| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 38.5 | Very low | 239 Ų | 239 | 155.1 Ų | 155.1 | 100% | 1.177 | 82% | 0.822 | S | S | * | * | 0 | 105.9 | 0 | -77.6 | 159.1 | 165.2 | 0 | 0 | 106.5 | |||||
| 2 | D | 31 | Very low | 39.3 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | 35.9 | 129 | 146.6 | -77.5 | -61.2 | 0 | 0 | 0 | 124 | ||||
| 3 | A | 37 | Very low | 40.8 | Very low | 83 Ų | 83 | 154.2 Ų | 154.2 | 69% | 0.686 | 82% | 0.815 | S | S | * | * | 56.3 | 145.4 | 127.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 4 | T | 37.2 | Very low | 41.8 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | cis | -170.1 | 162.6 | 30.3 | -2.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | A | 41.9 | Very low | 43 | Very low | 83 Ų | 83 | 149.2 Ų | 149.2 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | -50.1 | 168.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 6 | I | 40.9 | Very low | 43.7 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | -172.9 | 114.9 | 80.3 | -63.9 | 136.8 | 0 | 0 | 0 | 105.6 | |||||
| 7 | D | 38.6 | Very low | 44.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | 44.7 | 109.5 | 99.5 | -158 | -114.9 | 0 | 0 | 0 | 116.3 | |||||
| 8 | E | 37.5 | Very low | 44.7 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -156 | 106.4 | 145.6 | -136.8 | -178.7 | 109.9 | 0 | 0 | 114.1 | ||||
| 9 | F | 41.3 | Very low | 45 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 75% | 0.746 | 78% | 0.784 | S | S | * | * | trans | 68.8 | 94.8 | 136.8 | -80.5 | -112.6 | 0 | 0 | 0 | 121.2 | ||||
| 10 | Q | 42.5 | Very low | 45.2 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -81.5 | 109.3 | 151.1 | -151 | 159.4 | -11.1 | 0 | 0 | 108.7 | I12 | Q10-I12 PolarHBondContact O-N 2.99Š| ||
| 11 | Q | 41.2 | Very low | 45.4 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.1 | -174 | -136.5 | 168.8 | 0.6 | 0 | 0 | 111.9 | ||
| 12 | I | 47.8 | Very low | 46.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 118.9 | 173.6 | -61.1 | 167.2 | 0 | 0 | 0 | 108.1 | Q10 | Q10-I12 PolarHBondContact O-N 2.99Š|
| 13 | L | 58.5 | Low | 46.9 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 149.2 | 175.6 | -80.5 | 131.5 | 0 | 0 | 0 | 111.8 | ||
| 14 | P | 55.3 | Low | 47.1 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 146.8 | -172.8 | 26.7 | -32.7 | 0 | 0 | 0 | 114.3 | E16 | P14-E16 PolarHBondContact O-N 2.73Š|
| 15 | I | 60 | Low | 47.4 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -61.2 | -14.5 | -168.7 | -67.7 | 166.6 | 0 | 0 | 0 | 114.5 | Q17 | I15-Q17 PolarHBondContact O-N 3.32Š|
| 16 | E | 54.1 | Low | 47.5 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -75 | -19.3 | -175 | -62 | -166.4 | 155.9 | 0 | 0 | 114.4 | P14 | P14-E16 PolarHBondContact O-N 2.73Š|
| 17 | Q | 53.1 | Low | 47.7 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.8 | -18.2 | 176.9 | -79.6 | -168.9 | -76 | 0 | 0 | 114.5 | I15 R19 S20 | I15-Q17 PolarHBondContact O-N 3.32Å; Q17-R19 PolarHBondContact O-N 3.11Å; Q17-S20 PolarHBondContact O-OG 3.15Å |
| 18 | L | 52.3 | Low | 47.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -73.4 | -12.1 | -179.2 | -71.6 | 165.3 | 0 | 0 | 0 | 113.6 | S20 | L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.23Å |
| 19 | R | 51 | Low | 48 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -83.9 | -3.3 | -179.2 | -140.5 | 179.8 | -83.3 | 162.9 | -5.7 | 113.6 | Q17 | Q17-R19 PolarHBondContact O-N 3.11Š|
| 20 | S | 49.3 | Very low | 48.2 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -103.3 | -7.5 | -177.8 | 67.1 | 0 | 0 | 0 | 0 | 115 | Q17 L18 | Q17-S20 PolarHBondContact O-OG 3.15Å; L18-S20 VanDerWaalsContact C-N 3.3Å; L18-S20 PolarHBondContact O-N 3.23Å |
| 21 | T | 49 | Very low | 48.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | -104.3 | 61.3 | 169.4 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | A23 | T21-A23 PolarHBondContact O-N 3.44Å; T21-A23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | H | 51.2 | Low | 48.2 | Very low | 162 Ų | 162 | 139 Ų | 139 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | trans | -72.5 | 101 | 162.2 | -175 | -95.7 | 0 | 0 | 0 | 106.9 | S24 | H22-S24 PolarHBondContact O-N 2.66Š| ||
| 23 | A | 45.8 | Very low | 48.1 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | trans | -59.9 | 109 | 160 | 0 | 0 | 0 | 0 | 0 | 106.4 | T21 N25 | T21-A23 PolarHBondContact O-N 3.44Å; T21-A23 VanDerWaalsContact O-N 3.15Å; A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 2.73Å | ||
| 24 | S | 40.3 | Very low | 47.1 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 54% | 0.538 | 73% | 0.733 | S | S | . | * | trans | -58 | 101 | 168.8 | -168 | 0 | 0 | 0 | 0 | 107.3 | H22 D26 | H22-S24 PolarHBondContact O-N 2.66Å; S24-D26 PolarHBondContact O-N 3.4Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-OD2 3.41Å | ||
| 25 | N | 43.2 | Very low | 45.9 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -79.6 | 81.4 | 165.6 | -84.2 | -33.2 | 0 | 0 | 0 | 106.9 | A23 Y27 | A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 2.73Å; N25-Y27 HydrophobicContact CB-CD2 4.29Å; N25-Y27 PolarHBondContact O-N 3.19Å | ||
| 26 | D | 44.7 | Very low | 45 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -70.2 | 80.1 | 166.5 | -83.7 | -70.9 | 0 | 0 | 0 | 109.1 | S24 | S24-D26 PolarHBondContact O-N 3.4Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-OD2 3.41Å | ||
| 27 | Y | 44.2 | Very low | 44 | Very low | 206 Ų | 206 | 139 Ų | 139 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | -109 | 61.3 | 169 | -86.8 | -83.2 | 0 | 0 | 0 | 110.5 | N25 | N25-Y27 HydrophobicContact CB-CD2 4.29Å; N25-Y27 PolarHBondContact O-N 3.19Å | ||
| 28 | V | 42.5 | Very low | 42.9 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -148.9 | 85 | 154.4 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | Q30 | V28-Q30 HydrophobicContact CG1-CB 4.14Š| ||
| 29 | E | 41.6 | Very low | 41.8 | Very low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | -92 | 95.7 | 150.7 | -98 | -154 | 130.4 | 0 | 0 | 107.9 | ||||
| 30 | Q | 44.2 | Very low | 40.8 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 126.1 | 167.2 | -158.3 | 169.4 | 25.6 | 0 | 0 | 107.4 | V28 | V28-Q30 HydrophobicContact CG1-CB 4.14Š|
| 31 | P | 42.2 | Very low | 40 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.5 | 179.9 | 22.7 | -30.1 | 0 | 0 | 0 | 110.6 | A33 | P31-A33 PolarHBondContact O-N 3.31Š|
| 32 | P | 42.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 122.2 | -171.2 | 25.3 | -32.3 | 0 | 0 | 0 | 111.5 | ||
| 33 | A | 44.8 | Very low | 38.5 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P31 C35 | P31-A33 PolarHBondContact O-N 3.31Å; A33-C35 PolarHBondContact O-N 3.17Å |
| 34 | P | 37.3 | Very low | 37.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -74.7 | 109.7 | 174.2 | -10.2 | 25.5 | 0 | 0 | 0 | 110.3 | ||||
| 35 | C | 30 | Very low | 37.1 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -88.2 | 125.4 | 160.8 | -174 | 0 | 0 | 0 | 0 | 109.1 | A33 | A33-C35 PolarHBondContact O-N 3.17Š| ||
| 36 | K | 42.4 | Very low | 36.5 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -118 | 104 | 161.6 | -72.6 | -173.3 | 178.8 | -179.7 | 0 | 108.6 | ||||
| 37 | Q | 33.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 156.2 | 151.7 | -71.6 | 177.2 | -14.8 | 0 | 0 | 107.1 | ||||
| 38 | A | 29.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -167.2 | 158 | -4.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 39 | L | 29.5 | Very low | 34.2 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | -143.7 | 127.3 | 150.5 | -156 | 75.5 | 0 | 0 | 0 | 110.4 | ||||
| 40 | S | 30.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 133.3 | -170.5 | -40.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 41 | S | 32 | Very low | 32.7 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | 94.7 | 164.6 | 100.9 | -68.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 42 | P | 41 | Very low | 31.9 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -140.5 | -167.8 | -37.8 | 38.3 | -20.3 | 0 | 0 | 0 | 115.1 | ||||
| 43 | S | 27.4 | Very low | 31 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 102.8 | 132.8 | 159.3 | -25.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 44 | L | 29 | Very low | 30.2 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | cis | -154.7 | 138.6 | 27 | -90.1 | 163.4 | 0 | 0 | 0 | 112.8 | ||||
| 45 | I | 28.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 4.8 | 130.9 | 136.6 | -45 | 177.8 | 0 | 0 | 0 | 117 | ||||
| 46 | V | 30.5 | Very low | 29.7 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | -176.8 | 112.5 | 90.1 | 165.2 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 47 | Q | 29 | Very low | 29.1 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | 54.5 | 115.1 | 95.5 | -89.4 | -167.1 | 5 | 0 | 0 | 120 | |||||
| 48 | T | 26 | Very low | 29.1 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 75.1 | 120.7 | 128.3 | -37.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 49 | H | 27.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | 163.6 | 141.2 | 102.7 | -163.1 | -112.7 | 0 | 0 | 0 | 113.5 | |||||
| 50 | K | 27.5 | Very low | 29.6 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 145 | 170.2 | -84 | 170.6 | 157.6 | 172.6 | 0 | 111.4 | ||||
| 51 | S | 27.6 | Very low | 29.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -172 | 144.2 | 136 | 47.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 52 | D | 24.3 | Very low | 29.9 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -94.8 | 172.1 | -176.7 | -151.4 | -31.3 | 0 | 0 | 0 | 111 | ||||
| 53 | W | 24.7 | Very low | 30.2 | Very low | 227 Ų | 227 | 138.9 Ų | 138.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 92.4 | 142.7 | 163 | -108.7 | -79 | 0 | 0 | 0 | 123.9 | ||||
| 54 | S | 26.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 145.7 Ų | 145.7 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -86.3 | 169.5 | -159.7 | -42.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 55 | L | 30.2 | Very low | 30.4 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | 113 | 117.5 | 135.4 | -140.9 | 112.4 | 0 | 0 | 0 | 119 | ||||
| 56 | A | 27.5 | Very low | 30.6 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | 59.4 | 128.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 57 | T | 29.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 143 Ų | 143 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | 172.6 | 134.5 | 107.6 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 58 | M | 33.3 | Very low | 31.1 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 172.5 | 179.4 | -66.8 | -74.1 | -73.1 | 0 | 0 | 113.1 | ||||
| 59 | P | 38.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -142 | 164.9 | 102.4 | 29.3 | -9.9 | 0 | 0 | 0 | 117.3 | |||||
| 60 | T | 31.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 145.7 | -168.2 | -46 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 61 | A | 32.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -178.1 | 124.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 62 | L | 34 | Very low | 31.5 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -100.7 | -169.2 | 169.2 | -102.5 | 163.9 | 0 | 0 | 0 | 108.7 | ||||
| 63 | P | 47.9 | Very low | 32 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | -138 | 171 | -16.2 | 27.9 | -5.7 | 0 | 0 | 0 | 115.3 | ||||
| 64 | R | 31.5 | Very low | 32.6 | Very low | 250 Ų | 250 | 139.6 Ų | 139.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | -171.9 | 149.7 | 128.8 | -110.3 | 176.9 | 175.8 | 96.9 | -3.1 | 113.9 | |||||
| 65 | S | 30.2 | Very low | 32.7 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -102.1 | 158 | -164.8 | 149.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 66 | I | 32.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -176.2 | 155 | 130.9 | -92.1 | 157.9 | 0 | 0 | 0 | 111.4 | ||||
| 67 | S | 32.7 | Very low | 33.6 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -121.4 | 166.2 | -153.8 | -173.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 68 | Q | 35.6 | Very low | 33.5 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 96.6 | 113.1 | 144.5 | -96.6 | 174.5 | 3.1 | 0 | 0 | 125.3 | ||||
| 69 | C | 28.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | 66.6 | 140.7 | 115.8 | -92.8 | 0 | 0 | 0 | 0 | 128.3 | |||||
| 70 | H | 27.9 | Very low | 32.9 | Very low | 177 Ų | 177 | 142 Ų | 142 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | 127.8 | 117.7 | 144.4 | -80.5 | -72.7 | 0 | 0 | 0 | 114 | ||||
