87Å; F155-M159 HydrophobicContact CZ-SD 4.46Å; F155-M159 PolarHBondContact O-N 3.14Å; M159-R188 WeakPolarHBondContact O-CD 3.37Å; M159-H191 HydrophobicContact CE-CB 4.12Å; M159-H191 VanDerWaalsContact CE-ND1 3.31Å; M159-H191 WeakPolarHBondContact CE-ND1 3.49Å |
| 160 | Y | 98.4 | Very high | 98.4 | Very high | 142 Ų | 142 | 70.1 Ų | 70.1 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -133.2 | 126.1 | -177.7 | -64.7 | -99.4 | 0 | 0 | 0 | 111.2 | N158 | N158-Y160 PolarHBondContact ND2-O 3.45Å; N158-Y160 PolarHBondContact O-N 3.32Å; N158-Y160 PolarHBondContact OD1-N 3.37Å; N158-Y160 PolarHBondContact OD1-O 2.91Å |
| 161 | L | 98.3 | Very high | 98.4 | Very high | 30 Ų | 30 | 73 Ų | 73 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | trans | -91.8 | 134.9 | 179.8 | -61.1 | -179.7 | 0 | 0 | 0 | 112.9 | R165 R166 I169 V180 F184 | L161-R165 HydrophobicContact CD2-CG 3.9Å; L161-R166 HydrophobicContact CB-CB 4.39Å; L161-R166 HydrophobicContact CD1-CB 4.39Å; L161-R166 HydrophobicContact CD1-CG 4.5Å; L161-I169 HydrophobicContact CD1-CD1 3.87Å; L161-I169 HydrophobicContact CD2-CD1 3.66Å; L161-I169 HydrophobicContact CG-CD1 4.42Å; L161-V180 HydrophobicContact CD1-CG1 3.54Å; L161-F184 HydrophobicContact CD1-CD1 4.15Å; L161-F184 HydrophobicContact CD1-CD2 3.64Å; L161-F184 HydrophobicContact CD1-CE1 3.99Å; L161-F184 HydrophobicContact CD1-CE2 3.49Å; L161-F184 VanDerWaalsContact CD1-CE2 3.49Å; L161-F184 HydrophobicContact CD1-CG 3.98Å; L161-F184 HydrophobicContact CD1-CZ 3.68Å; L161-F184 HydrophobicContact CD2-CD1 4.4Å; L161-F184 HydrophobicContact CD2-CE1 3.68Å; L161-F184 HydrophobicContact CD2-CE2 4.36Å; L161-F184 HydrophobicContact CD2-CZ 3.67Å; L161-F184 HydrophobicContact CG-CD1 3.77Å; L161-F184 HydrophobicContact CG-CD2 4.2Å; L161-F184 HydrophobicContact CG-CE1 3.54Å; L161-F184 HydrophobicContact CG-CE2 4.02Å; L161-F184 HydrophobicContact CG-CG 4.1Å; L161-F184 HydrophobicContact CG-CZ 3.69Å | ||
| 162 | S | 98.4 | Very high | 98.4 | Very high | 69 Ų | 69 | 80.4 Ų | 80.4 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | trans | -68.1 | 167.7 | 162.8 | 75.5 | 0 | 0 | 0 | 0 | 111.2 | R165 R166 | S162-R165 WeakPolarHBondContact OG-CB 3.47Å; S162-R165 PolarHBondContact OG-N 2.93Å; S162-R166 WeakPolarHBondContact O-CB 3.34Å; S162-R166 PolarHBondContact O-N 2.99Å; S162-R166 VanDerWaalsContact O-N 3.1Å | ||
| 163 | R | 98.4 | Very high | 98.4 | Very high | 132 Ų | 132 | 77 Ų | 77 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 178 | 178.8 | 67.4 | -178.7 | 91.5 | -8.7 | 111.5 | I167 E177 | R163-I167 WeakPolarHBondContact O-CG1 3.16Å; R163-I167 PolarHBondContact O-N 3.5Å; R163-E177 IonicContact CZ-OE1 3.25Å; R163-E177 VanDerWaalsContact CZ-OE1 3.25Å; R163-E177 IonicContact CZ-OE2 3.08Å; R163-E177 IonicContact NE-OE2 3.88Å; R163-E177 IonicContact NH1-OE1 2.87Å; R163-E177 PolarHBondContact NH1-OE1 3.04Å; R163-E177 IonicContact NH1-OE2 2.75Å; R163-E177 PolarHBondContact NH1-OE2 3.1Å; R163-E177 IonicContact NH2-OE1 2.81Å; R163-E177 PolarHBondContact NH2-OE1 3.06Å; R163-E177 IonicContact NH2-OE2 3.24Å; R163-E177 PolarHBondContact NH2-OE2 3.19Å |
| 164 | L | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 77.5 Ų | 77.5 | 63% | 0.628 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.4 | -49.5 | -178.5 | -64.6 | 178.8 | 0 | 0 | 0 | 111 | R166 I167 E168 | L164-R166 PolarHBondContact O-N 3.32Å; L164-I167 HydrophobicContact CD2-CD1 4.47Å; L164-I167 WeakPolarHBondContact O-CB 3.49Å; L164-I167 PolarHBondContact O-N 2.8Å; L164-E168 PolarHBondContact O-N 3.18Å; L164-E168 VanDerWaalsContact O-N 3.14Å |
| 165 | R | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 77.8 Ų | 77.8 | 34% | 0.343 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.2 | -34.5 | 179.9 | -171.5 | 56.1 | 175.8 | 177.2 | -2.6 | 112.6 | E154 L161 S162 I167 E168 I169 | E154-R165 IonicContact OE1-CZ 3.75Å; E154-R165 IonicContact OE1-NH2 2.69Å; E154-R165 PolarHBondContact OE1-NH2 3.44Å; E154-R165 IonicContact OE2-CZ 3.31Å; E154-R165 VanDerWaalsContact OE2-CZ 3.31Å; E154-R165 IonicContact OE2-NE 2.95Å; E154-R165 PolarHBondContact OE2-NE 3.11Å; E154-R165 IonicContact OE2-NH2 2.84Å; E154-R165 PolarHBondContact OE2-NH2 2.91Å; L161-R165 HydrophobicContact CD2-CG 3.9Å; S162-R165 WeakPolarHBondContact OG-CB 3.47Å; S162-R165 PolarHBondContact OG-N 2.93Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.5Å; R165-E168 WeakPolarHBondContact CD-OE2 3.16Å; R165-E168 IonicContact CZ-OE2 3.71Å; R165-E168 IonicContact NE-OE2 3.89Å; R165-E168 IonicContact NH1-OE2 2.75Å; R165-E168 PolarHBondContact NH1-OE2 3.29Å; R165-E168 PolarHBondContact O-N 2.88Å; R165-I169 HydrophobicContact CG-CD1 3.91Å; R165-I169 HydrophobicContact CG-CG1 4.49Å; R165-I169 WeakPolarHBondContact O-CG1 3.3Å; R165-I169 PolarHBondContact O-N 2.87Å; R165-I169 VanDerWaalsContact O-N 3.09Å |
