Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 130.A O no hydrogen 2.533 N/A ILE 4.A N PRO 54.A O no hydrogen 3.076 N/A LEU 5.A N TRP 133.A O no hydrogen 3.045 N/A CYS 6.A N ALA 56.A O no hydrogen 2.952 N/A VAL 7.A N HIS 135.A O no hydrogen 2.975 N/A GLY 8.A N MET 58.A O no hydrogen 3.252 N/A LEU 9.A N GLU 137.A OE1 no hydrogen 3.168 N/A VAL 11.A N GLY 38.A O no hydrogen 3.276 N/A LEU 12.A N PRO 93.A O no hydrogen 3.269 N/A ASP 13.A N GLN 36.A O no hydrogen 2.857 N/A VAL 14.A N SER 95.A O no hydrogen 2.787 N/A ILE 15.A N ARG 34.A O no hydrogen 2.863 N/A SER 16.A N CYS 97.A O no hydrogen 2.863 N/A LEU 17.A N SER 32.A O no hydrogen 2.791 N/A VAL 18.A N ILE 99.A O no hydrogen 3.059 N/A SER 26.A N LYS 23.A O no hydrogen 2.890 N/A SER 26.A OG LYS 23.A O no hydrogen 2.684 N/A CYS 30.A SG SER 32.A O no hydrogen 3.592 N/A LEU 31.A N LEU 17.A O no hydrogen 2.563 N/A SER 32.A N LEU 17.A O no hydrogen 3.432 N/A ARG 34.A N ILE 15.A O no hydrogen 3.190 N/A ARG 34.A NH1 GLN 290.A OE1 no hydrogen 3.253 N/A ARG 34.A NH2 GLN 290.A OE1 no hydrogen 2.826 N/A GLN 36.A N ASP 13.A O no hydrogen 2.910 N/A ARG 37.A NE ASP 73.A OD2 no hydrogen 2.760 N/A ARG 37.A NH1 SER 42.A O no hydrogen 3.105 N/A ARG 37.A NH1 SER 42.A OG no hydrogen 2.627 N/A ARG 37.A NH1 THR 46.A OG1 no hydrogen 3.125 N/A ARG 37.A NH2 THR 46.A OG1 no hydrogen 2.888 N/A ARG 37.A NH2 ASP 73.A OD2 no hydrogen 3.157 N/A GLY 38.A N VAL 11.A O no hydrogen 2.580 N/A ASN 40.A ND2 GLU 169.A OE2 no hydrogen 3.476 N/A ALA 41.A N GLU 137.A OE1 no hydrogen 3.078 N/A ASN 43.A N GLY 39.A O no hydrogen 2.835 N/A ASN 43.A ND2 ASP 256.A OD2 no hydrogen 2.826 N/A SER 44.A N ASN 40.A O no hydrogen 2.969 N/A SER 44.A OG ASN 40.A O no hydrogen 3.209 N/A SER 44.A OG ASP 256.A O no hydrogen 3.103 N/A CYS 45.A N ALA 41.A O no hydrogen 3.011 N/A CYS 45.A SG ALA 41.A O no hydrogen 3.729 N/A THR 46.A N SER 42.A O no hydrogen 3.181 N/A THR 46.A OG1 SER 42.A O no hydrogen 3.039 N/A VAL 47.A N ASN 43.A O no hydrogen 2.949 N/A LEU 48.A N SER 44.A O no hydrogen 2.808 N/A SER 49.A N CYS 45.A O no hydrogen 2.747 N/A SER 49.A OG ARG 77.A O no hydrogen 2.757 N/A LEU 50.A N THR 46.A O no hydrogen 2.854 N/A LEU 51.A N VAL 47.A O no hydrogen 2.956 N/A LEU 51.A N LEU 48.A O no hydrogen 2.880 N/A GLY 52.A N SER 49.A O no hydrogen 2.733 N/A ALA 53.A N LEU 48.A O no hydrogen 3.034 N/A CYS 55.A SG CYS 45.A O no hydrogen 3.535 N/A ALA 56.A N ILE 4.A O no hydrogen 2.875 N/A PHE 57.A N ASP 80.A O no hydrogen 2.928 N/A MET 58.A N CYS 6.A O no hydrogen 2.883 N/A SER 60.A OG GLN 87.A OE1 no hydrogen 3.141 N/A SER 60.A OG PRO 116.A O no hydrogen 2.705 N/A PHE 69.A N HIS 65.A O no hydrogen 3.270 N/A LEU 70.A N VAL 66.A O no hydrogen 3.071 N/A VAL 71.A N ALA 67.A O no hydrogen 2.778 N/A ALA 72.A N ASP 68.A O no hydrogen 3.054 N/A ASP 73.A N PHE 69.A O no hydrogen 3.124 N/A PHE 74.A N LEU 70.A O no hydrogen 2.943 N/A ARG 75.A N VAL 71.A O no hydrogen 2.999 N/A ARG 76.A N ALA 72.A O no hydrogen 2.939 N/A ARG 77.A N PHE 74.A O no hydrogen 3.235 N/A ARG 77.A NH2 ASP 293.A OD1 no hydrogen 2.820 N/A GLY 78.A N ARG 75.A O no hydrogen 