| 71 | Q | 30.6 | Very low | 33 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | 81.8 | 117 | 53.1 | -91.3 | -94.7 | -63.2 | 0 | 0 | 117.1 | |||||
| 72 | L | 30.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 100.9 | 142.5 | 140 | -65.9 | 169.9 | 0 | 0 | 0 | 124.4 | ||||
| 73 | Q | 34.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -82 | 174.6 | -174.1 | -142.1 | 163.8 | -60 | 0 | 0 | 113.6 | ||||
| 74 | P | 38.3 | Very low | 32.6 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -150.3 | 159.7 | 108.4 | 29.9 | -8.4 | 0 | 0 | 0 | 117.7 | |||||
| 75 | L | 29.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -76.4 | 174.1 | 169.9 | -162.4 | 52.9 | 0 | 0 | 0 | 109.5 | ||||
| 76 | P | 44.9 | Very low | 32.9 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -167.3 | 179.9 | 38 | 50.3 | -25.4 | 0 | 0 | 0 | 124.8 | ||||
| 77 | Q | 30.9 | Very low | 33 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 72.9 | 126.5 | 150.1 | -40.1 | -164.2 | -48.6 | 0 | 0 | 126.3 | ||||
| 78 | H | 28.5 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | 117.3 | 111.4 | 120.9 | -146.8 | -117.3 | 0 | 0 | 0 | 120.7 | |||||
| 79 | L | 30 | Very low | 33.2 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | 50.4 | 121.8 | 138.2 | -123.9 | 76.6 | 0 | 0 | 0 | 122.2 | ||||
| 80 | S | 29.6 | Very low | 33.6 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 153 | 134 | 114.3 | -68.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 81 | Q | 32.3 | Very low | 33.7 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | 72.7 | 143.7 | 137.3 | -66.7 | 175.4 | 19.8 | 0 | 0 | 123.6 | ||||
| 82 | S | 29 | Very low | 34.2 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 151.7 | 177.2 | 48.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 83 | S | 34 | Very low | 34.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 167 | 156.3 | 113.3 | -74.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 84 | I | 43.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -57.4 | 141.9 | 176.5 | -63.5 | 177.2 | 0 | 0 | 0 | 112.8 | ||||
| 85 | A | 35.2 | Very low | 34.5 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -140.5 | 109.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 86 | S | 32.8 | Very low | 35 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -67 | 144.2 | 166.7 | 33.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 87 | S | 34.1 | Very low | 34.6 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -124.3 | 108.4 | 160.1 | -82.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 88 | M | 37 | Very low | 35.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 144 | 163.9 | -55.6 | -145.3 | 103.1 | 0 | 0 | 108.5 | ||||
| 89 | S | 36.4 | Very low | 35.4 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -132.8 | 135.5 | 161.3 | -70.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 90 | Q | 36.5 | Very low | 35.7 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 158.9 | -156.5 | -63.4 | 167 | 18.9 | 0 | 0 | 112.2 | ||||
| 91 | S | 31.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -64.3 | 147.8 | 177.9 | -41 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 92 | T | 40.4 | Very low | 35.8 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | trans | -112.3 | 137.2 | 158.7 | 46.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 93 | T | 42.1 | Very low | 36.2 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | trans | -101.7 | 168.1 | -177.1 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 94 | A | 30.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 86.4 | 138.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 95 | S | 37 | Very low | 36 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | cis | -158.5 | 141.9 | 24.2 | -176 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 96 | D | 38.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -67.9 | 142.3 | 162.7 | -80.3 | -58.8 | 0 | 0 | 0 | 111.5 | ||||
| 97 | Q | 37.1 | Very low | 36.1 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -144.6 | 125.2 | 140.3 | -70.4 | -163.1 | 45 | 0 | 0 | 111.1 | ||||
| 98 | R | 40.7 | Very low | 36 | Very low | 206 Ų | 206 | 140.7 Ų | 140.7 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -60.1 | 152.9 | 173.5 | -72.6 | 178.9 | 161 | -133.6 | -0.3 | 112.7 | ||||
| 99 | L | 36.1 | Very low | 35.8 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | -150.2 | 141.2 | 129.1 | -101.3 | 169.5 | 0 | 0 | 0 | 110.3 | |||||
| 100 | L | 35.6 | Very low | 35.9 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -89.7 | 160.8 | -162.8 | -83.2 | 160.7 | 0 | 0 | 0 | 114.5 | ||||
| 101 | A | 33.3 | Very low | 35.9 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -42.4 | 153.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 102 | S | 30.9 | Very low | 36.3 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -144.5 | 142.9 | 143.9 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 103 | I | 36.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -111.5 | 148.8 | -161 | -1.9 | 172.5 | 0 | 0 | 0 | 109.1 | ||||
| 104 | T | 35 | Very low | 36.2 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | 164.4 | 160.8 | 131.1 | 39.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 105 | P | 38.2 | Very low | 36.6 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | trans | -121.5 | 158.3 | -145.1 | 41.2 | -28.7 | 0 | 0 | 0 | 118.7 | ||||
| 106 | S | 28 | Very low | 36.8 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 54.6 | 164.7 | 149.3 | -61.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 107 | P | 42.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -138.3 | 169.1 | 8.3 | 40.6 | -21 | 0 | 0 | 0 | 118.4 | ||||
| 108 | S | 33.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | trans | 61.1 | 130.1 | 149.4 | -149.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 109 | G | 31.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | cis | -177.5 | 175 | 7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 110 | Q | 38.9 | Very low | 36.3 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 84.5 | 86.3 | 163 | -60.2 | -177 | -11 | 0 | 0 | 121 | ||||
| 111 | S | 37.2 | Very low | 36.1 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | 55.2 | 106 | 125.1 | -173.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 112 | I | 39.5 | Very low | 36.3 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -157.9 | 134.6 | 131.3 | -103.9 | 146.5 | 0 | 0 | 0 | 110.1 | R114 | I112-R114 PolarHBondContact O-N 3.14Š| ||
| 113 | I | 41.3 | Very low | 36.5 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -71.9 | 116.2 | -169.9 | -65.9 | 152.2 | 0 | 0 | 0 | 110.5 | ||||
| 114 | R | 38.5 | Very low | 36.4 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 82% | 0.815 | 82% | 0.818 | S | S | * | * | trans | -138.1 | 101.8 | 162.4 | -170.1 | 175.9 | -171.4 | 136 | 0.5 | 108.5 | I112 Q116 | I112-R114 PolarHBondContact O-N 3.14Å; R114-Q116 PolarHBondContact O-N 3.4Å; R114-Q116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | T | 39.3 | Very low | 36.3 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 96.3 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | Q | 40.9 | Very low | 36.2 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -85.2 | 141.4 | 156.8 | -85.5 | -159.7 | -18.8 | 0 | 0 | 109.5 | R114 G118 | R114-Q116 PolarHBondContact O-N 3.4Å; R114-Q116 VanDerWaalsContact O-N 3.12Å; Q116-G118 PolarHBondContact O-N 3.42Å | ||
| 117 | P | 40.8 | Very low | 36.4 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -71.6 | 112.3 | 171.8 | -11.4 | 27.2 | 0 | 0 | 0 | 110.1 | ||||
| 118 | G | 33.6 | Very low | 35.9 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -74.8 | 143.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q116 | Q116-G118 PolarHBondContact O-N 3.42Š| ||
| 119 | A | 34.7 | Very low | 36.2 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 136.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 120 | G | 32.5 | Very low | 36.1 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 77.6 | 101.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 121 | A | 32.9 | Very low | 35.9 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -142.6 | 115.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 122 | H | 37.2 | Very low | 35.6 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -68.8 | 154.1 | 167.3 | -85.7 | -91.5 | 0 | 0 | 0 | 110.1 | ||||
| 123 | P | 35.1 | Very low | 35.8 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | -133.5 | 145.6 | 111.4 | 16.4 | 3.7 | 0 | 0 | 0 | 112.7 | |||||
| 124 | K | 33.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -104.2 | 136.1 | 170.4 | -171 | -176 | -175.3 | -176.7 | 0 | 107.3 | ||||
| 125 | V | 33.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 83% | 0.826 | S | S | * | * | trans | 159.4 | 113.4 | 135.6 | 155.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 126 | D | 35.2 | Very low | 35.5 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | 52.1 | 123.6 | 138.8 | -51.3 | -37.4 | 0 | 0 | 0 | 122.8 | ||||
| 127 | G | 31.8 | Very low | 35.5 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | 88.5 | 111.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 128 | A | 32.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 76.7 | 114.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 129 | L | 39.1 | Very low | 35.9 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | 51.3 | 134.7 | 138.7 | -73.4 | 162.8 | 0 | 0 | 0 | 120.6 | ||||
| 130 | K | 28.9 | Very low | 36.7 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | 97.3 | 115.9 | 155.3 | -138.4 | 176.3 | -176.4 | -168.7 | 0 | 113.8 | ||||
| 131 | G | 35.1 | Very low | 38 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 153.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 132 | E | 31.2 | Very low | 39.9 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -164.3 | 148.7 | 150.6 | -105.5 | 166.8 | 150 | 0 | 0 | 107.7 | ||||
| 133 | A | 44.6 | Very low | 42 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -71.3 | 149 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | E | 32.7 | Very low | 44.2 | Very low | 192 Ų | 192 | 122.7 Ų | 122.7 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -137.3 | 139.6 | 157 | -98.9 | -134.8 | 94.3 | 0 | 0 | 112.5 | ||||
| 135 | L | 36.7 | Very low | 46.6 | Very low | 158 Ų | 158 | 119 Ų | 119 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | trans | -56.1 | 131.8 | -174.7 | -96.6 | 68.3 | 0 | 0 | 0 | 113.3 | ||||
| 136 | S | 43.3 | Very low | 49.3 | Very low | 85 Ų | 85 | 115.4 Ų | 115.4 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | 71.5 | 89.9 | 83.1 | -160.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 137 | V | 41.2 | Very low | 51.8 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 96% | 0.958 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -131.2 | 107.8 | 145.1 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | ||
| 138 | G | 34.8 | Very low | 54.4 | Low | 62 Ų | 62 | 109.1 Ų | 109.1 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 122.2 | 92.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P140 | G138-P140 VanDerWaalsContact O-N 3.1Š|
| 139 | H | 47.3 | Very low | 56.9 | Low | 176 Ų | 176 | 109.8 Ų | 109.8 | 82% | 0.815 | 61% | 0.608 | S | S | * | * | trans | -43.3 | 116.1 | 178 | -158.9 | 106.3 | 0 | 0 | 0 | 110 | S141 | H139-S141 PolarHBondContact O-N 3.12Å; H139-S141 VanDerWaalsContact O-N 3.15Å | ||
| 140 | P | 51.9 | Low | 59.3 | Low | 77 Ų | 77 | 103.9 Ų | 103.9 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | trans | -64.6 | 123.9 | 177.2 | 26 | -29.6 | 0 | 0 | 0 | 105.9 | G138 D142 | G138-P140 VanDerWaalsContact O-N 3.1Å; P140-D142 PolarHBondContact O-N 3.44Å | ||
| 141 | S | 60 | Low | 62 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | trans | -56.7 | 94.6 | 158.3 | 50.4 | 0 | 0 | 0 | 0 | 105.9 | H139 H143 | H139-S141 PolarHBondContact O-N 3.12Å; H139-S141 VanDerWaalsContact O-N 3.15Å; S141-H143 PolarHBondContact O-N 3.3Å | ||
| 142 | D | 71.7 | Confident | 64.6 | Low | 69 Ų | 69 | 99 Ų | 99 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | trans | -45.8 | 142 | 175.7 | -77.4 | -17.8 | 0 | 0 | 0 | 107.1 | P140 L144 S275 | P140-D142 PolarHBondContact O-N 3.44Å; D142-L144 HydrophobicContact CB-CD1 4.26Å; D142-L144 HydrophobicContact CB-CD2 3.74Å; D142-L144 HydrophobicContact CB-CG 3.68Å; D142-L144 WeakPolarHBondContact O-CG 3.37Å; D142-L144 PolarHBondContact O-N 3.25Å; D142-S275 PolarHBondContact OD2-OG 3.49Å | ||