| 166 | R | 98.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 80 Ų | 80 | 21% | 0.211 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 174 | -170.7 | -169.2 | -54.8 | 167.4 | 7.5 | 112.8 | L161 S162 L164 A170 E177 V180 | L161-R166 HydrophobicContact CB-CB 4.39Å; L161-R166 HydrophobicContact CD1-CB 4.39Å; L161-R166 HydrophobicContact CD1-CG 4.5Å; S162-R166 WeakPolarHBondContact O-CB 3.34Å; S162-R166 PolarHBondContact O-N 2.99Å; S162-R166 VanDerWaalsContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.34Å; R166-A170 PolarHBondContact O-N 3.24Å; R166-E177 HydrophobicContact CG-CB 4.25Å; R166-V180 HydrophobicContact CG-CB 4.36Å; R166-V180 HydrophobicContact CG-CG1 4.23Å |
| 167 | I | 98.7 | Very high | 98.3 | Very high | 64 Ų | 64 | 77 Ų | 77 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -50.2 | 176.3 | -59.5 | 169.2 | 0 | 0 | 0 | 109.1 | R163 L164 R165 I169 A170 T171 | R163-I167 WeakPolarHBondContact O-CG1 3.16Å; R163-I167 PolarHBondContact O-N 3.5Å; L164-I167 HydrophobicContact CD2-CD1 4.47Å; L164-I167 WeakPolarHBondContact O-CB 3.49Å; L164-I167 PolarHBondContact O-N 2.8Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.5Å; I167-I169 PolarHBondContact O-N 3.14Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-A170 VanDerWaalsContact O-N 3.16Å; I167-T171 PolarHBondContact O-N 3.49Å; I167-T171 PolarHBondContact O-OG1 2.98Å; I167-T171 VanDerWaalsContact O-OG1 3.11Å |
| 168 | E | 98.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 78.4 Ų | 78.4 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.7 | -50.4 | -177.6 | -67.1 | 167.6 | -172.1 | 0 | 0 | 111.6 | L164 R165 A170 T171 Y172 | L164-E168 PolarHBondContact O-N 3.18Å; L164-E168 VanDerWaalsContact O-N 3.14Å; R165-E168 WeakPolarHBondContact CD-OE2 3.16Å; R165-E168 IonicContact CZ-OE2 3.71Å; R165-E168 IonicContact NE-OE2 3.89Å; R165-E168 IonicContact NH1-OE2 2.75Å; R165-E168 PolarHBondContact NH1-OE2 3.29Å; R165-E168 PolarHBondContact O-N 2.88Å; E168-A170 PolarHBondContact O-N 2.91Å; E168-T171 PolarHBondContact O-N 3.35Å; E168-Y172 VanDerWaalsContact O-CB 3.27Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.22Å |
| 169 | I | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 179 | -65 | 167.5 | 0 | 0 | 0 | 111.2 | L151 E154 L161 R165 I167 Y172 L173 V180 | L151-I169 HydrophobicContact CD2-CG2 4.03Å; E154-I169 HydrophobicContact CB-CD1 3.96Å; E154-I169 HydrophobicContact CG-CD1 3.69Å; E154-I169 HydrophobicContact CG-CG1 4.09Å; L161-I169 HydrophobicContact CD1-CD1 3.87Å; L161-I169 HydrophobicContact CD2-CD1 3.66Å; L161-I169 HydrophobicContact CG-CD1 4.42Å; R165-I169 HydrophobicContact CG-CD1 3.91Å; R165-I169 HydrophobicContact CG-CG1 4.49Å; R165-I169 WeakPolarHBondContact O-CG1 3.3Å; R165-I169 PolarHBondContact O-N 2.87Å; R165-I169 VanDerWaalsContact O-N 3.09Å; I167-I169 PolarHBondContact O-N 3.14Å; I169-Y172 PolarHBondContact O-N 2.92Å; I169-L173 HydrophobicContact CG2-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 WeakPolarHBondContact O-CB 3.49Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.37Å; I169-V180 HydrophobicContact CG2-CG1 4.06Å; I169-V180 HydrophobicContact CG2-CG2 4.3Å |
| 170 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 74 Ų | 74 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R166 I167 E168 N174 L175 E177 V180 | R166-A170 WeakPolarHBondContact O-CB 3.34Å; R166-A170 PolarHBondContact O-N 3.24Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-A170 VanDerWaalsContact O-N 3.16Å; E168-A170 PolarHBondContact O-N 2.91Å; A170-N174 PolarHBondContact O-N 3.04Å; A170-N174 VanDerWaalsContact O-N 3.13Å; A170-L175 CarbonylContact C-O 3.43Å; A170-L175 WeakPolarHBondContact CB-O 3.31Å; A170-L175 PolarHBondContact O-N 2.97Å; A170-L175 VanDerWaalsContact O-O 3.04Å; A170-E177 HydrophobicContact CB-CG 4.15Å; A170-V180 HydrophobicContact CB-CG2 4.06Å |
| 171 | T | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 72.7 Ų | 72.7 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.2 | -46.6 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | I167 E168 L173 N174 | I167-T171 PolarHBondContact O-N 3.49Å; I167-T171 PolarHBondContact O-OG1 2.98Å; I167-T171 VanDerWaalsContact O-OG1 3.11Å; E168-T171 PolarHBondContact O-N 3.35Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.26Å; T171-N174 PolarHBondContact O-N 2.95Å |
