Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N LEU 14.A O no hydrogen 3.328 N/A ILE 4.A N VAL 12.A O no hydrogen 2.863 N/A ILE 6.A N GLY 10.A O no hydrogen 3.020 N/A LYS 9.A N TYR 154.A OH no hydrogen 3.337 N/A LYS 9.A NZ ASP 8.A OD2 no hydrogen 3.093 N/A LYS 9.A NZ PHE 97.A O no hydrogen 2.659 N/A GLY 10.A N ILE 6.A O no hydrogen 2.858 N/A PHE 11.A N LYS 66.A O no hydrogen 3.110 N/A VAL 12.A N ILE 4.A O no hydrogen 2.932 N/A GLU 13.A N HIS 64.A O no hydrogen 2.861 N/A LEU 14.A N MET 2.A O no hydrogen 2.857 N/A VAL 15.A N THR 62.A O no hydrogen 2.751 N/A ASP 16.A N THR 62.A O no hydrogen 3.212 N/A VAL 17.A N ASP 16.A OD1 no hydrogen 2.913 N/A MET 18.A N VAL 60.A O no hydrogen 2.801 N/A ASN 20.A N SER 23.A OG no hydrogen 3.035 N/A SER 23.A N ASN 20.A O no hydrogen 2.908 N/A SER 23.A N ASN 20.A OD1 no hydrogen 3.224 N/A ALA 24.A N ASP 21.A O no hydrogen 3.180 N/A VAL 25.A N ASP 21.A O no hydrogen 3.357 N/A ARG 26.A N.A LEU 22.A O no hydrogen 2.877 N/A ARG 26.A N.B LEU 22.A O no hydrogen 2.810 N/A ALA 27.A N.A ALA 24.A O no hydrogen 3.110 N/A ALA 27.A N.B SER 23.A O no hydrogen 2.947 N/A ALA 28.A N.A ALA 24.A O no hydrogen 2.961 N/A ALA 28.A N.B ALA 24.A O no hydrogen 3.021 N/A ARG 29.A N.A VAL 25.A O no hydrogen 3.143 N/A ARG 29.A N.B VAL 25.A O no hydrogen 2.925 N/A ARG 29.A NH1.A ASP 40.A OD1 no hydrogen 3.560 N/A ARG 29.A NH1.B ASP 40.A OD1 no hydrogen 3.017 N/A ARG 29.A NH2.A ARG 39.A O no hydrogen 3.413 N/A ARG 29.A NH2.B ASP 40.A OD1 no hydrogen 2.675 N/A VAL 30.A N.B ALA 27.A O.B no hydrogen 3.054 N/A SER 31.A N.A ALA 28.A O.A no hydrogen 3.329 N/A SER 31.A N.A ALA 28.A O.B no hydrogen 2.774 N/A SER 31.A N.B ARG 26.A O.A no hydrogen 2.986 N/A SER 31.A N.B ARG 26.A O.B no hydrogen 3.265 N/A SER 31.A OG.A ALA 28.A O.A no hydrogen 3.478 N/A SER 31.A OG.B MET 34.A O.A no hydrogen 3.444 N/A PHE 32.A N.A ARG 29.A O.A no hydrogen 2.919 N/A ASP 33.A N.A VAL 30.A O.A no hydrogen 2.947 N/A MET 34.A N.A ARG 29.A O.A no hydrogen 3.039 N/A ARG 39.A N ASP 36.A OD1 no hydrogen 2.899 N/A ARG 39.A NH2 ASP 36.A OD2 no hydrogen 3.391 N/A ASP 40.A N ASP 36.A O no hydrogen 2.775 N/A ARG 41.A N GLU 37.A O no hydrogen 3.029 N/A HIS 42.A N GLU 38.A O no hydrogen 3.066 N/A LEU 43.A N.A ARG 39.A O no hydrogen 3.004 N/A LEU 43.A N.B ARG 39.A O no hydrogen 2.991 N/A ILE 44.A N ASP 40.A O no hydrogen 3.110 N/A GLU 45.A N ARG 41.A O no hydrogen 3.073 N/A TYR 46.A N HIS 42.A O no hydrogen 2.854 N/A LEU 47.A N LEU 43.A O.A no hydrogen 2.840 N/A LEU 47.A N LEU 43.A O.B no hydrogen 2.870 N/A MET 48.A N ILE 44.A O no hydrogen 3.071 N/A LYS 49.A N GLU 45.A O no hydrogen 2.833 N/A HIS 50.A N TYR 46.A O no hydrogen 3.079 N/A HIS 50.A ND1 TYR 46.A O no hydrogen 2.951 