| 143 | H | 81.8 | Confident | 67.4 | Low | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | trans | -71.2 | 61.5 | -179 | -65.4 | -51.4 | 0 | 0 | 0 | 110.6 | S141 F145 I146 C153 C155 C158 | S141-H143 PolarHBondContact O-N 3.3Å; H143-F145 PolarHBondContact O-N 3.18Å; H143-I146 VanDerWaalsContact O-CD1 3.26Å; H143-I146 WeakPolarHBondContact O-CD1 3Å; H143-C153 HydrophobicContact CB-CB 4.22Å; H143-C153 VanDerWaalsContact CB-SG 3.55Å; H143-C153 PolarHBondContact ND1-SG 2.81Å; H143-C155 PolarHBondContact ND1-SG 2.82Å; H143-C158 PolarHBondContact CE1-SG 2.96Å | ||
| 144 | L | 81.3 | Confident | 69.5 | Low | 48 Ų | 48 | 87.2 Ų | 87.2 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | trans | -75.2 | -25 | -165.7 | -64.6 | 167.6 | 0 | 0 | 0 | 112.6 | D142 K272 V273 | D142-L144 HydrophobicContact CB-CD1 4.26Å; D142-L144 HydrophobicContact CB-CD2 3.74Å; D142-L144 HydrophobicContact CB-CG 3.68Å; D142-L144 WeakPolarHBondContact O-CG 3.37Å; D142-L144 PolarHBondContact O-N 3.25Å; L144-K272 VanDerWaalsContact O-CA 3.32Å; L144-K272 WeakPolarHBondContact O-CA 3.29Å; L144-V273 HydrophobicContact CD2-CG2 4.4Å; L144-V273 WeakPolarHBondContact CD2-O 3.26Å; L144-V273 PolarHBondContact O-N 2.9Å | ||
| 145 | F | 84.8 | Confident | 72.1 | Confident | 110 Ų | 110 | 78.8 Ų | 78.8 | 48% | 0.482 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 96.9 | -176.2 | -61.7 | -79.1 | 0 | 0 | 0 | 110.4 | H143 C153 K154 C270 | H143-F145 PolarHBondContact O-N 3.18Å; F145-C153 CarbonylContact O-C 3.6Å; F145-C153 WeakPolarHBondContact O-CA 3.25Å; F145-K154 HydrophobicContact CB-CB 4.3Å; F145-K154 PolarHBondContact O-N 3.33Å; F145-C270 HydrophobicContact CD1-CB 4.25Å |
| 146 | I | 89.2 | Confident | 74.5 | Confident | 40 Ų | 40 | 77 Ų | 77 | 21% | 0.205 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.1 | 177.5 | -53.5 | -54.6 | 0 | 0 | 0 | 110.2 | H143 G151 C153 C270 R271 | H143-I146 VanDerWaalsContact O-CD1 3.26Å; H143-I146 WeakPolarHBondContact O-CD1 3Å; I146-G151 VanDerWaalsContact CG2-C 3.43Å; I146-G151 VanDerWaalsContact CG2-O 3.27Å; I146-G151 WeakPolarHBondContact CG2-O 3.11Å; I146-C153 HydrophobicContact CD1-CB 4.05Å; I146-C270 WeakPolarHBondContact O-CA 3.33Å; I146-R271 PolarHBondContact N-O 3.4Å; I146-R271 PolarHBondContact O-N 3.28Å |
| 147 | C | 88.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.5 | 174.9 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | E149 C150 G151 R152 K154 C260 | C147-E149 VanDerWaalsContact C-N 3.32Å; C147-E149 PolarHBondContact O-N 3.29Å; C147-C150 VanDerWaalsContact CB-SG 3.58Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 3.32Å; C147-R152 WeakPolarHBondContact CB-O 3.48Å; C147-R152 PolarHBondContact N-O 3.08Å; C147-K154 HydrophobicContact CB-CD 4.41Å; C147-K154 HydrophobicContact CB-CG 4.34Å; C147-C260 HydrophobicContact CB-CB 4Å |
| 148 | E | 86 | Confident | 79 | Confident | 91 Ų | 91 | 68.9 Ų | 68.9 | 43% | 0.425 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.3 | 176 | -74.3 | -165.1 | 142 | 0 | 0 | 114 | V269 R271 | E148-V269 WeakPolarHBondContact CG-O 3.22Å; E148-R271 HydrophobicContact CG-CG 3.79Å; E148-R271 VanDerWaalsContact OE1-CG 3.23Å; E148-R271 WeakPolarHBondContact OE1-CG 3.3Å; E148-R271 IonicContact OE1-CZ 3.44Å; E148-R271 IonicContact OE1-NE 2.74Å; E148-R271 PolarHBondContact OE1-NE 2.95Å; E148-R271 IonicContact OE1-NH2 3.52Å; E148-R271 PolarHBondContact OE1-NH2 3.3Å |
| 149 | E | 86.1 | Confident | 81.6 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -37.3 | 179.8 | -65.9 | -175.3 | 163.6 | 0 | 0 | 113.1 | C147 C262 T268 | C147-E149 VanDerWaalsContact C-N 3.32Å; C147-E149 PolarHBondContact O-N 3.29Å; E149-C262 WeakPolarHBondContact OE2-CB 3.42Å; E149-C262 PolarHBondContact OE2-SG 3.32Å; E149-C262 VanDerWaalsContact OE2-SG 3.42Å; E149-T268 HydrophobicContact CG-CG2 3.7Å; E149-T268 VanDerWaalsContact OE1-CG2 3.23Å; E149-T268 WeakPolarHBondContact OE1-CG2 3.25Å |
| 150 | C | 87.9 | Confident | 83.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 35% | 0.345 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -1.9 | -171.9 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | C147 R152 C260 C262 | C147-C150 VanDerWaalsContact CB-SG 3.58Å; C150-R152 PolarHBondContact O-N 2.07Å; C150-R152 VanDerWaalsContact O-N 3.16Å; C150-C260 PolarHBondContact SG-SG 3.22Å; C150-C262 VanDerWaalsContact SG-SG 3.62Å |
| 151 | G | 86.2 | Confident | 85.4 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | trans | 68.5 | 7.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I146 C147 | I146-G151 VanDerWaalsContact CG2-C 3.43Å; I146-G151 VanDerWaalsContact CG2-O 3.27Å; I146-G151 WeakPolarHBondContact CG2-O 3.11Å; C147-G151 WeakPolarHBondContact O-CA 3.32Å; C147-G151 PolarHBondContact O-N 3.32Å | ||
| 152 | R | 89.6 | Confident | 86.9 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | trans | -96.2 | 151.5 | -177 | -61.2 | -176.8 | -177.1 | -144.3 | -0.3 | 112.9 | C147 C150 G259 C260 | C147-R152 WeakPolarHBondContact CB-O 3.48Å; C147-R152 PolarHBondContact N-O 3.08Å; C150-R152 PolarHBondContact O-N 2.07Å; C150-R152 VanDerWaalsContact O-N 3.16Å; R152-G259 VanDerWaalsContact CD-O 3.29Å; R152-G259 WeakPolarHBondContact CD-O 3.43Å; R152-C260 HydrophobicContact CB-CB 4.13Å | ||
| 153 | C | 90.3 | Very high | 87.8 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 140.5 | 176.4 | -165.7 | 0 | 0 | 0 | 0 | 112 | H143 F145 I146 C155 C158 G259 C260 | H143-C153 HydrophobicContact CB-CB 4.22Å; H143-C153 VanDerWaalsContact CB-SG 3.55Å; H143-C153 PolarHBondContact ND1-SG 2.81Å; F145-C153 CarbonylContact O-C 3.6Å; F145-C153 WeakPolarHBondContact O-CA 3.25Å; I146-C153 HydrophobicContact CD1-CB 4.05Å; C153-C155 WeakPolarHBondContact CB-SG 3.19Å; C153-C155 WeakPolarHBondContact SG-CB 3.23Å; C153-C155 PolarHBondContact SG-N 3.35Å; C153-C155 CovalentContact SG-SG 2.07Å; C153-C155 PolarHBondContact SG-SG 3.31Å; C153-C158 HydrophobicContact CB-CB 3.88Å; C153-G259 CarbonylContact O-C 3.53Å; C153-G259 WeakPolarHBondContact O-CA 3.48Å; C153-C260 PolarHBondContact O-N 3.48Å |
| 154 | K | 88.4 | Confident | 88.3 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 18% | 0.183 | 33% | 0.333 | C | S | . | . | trans | -101.3 | -5.1 | 173.3 | -73.5 | 179.9 | 173.7 | -169 | 0 | 114 | F145 C147 T159 C260 T268 C270 | F145-K154 HydrophobicContact CB-CB 4.3Å; F145-K154 PolarHBondContact O-N 3.33Å; C147-K154 HydrophobicContact CB-CD 4.41Å; C147-K154 HydrophobicContact CB-CG 4.34Å; K154-T159 WeakPolarHBondContact O-CG2 3.27Å; K154-T159 PolarHBondContact O-OG1 3.31Å; K154-C260 HydrophobicContact CG-CB 3.8Å; K154-T268 PolarHBondContact NZ-O 3.2Å; K154-T268 PolarHBondContact NZ-OG1 2.74Å; K154-C270 VanDerWaalsContact CD-SG 3.53Å; K154-C270 PolarHBondContact NZ-SG 2.94Å | ||
| 155 | C | 87.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -52.6 | 143.6 | 175.5 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | H143 C153 P157 C158 T159 | H143-C155 PolarHBondContact ND1-SG 2.82Å; C153-C155 WeakPolarHBondContact CB-SG 3.19Å; C153-C155 WeakPolarHBondContact SG-CB 3.23Å; C153-C155 PolarHBondContact SG-N 3.35Å; C153-C155 CovalentContact SG-SG 2.07Å; C153-C155 PolarHBondContact SG-SG 3.31Å; C155-P157 VanDerWaalsContact C-CD 3.44Å; C155-P157 VanDerWaalsContact C-N 3.31Å; C155-C158 PolarHBondContact O-N 3.44Å; C155-C158 WeakPolarHBondContact SG-CB 3.3Å; C155-C158 PolarHBondContact SG-SG 3.28Å; C155-T159 PolarHBondContact O-N 3.29Å; C155-T159 PolarHBondContact O-OG1 3.2Å; C155-T159 VanDerWaalsContact O-OG1 3.04Å |
| 156 | V | 87.3 | Confident | 89.2 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 72% | 0.721 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -50 | -43.6 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 112.7 | C158 T159 A160 | V156-C158 VanDerWaalsContact C-N 3.31Å; V156-C158 PolarHBondContact O-N 3.34Å; V156-T159 CarbonylContact O-C 3.51Å; V156-T159 PolarHBondContact O-N 3.04Å; V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.46Å; V156-A160 PolarHBondContact O-N 3.45Å |
| 157 | P | 89 | Confident | 89.5 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -31.7 | 179.1 | -23.9 | 35.9 | 0 | 0 | 0 | 114 | C155 R162 | C155-P157 VanDerWaalsContact C-CD 3.44Å; C155-P157 VanDerWaalsContact C-N 3.31Å; P157-R162 PolarHBondContact O-NH1 3.39Å; P157-R162 PolarHBondContact O-NH2 3.25Å |
| 158 | C | 89.5 | Confident | 89.8 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -84.6 | -28.3 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | H143 C153 C155 V156 R257 P258 G259 | H143-C158 PolarHBondContact CE1-SG 2.96Å; C153-C158 HydrophobicContact CB-CB 3.88Å; C155-C158 PolarHBondContact O-N 3.44Å; C155-C158 WeakPolarHBondContact SG-CB 3.3Å; C155-C158 PolarHBondContact SG-SG 3.28Å; V156-C158 VanDerWaalsContact C-N 3.31Å; V156-C158 PolarHBondContact O-N 3.34Å; C158-R257 WeakPolarHBondContact O-CG 3.4Å; C158-P258 HydrophobicContact CB-CG 4.24Å; C158-G259 WeakPolarHBondContact O-CA 3.31Å; C158-G259 PolarHBondContact O-N 2.99Å |
| 159 | T | 89.1 | Confident | 90.1 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -97 | 5.8 | 176.8 | 59.5 | 0 | 0 | 0 | 0 | 113 | K154 C155 V156 R257 | K154-T159 WeakPolarHBondContact O-CG2 3.27Å; K154-T159 PolarHBondContact O-OG1 3.31Å; C155-T159 PolarHBondContact O-N 3.29Å; C155-T159 PolarHBondContact O-OG1 3.2Å; C155-T159 VanDerWaalsContact O-OG1 3.04Å; V156-T159 CarbonylContact O-C 3.51Å; V156-T159 PolarHBondContact O-N 3.04Å; T159-R257 PolarHBondContact O-NH1 3.3Å; T159-R257 PolarHBondContact O-NH2 3.08Å |
| 160 | A | 90 | Very high | 90.4 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 28% | 0.281 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -70.3 | 143.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V156 R257 | V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.46Å; V156-A160 PolarHBondContact O-N 3.45Å; A160-R257 PolarHBondContact O-NE 3.17Å; A160-R257 PolarHBondContact O-NH2 3.22Å |
| 161 | V | 89.8 | Confident | 90.6 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | trans | -65.4 | 134 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | P163 D253 | V161-P163 VanDerWaalsContact O-CD 3.3Å; V161-P163 WeakPolarHBondContact O-CD 3.39Å; V161-D253 WeakPolarHBondContact CA-OD1 3.4Å; V161-D253 HydrophobicContact CG1-CB 4.4Å | ||
| 162 | R | 91.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 75.5 Ų | 75.5 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | trans | -90.8 | 107.2 | 175 | -64.7 | -55.4 | -172.7 | -137.6 | -3.6 | 109.4 | P157 Q249 Y252 D253 | P157-R162 PolarHBondContact O-NH1 3.39Å; P157-R162 PolarHBondContact O-NH2 3.25Å; R162-Q249 PolarHBondContact O-NE2 2.81Å; R162-Y252 HydrophobicContact CB-CD1 4.45Å; R162-Y252 HydrophobicContact CB-CE1 4.18Å; R162-D253 PolarHBondContact N-OD1 3.1Å | ||
| 163 | P | 90.3 | Very high | 90.8 | Very high | 92 Ų | 92 | 79.1 Ų | 79.1 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 160.3 | 174 | 30.7 | -35.3 | 0 | 0 | 0 | 110.3 | V161 Y252 | V161-P163 VanDerWaalsContact O-CD 3.3Å; V161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-Y252 VanDerWaalsContact O-CE1 3.3Å; P163-Y252 WeakPolarHBondContact O-CE1 3.2Å |
| 164 | L | 92.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 81.7 Ų | 81.7 | 19% | 0.188 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 144.9 | 169 | -99.8 | 73.9 | 0 | 0 | 0 | 109.9 | S166 A178 L245 Q249 | L164-S166 PolarHBondContact O-N 2.76Å; L164-A178 HydrophobicContact CD2-CB 3.55Å; L164-L245 HydrophobicContact CD2-CD2 3.48Å; L164-L245 VanDerWaalsContact CD2-CD2 3.48Å; L164-Q249 HydrophobicContact CD1-CB 3.59Å; L164-Q249 HydrophobicContact CD1-CG 4.02Å |
| 165 | P | 92.3 | Very high | 91 | Very high | 93 Ų | 93 | 82.7 Ų | 82.7 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 139.7 | 175.4 | 27.7 | -33.7 | 0 | 0 | 0 | 110 | ||
| 166 | S | 93.9 | Very high | 91.3 | Very high | 75 Ų | 75 | 85 Ų | 85 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | trans | -129.8 | 147.7 | 169.2 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | L164 C176 | L164-S166 PolarHBondContact O-N 2.76Å; S166-C176 CarbonylContact C-O 3.55Å; S166-C176 VanDerWaalsContact CA-O 3.24Å; S166-C176 WeakPolarHBondContact CA-O 3.19Å | ||
| 167 | C | 93.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 79.9 Ų | 79.9 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.6 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | C176 | C167-C176 PolarHBondContact N-O 2.96Å; C167-C176 WeakPolarHBondContact O-CA 3.48Å; C167-C176 VanDerWaalsContact O-CB 3.31Å; C167-C176 WeakPolarHBondContact O-CB 3.33Å; C167-C176 PolarHBondContact O-N 2.89Å |