| 172 | Y | 98.3 | Very high | 98.4 | Very high | 155 Ų | 155 | 74.7 Ų | 74.7 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.2 | -38 | -178.4 | 178.7 | -112.7 | 0 | 0 | 0 | 113.1 | E150 E168 I169 | E150-Y172 HydrophobicContact CG-CE1 4.03Å; E168-Y172 VanDerWaalsContact O-CB 3.27Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.22Å; I169-Y172 PolarHBondContact O-N 2.92Å |
| 173 | L | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3 | -177.8 | -60.2 | -177.3 | 0 | 0 | 0 | 114.1 | Q147 E150 L151 I169 T171 L175 | Q147-L173 HydrophobicContact CG-CB 4.37Å; Q147-L173 PolarHBondContact NE2-O 3.37Å; E150-L173 HydrophobicContact CB-CD1 4.09Å; E150-L173 HydrophobicContact CB-CD2 3.61Å; E150-L173 HydrophobicContact CB-CG 4.45Å; E150-L173 HydrophobicContact CG-CD2 3.9Å; L151-L173 HydrophobicContact CD1-CD1 4.47Å; L151-L173 HydrophobicContact CD2-CD1 3.86Å; L151-L173 HydrophobicContact CG-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 WeakPolarHBondContact O-CB 3.49Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.37Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.26Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 HydrophobicContact CB-CD1 4.17Å; L173-L175 HydrophobicContact CB-CG 4.09Å; L173-L175 PolarHBondContact O-N 2.89Å |
| 174 | N | 98.3 | Very high | 98.4 | Very high | 149 Ų | 149 | 66.9 Ų | 66.9 | 80% | 0.797 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 43.3 | -171.9 | -59.5 | 99.2 | 0 | 0 | 0 | 112.9 | A170 T171 | A170-N174 PolarHBondContact O-N 3.04Å; A170-N174 VanDerWaalsContact O-N 3.13Å; T171-N174 PolarHBondContact O-N 2.95Å |
| 175 | L | 97.9 | Very high | 98.4 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | trans | -113.9 | 157.7 | 176 | -64.6 | -179.1 | 0 | 0 | 0 | 110.3 | F143 L151 A170 L173 Q179 V180 | F143-L175 HydrophobicContact CD1-CD1 4.11Å; F143-L175 HydrophobicContact CD1-CD2 3.78Å; F143-L175 HydrophobicContact CE1-CD1 4.04Å; F143-L175 HydrophobicContact CE1-CD2 3.71Å; L151-L175 HydrophobicContact CD1-CD1 4.27Å; A170-L175 CarbonylContact C-O 3.43Å; A170-L175 WeakPolarHBondContact CB-O 3.31Å; A170-L175 PolarHBondContact O-N 2.97Å; A170-L175 VanDerWaalsContact O-O 3.04Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 HydrophobicContact CB-CD1 4.17Å; L173-L175 HydrophobicContact CB-CG 4.09Å; L173-L175 PolarHBondContact O-N 2.89Å; L175-Q179 HydrophobicContact CB-CB 4.44Å; L175-V180 HydrophobicContact CB-CG2 4.1Å; L175-V180 HydrophobicContact CD1-CG2 4.44Å | ||
| 176 | S | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | trans | -73.6 | 148.1 | 167.8 | 65.6 | 0 | 0 | 0 | 0 | 111 | K178 Q179 V180 | S176-K178 PolarHBondContact O-N 3.41Å; S176-Q179 WeakPolarHBondContact O-CB 3.43Å; S176-Q179 PolarHBondContact O-N 3.37Å; S176-Q179 VanDerWaalsContact OG-CG 3.3Å; S176-Q179 WeakPolarHBondContact OG-CG 3.26Å; S176-Q179 PolarHBondContact OG-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.33Å; S176-V180 PolarHBondContact O-N 3.43Å; S176-V180 VanDerWaalsContact O-N 3.14Å | ||
| 177 | E | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 66.3 Ų | 66.3 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.8 | -34 | 172.7 | -66.7 | -171.3 | -149.1 | 0 | 0 | 112.8 | R163 R166 A170 K181 | R163-E177 IonicContact CZ-OE1 3.25Å; R163-E177 VanDerWaalsContact CZ-OE1 3.25Å; R163-E177 IonicContact CZ-OE2 3.08Å; R163-E177 IonicContact NE-OE2 3.88Å; R163-E177 IonicContact NH1-OE1 2.87Å; R163-E177 PolarHBondContact NH1-OE1 3.04Å; R163-E177 IonicContact NH1-OE2 2.75Å; R163-E177 PolarHBondContact NH1-OE2 3.1Å; R163-E177 IonicContact NH2-OE1 2.81Å; R163-E177 PolarHBondContact NH2-OE1 3.06Å; R163-E177 IonicContact NH2-OE2 3.24Å; R163-E177 PolarHBondContact NH2-OE2 3.19Å; R166-E177 HydrophobicContact CG-CB 4.25Å; A170-E177 HydrophobicContact CB-CG 4.15Å; E177-K181 VanDerWaalsContact O-CB 3.31Å; E177-K181 WeakPolarHBondContact O-CB 3.44Å; E177-K181 PolarHBondContact O-N 3.33Å |
| 178 | K | 98 | Very high | 98.3 | Very high | 133 Ų | 133 | 67.2 Ų | 67.2 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 177.1 | -178.5 | 179.5 | 177.3 | 178.8 | 0 | 111.6 | S176 K181 I182 | S176-K178 PolarHBondContact O-N 3.41Å; K178-K181 PolarHBondContact O-N 3.5Å; K178-I182 HydrophobicContact CG-CD1 3.9Å; K178-I182 WeakPolarHBondContact O-CB 3.39Å; K178-I182 VanDerWaalsContact O-CG1 3.26Å; K178-I182 WeakPolarHBondContact O-CG1 3.44Å; K178-I182 PolarHBondContact O-N 2.93Å |