2.823 N/A VAL 79.A N PHE 74.A O no hydrogen 2.883 N/A ASP 80.A N CYS 55.A O no hydrogen 3.136 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 3.117 N/A SER 82.A OG GLN 83.A OE1 no hydrogen 3.482 N/A VAL 84.A N VAL 81.A O no hydrogen 2.802 N/A ALA 85.A N GLY 59.A O no hydrogen 3.144 N/A GLN 87.A N MET 61.A O no hydrogen 3.081 N/A THR 92.A OG1 ALA 62.A O no hydrogen 3.314 N/A SER 94.A N HIS 111.A O no hydrogen 3.481 N/A SER 95.A N LEU 12.A O no hydrogen 2.874 N/A CYS 96.A N VAL 109.A O no hydrogen 3.083 N/A CYS 97.A N VAL 14.A O no hydrogen 2.764 N/A CYS 97.A SG ASP 13.A OD1 no hydrogen 3.218 N/A CYS 97.A SG SER 95.A OG no hydrogen 3.740 N/A ILE 98.A N THR 107.A O no hydrogen 2.910 N/A ILE 99.A N SER 16.A O no hydrogen 2.970 N/A ASN 100.A N ASN 105.A O no hydrogen 2.844 N/A ASN 101.A N VAL 18.A O no hydrogen 2.811 N/A ASN 101.A ND2 VAL 249.A O no hydrogen 3.185 N/A SER 102.A N ASN 100.A OD1 no hydrogen 2.951 N/A SER 102.A OG ASP 19.A O no hydrogen 3.062 N/A SER 102.A OG ASN 100.A OD1 no hydrogen 2.769 N/A ASN 103.A N ASN 100.A O no hydrogen 3.243 N/A GLY 104.A N ASN 100.A O no hydrogen 2.535 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 2.706 N/A THR 107.A N ILE 98.A O no hydrogen 2.841 N/A VAL 109.A N CYS 96.A O no hydrogen 3.151 N/A HIS 111.A N SER 94.A O no hydrogen 2.939 N/A THR 113.A OG1 ASP 91.A O no hydrogen 2.562 N/A SER 119.A N ASP 122.A OD2 no hydrogen 2.598 N/A SER 119.A OG ASP 122.A OD1 no hydrogen 3.086 N/A SER 119.A OG ASP 122.A OD2 no hydrogen 2.906 N/A ALA 120.A N GLU 143.A OE2 no hydrogen 2.464 N/A PHE 123.A N SER 119.A O no hydrogen 2.924 N/A GLU 124.A N ALA 120.A O no hydrogen 2.639 N/A LYS 125.A N ASP 122.A O no hydrogen 3.157 N/A VAL 126.A N PHE 123.A O no hydrogen 2.982 N/A THR 129.A N ASP 127.A OD1 no hydrogen 3.197 N/A THR 129.A OG1 ASP 127.A OD1 no hydrogen 2.637 N/A THR 129.A OG1 ASP 127.A OD2 no hydrogen 2.898 N/A LYS 132.A N GLN 3.A O no hydrogen 2.934 N/A LYS 132.A NZ SER 267.A O no hydrogen 3.026 N/A TRP 133.A NE1 SER 167.A OG no hydrogen 2.719 N/A ILE 134.A N ARG 165.A O no hydrogen 2.874 N/A HIS 135.A N LEU 5.A O no hydrogen 2.819 N/A HIS 135.A ND1 SER 167.A OG no hydrogen 2.898 N/A ILE 136.A N SER 167.A O no hydrogen 2.875 N/A GLU 137.A N VAL 7.A O no hydrogen 2.867 N/A GLY 138.A N GLU 169.A O no hydrogen 3.074 N/A ARG 139.A N GLN 144.A OE1 no hydrogen 3.192 N/A ARG 139.A NE ASP 117.A OD1 no hydrogen 3.091 N/A ASN 140.A N ASN 140.A OD1 no hydrogen 2.618 N/A ASN 140.A ND2 VAL 118.A O no hydrogen 2.925 N/A ALA 141.A N GLU 176.A OE1 no hydrogen 3.250 N/A SER 142.A N GLU 176.A OE2 no hydrogen 2.987 N/A SER 142.A OG GLU 176.A OE2 no hydrogen 3.096 N/A GLN 144.A N ASN 140.A O no hydrogen 3.084 N/A GLN 144.A N ALA 141.A O no hydrogen 2.537 N/A GLN 144.A NE2 GLU 137.A O no hydrogen 3.237 N/A VAL 145.A N ALA 141.A O no hydrogen 2.982 N/A LEU 148.A N GLN 144.A O no hydrogen 2.858 N/A GLN 149.A N VAL 145.A O no hydrogen 2.961 N/A ARG 150.A N LYS 146.A O no hydrogen 2.989 N/A ARG 150.A NH1 VAL 126.A O no hydrogen 3.265 N/A ARG 150.A NH2 VAL 126.A O no hydrogen 2.743 N/A ILE 151.A N LEU 148.A