N/A GLY 51.A N MET 48.A O no hydrogen 3.280 N/A HIS 52.A N LEU 47.A O no hydrogen 2.824 N/A PHE 56.A N GLU 53.A O no hydrogen 3.074 N/A GLU 57.A N THR 54.A O no hydrogen 2.961 N/A HIS 58.A N PRO 55.A O no hydrogen 3.382 N/A ILE 59.A N PHE 56.A O no hydrogen 3.308 N/A VAL 60.A N MET 18.A O no hydrogen 3.031 N/A PHE 61.A N VAL 161.A O no hydrogen 2.908 N/A THR 62.A N ASP 16.A O no hydrogen 2.872 N/A THR 62.A OG1 THR 160.A OG1 no hydrogen 2.707 N/A PHE 63.A N TRP 159.A O no hydrogen 2.801 N/A HIS 64.A N GLU 13.A O no hydrogen 2.821 N/A VAL 65.A N PHE 157.A O no hydrogen 2.899 N/A LYS 66.A N PHE 11.A O no hydrogen 2.961 N/A LYS 66.A NZ LYS 9.A O no hydrogen 2.901 N/A LYS 66.A NZ GLU 96.A OE1 no hydrogen 2.744 N/A LYS 66.A NZ GLU 96.A OE2 no hydrogen 3.212 N/A ALA 67.A N THR 155.A O no hydrogen 2.999 N/A ILE 69.A N LEU 153.A O no hydrogen 2.868 N/A PHE 70.A N LEU 151.A O no hydrogen 3.016 N/A VAL 71.A N PRO 68.A O no hydrogen 2.968 N/A ALA 72.A N PRO 68.A O no hydrogen 2.988 N/A ARG 73.A N ILE 69.A O no hydrogen 2.827 N/A GLN 74.A NE2 GLN 179.A OE1 no hydrogen 3.229 N/A TRP 75.A N VAL 71.A O no hydrogen 2.935 N/A PHE 76.A N ALA 72.A O no hydrogen 2.841 N/A ARG 77.A N GLN 74.A O no hydrogen 3.163 N/A HIS 78.A N TRP 75.A O no hydrogen 3.110 N/A SER 82.A N THR 160.A O no hydrogen 2.860 N/A TYR 83.A OH HIS 78.A O no hydrogen 2.637 N/A ASN 84.A N PHE 158.A O no hydrogen 3.090 N/A LEU 86.A N.A ARG 156.A O no hydrogen 3.062 N/A LEU 86.A N.B ARG 156.A O no hydrogen 3.055 N/A ARG 89.A N SER 87.A OG no hydrogen 3.008 N/A ARG 89.A NE GLU 143.A OE1 no hydrogen 2.860 N/A ARG 89.A NH2 GLU 143.A OE1 no hydrogen 2.905 N/A TYR 90.A N SER 87.A OG no hydrogen 3.171 N/A SER 91.A N SER 87.A O no hydrogen 3.012 N/A LEU 93.A N TYR 132.A OH no hydrogen 2.920 N/A TYR 95.A OH ASP 126.A OD1 no hydrogen 2.587 N/A TYR 98.A N ASN 152.A O no hydrogen 2.923 N/A TYR 98.A OH GLU 181.A OE2 no hydrogen 2.599 N/A ILE 99.A N ASP 8.A OD2 no hydrogen 3.006 N/A SER 101.A OG GLU 103.A OE1 no hydrogen 3.251 N/A ARG 104.A N SER 101.A O no hydrogen 2.968 N/A ARG 104.A NE GLU 181.A OE2 no hydrogen 2.705 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 3.211 N/A ARG 104.A NH2 GLU 181.A OE1 no hydrogen 2.947 N/A ARG 104.A NH2 GLU 181.A OE2 no hydrogen 3.539 N/A LEU 105.A N PRO 102.A O no hydrogen 3.278 N/A GLU 106.A N GLU 103.A O no hydrogen 3.089 N/A TYR 108.A N LEU 105.A O no hydrogen 3.068 N/A THR 110.A OG1 ILE 112.A O no hydrogen 2.770 N/A ARG 116.A NH1 GLU 119.A OE1 no hydrogen 3.056 N/A ARG 116.A NH1 GLU 123.A OE2 no hydrogen 3.418 N/A VAL 117.A N PRO 113.A O no hydrogen 3.126 N/A THR 118.A N PRO 114.A O no hydrogen 3.209 N/A THR 118.A OG1 PRO 100.A O no hydrogen 3.160 N/A THR 118.A