| 179 | Q | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.8 | -77.6 | 163.5 | -61.5 | 0 | 0 | 110.9 | F143 L175 S176 K181 I182 W183 | F143-Q179 HydrophobicContact CE1-CB 4.21Å; F143-Q179 HydrophobicContact CE1-CG 4.34Å; F143-Q179 HydrophobicContact CZ-CB 4.01Å; F143-Q179 HydrophobicContact CZ-CG 4.31Å; L175-Q179 HydrophobicContact CB-CB 4.44Å; S176-Q179 WeakPolarHBondContact O-CB 3.43Å; S176-Q179 PolarHBondContact O-N 3.37Å; S176-Q179 VanDerWaalsContact OG-CG 3.3Å; S176-Q179 WeakPolarHBondContact OG-CG 3.26Å; S176-Q179 PolarHBondContact OG-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.33Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.87Å; Q179-I182 PolarHBondContact O-N 3.21Å; Q179-W183 WeakPolarHBondContact O-CB 3.5Å; Q179-W183 PolarHBondContact O-N 3.21Å |
| 180 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L151 L161 R166 I169 A170 L175 S176 I182 W183 F184 | L151-V180 HydrophobicContact CD2-CG1 4.24Å; L161-V180 HydrophobicContact CD1-CG1 3.54Å; R166-V180 HydrophobicContact CG-CB 4.36Å; R166-V180 HydrophobicContact CG-CG1 4.23Å; I169-V180 HydrophobicContact CG2-CG1 4.06Å; I169-V180 HydrophobicContact CG2-CG2 4.3Å; A170-V180 HydrophobicContact CB-CG2 4.06Å; L175-V180 HydrophobicContact CB-CG2 4.1Å; L175-V180 HydrophobicContact CD1-CG2 4.44Å; S176-V180 PolarHBondContact O-N 3.43Å; S176-V180 VanDerWaalsContact O-N 3.14Å; V180-I182 PolarHBondContact O-N 2.9Å; V180-W183 PolarHBondContact O-N 3.39Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.15Å; V180-F184 WeakPolarHBondContact O-CD2 3.42Å; V180-F184 PolarHBondContact O-N 3.06Å |
| 181 | K | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 75.7 Ų | 75.7 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 176.3 | -177.9 | -175.6 | 177.1 | -177.9 | 0 | 112.4 | E177 K178 Q179 Q185 | E177-K181 VanDerWaalsContact O-CB 3.31Å; E177-K181 WeakPolarHBondContact O-CB 3.44Å; E177-K181 PolarHBondContact O-N 3.33Å; K178-K181 PolarHBondContact O-N 3.5Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.87Å; K181-Q185 WeakPolarHBondContact O-CB 3.39Å; K181-Q185 PolarHBondContact O-N 2.93Å |
| 182 | I | 98.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 76.9 Ų | 76.9 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.7 | -70.5 | 167.6 | 0 | 0 | 0 | 110.3 | K178 Q179 V180 F184 Q185 N186 | K178-I182 HydrophobicContact CG-CD1 3.9Å; K178-I182 WeakPolarHBondContact O-CB 3.39Å; K178-I182 VanDerWaalsContact O-CG1 3.26Å; K178-I182 WeakPolarHBondContact O-CG1 3.44Å; K178-I182 PolarHBondContact O-N 2.93Å; Q179-I182 PolarHBondContact O-N 3.21Å; V180-I182 PolarHBondContact O-N 2.9Å; I182-F184 PolarHBondContact O-N 3.35Å; I182-Q185 PolarHBondContact O-N 3.26Å; I182-N186 VanDerWaalsContact O-CG 3.31Å; I182-N186 PolarHBondContact O-N 3Å; I182-N186 PolarHBondContact O-ND2 3.26Å |
| 183 | W | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 11% | 0.106 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.7 | -171.6 | 100 | 0 | 0 | 0 | 111.2 | F143 L151 E152 F155 Q179 V180 Q185 N186 R187 | F143-W183 AromaticContact CD2-CD1 3.75Å; F143-W183 HydrophobicContact CE2-CB 4.33Å; F143-W183 AromaticContact CE2-CD1 3.64Å; F143-W183 HydrophobicContact CE2-CG 4.35Å; L151-W183 VanDerWaalsContact C-CH2 3.48Å; L151-W183 HydrophobicContact CB-CD2 3.92Å; L151-W183 HydrophobicContact CB-CE3 3.86Å; L151-W183 HydrophobicContact CB-CH2 3.61Å; L151-W183 HydrophobicContact CB-CZ2 3.65Å; L151-W183 HydrophobicContact CB-CZ3 3.72Å; L151-W183 HydrophobicContact CD1-CB 4.49Å; L151-W183 HydrophobicContact CD1-CD2 3.85Å; L151-W183 HydrophobicContact CD1-CE3 4.45Å; L151-W183 HydrophobicContact CD1-CG 3.83Å; L151-W183 HydrophobicContact CD2-CD2 4.44Å; L151-W183 HydrophobicContact CD2-CE3 4.28Å; L151-W183 HydrophobicContact CG-CD2 4.29Å; L151-W183 HydrophobicContact CG-CE3 4.42Å; L151-W183 WeakPolarHBondContact O-CH2 3.3Å; L151-W183 WeakPolarHBondContact O-CZ3 3.5Å; E152-W183 HydrophobicContact CG-CH2 3.82Å; E152-W183 HydrophobicContact CG-CZ2 3.87Å; F155-W183 HydrophobicContact CB-CH2 4.34Å; F155-W183 HydrophobicContact CB-CZ3 4.09Å; F155-W183 HydrophobicContact CD2-CZ3 4.42Å; F155-W183 HydrophobicContact CG-CZ3 4.49Å; Q179-W183 WeakPolarHBondContact O-CB 3.5Å; Q179-W183 PolarHBondContact O-N 3.21Å; V180-W183 PolarHBondContact O-N 3.39Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 3.11Å; W183-N186 PolarHBondContact O-N 3.39Å; W183-R187 HydrophobicContact CE3-CB 3.99Å; W183-R187 HydrophobicContact CH2-CB 4.03Å; W183-R187 HydrophobicContact CH2-CG 3.76Å; W183-R187 HydrophobicContact CZ2-CG 4.48Å; W183-R187 HydrophobicContact CZ3-CB 3.73Å; W183-R187 HydrophobicContact CZ3-CG 3.81Å; W183-R187 WeakPolarHBondContact O-CB 3.41Å; W183-R187 PolarHBondContact O-N 3.47Å |