| 168 | W | 94.4 | Very high | 91.9 | Very high | 137 Ų | 137 | 77.8 Ų | 77.8 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 136.5 | 171.3 | -73.4 | 93.7 | 0 | 0 | 0 | 109.7 | C174 L175 | W168-C174 CarbonylContact C-O 3.59Å; W168-C174 WeakPolarHBondContact CA-O 3.31Å; W168-L175 HydrophobicContact CD2-CB 4.36Å; W168-L175 HydrophobicContact CD2-CD1 4.05Å; W168-L175 HydrophobicContact CE3-CB 4.12Å; W168-L175 HydrophobicContact CG-CD1 4.31Å; W168-L175 HydrophobicContact CH2-CB 4.05Å; W168-L175 HydrophobicContact CZ2-CB 4.28Å; W168-L175 HydrophobicContact CZ2-CD1 4.15Å; W168-L175 HydrophobicContact CZ3-CB 3.97Å |
| 169 | M | 93.7 | Very high | 92 | Very high | 104 Ų | 104 | 82 Ų | 82 | 51% | 0.512 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 171.6 | 179.9 | -65 | -165.9 | 137.7 | 0 | 0 | 110.4 | N171 Q172 R173 C174 C176 | M169-N171 PolarHBondContact O-N 2.95Å; M169-Q172 PolarHBondContact O-N 3.42Å; M169-R173 PolarHBondContact O-N 3.07Å; M169-R173 VanDerWaalsContact O-N 3.1Å; M169-C174 HydrophobicContact CB-CB 4.41Å; M169-C174 PolarHBondContact N-O 3.49Å; M169-C174 PolarHBondContact O-N 2.93Å; M169-C174 VanDerWaalsContact O-N 3.07Å; M169-C176 HydrophobicContact CG-CB 4.17Å; M169-C176 HydrophobicContact SD-CB 4.04Å |
| 170 | C | 91.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 81.2 Ų | 81.2 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 51.1 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | R173 C174 | C170-R173 HydrophobicContact CB-CB 4.47Å; C170-R173 WeakPolarHBondContact O-CB 3.48Å; C170-R173 VanDerWaalsContact O-CG 3.31Å; C170-R173 WeakPolarHBondContact O-CG 3.41Å; C170-R173 PolarHBondContact O-N 2.76Å; C170-C174 HydrophobicContact CB-CB 4.3Å |
| 171 | N | 92.6 | Very high | 92.3 | Very high | 142 Ų | 142 | 85.9 Ų | 85.9 | 76% | 0.759 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 50.7 | -176.4 | -57.8 | -45.7 | 0 | 0 | 0 | 112.7 | M169 R173 | M169-N171 PolarHBondContact O-N 2.95Å; N171-R173 VanDerWaalsContact C-N 3.28Å; N171-R173 PolarHBondContact O-N 2.77Å |
| 172 | Q | 90.3 | Very high | 92.4 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 25.1 | 179.5 | -50 | -63.6 | 87.8 | 0 | 0 | 115.2 | M169 | M169-Q172 PolarHBondContact O-N 3.42Š|
| 173 | R | 89.8 | Confident | 92.5 | Very high | 194 Ų | 194 | 80 Ų | 80 | 73% | 0.732 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -28.2 | 178.6 | -60.8 | -175.6 | -148.4 | 161.1 | 3.8 | 113.9 | M169 C170 N171 | M169-R173 PolarHBondContact O-N 3.07Å; M169-R173 VanDerWaalsContact O-N 3.1Å; C170-R173 HydrophobicContact CB-CB 4.47Å; C170-R173 WeakPolarHBondContact O-CB 3.48Å; C170-R173 VanDerWaalsContact O-CG 3.31Å; C170-R173 WeakPolarHBondContact O-CG 3.41Å; C170-R173 PolarHBondContact O-N 2.76Å; N171-R173 VanDerWaalsContact C-N 3.28Å; N171-R173 PolarHBondContact O-N 2.77Å |
| 174 | C | 89.6 | Confident | 92.6 | Very high | 64 Ų | 64 | 83.7 Ų | 83.7 | 43% | 0.432 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.3 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | W168 M169 C170 C176 | W168-C174 CarbonylContact C-O 3.59Å; W168-C174 WeakPolarHBondContact CA-O 3.31Å; M169-C174 HydrophobicContact CB-CB 4.41Å; M169-C174 PolarHBondContact N-O 3.49Å; M169-C174 PolarHBondContact O-N 2.93Å; M169-C174 VanDerWaalsContact O-N 3.07Å; C170-C174 HydrophobicContact CB-CB 4.3Å; C174-C176 PolarHBondContact O-N 2.96Å |
| 175 | L | 93.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 84.5 Ų | 84.5 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 111.8 | 170 | -178.4 | 64.7 | 0 | 0 | 0 | 108.9 | W168 S177 S180 | W168-L175 HydrophobicContact CD2-CB 4.36Å; W168-L175 HydrophobicContact CD2-CD1 4.05Å; W168-L175 HydrophobicContact CE3-CB 4.12Å; W168-L175 HydrophobicContact CG-CD1 4.31Å; W168-L175 HydrophobicContact CH2-CB 4.05Å; W168-L175 HydrophobicContact CZ2-CB 4.28Å; W168-L175 HydrophobicContact CZ2-CD1 4.15Å; W168-L175 HydrophobicContact CZ3-CB 3.97Å; L175-S177 PolarHBondContact O-N 2.8Å; L175-S180 VanDerWaalsContact O-CB 3.32Å; L175-S180 WeakPolarHBondContact O-CB 3.24Å; L175-S180 PolarHBondContact O-OG 3.16Å |
| 176 | C | 93 | Very high | 92.6 | Very high | 65 Ų | 65 | 80.4 Ų | 80.4 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 90.3 | 168.9 | -171.5 | 0 | 0 | 0 | 0 | 108 | S166 C167 M169 C174 | S166-C176 CarbonylContact C-O 3.55Å; S166-C176 VanDerWaalsContact CA-O 3.24Å; S166-C176 WeakPolarHBondContact CA-O 3.19Å; C167-C176 PolarHBondContact N-O 2.96Å; C167-C176 WeakPolarHBondContact O-CA 3.48Å; C167-C176 VanDerWaalsContact O-CB 3.31Å; C167-C176 WeakPolarHBondContact O-CB 3.33Å; C167-C176 PolarHBondContact O-N 2.89Å; M169-C176 HydrophobicContact CG-CB 4.17Å; M169-C176 HydrophobicContact SD-CB 4.04Å; C174-C176 PolarHBondContact O-N 2.96Å |
| 177 | S | 94.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 78.1 Ų | 78.1 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | trans | -120.3 | 163.7 | 167.2 | 89.2 | 0 | 0 | 0 | 0 | 109.9 | L175 E179 S180 L181 | L175-S177 PolarHBondContact O-N 2.8Å; S177-E179 WeakPolarHBondContact CB-OE2 3.32Å; S177-E179 PolarHBondContact O-N 3.46Å; S177-E179 PolarHBondContact OG-N 3.3Å; S177-E179 PolarHBondContact OG-OE2 3.25Å; S177-S180 PolarHBondContact O-N 3.4Å; S177-S180 PolarHBondContact OG-N 2.72Å; S177-S180 VanDerWaalsContact OG-N 3.14Å; S177-S180 PolarHBondContact OG-OG 3.35Å; S177-L181 PolarHBondContact O-N 2.88Å | ||
| 178 | A | 93.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 75.3 Ų | 75.3 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L164 L181 L182 L245 | L164-A178 HydrophobicContact CD2-CB 3.55Å; A178-L181 PolarHBondContact O-N 2.71Å; A178-L182 WeakPolarHBondContact O-CG 3.29Å; A178-L182 PolarHBondContact O-N 3.3Å; A178-L245 HydrophobicContact CB-CD1 3.77Å; A178-L245 HydrophobicContact CB-CD2 3.47Å; A178-L245 VanDerWaalsContact CB-CD2 3.47Å; A178-L245 HydrophobicContact CB-CG 4.25Å |
| 179 | E | 92.3 | Very high | 92.4 | Very high | 98 Ų | 98 | 71 Ų | 71 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 174.6 | -56.9 | 72.6 | -158.4 | 0 | 0 | 111.5 | S177 L181 L182 D183 | S177-E179 WeakPolarHBondContact CB-OE2 3.32Å; S177-E179 PolarHBondContact O-N 3.46Å; S177-E179 PolarHBondContact OG-N 3.3Å; S177-E179 PolarHBondContact OG-OE2 3.25Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.07Å; E179-L182 WeakPolarHBondContact O-CB 3.33Å; E179-L182 PolarHBondContact O-N 3.48Å; E179-D183 PolarHBondContact O-N 2.61Å |
| 180 | S | 91.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | L175 S177 L182 D183 Y184 | L175-S180 VanDerWaalsContact O-CB 3.32Å; L175-S180 WeakPolarHBondContact O-CB 3.24Å; L175-S180 PolarHBondContact O-OG 3.16Å; S177-S180 PolarHBondContact O-N 3.4Å; S177-S180 PolarHBondContact OG-N 2.72Å; S177-S180 VanDerWaalsContact OG-N 3.14Å; S177-S180 PolarHBondContact OG-OG 3.35Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.19Å; S180-D183 PolarHBondContact O-N 3.38Å; S180-Y184 WeakPolarHBondContact O-CD2 3.3Å; S180-Y184 PolarHBondContact O-N 3.14Å |
| 181 | L | 93.1 | Very high | 92.1 | Very high | 131 Ų | 131 | 65.1 Ų | 65.1 | 69% | 0.686 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 175.8 | -178.7 | 62.3 | 0 | 0 | 0 | 112.1 | S177 A178 E179 G185 | S177-L181 PolarHBondContact O-N 2.88Å; A178-L181 PolarHBondContact O-N 2.71Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 3.07Å; L181-G185 WeakPolarHBondContact O-CA 3.3Å; L181-G185 PolarHBondContact O-N 3.33Å |
| 182 | L | 93.6 | Very high | 92 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 172.6 | -74.5 | -175.9 | 0 | 0 | 0 | 111.7 | A178 E179 S180 Y184 G185 T186 T241 R242 L245 | A178-L182 WeakPolarHBondContact O-CG 3.29Å; A178-L182 PolarHBondContact O-N 3.3Å; E179-L182 WeakPolarHBondContact O-CB 3.33Å; E179-L182 PolarHBondContact O-N 3.48Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.19Å; L182-Y184 VanDerWaalsContact C-N 3.35Å; L182-Y184 PolarHBondContact O-N 3.22Å; L182-G185 PolarHBondContact O-N 3.26Å; L182-T186 WeakPolarHBondContact O-CB 3.33Å; L182-T186 WeakPolarHBondContact O-CG2 3.23Å; L182-T186 PolarHBondContact O-N 3.49Å; L182-T186 PolarHBondContact O-OG1 3.25Å; L182-T241 WeakPolarHBondContact CD2-OG1 3.32Å; L182-R242 HydrophobicContact CD1-CB 4.31Å; L182-L245 HydrophobicContact CD1-CB 4.18Å; L182-L245 HydrophobicContact CD1-CD1 3.22Å; L182-L245 HydrophobicContact CD1-CG 4.31Å; L182-L245 HydrophobicContact CD2-CD1 3.82Å; L182-L245 HydrophobicContact CG-CD1 3.3Å |
| 183 | D | 92.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | -175.3 | -78.5 | -8.5 | 0 | 0 | 0 | 111.8 | E179 S180 C187 L188 C189 K192 | E179-D183 PolarHBondContact O-N 2.61Å; S180-D183 PolarHBondContact O-N 3.38Å; D183-C187 CarbonylContact O-C 3.57Å; D183-C187 PolarHBondContact O-N 2.71Å; D183-L188 PolarHBondContact O-N 2.82Å; D183-L188 WeakPolarHBondContact OD1-CD2 3.21Å; D183-C189 PolarHBondContact O-N 3.4Å; D183-C189 VanDerWaalsContact O-N 3.13Å; D183-K192 IonicContact OD1-NZ 2.66Å; D183-K192 IonicContact OD2-NZ 3.1Å; D183-K192 PolarHBondContact OD2-NZ 2.98Å |
| 184 | Y | 92.2 | Very high | 91.7 | Very high | 168 Ų | 168 | 50.5 Ų | 50.5 | 66% | 0.659 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.7 | -38.9 | 177.4 | -64.6 | -63.7 | 0 | 0 | 0 | 112.5 | S180 L182 C187 C189 | S180-Y184 WeakPolarHBondContact O-CD2 3.3Å; S180-Y184 PolarHBondContact O-N 3.14Å; L182-Y184 VanDerWaalsContact C-N 3.35Å; L182-Y184 PolarHBondContact O-N 3.22Å; Y184-C187 PolarHBondContact O-N 3.1Å; Y184-C189 HydrophobicContact CD1-CB 4.14Å; Y184-C189 HydrophobicContact CE1-CB 4.24Å |
| 185 | G | 91.9 | Very high | 91.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -73.4 | -29.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L181 L182 | L181-G185 WeakPolarHBondContact O-CA 3.3Å; L181-G185 PolarHBondContact O-N 3.33Å; L182-G185 PolarHBondContact O-N 3.26Å |
| 186 | T | 93.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2 | 178.9 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | L182 L188 C234 L235 Y238 | L182-T186 WeakPolarHBondContact O-CB 3.33Å; L182-T186 WeakPolarHBondContact O-CG2 3.23Å; L182-T186 PolarHBondContact O-N 3.49Å; L182-T186 PolarHBondContact O-OG1 3.25Å; T186-L188 PolarHBondContact O-N 3.24Å; T186-C234 CarbonylContact O-C 3.33Å; T186-L235 WeakPolarHBondContact O-CA 2.94Å; T186-L235 WeakPolarHBondContact O-CD2 3.36Å; T186-L235 PolarHBondContact O-N 3.42Å; T186-Y238 HydrophobicContact CG2-CD2 4.32Å; T186-Y238 WeakPolarHBondContact OG1-CD2 3.41Å |
| 187 | C | 93.3 | Very high | 90.8 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 19.5 | -178.1 | -37.4 | 0 | 0 | 0 | 0 | 114.3 | D183 Y184 C189 C190 L232 C234 | D183-C187 CarbonylContact O-C 3.57Å; D183-C187 PolarHBondContact O-N 2.71Å; Y184-C187 PolarHBondContact O-N 3.1Å; C187-C189 PolarHBondContact O-N 2.76Å; C187-C190 WeakPolarHBondContact O-CB 3.46Å; C187-C190 PolarHBondContact O-N 3.22Å; C187-C190 VanDerWaalsContact O-N 3.09Å; C187-L232 HydrophobicContact CB-CB 4.44Å; C187-L232 HydrophobicContact CB-CD2 3.35Å; C187-L232 HydrophobicContact CB-CG 4.49Å; C187-C234 HydrophobicContact CB-CB 4.33Å; C187-C234 WeakPolarHBondContact CB-SG 3.22Å; C187-C234 WeakPolarHBondContact SG-CB 3.26Å; C187-C234 CovalentContact SG-SG 2.07Å; C187-C234 PolarHBondContact SG-SG 3.17Å |
| 188 | L | 91.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -26.1 | 174.3 | -165.7 | 75.1 | 0 | 0 | 0 | 111.7 | D183 T186 C190 V191 K192 P210 L235 Y238 | D183-L188 PolarHBondContact O-N 2.82Å; D183-L188 WeakPolarHBondContact OD1-CD2 3.21Å; T186-L188 PolarHBondContact O-N 3.24Å; L188-C190 PolarHBondContact O-N 2.91Å; L188-V191 HydrophobicContact CD1-CB 4.18Å; L188-V191 HydrophobicContact CD1-CG1 4.1Å; L188-V191 HydrophobicContact CD1-CG2 4.44Å; L188-V191 VanDerWaalsContact O-CB 3.3Å; L188-V191 WeakPolarHBondContact O-CB 3.18Å; L188-V191 PolarHBondContact O-N 3.4Å; L188-V191 VanDerWaalsContact O-N 3.09Å; L188-K192 WeakPolarHBondContact O-CG 3.2Å; L188-K192 PolarHBondContact O-N 3.27Å; L188-P210 HydrophobicContact CD1-CG 4.08Å; L188-P210 HydrophobicContact CD2-CG 4.18Å; L188-P210 HydrophobicContact CG-CG 4.26Å; L188-L235 HydrophobicContact CB-CD2 4.46Å; L188-L235 HydrophobicContact CD1-CD2 4.12Å; L188-Y238 HydrophobicContact CB-CD2 4.48Å; L188-Y238 HydrophobicContact CD1-CD1 4.4Å; L188-Y238 HydrophobicContact CD1-CE1 4.39Å; L188-Y238 HydrophobicContact CD2-CD2 4.13Å; L188-Y238 HydrophobicContact CD2-CE1 4.12Å; L188-Y238 HydrophobicContact CD2-CE2 3.5Å; L188-Y238 VanDerWaalsContact CD2-CE2 3.5Å; L188-Y238 VanDerWaalsContact CD2-CZ 3.44Å; L188-Y238 WeakPolarHBondContact CD2-OH 3.37Å; L188-Y238 HydrophobicContact CG-CE2 4.47Å |