OG1 PRO 114.A O no hydrogen 3.500 N/A GLU 119.A N GLU 115.A O no hydrogen 3.159 N/A LYS 120.A N ARG 116.A O no hydrogen 2.956 N/A ILE 121.A N VAL 117.A O no hydrogen 3.026 N/A SER 122.A N THR 118.A O no hydrogen 3.029 N/A SER 122.A OG THR 118.A O no hydrogen 3.237 N/A GLU 123.A N GLU 119.A O no hydrogen 2.809 N/A ILE 124.A N LYS 120.A O no hydrogen 3.176 N/A VAL 125.A N.A ILE 121.A O no hydrogen 3.135 N/A VAL 125.A N.B ILE 121.A O no hydrogen 3.072 N/A ASP 126.A N SER 122.A O no hydrogen 3.042 N/A LYS 127.A N GLU 123.A O no hydrogen 3.087 N/A ALA 128.A N ILE 124.A O no hydrogen 2.939 N/A TYR 129.A N VAL 125.A O.A no hydrogen 2.927 N/A TYR 129.A N VAL 125.A O.B no hydrogen 2.980 N/A TYR 129.A OH LEU 93.A O no hydrogen 2.662 N/A ARG 130.A N ASP 126.A O no hydrogen 2.938 N/A ARG 130.A NH1 ASP 126.A OD2 no hydrogen 2.578 N/A THR 131.A N LYS 127.A O no hydrogen 2.950 N/A THR 131.A OG1 LYS 127.A O no hydrogen 3.228 N/A TYR 132.A N ALA 128.A O no hydrogen 2.906 N/A LEU 133.A N TYR 129.A O no hydrogen 2.850 N/A GLU 134.A N ARG 130.A O no hydrogen 2.935 N/A LEU 135.A N THR 131.A O no hydrogen 2.918 N/A ILE 136.A N TYR 132.A O no hydrogen 2.922 N/A GLU 137.A N LEU 133.A O no hydrogen 2.866 N/A SER 138.A N.A GLU 134.A O no hydrogen 3.076 N/A SER 138.A N.A LEU 135.A O no hydrogen 3.121 N/A SER 138.A N.B GLU 134.A O no hydrogen 3.060 N/A SER 138.A N.B LEU 135.A O no hydrogen 3.095 N/A SER 138.A OG.A LEU 135.A O no hydrogen 2.829 N/A SER 138.A OG.B GLU 134.A O no hydrogen 2.740 N/A GLY 139.A N ILE 136.A O no hydrogen 3.040 N/A VAL 140.A N LEU 135.A O no hydrogen 3.094 N/A VAL 144.A N PRO 141.A O no hydrogen 2.986 N/A ALA 145.A N PRO 141.A O no hydrogen 2.936 N/A ARG 146.A N ARG 142.A O no hydrogen 3.067 N/A ARG 146.A NE GLU 143.A O no hydrogen 2.918 N/A ILE 147.A N VAL 144.A O no hydrogen 3.094 N/A VAL 148.A N ALA 145.A O no hydrogen 3.531 N/A LEU 149.A N ARG 146.A O no hydrogen 3.061 N/A ASN 152.A ND2 TYR 98.A O no hydrogen 2.909 N/A LEU 153.A N PRO 150.A O no hydrogen 3.062 N/A TYR 154.A N GLU 96.A O no hydrogen 2.904 N/A TYR 154.A OH ASP 8.A OD1 no hydrogen 2.627 N/A THR 155.A N ALA 67.A O no hydrogen 2.838 N/A THR 155.A OG1 GLU 85.A OE2 no hydrogen 2.641 N/A ARG 156.A NH1 HIS 64.A NE2 no hydrogen 2.985 N/A PHE 157.A N VAL 65.A O no hydrogen 2.857 N/A PHE 158.A N ASN 84.A O no hydrogen 2.846 N/A TRP 159.A N PHE 63.A O no hydrogen 2.862 N/A THR 160.A N SER 82.A O no hydrogen 2.933 N/A THR 160.A OG1 THR 62.A OG1 no hydrogen 2.707 N/A VAL 161.A N PHE 61.A O no hydrogen 2.915 N/A ALA 163.A N ILE 59.A O no hydrogen 2.893 N/A ARG 164.A NE GLU 53.A OE1 no hydrogen 2.910 N/A ARG 164.A NH1 GLU 57.A OE2 no hydrogen 2.744 N/A ARG 164.A NH2 GLU 53.A OE1 no hydrogen 