| 184 | F | 98.7 | Very high | 97.2 | Very high | 9 Ų | 9 | 80.4 Ų | 80.4 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.8 | -91.8 | -104.1 | 0 | 0 | 0 | 112.7 | L151 E154 F155 N158 L161 V180 I182 R188 | L151-F184 HydrophobicContact CD2-CE2 3.95Å; E154-F184 HydrophobicContact CB-CZ 4.07Å; F155-F184 HydrophobicContact CB-CE1 4.2Å; F155-F184 HydrophobicContact CB-CZ 4.33Å; F155-F184 AromaticContact CD2-CD1 3.9Å; F155-F184 HydrophobicContact CD2-CD1 3.9Å; F155-F184 AromaticContact CD2-CE1 3.9Å; F155-F184 HydrophobicContact CD2-CE1 3.9Å; N158-F184 WeakPolarHBondContact O-CE1 3.31Å; L161-F184 HydrophobicContact CD1-CD1 4.15Å; L161-F184 HydrophobicContact CD1-CD2 3.64Å; L161-F184 HydrophobicContact CD1-CE1 3.99Å; L161-F184 HydrophobicContact CD1-CE2 3.49Å; L161-F184 VanDerWaalsContact CD1-CE2 3.49Å; L161-F184 HydrophobicContact CD1-CG 3.98Å; L161-F184 HydrophobicContact CD1-CZ 3.68Å; L161-F184 HydrophobicContact CD2-CD1 4.4Å; L161-F184 HydrophobicContact CD2-CE1 3.68Å; L161-F184 HydrophobicContact CD2-CE2 4.36Å; L161-F184 HydrophobicContact CD2-CZ 3.67Å; L161-F184 HydrophobicContact CG-CD1 3.77Å; L161-F184 HydrophobicContact CG-CD2 4.2Å; L161-F184 HydrophobicContact CG-CE1 3.54Å; L161-F184 HydrophobicContact CG-CE2 4.02Å; L161-F184 HydrophobicContact CG-CG 4.1Å; L161-F184 HydrophobicContact CG-CZ 3.69Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.15Å; V180-F184 WeakPolarHBondContact O-CD2 3.42Å; V180-F184 PolarHBondContact O-N 3.06Å; I182-F184 PolarHBondContact O-N 3.35Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.45Å |
| 185 | Q | 98.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.5 | -172 | 170.3 | 16.6 | 0 | 0 | 111.4 | K181 I182 W183 R188 V189 | K181-Q185 WeakPolarHBondContact O-CB 3.39Å; K181-Q185 PolarHBondContact O-N 2.93Å; I182-Q185 PolarHBondContact O-N 3.26Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 3.11Å; Q185-R188 PolarHBondContact O-N 3.49Å; Q185-V189 WeakPolarHBondContact O-CG2 3.41Å; Q185-V189 PolarHBondContact O-N 3.07Å |
| 186 | N | 97.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 83 Ų | 83 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.1 | -69.3 | -17.6 | 0 | 0 | 0 | 111.5 | I182 W183 R188 V189 K190 | I182-N186 VanDerWaalsContact O-CG 3.31Å; I182-N186 PolarHBondContact O-N 3Å; I182-N186 PolarHBondContact O-ND2 3.26Å; W183-N186 PolarHBondContact O-N 3.39Å; N186-R188 PolarHBondContact O-N 3.19Å; N186-V189 PolarHBondContact O-N 2.93Å; N186-K190 PolarHBondContact O-N 3.06Å |
| 187 | R | 98.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 83.9 Ų | 83.9 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | -179.8 | -175.5 | 63.8 | -170.3 | 109.4 | -8.7 | 112 | F155 W183 V189 K190 H191 E194 | F155-R187 HydrophobicContact CB-CG 4.49Å; F155-R187 HydrophobicContact CD1-CG 3.78Å; F155-R187 HydrophobicContact CD2-CB 4.09Å; F155-R187 HydrophobicContact CD2-CG 3.56Å; F155-R187 HydrophobicContact CE1-CG 3.77Å; F155-R187 HydrophobicContact CE2-CB 3.97Å; F155-R187 HydrophobicContact CE2-CG 3.55Å; F155-R187 HydrophobicContact CG-CG 3.66Å; F155-R187 HydrophobicContact CZ-CB 4.39Å; F155-R187 HydrophobicContact CZ-CG 3.64Å; W183-R187 HydrophobicContact CE3-CB 3.99Å; W183-R187 HydrophobicContact CH2-CB 4.03Å; W183-R187 HydrophobicContact CH2-CG 3.76Å; W183-R187 HydrophobicContact CZ2-CG 4.48Å; W183-R187 HydrophobicContact CZ3-CB 3.73Å; W183-R187 HydrophobicContact CZ3-CG 3.81Å; W183-R187 WeakPolarHBondContact O-CB 3.41Å; W183-R187 PolarHBondContact O-N 3.47Å; R187-V189 PolarHBondContact O-N 3.23Å; R187-K190 WeakPolarHBondContact O-CB 3Å; R187-K190 PolarHBondContact O-N 3.42Å; R187-H191 WeakPolarHBondContact O-CB 3.36Å; R187-H191 PolarHBondContact O-N 2.9Å; R187-E194 IonicContact CZ-OE2 3.82Å; R187-E194 IonicContact NH1-OE1 3.79Å; R187-E194 IonicContact NH1-OE2 2.93Å; R187-E194 PolarHBondContact NH1-OE2 3.48Å; R187-E194 IonicContact NH2-OE2 3.74Å |
| 188 | R | 97.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 84.7 Ų | 84.7 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.1 | -73.8 | -172.5 | -69.5 | 141.3 | -4.2 | 112.8 | F155 M159 F184 Q185 N186 H191 K192 | F155-R188 HydrophobicContact CE2-CG 3.66Å; F155-R188 HydrophobicContact CZ-CG 4.08Å; M159-R188 WeakPolarHBondContact O-CD 3.37Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.45Å; Q185-R188 PolarHBondContact O-N 3.49Å; N186-R188 PolarHBondContact O-N 3.19Å; R188-H191 PolarHBondContact O-N 3.01Å; R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 2.87Å |
| 189 | V | 97.5 | Very high | 88.2 | Confident | 89 Ų | 89 | 81.1 Ų | 81.1 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | Q185 N186 R187 K192 K193 | Q185-V189 WeakPolarHBondContact O-CG2 3.41Å; Q185-V189 PolarHBondContact O-N 3.07Å; N186-V189 PolarHBondContact O-N 2.93Å; R187-V189 PolarHBondContact O-N 3.23Å; V189-K192 PolarHBondContact O-N 2.84Å; V189-K193 PolarHBondContact O-N 2.84Å |