| 189 | C | 90.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.2 | -34.8 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | D183 Y184 C187 K192 G193 | D183-C189 PolarHBondContact O-N 3.4Å; D183-C189 VanDerWaalsContact O-N 3.13Å; Y184-C189 HydrophobicContact CD1-CB 4.14Å; Y184-C189 HydrophobicContact CE1-CB 4.24Å; C187-C189 PolarHBondContact O-N 2.76Å; C189-K192 PolarHBondContact O-N 3.01Å; C189-G193 PolarHBondContact O-N 3.19Å |
| 190 | C | 90.9 | Very high | 87.4 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 177.9 | -58 | 0 | 0 | 0 | 0 | 111.7 | C187 L188 G193 L194 L232 | C187-C190 WeakPolarHBondContact O-CB 3.46Å; C187-C190 PolarHBondContact O-N 3.22Å; C187-C190 VanDerWaalsContact O-N 3.09Å; L188-C190 PolarHBondContact O-N 2.91Å; C190-G193 PolarHBondContact O-N 2.8Å; C190-L194 PolarHBondContact O-N 3.44Å; C190-L232 HydrophobicContact CB-CD2 4.24Å |
| 191 | V | 89.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 173.8 | 156.7 | 0 | 0 | 0 | 0 | 110.8 | L188 G193 L194 F195 P210 M225 I228 L235 | L188-V191 HydrophobicContact CD1-CB 4.18Å; L188-V191 HydrophobicContact CD1-CG1 4.1Å; L188-V191 HydrophobicContact CD1-CG2 4.44Å; L188-V191 VanDerWaalsContact O-CB 3.3Å; L188-V191 WeakPolarHBondContact O-CB 3.18Å; L188-V191 PolarHBondContact O-N 3.4Å; L188-V191 VanDerWaalsContact O-N 3.09Å; V191-G193 VanDerWaalsContact C-N 3.29Å; V191-G193 PolarHBondContact O-N 3.09Å; V191-L194 PolarHBondContact O-N 2.92Å; V191-F195 HydrophobicContact CG1-CD2 4.14Å; V191-F195 HydrophobicContact CG1-CE2 4.13Å; V191-F195 PolarHBondContact O-N 3.22Å; V191-P210 HydrophobicContact CG1-CB 3.46Å; V191-P210 VanDerWaalsContact CG1-CB 3.46Å; V191-P210 HydrophobicContact CG1-CG 4.18Å; V191-M225 HydrophobicContact CB-CE 3.85Å; V191-M225 HydrophobicContact CB-SD 3.85Å; V191-M225 HydrophobicContact CG1-CE 3.36Å; V191-M225 HydrophobicContact CG1-SD 3.22Å; V191-M225 WeakPolarHBondContact CG1-SD 3.38Å; V191-M225 HydrophobicContact CG2-CE 3.54Å; V191-M225 HydrophobicContact CG2-SD 3.38Å; V191-M225 WeakPolarHBondContact CG2-SD 3.3Å; V191-I228 HydrophobicContact CG2-CD1 4.2Å; V191-I228 HydrophobicContact CG2-CG2 4.31Å; V191-L235 HydrophobicContact CG2-CD1 3.82Å; V191-L235 HydrophobicContact CG2-CD2 3.65Å; V191-L235 HydrophobicContact CG2-CG 4.42Å |
| 192 | K | 89.4 | Confident | 84.1 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 177.6 | -65.1 | -175.3 | 173.2 | 176.2 | 0 | 110.8 | D183 L188 C189 F195 Y196 A207 P210 | D183-K192 IonicContact OD1-NZ 2.66Å; D183-K192 IonicContact OD2-NZ 3.1Å; D183-K192 PolarHBondContact OD2-NZ 2.98Å; L188-K192 WeakPolarHBondContact O-CG 3.2Å; L188-K192 PolarHBondContact O-N 3.27Å; C189-K192 PolarHBondContact O-N 3.01Å; K192-F195 PolarHBondContact O-N 3.44Å; K192-Y196 VanDerWaalsContact O-CB 3.3Å; K192-Y196 WeakPolarHBondContact O-CB 3.32Å; K192-Y196 PolarHBondContact O-N 3.28Å; K192-A207 WeakPolarHBondContact CG-O 3.44Å; K192-P210 HydrophobicContact CG-CG 4.31Å |
| 193 | G | 88.4 | Confident | 82.5 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | C189 C190 V191 Y196 H197 | C189-G193 PolarHBondContact O-N 3.19Å; C190-G193 PolarHBondContact O-N 2.8Å; V191-G193 VanDerWaalsContact C-N 3.29Å; V191-G193 PolarHBondContact O-N 3.09Å; G193-Y196 PolarHBondContact O-N 2.91Å; G193-H197 PolarHBondContact O-CD2 2.9Å; G193-H197 VanDerWaalsContact O-CD2 3.24Å; G193-H197 PolarHBondContact O-N 3.45Å |
| 194 | L | 86.3 | Confident | 81.1 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 176.2 | -176.4 | 68.8 | 0 | 0 | 0 | 111 | C190 V191 Y196 H197 C198 I228 | C190-L194 PolarHBondContact O-N 3.44Å; V191-L194 PolarHBondContact O-N 2.92Å; L194-Y196 VanDerWaalsContact C-N 3.29Å; L194-Y196 PolarHBondContact O-N 3.23Å; L194-H197 PolarHBondContact O-N 3.01Å; L194-H197 VanDerWaalsContact O-N 3.15Å; L194-C198 VanDerWaalsContact O-CB 3.31Å; L194-C198 WeakPolarHBondContact O-CB 3Å; L194-C198 PolarHBondContact O-N 3.49Å; L194-C198 PolarHBondContact O-SG 3.26Å; L194-I228 HydrophobicContact CD2-CD1 3.32Å; L194-I228 HydrophobicContact CD2-CG1 4.11Å |
| 195 | F | 86.6 | Confident | 79.9 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 177.4 | -74.6 | -15 | 0 | 0 | 0 | 112.3 | V191 K192 H197 C198 S199 C206 A207 P210 R221 A224 M225 | V191-F195 HydrophobicContact CG1-CD2 4.14Å; V191-F195 HydrophobicContact CG1-CE2 4.13Å; V191-F195 PolarHBondContact O-N 3.22Å; K192-F195 PolarHBondContact O-N 3.44Å; F195-H197 VanDerWaalsContact C-N 3.32Å; F195-H197 PolarHBondContact O-N 3.38Å; F195-C198 PolarHBondContact O-N 3.02Å; F195-S199 WeakPolarHBondContact O-CB 3.47Å; F195-S199 PolarHBondContact O-N 3.02Å; F195-S199 PolarHBondContact O-OG 2.84Å; F195-S199 VanDerWaalsContact O-OG 3.08Å; F195-C206 VanDerWaalsContact CD2-O 3.26Å; F195-C206 WeakPolarHBondContact CD2-O 3.48Å; F195-A207 HydrophobicContact CB-CB 4.34Å; F195-P210 HydrophobicContact CD2-CB 3.87Å; F195-P210 HydrophobicContact CE2-CB 3.79Å; F195-R221 HydrophobicContact CZ-CB 4Å; F195-R221 HydrophobicContact CZ-CG 4.23Å; F195-A224 HydrophobicContact CE1-CB 4.06Å; F195-M225 HydrophobicContact CE1-CE 3.84Å; F195-M225 HydrophobicContact CE2-CE 3.86Å; F195-M225 HydrophobicContact CE2-SD 4.39Å; F195-M225 HydrophobicContact CZ-CE 3.45Å; F195-M225 VanDerWaalsContact CZ-CE 3.45Å; F195-M225 HydrophobicContact CZ-CG 4.27Å; F195-M225 HydrophobicContact CZ-SD 4.35Å |
| 196 | Y | 84.8 | Confident | 78.7 | Confident | 160 Ų | 160 | 70 Ų | 70 | 63% | 0.627 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.1 | -39 | 172.9 | 179.7 | -100.5 | 0 | 0 | 0 | 112.9 | K192 G193 L194 S199 | K192-Y196 VanDerWaalsContact O-CB 3.3Å; K192-Y196 WeakPolarHBondContact O-CB 3.32Å; K192-Y196 PolarHBondContact O-N 3.28Å; G193-Y196 PolarHBondContact O-N 2.91Å; L194-Y196 VanDerWaalsContact C-N 3.29Å; L194-Y196 PolarHBondContact O-N 3.23Å; Y196-S199 PolarHBondContact O-OG 3.45Å |
| 197 | H | 84.5 | Confident | 77.6 | Confident | 156 Ų | 156 | 70.3 Ų | 70.3 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -80.7 | -22 | 177 | -77.7 | -60 | 0 | 0 | 0 | 114.1 | G193 L194 F195 | G193-H197 PolarHBondContact O-CD2 2.9Å; G193-H197 VanDerWaalsContact O-CD2 3.24Å; G193-H197 PolarHBondContact O-N 3.45Å; L194-H197 PolarHBondContact O-N 3.01Å; L194-H197 VanDerWaalsContact O-N 3.15Å; F195-H197 VanDerWaalsContact C-N 3.32Å; F195-H197 PolarHBondContact O-N 3.38Å |
| 198 | C | 75.3 | Confident | 76.7 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -96.1 | -17.7 | -179 | -67.6 | 0 | 0 | 0 | 0 | 113.7 | L194 F195 T200 | L194-C198 VanDerWaalsContact O-CB 3.31Å; L194-C198 WeakPolarHBondContact O-CB 3Å; L194-C198 PolarHBondContact O-N 3.49Å; L194-C198 PolarHBondContact O-SG 3.26Å; F195-C198 PolarHBondContact O-N 3.02Å; C198-T200 PolarHBondContact O-N 3.43Å |
| 199 | S | 73 | Confident | 75.9 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 24% | 0.238 | 43% | 0.429 | C | S | . | . | trans | -70.6 | 110.9 | 169.3 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | F195 Y196 D201 | F195-S199 WeakPolarHBondContact O-CB 3.47Å; F195-S199 PolarHBondContact O-N 3.02Å; F195-S199 PolarHBondContact O-OG 2.84Å; F195-S199 VanDerWaalsContact O-OG 3.08Å; Y196-S199 PolarHBondContact O-OG 3.45Å; S199-D201 PolarHBondContact O-N 2.79Å | ||
| 200 | T | 60.4 | Low | 74.9 | Confident | 142 Ų | 142 | 78 Ų | 78 | 87% | 0.871 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -79.5 | -5.3 | 179.8 | -165.2 | 0 | 0 | 0 | 0 | 113.1 | C198 | C198-T200 PolarHBondContact O-N 3.43Š|
| 201 | D | 58.4 | Low | 74 | Confident | 80 Ų | 80 | 77 Ų | 77 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -143.2 | 141.3 | -175.4 | -163.8 | 34.9 | 0 | 0 | 0 | 109 | S199 E203 D204 | S199-D201 PolarHBondContact O-N 2.79Å; D201-E203 PolarHBondContact O-N 3.27Å; D201-E203 WeakPolarHBondContact OD2-CB 3.26Å; D201-E203 VanDerWaalsContact OD2-CG 3.25Å; D201-E203 WeakPolarHBondContact OD2-CG 3.4Å; D201-D204 PolarHBondContact O-N 2.84Å |
| 202 | D | 59.1 | Low | 73.4 | Confident | 152 Ų | 152 | 79 Ų | 79 | 81% | 0.813 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -5.4 | -179.7 | 46.7 | -58 | 0 | 0 | 0 | 113.8 | D204 | D202-D204 VanDerWaalsContact C-N 3.32Š|
| 203 | E | 58.3 | Low | 72.3 | Confident | 155 Ų | 155 | 80.5 Ų | 80.5 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.6 | 175.4 | -62.6 | -79 | 125.3 | 0 | 0 | 112.9 | D201 N205 | D201-E203 PolarHBondContact O-N 3.27Å; D201-E203 WeakPolarHBondContact OD2-CB 3.26Å; D201-E203 VanDerWaalsContact OD2-CG 3.25Å; D201-E203 WeakPolarHBondContact OD2-CG 3.4Å; E203-N205 PolarHBondContact O-N 3.38Å |
| 204 | D | 63.9 | Low | 71.3 | Confident | 77 Ų | 77 | 80 Ų | 80 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | trans | -88.8 | 99.5 | -179.2 | -78.2 | -39 | 0 | 0 | 0 | 110.9 | D201 D202 C206 | D201-D204 PolarHBondContact O-N 2.84Å; D202-D204 VanDerWaalsContact C-N 3.32Å; D204-C206 HydrophobicContact CB-CB 4.41Å; D204-C206 PolarHBondContact O-N 3.32Å | ||
| 205 | N | 67.2 | Low | 70 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 26.3 | 171 | -164.2 | 53.1 | 0 | 0 | 0 | 113.6 | E203 A207 D208 E209 | E203-N205 PolarHBondContact O-N 3.38Å; N205-A207 VanDerWaalsContact C-N 3.35Å; N205-A207 PolarHBondContact O-N 2.92Å; N205-D208 WeakPolarHBondContact OD1-CB 3.47Å; N205-D208 PolarHBondContact OD1-OD2 2.82Å; N205-E209 PolarHBondContact ND2-OE2 3.38Å; N205-E209 PolarHBondContact O-N 3.45Å |
| 206 | C | 65.9 | Low | 68.7 | Low | 15 Ų | 15 | 86.8 Ų | 86.8 | 10% | 0.101 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -31.6 | -171.3 | -78 | 0 | 0 | 0 | 0 | 112.9 | F195 D204 R221 | F195-C206 VanDerWaalsContact CD2-O 3.26Å; F195-C206 WeakPolarHBondContact CD2-O 3.48Å; D204-C206 HydrophobicContact CB-CB 4.41Å; D204-C206 PolarHBondContact O-N 3.32Å; C206-R221 PolarHBondContact O-NH2 2.85Å; C206-R221 PolarHBondContact SG-NH1 2.71Å |
| 207 | A | 70.8 | Confident | 67.9 | Low | 15 Ų | 15 | 81.5 Ų | 81.5 | 12% | 0.124 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -35.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K192 F195 N205 | K192-A207 WeakPolarHBondContact CG-O 3.44Å; F195-A207 HydrophobicContact CB-CB 4.34Å; N205-A207 VanDerWaalsContact C-N 3.35Å; N205-A207 PolarHBondContact O-N 2.92Å |
| 208 | D | 74.1 | Confident | 67.5 | Low | 119 Ų | 119 | 75.5 Ų | 75.5 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -35.2 | -177.9 | -69 | -51.5 | 0 | 0 | 0 | 112.4 | N205 P210 | N205-D208 WeakPolarHBondContact OD1-CB 3.47Å; N205-D208 PolarHBondContact OD1-OD2 2.82Å; D208-P210 VanDerWaalsContact C-CD 3.42Å; D208-P210 VanDerWaalsContact O-CD 3.28Å; D208-P210 WeakPolarHBondContact O-CD 3.28Å |
| 209 | E | 75.4 | Confident | 67.7 | Low | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | trans | -120.5 | 64.7 | 179.7 | -62.3 | -169.1 | 121.1 | 0 | 0 | 112.9 | N205 C211 S212 R221 | N205-E209 PolarHBondContact ND2-OE2 3.38Å; N205-E209 PolarHBondContact O-N 3.45Å; E209-C211 PolarHBondContact O-N 3.03Å; E209-S212 WeakPolarHBondContact O-CB 3.37Å; E209-S212 PolarHBondContact O-N 3.29Å; E209-R221 PolarHBondContact O-NH2 3.41Å | ||
| 210 | P | 70.7 | Confident | 68.1 | Low | 10 Ų | 10 | 84.6 Ų | 84.6 | 7% | 0.065 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.9 | -172.1 | 24.5 | -35 | 0 | 0 | 0 | 114.3 | L188 V191 K192 F195 D208 | L188-P210 HydrophobicContact CD1-CG 4.08Å; L188-P210 HydrophobicContact CD2-CG 4.18Å; L188-P210 HydrophobicContact CG-CG 4.26Å; V191-P210 HydrophobicContact CG1-CB 3.46Å; V191-P210 VanDerWaalsContact CG1-CB 3.46Å; V191-P210 HydrophobicContact CG1-CG 4.18Å; K192-P210 HydrophobicContact CG-CG 4.31Å; F195-P210 HydrophobicContact CD2-CB 3.87Å; F195-P210 HydrophobicContact CE2-CB 3.79Å; D208-P210 VanDerWaalsContact C-CD 3.42Å; D208-P210 VanDerWaalsContact O-CD 3.28Å; D208-P210 WeakPolarHBondContact O-CD 3.28Å |
| 211 | C | 72.6 | Confident | 69.2 | Low | 42 Ų | 42 | 79.1 Ų | 79.1 | 28% | 0.284 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 11.6 | -179.3 | -50.9 | 0 | 0 | 0 | 0 | 114 | E209 | E209-C211 PolarHBondContact O-N 3.03Š|
| 212 | S | 76.4 | Confident | 70.5 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | trans | -78.4 | 135.8 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | E209 G214 | E209-S212 WeakPolarHBondContact O-CB 3.37Å; E209-S212 PolarHBondContact O-N 3.29Å; S212-G214 PolarHBondContact O-N 3.01Å | ||