3.383 N/A SER 165.A N ASN 162.A OD1 no hydrogen 2.960 N/A SER 165.A OG ILE 80.A O no hydrogen 2.741 N/A LEU 166.A N ASN 162.A O no hydrogen 2.850 N/A MET 167.A N ALA 163.A O no hydrogen 2.917 N/A ASN 168.A N ARG 164.A O no hydrogen 3.061 N/A PHE 169.A N SER 165.A O no hydrogen 2.889 N/A LEU 170.A N LEU 166.A O no hydrogen 2.805 N/A ASN 171.A N MET 167.A O no hydrogen 2.880 N/A LEU 172.A N ASN 168.A O no hydrogen 3.140 N/A ARG 173.A N PHE 169.A O no hydrogen 2.770 N/A ARG 173.A NE HIS 78.A NE2 no hydrogen 3.001 N/A ARG 173.A NH2 HIS 78.A NE2 no hydrogen 3.455 N/A ALA 174.A N LEU 170.A O no hydrogen 2.959 N/A SER 176.A N ASP 212.A OD1 no hydrogen 2.828 N/A SER 176.A OG ASP 212.A OD1 no hydrogen 3.421 N/A SER 176.A OG ASP 212.A OD2 no hydrogen 2.563 N/A HIS 177.A N ASP 175.A OD2 no hydrogen 3.024 N/A HIS 177.A ND1 ASP 175.A OD2 no hydrogen 2.728 N/A ALA 178.A N ASP 175.A O no hydrogen 3.031 N/A GLN 179.A NE2 GLU 181.A OE1 no hydrogen 3.013 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.904 N/A GLN 183.A N GLN 179.A O no hydrogen 3.010 N/A GLN 183.A NE2 ALA 178.A O no hydrogen 2.774 N/A GLN 184.A N TRP 180.A O no hydrogen 3.123 N/A GLN 184.A N GLU 181.A O no hydrogen 3.206 N/A TYR 185.A OH LYS 66.A O no hydrogen 2.729 N/A ALA 186.A N ILE 182.A O no hydrogen 2.878 N/A LEU 187.A N GLN 183.A O no hydrogen 2.911 N/A ALA 188.A N GLN 184.A O no hydrogen 3.410 N/A ILE 189.A N TYR 185.A O no hydrogen 2.952 N/A ALA 190.A N ALA 186.A O no hydrogen 2.862 N/A ARG 191.A N LEU 187.A O no hydrogen 3.030 N/A ILE 192.A N ALA 188.A O no hydrogen 3.086 N/A PHE 193.A N ILE 189.A O no hydrogen 2.937 N/A LYS 194.A N ALA 190.A O no hydrogen 2.889 N/A GLU 195.A N ARG 191.A O no hydrogen 3.090 N/A LYS 196.A N ILE 192.A O no hydrogen 3.004 N/A CYS 197.A N PHE 193.A O no hydrogen 2.811 N/A TRP 199.A N ASP 21.A OD2 no hydrogen 2.873 N/A THR 200.A N ASP 21.A OD1 no hydrogen 2.979 N/A THR 200.A OG1 ASP 21.A OD1 no hydrogen 2.707 N/A PHE 201.A N CYS 197.A O no hydrogen 2.911 N/A GLU 202.A N PRO 198.A O no hydrogen 2.997 N/A ALA 203.A N TRP 199.A O no hydrogen 2.997 N/A PHE 204.A N THR 200.A O no hydrogen 2.818 N/A LEU 205.A N.A PHE 201.A O no hydrogen 2.935 N/A LEU 205.A N.B PHE 201.A O no hydrogen 2.933 N/A LYS 206.A N GLU 202.A O no hydrogen 3.049 N/A LYS 206.A NZ TYR 207.A OH no hydrogen 2.705 N/A TYR 207.A N ALA 203.A O no hydrogen 2.968 N/A ALA 208.A N PHE 204.A O no hydrogen 2.927 N/A TYR 209.A N PHE 204.A O no hydrogen 2.754 N/A TYR 209.A OH ALA 174.A O no hydrogen 2.540 N/A LYS 210.A N ASN 171.A OD1 no hydrogen 2.832 N/A ILE 213.A N.A TYR 209.A OH no hydrogen 3.058 N/A ILE 213.A N.B TYR 209.A OH no hydrogen 3.107 N/A LEU 214.A N TYR 209.A OH no hydrogen 2.999 N/A