| 190 | K | 95.9 | Very high | 85.8 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 176.3 | -162.7 | -162.3 | -179.1 | -150.9 | 0 | 111.2 | N186 R187 K192 K193 E194 | N186-K190 PolarHBondContact O-N 3.06Å; R187-K190 WeakPolarHBondContact O-CB 3Å; R187-K190 PolarHBondContact O-N 3.42Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.24Å; K190-K193 WeakPolarHBondContact O-CA 3.35Å; K190-K193 WeakPolarHBondContact O-CB 3.16Å; K190-K193 PolarHBondContact O-N 2.75Å; K190-E194 VanDerWaalsContact CD-OE1 3.23Å; K190-E194 WeakPolarHBondContact CD-OE1 3.47Å; K190-E194 WeakPolarHBondContact CE-OE1 3.45Å; K190-E194 VanDerWaalsContact CG-OE1 3.32Å; K190-E194 WeakPolarHBondContact CG-OE1 3.33Å; K190-E194 IonicContact NZ-OE1 2.8Å; K190-E194 PolarHBondContact NZ-OE1 3.24Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.06Å |
| 191 | H | 95.5 | Very high | 83.2 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 39% | 0.389 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 177.4 | -175 | -84 | 0 | 0 | 0 | 112.4 | F155 M159 R187 R188 K193 E194 G195 | F155-H191 HydrophobicContact CE1-CB 4.3Å; F155-H191 HydrophobicContact CZ-CB 4.14Å; M159-H191 HydrophobicContact CE-CB 4.12Å; M159-H191 VanDerWaalsContact CE-ND1 3.31Å; M159-H191 WeakPolarHBondContact CE-ND1 3.49Å; R187-H191 WeakPolarHBondContact O-CB 3.36Å; R187-H191 PolarHBondContact O-N 2.9Å; R188-H191 PolarHBondContact O-N 3.01Å; H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.25Å; H191-E194 WeakPolarHBondContact CA-OE2 3.32Å; H191-E194 PolarHBondContact O-N 3.29Å; H191-G195 PolarHBondContact O-N 3.44Å; H191-G195 VanDerWaalsContact O-N 3.11Å |
| 192 | K | 95.1 | Very high | 80.9 | Confident | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.548 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 175.8 | -171.5 | 178.6 | 72.5 | 173.6 | 0 | 112 | R188 V189 K190 K196 | R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 2.87Å; V189-K192 PolarHBondContact O-N 2.84Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.24Å; K192-K196 HydrophobicContact CG-CD 4.25Å; K192-K196 WeakPolarHBondContact O-CD 3.32Å |
| 193 | K | 93.1 | Very high | 78.4 | Confident | 163 Ų | 163 | 97.1 Ų | 97.1 | 71% | 0.709 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.1 | -43.9 | 178 | -172.9 | -179.5 | 176.7 | -175.6 | 0 | 110.9 | V189 K190 H191 G195 K196 S197 | V189-K193 PolarHBondContact O-N 2.84Å; K190-K193 WeakPolarHBondContact O-CA 3.35Å; K190-K193 WeakPolarHBondContact O-CB 3.16Å; K190-K193 PolarHBondContact O-N 2.75Å; H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.25Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 3.09Å; K193-K196 PolarHBondContact O-N 3.03Å; K193-S197 PolarHBondContact O-OG 3.05Å |
| 194 | E | 89.8 | Confident | 76.3 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 37% | 0.369 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 178 | -69.5 | 162.6 | 169.9 | 0 | 0 | 111.5 | R187 K190 H191 K196 S197 | R187-E194 IonicContact CZ-OE2 3.82Å; R187-E194 IonicContact NH1-OE1 3.79Å; R187-E194 IonicContact NH1-OE2 2.93Å; R187-E194 PolarHBondContact NH1-OE2 3.48Å; R187-E194 IonicContact NH2-OE2 3.74Å; K190-E194 VanDerWaalsContact CD-OE1 3.23Å; K190-E194 WeakPolarHBondContact CD-OE1 3.47Å; K190-E194 WeakPolarHBondContact CE-OE1 3.45Å; K190-E194 VanDerWaalsContact CG-OE1 3.32Å; K190-E194 WeakPolarHBondContact CG-OE1 3.33Å; K190-E194 IonicContact NZ-OE1 2.8Å; K190-E194 PolarHBondContact NZ-OE1 3.24Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.06Å; H191-E194 WeakPolarHBondContact CA-OE2 3.32Å; H191-E194 PolarHBondContact O-N 3.29Å; E194-K196 PolarHBondContact O-N 3.23Å; E194-S197 PolarHBondContact O-OG 2.98Å |
| 195 | G | 78.4 | Confident | 74.1 | Confident | 63 Ų | 63 | 109 Ų | 109 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | H191 K193 | H191-G195 PolarHBondContact O-N 3.44Å; H191-G195 VanDerWaalsContact O-N 3.11Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 3.09Å |
| 196 | K | 63.7 | Low | 71.8 | Confident | 160 Ų | 160 | 110 Ų | 110 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -18.9 | 175.7 | -92.8 | 93.6 | 172.8 | 163.7 | 0 | 113.4 | K192 K193 E194 G198 | K192-K196 HydrophobicContact CG-CD 4.25Å; K192-K196 WeakPolarHBondContact O-CD 3.32Å; K193-K196 PolarHBondContact O-N 3.03Å; E194-K196 PolarHBondContact O-N 3.23Å; K196-G198 VanDerWaalsContact C-N 3.3Å |
| 197 | S | 58.9 | Low | 69.2 | Low | 72 Ų | 72 | 109.5 Ų | 109.5 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -90.6 | 9.9 | 176.8 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | K193 E194 G199 | K193-S197 PolarHBondContact O-OG 3.05Å; E194-S197 PolarHBondContact O-OG 2.98Å; S197-G199 PolarHBondContact O-N 3.35Å |