| 213 | C | 66.2 | Low | 71.7 | Confident | 90 Ų | 90 | 76 Ų | 76 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | trans | -94.3 | 53.3 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 112 | W222 | C213-W222 PolarHBondContact SG-NE1 2.96Š| ||
| 214 | G | 67.9 | Low | 73.1 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 40% | 0.404 | C | S | . | . | trans | -66.4 | 155.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S212 S216 C218 | S212-G214 PolarHBondContact O-N 3.01Å; G214-S216 VanDerWaalsContact C-N 3.34Å; G214-S216 PolarHBondContact O-N 3.04Å; G214-C218 WeakPolarHBondContact O-CB 3.28Å | ||
| 215 | P | 58.3 | Low | 74.2 | Confident | 148 Ų | 148 | 67.4 Ų | 67.4 | 96% | 0.961 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.2 | -171.8 | 23.5 | -31.6 | 0 | 0 | 0 | 114.9 | ||
| 216 | S | 59.5 | Low | 75.2 | Confident | 84 Ų | 84 | 67.4 Ų | 67.4 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 128.4 | 171.5 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | G214 C218 | G214-S216 VanDerWaalsContact C-N 3.34Å; G214-S216 PolarHBondContact O-N 3.04Å; S216-C218 PolarHBondContact O-N 3.15Å |
| 217 | S | 68 | Low | 76.3 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 4.1 | 171.2 | 81.8 | 0 | 0 | 0 | 0 | 120.2 | F219 I220 R221 | S217-F219 VanDerWaalsContact C-N 3.35Å; S217-F219 PolarHBondContact O-N 2.73Å; S217-I220 PolarHBondContact O-N 3.09Å; S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 2.66Å; S217-R221 WeakPolarHBondContact OG-CD 3.38Å |
| 218 | C | 75.3 | Confident | 77.2 | Confident | 30 Ų | 30 | 72 Ų | 72 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -45.5 | -53.5 | 178.5 | -176 | 0 | 0 | 0 | 0 | 113.2 | G214 S216 I220 R221 W222 | G214-C218 WeakPolarHBondContact O-CB 3.28Å; S216-C218 PolarHBondContact O-N 3.15Å; C218-I220 VanDerWaalsContact C-N 3.35Å; C218-I220 PolarHBondContact O-N 2.9Å; C218-R221 PolarHBondContact O-N 3.13Å; C218-W222 PolarHBondContact O-N 2.94Å; C218-W222 PolarHBondContact SG-NE1 3.2Å; C218-W222 VanDerWaalsContact SG-NE1 3.4Å |
| 219 | F | 79.6 | Confident | 78 | Confident | 189 Ų | 189 | 67.6 Ų | 67.6 | 83% | 0.829 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | -179.4 | -72.2 | -75.3 | 0 | 0 | 0 | 114.1 | S217 A223 | S217-F219 VanDerWaalsContact C-N 3.35Å; S217-F219 PolarHBondContact O-N 2.73Å; F219-A223 VanDerWaalsContact O-CB 3.29Å; F219-A223 WeakPolarHBondContact O-CB 3.28Å; F219-A223 PolarHBondContact O-N 3.36Å |
| 220 | I | 82.3 | Confident | 78.6 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 64% | 0.641 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.3 | -41.2 | -179.6 | -64.3 | 169.3 | 0 | 0 | 0 | 109.8 | S217 C218 A223 A224 | S217-I220 PolarHBondContact O-N 3.09Å; C218-I220 VanDerWaalsContact C-N 3.35Å; C218-I220 PolarHBondContact O-N 2.9Å; I220-A223 PolarHBondContact O-N 2.97Å; I220-A224 WeakPolarHBondContact O-CB 3.32Å; I220-A224 PolarHBondContact O-N 3.45Å |
| 221 | R | 83.2 | Confident | 79.5 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 10% | 0.098 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 177.9 | -64.9 | 177.1 | 73 | -176 | -0.2 | 111.2 | F195 C206 E209 S217 C218 A224 M225 | F195-R221 HydrophobicContact CZ-CB 4Å; F195-R221 HydrophobicContact CZ-CG 4.23Å; C206-R221 PolarHBondContact O-NH2 2.85Å; C206-R221 PolarHBondContact SG-NH1 2.71Å; E209-R221 PolarHBondContact O-NH2 3.41Å; S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 2.66Å; S217-R221 WeakPolarHBondContact OG-CD 3.38Å; C218-R221 PolarHBondContact O-N 3.13Å; R221-A224 PolarHBondContact O-N 3.37Å; R221-M225 VanDerWaalsContact O-CG 3.28Å; R221-M225 WeakPolarHBondContact O-CG 3.25Å; R221-M225 PolarHBondContact O-N 3.5Å |
| 222 | W | 85.7 | Confident | 80.4 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175 | -74.3 | 104 | 0 | 0 | 0 | 112.4 | C213 C218 M225 S226 | C213-W222 PolarHBondContact SG-NE1 2.96Å; C218-W222 PolarHBondContact O-N 2.94Å; C218-W222 PolarHBondContact SG-NE1 3.2Å; C218-W222 VanDerWaalsContact SG-NE1 3.4Å; W222-M225 PolarHBondContact O-N 2.88Å; W222-S226 PolarHBondContact O-N 3.28Å; W222-S226 PolarHBondContact O-OG 3.42Å; W222-S226 VanDerWaalsContact O-OG 3.08Å |
| 223 | A | 85.5 | Confident | 81 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 49% | 0.488 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F219 I220 M225 S226 L227 | F219-A223 VanDerWaalsContact O-CB 3.29Å; F219-A223 WeakPolarHBondContact O-CB 3.28Å; F219-A223 PolarHBondContact O-N 3.36Å; I220-A223 PolarHBondContact O-N 2.97Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 3.29Å; A223-S226 PolarHBondContact O-N 3.26Å; A223-L227 PolarHBondContact O-N 2.88Å |
| 224 | A | 86.7 | Confident | 82.2 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 22% | 0.223 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F195 I220 R221 L227 I228 | F195-A224 HydrophobicContact CE1-CB 4.06Å; I220-A224 WeakPolarHBondContact O-CB 3.32Å; I220-A224 PolarHBondContact O-N 3.45Å; R221-A224 PolarHBondContact O-N 3.37Å; A224-L227 PolarHBondContact O-N 3.49Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.39Å; A224-I228 PolarHBondContact O-N 2.62Å |
| 225 | M | 86.7 | Confident | 83.2 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 174.3 | -71.2 | -57.2 | 93.4 | 0 | 0 | 113.1 | V191 F195 R221 W222 A223 L227 I228 S229 | V191-M225 HydrophobicContact CB-CE 3.85Å; V191-M225 HydrophobicContact CB-SD 3.85Å; V191-M225 HydrophobicContact CG1-CE 3.36Å; V191-M225 HydrophobicContact CG1-SD 3.22Å; V191-M225 WeakPolarHBondContact CG1-SD 3.38Å; V191-M225 HydrophobicContact CG2-CE 3.54Å; V191-M225 HydrophobicContact CG2-SD 3.38Å; V191-M225 WeakPolarHBondContact CG2-SD 3.3Å; F195-M225 HydrophobicContact CE1-CE 3.84Å; F195-M225 HydrophobicContact CE2-CE 3.86Å; F195-M225 HydrophobicContact CE2-SD 4.39Å; F195-M225 HydrophobicContact CZ-CE 3.45Å; F195-M225 VanDerWaalsContact CZ-CE 3.45Å; F195-M225 HydrophobicContact CZ-CG 4.27Å; F195-M225 HydrophobicContact CZ-SD 4.35Å; R221-M225 VanDerWaalsContact O-CG 3.28Å; R221-M225 WeakPolarHBondContact O-CG 3.25Å; R221-M225 PolarHBondContact O-N 3.5Å; W222-M225 PolarHBondContact O-N 2.88Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 3.29Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 2.98Å; M225-I228 HydrophobicContact CE-CD1 3.43Å; M225-I228 VanDerWaalsContact CE-CD1 3.43Å; M225-I228 PolarHBondContact O-N 3.26Å; M225-S229 VanDerWaalsContact O-CB 3.3Å; M225-S229 WeakPolarHBondContact O-CB 3.47Å; M225-S229 PolarHBondContact O-N 3.06Å |
| 226 | S | 87.8 | Confident | 84.7 | Confident | 83 Ų | 83 | 72.2 Ų | 72.2 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | W222 A223 S229 L230 | W222-S226 PolarHBondContact O-N 3.28Å; W222-S226 PolarHBondContact O-OG 3.42Å; W222-S226 VanDerWaalsContact O-OG 3.08Å; A223-S226 PolarHBondContact O-N 3.26Å; S226-S229 PolarHBondContact O-N 3.48Å; S226-L230 PolarHBondContact O-N 3.24Å |
| 227 | L | 90.6 | Very high | 86.2 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 55% | 0.55 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 176.8 | -177.8 | 61.9 | 0 | 0 | 0 | 111.5 | A223 A224 M225 S229 L230 F231 | A223-L227 PolarHBondContact O-N 2.88Å; A224-L227 PolarHBondContact O-N 3.49Å; M225-L227 VanDerWaalsContact C-N 3.31Å; M225-L227 PolarHBondContact O-N 2.98Å; L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 3.34Å; L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 3.26Å; L227-L230 VanDerWaalsContact O-N 3.17Å; L227-F231 HydrophobicContact CD1-CE2 3.9Å; L227-F231 HydrophobicContact CG-CE2 4.11Å; L227-F231 WeakPolarHBondContact O-CD2 3.33Å |
| 228 | I | 88.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.108 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 179.1 | -60.4 | 167.3 | 0 | 0 | 0 | 110.8 | V191 L194 A224 M225 L230 F231 L232 L235 | V191-I228 HydrophobicContact CG2-CD1 4.2Å; V191-I228 HydrophobicContact CG2-CG2 4.31Å; L194-I228 HydrophobicContact CD2-CD1 3.32Å; L194-I228 HydrophobicContact CD2-CG1 4.11Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.39Å; A224-I228 PolarHBondContact O-N 2.62Å; M225-I228 HydrophobicContact CE-CD1 3.43Å; M225-I228 VanDerWaalsContact CE-CD1 3.43Å; M225-I228 PolarHBondContact O-N 3.26Å; I228-L230 PolarHBondContact O-N 3.22Å; I228-L230 VanDerWaalsContact O-N 3.17Å; I228-F231 CarbonylContact O-C 3.57Å; I228-F231 PolarHBondContact O-N 2.88Å; I228-L232 HydrophobicContact CG2-CB 4.45Å; I228-L232 HydrophobicContact CG2-CD1 3.81Å; I228-L232 PolarHBondContact O-N 3.26Å; I228-L235 HydrophobicContact CB-CD1 4.12Å; I228-L235 HydrophobicContact CG2-CD1 3.51Å |
| 229 | S | 90.1 | Very high | 88 | Confident | 28 Ų | 28 | 73.8 Ų | 73.8 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -23.5 | 177 | -170.1 | 0 | 0 | 0 | 0 | 113.6 | M225 S226 L227 L232 C236 | M225-S229 VanDerWaalsContact O-CB 3.3Å; M225-S229 WeakPolarHBondContact O-CB 3.47Å; M225-S229 PolarHBondContact O-N 3.06Å; S226-S229 PolarHBondContact O-N 3.48Å; L227-S229 VanDerWaalsContact C-N 3.28Å; L227-S229 PolarHBondContact O-N 3.34Å; S229-L232 CarbonylContact O-C 3.42Å; S229-C236 PolarHBondContact OG-SG 3.19Å |
| 230 | L | 89.2 | Confident | 88.7 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 72% | 0.723 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.2 | -35.6 | 173.1 | -172.6 | 63.7 | 0 | 0 | 0 | 111.8 | S226 L227 I228 | S226-L230 PolarHBondContact O-N 3.24Å; L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 3.26Å; L227-L230 VanDerWaalsContact O-N 3.17Å; I228-L230 PolarHBondContact O-N 3.22Å; I228-L230 VanDerWaalsContact O-N 3.17Å |
| 231 | F | 90 | Very high | 89.1 | Confident | 150 Ų | 150 | 64.7 Ų | 64.7 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -85.4 | -30.5 | 177.7 | -62.2 | -76.1 | 0 | 0 | 0 | 112.5 | L227 I228 | L227-F231 HydrophobicContact CD1-CE2 3.9Å; L227-F231 HydrophobicContact CG-CE2 4.11Å; L227-F231 WeakPolarHBondContact O-CD2 3.33Å; I228-F231 CarbonylContact O-C 3.57Å; I228-F231 PolarHBondContact O-N 2.88Å |
| 232 | L | 90.2 | Very high | 89.6 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | trans | -125.3 | 82.4 | -178.4 | -73.8 | 95.8 | 0 | 0 | 0 | 109.6 | C187 C190 I228 S229 C234 L235 | C187-L232 HydrophobicContact CB-CB 4.44Å; C187-L232 HydrophobicContact CB-CD2 3.35Å; C187-L232 HydrophobicContact CB-CG 4.49Å; C190-L232 HydrophobicContact CB-CD2 4.24Å; I228-L232 HydrophobicContact CG2-CB 4.45Å; I228-L232 HydrophobicContact CG2-CD1 3.81Å; I228-L232 PolarHBondContact O-N 3.26Å; S229-L232 CarbonylContact O-C 3.42Å; L232-C234 PolarHBondContact O-N 3.5Å; L232-C234 VanDerWaalsContact O-N 3.08Å; L232-L235 HydrophobicContact CB-CD1 3.95Å; L232-L235 HydrophobicContact CB-CG 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.3Å; L232-L235 PolarHBondContact O-N 3.08Å; L232-L235 VanDerWaalsContact O-N 3.1Å | ||
| 233 | P | 89.3 | Confident | 89.9 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -64 | -17.4 | -177.5 | 25.8 | -34.9 | 0 | 0 | 0 | 113.5 | L235 C236 | P233-L235 PolarHBondContact O-N 2.7Å; P233-C236 WeakPolarHBondContact O-CB 3.4Å; P233-C236 PolarHBondContact O-N 3.31Å |
| 234 | C | 91.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -55.2 | -28 | 171.5 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | T186 C187 L232 C236 C237 | T186-C234 CarbonylContact O-C 3.33Å; C187-C234 HydrophobicContact CB-CB 4.33Å; C187-C234 WeakPolarHBondContact CB-SG 3.22Å; C187-C234 WeakPolarHBondContact SG-CB 3.26Å; C187-C234 CovalentContact SG-SG 2.07Å; C187-C234 PolarHBondContact SG-SG 3.17Å; L232-C234 PolarHBondContact O-N 3.5Å; L232-C234 VanDerWaalsContact O-N 3.08Å; C234-C236 VanDerWaalsContact C-N 3.29Å; C234-C236 PolarHBondContact O-N 3.31Å; C234-C237 WeakPolarHBondContact O-CB 3.43Å; C234-C237 PolarHBondContact O-N 3.34Å |
| 235 | L | 89.8 | Confident | 90.7 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -64.8 | -32.6 | 179.7 | -75.4 | 165.2 | 0 | 0 | 0 | 112.5 | T186 L188 V191 I228 L232 P233 C237 Y238 | T186-L235 WeakPolarHBondContact O-CA 2.94Å; T186-L235 WeakPolarHBondContact O-CD2 3.36Å; T186-L235 PolarHBondContact O-N 3.42Å; L188-L235 HydrophobicContact CB-CD2 4.46Å; L188-L235 HydrophobicContact CD1-CD2 4.12Å; V191-L235 HydrophobicContact CG2-CD1 3.82Å; V191-L235 HydrophobicContact CG2-CD2 3.65Å; V191-L235 HydrophobicContact CG2-CG 4.42Å; I228-L235 HydrophobicContact CB-CD1 4.12Å; I228-L235 HydrophobicContact CG2-CD1 3.51Å; L232-L235 HydrophobicContact CB-CD1 3.95Å; L232-L235 HydrophobicContact CB-CG 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.3Å; L232-L235 PolarHBondContact O-N 3.08Å; L232-L235 VanDerWaalsContact O-N 3.1Å; P233-L235 PolarHBondContact O-N 2.7Å; L235-C237 PolarHBondContact O-N 3.47Å; L235-Y238 WeakPolarHBondContact O-CB 3.22Å; L235-Y238 PolarHBondContact O-N 3.38Å |