| 198 | G | 51.8 | Low | 66.8 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 64% | 0.635 | S | S | * | * | trans | -75.3 | 23.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | K196 | K196-G198 VanDerWaalsContact C-N 3.3Š| ||
| 199 | G | 50.6 | Low | 64.2 | Low | 57 Ų | 57 | 117.8 Ų | 117.8 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -128.3 | 109.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | S197 | S197-G199 PolarHBondContact O-N 3.35Š|
| 200 | Q | 46.3 | Very low | 61.7 | Low | 162 Ų | 162 | 117.7 Ų | 117.7 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 80.1 | 106.1 | -176.1 | -98 | 76.8 | 2.2 | 0 | 0 | 117.5 | ||
| 201 | R | 44.5 | Very low | 59.3 | Low | 219 Ų | 219 | 117 Ų | 117 | 83% | 0.826 | 67% | 0.666 | S | S | * | * | trans | 106.9 | 94.1 | 136.7 | -53.8 | -122.5 | 142.2 | 174.9 | -8.9 | 115.5 | G203 | R201-G203 PolarHBondContact O-N 3.39Š| ||
| 202 | T | 49.6 | Very low | 57.3 | Low | 147 Ų | 147 | 120.9 Ų | 120.9 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | -26.2 | 114.5 | 124 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 203 | G | 46.1 | Very low | 55.2 | Low | 51 Ų | 51 | 120.2 Ų | 120.2 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | trans | 157.7 | 99.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R201 H205 | R201-G203 PolarHBondContact O-N 3.39Å; G203-H205 PolarHBondContact O-N 3.04Å | ||
| 204 | S | 54.7 | Low | 52.9 | Low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | trans | -10.9 | 105.9 | 150.5 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | N206 | S204-N206 PolarHBondContact O-N 3.3Å; S204-N206 PolarHBondContact OG-N 3.07Å; S204-N206 PolarHBondContact OG-OD1 3.29Å | ||
| 205 | H | 53 | Low | 50.8 | Low | 191 Ų | 191 | 117.9 Ų | 117.9 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | trans | -71.4 | 73.3 | 156.5 | -81.5 | -67.7 | 0 | 0 | 0 | 107 | G203 C207 | G203-H205 PolarHBondContact O-N 3.04Å; H205-C207 PolarHBondContact O-N 3.08Å | ||
| 206 | N | 48.7 | Very low | 49.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | -46.4 | 116.9 | 158.2 | -103.5 | 66.3 | 0 | 0 | 0 | 107.2 | S204 K208 | S204-N206 PolarHBondContact O-N 3.3Å; S204-N206 PolarHBondContact OG-N 3.07Å; S204-N206 PolarHBondContact OG-OD1 3.29Å; N206-K208 PolarHBondContact O-N 3.13Å | ||
| 207 | C | 43.6 | Very low | 47.7 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -58.5 | 125.5 | 161.4 | -150.9 | 0 | 0 | 0 | 0 | 107.6 | H205 C209 | H205-C207 PolarHBondContact O-N 3.08Å; C207-C209 PolarHBondContact O-N 3.45Å; C207-C209 VanDerWaalsContact SG-SG 3.63Å | ||
| 208 | K | 48.8 | Very low | 46.8 | Very low | 204 Ų | 204 | 125.8 Ų | 125.8 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 44.7 | -177.6 | -154.3 | 122.9 | 179.1 | 178.1 | 0 | 111.8 | N206 | N206-K208 PolarHBondContact O-N 3.13Š|
| 209 | C | 41.8 | Very low | 46.7 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 69% | 0.689 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 4.7 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | C207 | C207-C209 PolarHBondContact O-N 3.45Å; C207-C209 VanDerWaalsContact SG-SG 3.63Å |
| 210 | S | 46.8 | Very low | 46.8 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | -105 | 10.9 | -178.9 | -48.6 | 0 | 0 | 0 | 0 | 114.5 | L212 | S210-L212 PolarHBondContact O-N 3.41Š| ||
| 211 | S | 44 | Very low | 47 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 28 | -174.3 | 65.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 212 | L | 53.8 | Low | 47.1 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 45.2 | 173.7 | -67.8 | 174.6 | 0 | 0 | 0 | 112 | S210 | S210-L212 PolarHBondContact O-N 3.41Š|
| 213 | S | 51.9 | Low | 47.1 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -174.7 | 72.4 | 160.9 | 39.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | A | 45 | Very low | 47.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -143.6 | 65.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R216 | A214-R216 PolarHBondContact O-N 3.48Š| ||
| 215 | A | 44.6 | Very low | 46.7 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -76.7 | 113.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 216 | R | 47.3 | Very low | 46.6 | Very low | 231 Ų | 231 | 137.7 Ų | 137.7 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | 46.4 | 101.2 | 138.2 | -42.6 | -75.2 | -178.6 | 131.1 | 1.3 | 116.4 | A214 | A214-R216 PolarHBondContact O-N 3.48Š| ||