| 236 | C | 88.6 | Confident | 91 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 54% | 0.541 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -59.6 | -31.4 | 174.1 | -69 | 0 | 0 | 0 | 0 | 111.9 | S229 P233 C234 Y238 P240 | S229-C236 PolarHBondContact OG-SG 3.19Å; P233-C236 WeakPolarHBondContact O-CB 3.4Å; P233-C236 PolarHBondContact O-N 3.31Å; C234-C236 VanDerWaalsContact C-N 3.29Å; C234-C236 PolarHBondContact O-N 3.31Å; C236-Y238 VanDerWaalsContact C-N 3.27Å; C236-Y238 PolarHBondContact O-N 3.24Å; C236-P240 VanDerWaalsContact O-CD 3.23Å; C236-P240 WeakPolarHBondContact O-CD 3.4Å |
| 237 | C | 91.8 | Very high | 91.4 | Very high | 67 Ų | 67 | 71 Ų | 71 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -76.8 | -12.5 | 178 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | C234 L235 P240 T241 | C234-C237 WeakPolarHBondContact O-CB 3.43Å; C234-C237 PolarHBondContact O-N 3.34Å; L235-C237 PolarHBondContact O-N 3.47Å; C237-P240 VanDerWaalsContact O-CD 3.3Å; C237-P240 WeakPolarHBondContact O-CD 3.42Å; C237-P240 VanDerWaalsContact O-CG 3.31Å; C237-P240 WeakPolarHBondContact O-CG 3.48Å; C237-T241 VanDerWaalsContact O-CB 3.28Å; C237-T241 WeakPolarHBondContact O-CB 3.17Å; C237-T241 WeakPolarHBondContact O-CG2 3.13Å; C237-T241 PolarHBondContact O-N 3.15Å; C237-T241 PolarHBondContact O-OG1 2.94Å |
| 238 | Y | 91.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 179 | 176.9 | -109.7 | 0 | 0 | 0 | 112.9 | T186 L188 L235 C236 T241 R242 | T186-Y238 HydrophobicContact CG2-CD2 4.32Å; T186-Y238 WeakPolarHBondContact OG1-CD2 3.41Å; L188-Y238 HydrophobicContact CB-CD2 4.48Å; L188-Y238 HydrophobicContact CD1-CD1 4.4Å; L188-Y238 HydrophobicContact CD1-CE1 4.39Å; L188-Y238 HydrophobicContact CD2-CD2 4.13Å; L188-Y238 HydrophobicContact CD2-CE1 4.12Å; L188-Y238 HydrophobicContact CD2-CE2 3.5Å; L188-Y238 VanDerWaalsContact CD2-CE2 3.5Å; L188-Y238 VanDerWaalsContact CD2-CZ 3.44Å; L188-Y238 WeakPolarHBondContact CD2-OH 3.37Å; L188-Y238 HydrophobicContact CG-CE2 4.47Å; L235-Y238 WeakPolarHBondContact O-CB 3.22Å; L235-Y238 PolarHBondContact O-N 3.38Å; C236-Y238 VanDerWaalsContact C-N 3.27Å; C236-Y238 PolarHBondContact O-N 3.24Å; Y238-T241 WeakPolarHBondContact CA-OG1 3.07Å; Y238-T241 PolarHBondContact O-N 3.4Å; Y238-T241 PolarHBondContact O-OG1 3.45Å; Y238-T241 VanDerWaalsContact O-OG1 3.09Å; Y238-R242 HydrophobicContact CE2-CB 4.42Å; Y238-R242 WeakPolarHBondContact O-CB 3.36Å; Y238-R242 PolarHBondContact O-N 2.66Å; Y238-R242 WeakPolarHBondContact OH-CD 3.3Å; Y238-R242 PolarHBondContact OH-NH1 2.98Å |
| 239 | L | 89.6 | Confident | 91.8 | Very high | 109 Ų | 109 | 70.5 Ų | 70.5 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.7 | -52.4 | -179 | -62.3 | 177.5 | 0 | 0 | 0 | 112.9 | G243 | L239-G243 PolarHBondContact O-N 3.45Å; L239-G243 VanDerWaalsContact O-N 3.07Å |
| 240 | P | 92.8 | Very high | 91.9 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 178.4 | 24.3 | -33 | 0 | 0 | 0 | 112 | C236 C237 G243 C244 | C236-P240 VanDerWaalsContact O-CD 3.23Å; C236-P240 WeakPolarHBondContact O-CD 3.4Å; C237-P240 VanDerWaalsContact O-CD 3.3Å; C237-P240 WeakPolarHBondContact O-CD 3.42Å; C237-P240 VanDerWaalsContact O-CG 3.31Å; C237-P240 WeakPolarHBondContact O-CG 3.48Å; P240-G243 PolarHBondContact O-N 3.01Å; P240-C244 PolarHBondContact O-N 2.9Å; P240-C244 PolarHBondContact O-SG 3.05Å |
| 241 | T | 91.8 | Very high | 92.1 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | L182 C237 Y238 G243 C244 L245 | L182-T241 WeakPolarHBondContact CD2-OG1 3.32Å; C237-T241 VanDerWaalsContact O-CB 3.28Å; C237-T241 WeakPolarHBondContact O-CB 3.17Å; C237-T241 WeakPolarHBondContact O-CG2 3.13Å; C237-T241 PolarHBondContact O-N 3.15Å; C237-T241 PolarHBondContact O-OG1 2.94Å; Y238-T241 WeakPolarHBondContact CA-OG1 3.07Å; Y238-T241 PolarHBondContact O-N 3.4Å; Y238-T241 PolarHBondContact O-OG1 3.45Å; Y238-T241 VanDerWaalsContact O-OG1 3.09Å; T241-G243 VanDerWaalsContact C-N 3.33Å; T241-G243 PolarHBondContact O-N 3.42Å; T241-C244 WeakPolarHBondContact O-CB 3.46Å; T241-C244 PolarHBondContact O-N 2.88Å; T241-L245 PolarHBondContact O-N 3.28Å |
| 242 | R | 92.7 | Very high | 92.3 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 170.8 | -176.9 | 173.1 | -177 | 173.4 | -3.5 | 111.3 | L182 Y238 L245 H246 | L182-R242 HydrophobicContact CD1-CB 4.31Å; Y238-R242 HydrophobicContact CE2-CB 4.42Å; Y238-R242 WeakPolarHBondContact O-CB 3.36Å; Y238-R242 PolarHBondContact O-N 2.66Å; Y238-R242 WeakPolarHBondContact OH-CD 3.3Å; Y238-R242 PolarHBondContact OH-NH1 2.98Å; R242-L245 PolarHBondContact O-N 3.41Å; R242-H246 PolarHBondContact O-CD2 2.07Å; R242-H246 VanDerWaalsContact O-CD2 3.26Å; R242-H246 PolarHBondContact O-N 3.09Å |
| 243 | G | 93.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 65 Ų | 65 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L239 P240 T241 L245 H246 L247 | L239-G243 PolarHBondContact O-N 3.45Å; L239-G243 VanDerWaalsContact O-N 3.07Å; P240-G243 PolarHBondContact O-N 3.01Å; T241-G243 VanDerWaalsContact C-N 3.33Å; T241-G243 PolarHBondContact O-N 3.42Å; G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.96Å; G243-H246 PolarHBondContact O-N 3.28Å; G243-L247 WeakPolarHBondContact O-CG 3.16Å; G243-L247 PolarHBondContact O-N 2.86Å |
| 244 | C | 94.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 49% | 0.493 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | P240 T241 L247 C248 | P240-C244 PolarHBondContact O-N 2.9Å; P240-C244 PolarHBondContact O-SG 3.05Å; T241-C244 WeakPolarHBondContact O-CB 3.46Å; T241-C244 PolarHBondContact O-N 2.88Å; C244-L247 PolarHBondContact O-N 3.23Å; C244-C248 PolarHBondContact O-N 3.28Å; C244-C248 PolarHBondContact O-SG 3.42Å |
| 245 | L | 94 | Very high | 92.4 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 179.1 | -115.2 | 165.8 | 0 | 0 | 0 | 113 | L164 A178 L182 T241 R242 G243 L247 C248 Q249 | L164-L245 HydrophobicContact CD2-CD2 3.48Å; L164-L245 VanDerWaalsContact CD2-CD2 3.48Å; A178-L245 HydrophobicContact CB-CD1 3.77Å; A178-L245 HydrophobicContact CB-CD2 3.47Å; A178-L245 VanDerWaalsContact CB-CD2 3.47Å; A178-L245 HydrophobicContact CB-CG 4.25Å; L182-L245 HydrophobicContact CD1-CB 4.18Å; L182-L245 HydrophobicContact CD1-CD1 3.22Å; L182-L245 HydrophobicContact CD1-CG 4.31Å; L182-L245 HydrophobicContact CD2-CD1 3.82Å; L182-L245 HydrophobicContact CG-CD1 3.3Å; T241-L245 PolarHBondContact O-N 3.28Å; R242-L245 PolarHBondContact O-N 3.41Å; G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.96Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 3.09Å; L245-C248 PolarHBondContact O-N 2.83Å; L245-Q249 VanDerWaalsContact O-CB 3.26Å; L245-Q249 WeakPolarHBondContact O-CB 3.31Å; L245-Q249 PolarHBondContact O-N 3.21Å |
| 246 | H | 93.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 75.6 Ų | 75.6 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 172.2 | -84.4 | -72.9 | 0 | 0 | 0 | 112.1 | R242 G243 Q249 Q250 | R242-H246 PolarHBondContact O-CD2 2.07Å; R242-H246 VanDerWaalsContact O-CD2 3.26Å; R242-H246 PolarHBondContact O-N 3.09Å; G243-H246 PolarHBondContact O-N 3.28Å; H246-Q249 PolarHBondContact O-N 3.46Å; H246-Q250 WeakPolarHBondContact O-CB 3.42Å; H246-Q250 VanDerWaalsContact O-CG 3.28Å; H246-Q250 WeakPolarHBondContact O-CG 3.42Å; H246-Q250 PolarHBondContact O-N 3.09Å |
| 247 | L | 94.8 | Very high | 92.5 | Very high | 118 Ų | 118 | 73.4 Ų | 73.4 | 62% | 0.618 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 175.2 | -66.5 | 174.5 | 0 | 0 | 0 | 111.8 | G243 C244 L245 Q249 Q250 G251 | G243-L247 WeakPolarHBondContact O-CG 3.16Å; G243-L247 PolarHBondContact O-N 2.86Å; C244-L247 PolarHBondContact O-N 3.23Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 3.09Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 2.98Å; L247-Q250 PolarHBondContact O-N 2.62Å; L247-G251 PolarHBondContact O-N 3.43Å |
| 248 | C | 93.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 73.4 Ų | 73.4 | 52% | 0.52 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 174.2 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | C244 L245 G251 Y252 | C244-C248 PolarHBondContact O-N 3.28Å; C244-C248 PolarHBondContact O-SG 3.42Å; L245-C248 PolarHBondContact O-N 2.83Å; C248-G251 PolarHBondContact O-N 3.07Å; C248-Y252 WeakPolarHBondContact O-CB 3.38Å; C248-Y252 PolarHBondContact O-N 3.07Å |
| 249 | Q | 94.1 | Very high | 92.2 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.8 | 178.2 | 57.7 | 85.1 | 0 | 0 | 112.1 | R162 L164 L245 H246 L247 Y252 D253 | R162-Q249 PolarHBondContact O-NE2 2.81Å; L164-Q249 HydrophobicContact CD1-CB 3.59Å; L164-Q249 HydrophobicContact CD1-CG 4.02Å; L245-Q249 VanDerWaalsContact O-CB 3.26Å; L245-Q249 WeakPolarHBondContact O-CB 3.31Å; L245-Q249 PolarHBondContact O-N 3.21Å; H246-Q249 PolarHBondContact O-N 3.46Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 2.98Å; Q249-Y252 PolarHBondContact O-N 3.06Å; Q249-D253 WeakPolarHBondContact O-CB 3.28Å; Q249-D253 PolarHBondContact O-N 3.38Å |
| 250 | Q | 92.7 | Very high | 92.3 | Very high | 120 Ų | 120 | 67.3 Ų | 67.3 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 174.8 | -73.4 | 176.7 | -7.7 | 0 | 0 | 112 | H246 L247 S254 | H246-Q250 WeakPolarHBondContact O-CB 3.42Å; H246-Q250 VanDerWaalsContact O-CG 3.28Å; H246-Q250 WeakPolarHBondContact O-CG 3.42Å; H246-Q250 PolarHBondContact O-N 3.09Å; L247-Q250 PolarHBondContact O-N 2.62Å; Q250-S254 WeakPolarHBondContact O-CB 3.46Å; Q250-S254 PolarHBondContact O-N 2.86Å; Q250-S254 PolarHBondContact O-OG 2.86Å |
| 251 | G | 93.3 | Very high | 92 | Very high | 31 Ų | 31 | 69.8 Ų | 69.8 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L247 C248 S254 L255 | L247-G251 PolarHBondContact O-N 3.43Å; C248-G251 PolarHBondContact O-N 3.07Å; G251-S254 WeakPolarHBondContact O-CB 3.23Å; G251-S254 PolarHBondContact O-N 3.49Å; G251-L255 WeakPolarHBondContact O-CG 3.31Å; G251-L255 PolarHBondContact O-N 2.78Å |
| 252 | Y | 94.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 29% | 0.29 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 177.1 | -177.9 | -96.8 | 0 | 0 | 0 | 111.6 | R162 P163 C248 Q249 S254 L255 R256 | R162-Y252 HydrophobicContact CB-CD1 4.45Å; R162-Y252 HydrophobicContact CB-CE1 4.18Å; P163-Y252 VanDerWaalsContact O-CE1 3.3Å; P163-Y252 WeakPolarHBondContact O-CE1 3.2Å; C248-Y252 WeakPolarHBondContact O-CB 3.38Å; C248-Y252 PolarHBondContact O-N 3.07Å; Q249-Y252 PolarHBondContact O-N 3.06Å; Y252-S254 VanDerWaalsContact C-N 3.28Å; Y252-S254 PolarHBondContact O-N 3.21Å; Y252-L255 PolarHBondContact O-N 3.28Å; Y252-R256 HydrophobicContact CD1-CG 4.45Å; Y252-R256 HydrophobicContact CD2-CG 3.98Å; Y252-R256 HydrophobicContact CE1-CB 4.32Å; Y252-R256 HydrophobicContact CE1-CG 4.13Å; Y252-R256 HydrophobicContact CE2-CG 3.63Å; Y252-R256 HydrophobicContact CG-CG 4.38Å; Y252-R256 WeakPolarHBondContact O-CB 3.46Å; Y252-R256 PolarHBondContact O-N 2.97Å |
| 253 | D | 93.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 73.9 Ų | 73.9 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 174.1 | -179.7 | 63.1 | 0 | 0 | 0 | 110.6 | V161 R162 Q249 L255 R256 R257 | V161-D253 WeakPolarHBondContact CA-OD1 3.4Å; V161-D253 HydrophobicContact CG1-CB 4.4Å; R162-D253 PolarHBondContact N-OD1 3.1Å; Q249-D253 WeakPolarHBondContact O-CB 3.28Å; Q249-D253 PolarHBondContact O-N 3.38Å; D253-L255 VanDerWaalsContact C-N 3.27Å; D253-L255 PolarHBondContact O-N 3.44Å; D253-R256 PolarHBondContact O-N 3.25Å; D253-R257 WeakPolarHBondContact O-CB 3.39Å; D253-R257 PolarHBondContact O-N 3.17Å; D253-R257 IonicContact OD1-CZ 3.82Å; D253-R257 IonicContact OD1-NE 3.22Å; D253-R257 PolarHBondContact OD1-NE 3.1Å; D253-R257 VanDerWaalsContact OD1-NE 3.1Å; D253-R257 IonicContact OD1-NH2 3.78Å; D253-R257 IonicContact OD2-CZ 3.35Å; D253-R257 IonicContact OD2-NE 3.77Å; D253-R257 PolarHBondContact OD2-NE 3.21Å; D253-R257 IonicContact OD2-NH2 3.87Å |
| 254 | S | 90.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -35.8 | 179.5 | -68.9 | 0 | 0 | 0 | 0 | 114 | Q250 G251 Y252 R261 | Q250-S254 WeakPolarHBondContact O-CB 3.46Å; Q250-S254 PolarHBondContact O-N 2.86Å; Q250-S254 PolarHBondContact O-OG 2.86Å; G251-S254 WeakPolarHBondContact O-CB 3.23Å; G251-S254 PolarHBondContact O-N 3.49Å; Y252-S254 VanDerWaalsContact C-N 3.28Å; Y252-S254 PolarHBondContact O-N 3.21Å; S254-R261 VanDerWaalsContact CA-NH1 3.3Å; S254-R261 VanDerWaalsContact CB-NH1 3.25Å; S254-R261 PolarHBondContact O-NH1 3.26Å; S254-R261 PolarHBondContact OG-NH1 3.38Å; S254-R261 PolarHBondContact OG-NH2 3.35Å |