| 217 | C | 30.9 | Very low | 46.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -129.5 | 100.2 | 138.6 | -87.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 218 | S | 39.9 | Very low | 46.2 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -75 | 127.2 | 155.7 | -65.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 219 | E | 47.8 | Very low | 46.4 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 137.2 | 148 | -103.5 | 161.2 | 149.3 | 0 | 0 | 106.1 | ||||
| 220 | E | 53 | Low | 46.6 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -124.9 | 132.8 | -157.8 | 46.2 | -161.3 | 98.9 | 0 | 0 | 105.7 | ||||
| 221 | E | 51 | Low | 46.4 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 174.5 | 96.1 | 161.8 | -98.8 | 166.6 | 115.9 | 0 | 0 | 104.3 | ||||
| 222 | D | 46.7 | Very low | 46.6 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | 59.8 | 104.2 | 80.8 | -150.4 | -98.4 | 0 | 0 | 0 | 111.5 | |||||
| 223 | D | 49.3 | Very low | 46.3 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -172 | 158.5 | 133.9 | -115.5 | -57.6 | 0 | 0 | 0 | 111.8 | ||||
| 224 | D | 46 | Very low | 46.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -79.6 | 164 | -141.9 | -129.1 | -72.2 | 0 | 0 | 0 | 118 | ||||
| 225 | I | 46.5 | Very low | 46.7 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -61.3 | 168.5 | 165.9 | -78 | 175.8 | 0 | 0 | 0 | 109.5 | ||||
| 226 | P | 52.3 | Low | 47 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -141.7 | 177.7 | 22.8 | 14.4 | 15.3 | 0 | 0 | 0 | 118.5 | ||||
| 227 | A | 43.4 | Very low | 48 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 153.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 228 | S | 40.3 | Very low | 49.1 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 75.5 | 165.7 | 145 | -56.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 229 | P | 53.2 | Low | 50.2 | Low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -136.1 | -178.1 | 3.1 | 31.2 | -7.2 | 0 | 0 | 0 | 116.1 | ||||
| 230 | S | 44.8 | Very low | 50.8 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -27.3 | 147 | 159.7 | -176.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 231 | S | 42.8 | Very low | 51 | Low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -145.2 | 120.5 | 145.5 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 232 | S | 48.5 | Very low | 51.1 | Low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 173.4 | 163.4 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 233 | E | 46.6 | Very low | 52.2 | Low | 146 Ų | 146 | 134.5 Ų | 134.5 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | trans | 99.3 | 108.8 | 155.2 | -52 | -163.5 | 103.7 | 0 | 0 | 116.6 | ||||
| 234 | K | 52.5 | Low | 52.3 | Low | 167 Ų | 167 | 133.4 Ų | 133.4 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | 83.7 | 134.2 | 106 | -67.3 | 172.1 | -175.2 | 164.2 | 0 | 110 | |||||
| 235 | E | 54.2 | Low | 52.6 | Low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -176.2 | 151 | 81.4 | -79.2 | 169.7 | 151.1 | 0 | 0 | 110.8 | |||||
| 236 | D | 50.9 | Low | 53 | Low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -41.6 | 142.3 | 169 | -88.1 | -115.1 | 0 | 0 | 0 | 116.4 | ||||
| 237 | V | 66.9 | Low | 53 | Low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -135.1 | 99 | 147.5 | 171.8 | 0 | 0 | 0 | 0 | 108.8 | L239 | V237-L239 HydrophobicContact CG1-CD1 4.01Å; V237-L239 HydrophobicContact CG1-CG 4.26Å | ||
| 238 | D | 53.8 | Low | 53.6 | Low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -68.6 | 125 | 158.1 | -172.1 | -97.9 | 0 | 0 | 0 | 108.9 | ||||
| 239 | L | 63.6 | Low | 54.5 | Low | 145 Ų | 145 | 137.9 Ų | 137.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -145.8 | 89.7 | 164.3 | -95.8 | 167.3 | 0 | 0 | 0 | 109.3 | V237 | V237-L239 HydrophobicContact CG1-CD1 4.01Å; V237-L239 HydrophobicContact CG1-CG 4.26Å | ||
| 240 | S | 60.4 | Low | 54.6 | Low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -3.6 | 125.5 | 145.9 | 57.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 241 | V | 58.3 | Low | 55.4 | Low | 149 Ų | 149 | 141.5 Ų | 141.5 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -127.4 | 113.3 | 153.4 | 94.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 242 | S | 52.7 | Low | 56.4 | Low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 142.3 | 158 | -107.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 243 | P | 68.8 | Low | 57.1 | Low | 199 Ų | 199 | 147.4 Ų | 147.4 | 100% | 1.292 | 82% | 0.82 | S | S | * | * | -113.8 | 0 | 65.4 | -0.4 | 22 | 0 | 0 | 0 | 114.6 |
Retrieved 243 of 243 residues in 95.3 ms
(Link to these results)