| 255 | L | 90.6 | Very high | 88.4 | Confident | 153 Ų | 153 | 83 Ų | 83 | 80% | 0.801 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -88 | -38 | -177.8 | -67.8 | 172.7 | 0 | 0 | 0 | 112.9 | G251 Y252 D253 | G251-L255 WeakPolarHBondContact O-CG 3.31Å; G251-L255 PolarHBondContact O-N 2.78Å; Y252-L255 PolarHBondContact O-N 3.28Å; D253-L255 VanDerWaalsContact C-N 3.27Å; D253-L255 PolarHBondContact O-N 3.44Å |
| 256 | R | 89.8 | Confident | 86.8 | Confident | 172 Ų | 172 | 87.1 Ų | 87.1 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -93.7 | -17.2 | -172.5 | -68.2 | -71 | -171.3 | 160.6 | 0.2 | 113.9 | Y252 D253 P258 | Y252-R256 HydrophobicContact CD1-CG 4.45Å; Y252-R256 HydrophobicContact CD2-CG 3.98Å; Y252-R256 HydrophobicContact CE1-CB 4.32Å; Y252-R256 HydrophobicContact CE1-CG 4.13Å; Y252-R256 HydrophobicContact CE2-CG 3.63Å; Y252-R256 HydrophobicContact CG-CG 4.38Å; Y252-R256 WeakPolarHBondContact O-CB 3.46Å; Y252-R256 PolarHBondContact O-N 2.97Å; D253-R256 PolarHBondContact O-N 3.25Å; R256-P258 VanDerWaalsContact O-CD 3.32Å; R256-P258 WeakPolarHBondContact O-CD 3.4Å |
| 257 | R | 90.8 | Very high | 85 | Confident | 35 Ų | 35 | 89.1 Ų | 89.1 | 13% | 0.132 | 44% | 0.438 | C | S | . | . | trans | -73.2 | 120 | 180 | -178.8 | -169.8 | -89 | -118.8 | -4 | 110.8 | C158 T159 A160 D253 | C158-R257 WeakPolarHBondContact O-CG 3.4Å; T159-R257 PolarHBondContact O-NH1 3.3Å; T159-R257 PolarHBondContact O-NH2 3.08Å; A160-R257 PolarHBondContact O-NE 3.17Å; A160-R257 PolarHBondContact O-NH2 3.22Å; D253-R257 WeakPolarHBondContact O-CB 3.39Å; D253-R257 PolarHBondContact O-N 3.17Å; D253-R257 IonicContact OD1-CZ 3.82Å; D253-R257 IonicContact OD1-NE 3.22Å; D253-R257 PolarHBondContact OD1-NE 3.1Å; D253-R257 VanDerWaalsContact OD1-NE 3.1Å; D253-R257 IonicContact OD1-NH2 3.78Å; D253-R257 IonicContact OD2-CZ 3.35Å; D253-R257 IonicContact OD2-NE 3.77Å; D253-R257 PolarHBondContact OD2-NE 3.21Å; D253-R257 IonicContact OD2-NH2 3.87Å | ||
| 258 | P | 88 | Confident | 83.6 | Confident | 67 Ų | 67 | 84.5 Ų | 84.5 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | trans | -81 | -21.4 | -178.2 | 31.5 | -34.2 | 0 | 0 | 0 | 113.5 | C158 R256 | C158-P258 HydrophobicContact CB-CG 4.24Å; R256-P258 VanDerWaalsContact O-CD 3.32Å; R256-P258 WeakPolarHBondContact O-CD 3.4Å | ||
| 259 | G | 89.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -77.4 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R152 C153 C158 | R152-G259 VanDerWaalsContact CD-O 3.29Å; R152-G259 WeakPolarHBondContact CD-O 3.43Å; C153-G259 CarbonylContact O-C 3.53Å; C153-G259 WeakPolarHBondContact O-CA 3.48Å; C158-G259 WeakPolarHBondContact O-CA 3.31Å; C158-G259 PolarHBondContact O-N 2.99Å |
| 260 | C | 89.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.007 | 43% | 0.425 | C | S | . | . | trans | -67 | 142.9 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | C147 C150 R152 C153 K154 | C147-C260 HydrophobicContact CB-CB 4Å; C150-C260 PolarHBondContact SG-SG 3.22Å; R152-C260 HydrophobicContact CB-CB 4.13Å; C153-C260 PolarHBondContact O-N 3.48Å; K154-C260 HydrophobicContact CG-CB 3.8Å | ||
| 261 | R | 86.9 | Confident | 80.6 | Confident | 127 Ų | 127 | 88.1 Ų | 88.1 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | trans | -128.4 | 13.6 | -179.7 | -57.1 | 178.6 | 68.9 | -172.2 | 2.8 | 113.6 | S254 K263 | S254-R261 VanDerWaalsContact CA-NH1 3.3Å; S254-R261 VanDerWaalsContact CB-NH1 3.25Å; S254-R261 PolarHBondContact O-NH1 3.26Å; S254-R261 PolarHBondContact OG-NH1 3.38Å; S254-R261 PolarHBondContact OG-NH2 3.35Å; R261-K263 PolarHBondContact O-N 3.2Å | ||
| 262 | C | 86.9 | Confident | 79.8 | Confident | 24 Ų | 24 | 94 Ų | 94 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | trans | -67.8 | 116.9 | -175.4 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | E149 C150 R264 H265 | E149-C262 WeakPolarHBondContact OE2-CB 3.42Å; E149-C262 PolarHBondContact OE2-SG 3.32Å; E149-C262 VanDerWaalsContact OE2-SG 3.42Å; C150-C262 VanDerWaalsContact SG-SG 3.62Å; C262-R264 CarbonylContact O-C 3.57Å; C262-R264 PolarHBondContact O-N 3.34Å; C262-H265 PolarHBondContact O-CD2 3.32Å; C262-H265 VanDerWaalsContact O-CG 3.29Å; C262-H265 PolarHBondContact O-N 2.88Å; C262-H265 PolarHBondContact O-NE2 2.97Å | ||
| 263 | K | 78.8 | Confident | 78.8 | Confident | 211 Ų | 211 | 93.7 Ų | 93.7 | 92% | 0.917 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -51.4 | -24.3 | 179.8 | -79.3 | -179 | 176 | 179.9 | 0 | 114.7 | R261 H265 | R261-K263 PolarHBondContact O-N 3.2Å; K263-H265 VanDerWaalsContact C-N 3.26Å; K263-H265 PolarHBondContact O-N 3.04Å; K263-H265 VanDerWaalsContact O-N 3.09Å |
| 264 | R | 69.2 | Low | 77.4 | Confident | 191 Ų | 191 | 97.3 Ų | 97.3 | 72% | 0.721 | 48% | 0.477 | S | S | * | . | trans | -82.6 | 63.7 | 171.7 | -77.1 | -177.7 | -180 | 164.4 | -0.7 | 112 | C262 T266 T268 | C262-R264 CarbonylContact O-C 3.57Å; C262-R264 PolarHBondContact O-N 3.34Å; R264-T266 PolarHBondContact O-N 3.05Å; R264-T268 PolarHBondContact O-OG1 3.4Å | ||
| 265 | H | 63 | Low | 75.8 | Confident | 106 Ų | 106 | 99.9 Ų | 99.9 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5.5 | -177.4 | -81.7 | -78 | 0 | 0 | 0 | 114.9 | C262 K263 | C262-H265 PolarHBondContact O-CD2 3.32Å; C262-H265 VanDerWaalsContact O-CG 3.29Å; C262-H265 PolarHBondContact O-N 2.88Å; C262-H265 PolarHBondContact O-NE2 2.97Å; K263-H265 VanDerWaalsContact C-N 3.26Å; K263-H265 PolarHBondContact O-N 3.04Å; K263-H265 VanDerWaalsContact O-N 3.09Å |
| 266 | T | 60.4 | Low | 73.9 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 74% | 0.736 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -16.4 | -168.9 | 55.8 | 0 | 0 | 0 | 0 | 116 | R264 | R264-T266 PolarHBondContact O-N 3.05Š|
| 267 | N | 54.5 | Low | 71.9 | Confident | 147 Ų | 147 | 95.1 Ų | 95.1 | 79% | 0.786 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 10.4 | -174.3 | -72.6 | -54.3 | 0 | 0 | 0 | 115.3 | V269 | N267-V269 PolarHBondContact O-N 3.5Å; N267-V269 VanDerWaalsContact O-N 3.17Å |
| 268 | T | 64.9 | Low | 69.6 | Low | 20 Ų | 20 | 97.1 Ų | 97.1 | 12% | 0.123 | 52% | 0.523 | C | S | . | . | trans | -77.3 | 107.4 | 174.9 | 36.9 | 0 | 0 | 0 | 0 | 109 | E149 K154 R264 C270 | E149-T268 HydrophobicContact CG-CG2 3.7Å; E149-T268 VanDerWaalsContact OE1-CG2 3.23Å; E149-T268 WeakPolarHBondContact OE1-CG2 3.25Å; K154-T268 PolarHBondContact NZ-O 3.2Å; K154-T268 PolarHBondContact NZ-OG1 2.74Å; R264-T268 PolarHBondContact O-OG1 3.4Å; T268-C270 PolarHBondContact O-N 3.26Å; T268-C270 PolarHBondContact O-SG 2.95Å | ||
| 269 | V | 68.8 | Low | 67.6 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | trans | -44.4 | 123.5 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | E148 N267 | E148-V269 WeakPolarHBondContact CG-O 3.22Å; N267-V269 PolarHBondContact O-N 3.5Å; N267-V269 VanDerWaalsContact O-N 3.17Å | ||
| 270 | C | 74.1 | Confident | 65.6 | Low | 46 Ų | 46 | 108.4 Ų | 108.4 | 31% | 0.311 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.1 | 178.7 | -61.2 | 0 | 0 | 0 | 0 | 107.5 | F145 I146 K154 T268 K272 | F145-C270 HydrophobicContact CD1-CB 4.25Å; I146-C270 WeakPolarHBondContact O-CA 3.33Å; K154-C270 VanDerWaalsContact CD-SG 3.53Å; K154-C270 PolarHBondContact NZ-SG 2.94Å; T268-C270 PolarHBondContact O-N 3.26Å; T268-C270 PolarHBondContact O-SG 2.95Å; C270-K272 PolarHBondContact O-N 3.31Å |
| 271 | R | 74.7 | Confident | 63.4 | Low | 165 Ų | 165 | 114.4 Ų | 114.4 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.2 | 118.2 | 166.1 | -73.2 | -177.5 | -173.8 | 162.1 | 3.7 | 107.6 | I146 E148 V273 | I146-R271 PolarHBondContact N-O 3.4Å; I146-R271 PolarHBondContact O-N 3.28Å; E148-R271 HydrophobicContact CG-CG 3.79Å; E148-R271 VanDerWaalsContact OE1-CG 3.23Å; E148-R271 WeakPolarHBondContact OE1-CG 3.3Å; E148-R271 IonicContact OE1-CZ 3.44Å; E148-R271 IonicContact OE1-NE 2.74Å; E148-R271 PolarHBondContact OE1-NE 2.95Å; E148-R271 IonicContact OE1-NH2 3.52Å; E148-R271 PolarHBondContact OE1-NH2 3.3Å; R271-V273 PolarHBondContact O-N 3.08Å |
| 272 | K | 78.1 | Confident | 61 | Low | 155 Ų | 155 | 117.9 Ų | 117.9 | 67% | 0.674 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 103.5 | 166 | -173.2 | 175.3 | 179.9 | -178.1 | 0 | 107.1 | L144 C270 S274 | L144-K272 VanDerWaalsContact O-CA 3.32Å; L144-K272 WeakPolarHBondContact O-CA 3.29Å; C270-K272 PolarHBondContact O-N 3.31Å; K272-S274 PolarHBondContact O-N 2.83Å |
| 273 | V | 72.6 | Confident | 58.7 | Low | 66 Ų | 66 | 121.5 Ų | 121.5 | 40% | 0.4 | 67% | 0.67 | S | S | . | * | trans | -74.8 | 118.4 | 171.3 | -69.1 | 0 | 0 | 0 | 0 | 107.5 | L144 R271 | L144-V273 HydrophobicContact CD2-CG2 4.4Å; L144-V273 WeakPolarHBondContact CD2-O 3.26Å; L144-V273 PolarHBondContact O-N 2.9Å; R271-V273 PolarHBondContact O-N 3.08Å | ||
| 274 | S | 63.7 | Low | 56.9 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | trans | -78.3 | 137.3 | 170.7 | -126.4 | 0 | 0 | 0 | 0 | 107.7 | K272 G276 | K272-S274 PolarHBondContact O-N 2.83Å; S274-G276 PolarHBondContact O-N 3.17Å | ||
| 275 | S | 56.6 | Low | 55.4 | Low | 94 Ų | 94 | 120.4 Ų | 120.4 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 19.7 | -175.2 | -46.1 | 0 | 0 | 0 | 0 | 115.2 | D142 | D142-S275 PolarHBondContact OD2-OG 3.49Š|
| 276 | G | 51.6 | Low | 54.2 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -7.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S274 | S274-G276 PolarHBondContact O-N 3.17Š|
| 277 | D | 46.9 | Very low | 53 | Low | 157 Ų | 157 | 123.7 Ų | 123.7 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | trans | -150.5 | 97.3 | 177.6 | -104.3 | -33.5 | 0 | 0 | 0 | 110.2 | ||||
| 278 | A | 43.3 | Very low | 52.3 | Low | 76 Ų | 76 | 126 Ų | 126 | 63% | 0.628 | 71% | 0.711 | S | S | * | * | trans | -136.1 | 70.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F280 | A278-F280 PolarHBondContact O-N 3.4Š| ||
| 279 | S | 45.9 | Very low | 51.6 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | -76.6 | 103.4 | 153.2 | -157.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 280 | F | 48 | Very low | 50.7 | Low | 182 Ų | 182 | 132.9 Ų | 132.9 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -55.5 | 128.4 | 175.4 | -71.1 | -93 | 0 | 0 | 0 | 110.1 | A278 K282 | A278-F280 PolarHBondContact O-N 3.4Å; F280-K282 PolarHBondContact O-N 3.43Å; F280-K282 VanDerWaalsContact O-N 3.11Å | ||
| 281 | P | 42.9 | Very low | 49.4 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 112 | 167.8 | 10.3 | -1.7 | 0 | 0 | 0 | 108.2 | A283 | P281-A283 PolarHBondContact O-N 2.88Š| ||
| 282 | K | 36.2 | Very low | 47.9 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -53 | 127.8 | 165.3 | -90.3 | -173.3 | 173.3 | 176.7 | 0 | 108.3 | F280 Q284 | F280-K282 PolarHBondContact O-N 3.43Å; F280-K282 VanDerWaalsContact O-N 3.11Å; K282-Q284 PolarHBondContact O-N 3.46Å; K282-Q284 VanDerWaalsContact O-N 3.17Å | ||
| 283 | A | 38.5 | Very low | 46 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -54 | 120.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P281 E285 | P281-A283 PolarHBondContact O-N 2.88Å; A283-E285 PolarHBondContact O-N 3.39Å; A283-E285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | Q | 40.1 | Very low | 44.3 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -63 | 114.1 | 172.1 | -111.4 | -170.3 | -7.1 | 0 | 0 | 108.6 | K282 K286 | K282-Q284 PolarHBondContact O-N 3.46Å; K282-Q284 VanDerWaalsContact O-N 3.17Å; Q284-K286 PolarHBondContact O-N 3.15Å | ||
| 285 | E | 39.2 | Very low | 42.9 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -63.4 | 111.6 | 163.3 | -169 | 176.1 | 118.9 | 0 | 0 | 107.9 | A283 S287 | A283-E285 PolarHBondContact O-N 3.39Å; A283-E285 VanDerWaalsContact O-N 3.14Å; E285-S287 PolarHBondContact O-N 3.42Å | ||
| 286 | K | 37.2 | Very low | 41.8 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -89.8 | 95.6 | 173.5 | -166.6 | 176.5 | -175.1 | -174.6 | 0 | 108.3 | Q284 | Q284-K286 PolarHBondContact O-N 3.15Š| ||
| 287 | S | 35.1 | Very low | 41 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | trans | -77 | 119.5 | 161.7 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | E285 | E285-S287 PolarHBondContact O-N 3.42Š| ||
| 288 | V | 39.1 | Very low | 40.5 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 100% | 1.194 | 85% | 0.847 | S | S | * | * | trans | -144.7 | 0 | 147 | 175.6 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 288 of 288 residues in 60 ms
(Link to these results)