O no hydrogen 2.514 N/A ASP 152.A N LEU 148.A O no hydrogen 2.833 N/A ALA 153.A N GLN 149.A O no hydrogen 2.893 N/A HIS 154.A N ARG 150.A O no hydrogen 3.285 N/A ASN 155.A N ILE 151.A O no hydrogen 3.052 N/A ASN 155.A N ASP 152.A O no hydrogen 2.958 N/A THR 156.A N ALA 153.A O no hydrogen 3.110 N/A THR 156.A OG1 ALA 153.A O no hydrogen 2.612 N/A GLN 158.A N ASN 155.A O no hydrogen 3.074 N/A GLN 158.A NE2 HIS 154.A O no hydrogen 3.604 N/A GLN 162.A N PRO 159.A O no hydrogen 2.867 N/A LYS 163.A NZ ASN 155.A O no hydrogen 3.545 N/A ARG 165.A N LYS 132.A O no hydrogen 2.921 N/A VAL 166.A N ASP 185.A OD2 no hydrogen 2.644 N/A SER 167.A N ILE 134.A O no hydrogen 2.968 N/A SER 167.A OG HIS 135.A ND1 no hydrogen 2.898 N/A VAL 168.A N VAL 186.A O no hydrogen 2.961 N/A GLU 169.A N ILE 136.A O no hydrogen 2.985 N/A VAL 170.A N PHE 188.A O no hydrogen 2.769 N/A LEU 177.A N ARG 174.A O no hydrogen 3.186 N/A PHE 178.A N GLU 175.A O no hydrogen 3.099 N/A LEU 180.A N LEU 177.A O no hydrogen 3.030 N/A VAL 186.A N VAL 166.A O no hydrogen 3.180 N/A VAL 187.A N VAL 218.A O no hydrogen 2.843 N/A PHE 188.A N VAL 168.A O no hydrogen 2.692 N/A VAL 189.A N VAL 220.A O no hydrogen 3.026 N/A SER 190.A N VAL 170.A O no hydrogen 3.376 N/A SER 190.A OG GLU 171.A O no hydrogen 2.880 N/A ALA 194.A N SER 190.A O no hydrogen 3.099 N/A LYS 195.A N LYS 191.A O no hydrogen 2.970 N/A HIS 196.A N ASP 192.A O no hydrogen 3.041 N/A LEU 197.A N VAL 193.A O no hydrogen 3.005 N/A LEU 197.A N ALA 194.A O no hydrogen 3.054 N/A GLY 198.A N LYS 195.A O no hydrogen 2.925 N/A PHE 199.A N ALA 194.A O no hydrogen 3.229 N/A GLN 200.A N GLU 204.A OE1 no hydrogen 3.373 N/A SER 201.A OG GLU 203.A OE2 no hydrogen 3.367 N/A ALA 205.A N SER 201.A O no hydrogen 3.034 N/A LEU 206.A N ALA 202.A O no hydrogen 2.946 N/A ARG 207.A N GLU 203.A O no hydrogen 3.123 N/A ARG 207.A NH1 GLY 235.A O no hydrogen 3.195 N/A GLY 208.A N GLU 204.A O no hydrogen 2.863 N/A LEU 209.A N LEU 206.A O no hydrogen 3.427 N/A TYR 210.A N LEU 206.A O no hydrogen 3.129 N/A TYR 210.A OH ALA 217.A O no hydrogen 2.794 N/A ARG 212.A N LEU 209.A O no hydrogen 3.169 N/A VAL 213.A N TYR 210.A O no hydrogen 3.184 N/A ALA 217.A N ARG 214.A O no hydrogen 3.272 N/A VAL 218.A N ASP 185.A O no hydrogen 2.926 N/A LEU 219.A N LEU 231.A O no hydrogen 2.977 N/A VAL 220.A N VAL 187.A O no hydrogen 2.772 N/A CYS 221.A N ASP 229.A O no hydrogen 3.032 N/A CYS 221.A SG VAL 189.A O no hydrogen 3.415 N/A CYS 221.A SG ALA 222.A O no hydrogen 3.419 N/A GLU 226.A N TRP 223.A O no hydrogen 3.107 N/A GLY 227.A N ALA 224.A O no hydrogen 2.828 N/A ALA 228.A N SER 240.A O no hydrogen 3.120 N/A ASP 229.A N CYS 221.A O no hydrogen 3.237 N/A ALA 230.A N LEU 238.A O no hydrogen 2.977 N/A LEU 231.A N LEU 219.A O no hydrogen 3.027 N/A GLY 235.A N GLY 232.A O no hydrogen 3.123 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 2.679 N/A LEU 238.A N ALA 230.A O no hydrogen 2.922 N/A HIS 239.A ND1 ASP 229.A OD1 no hydrogen 2.707 N/A HIS 239.A NE2 ASP 241.A OD1 no hydrogen 2.895 N/A SER 240.A N ALA 228.A O no hydrogen 2.971 N/A SER 240.A OG ASP 241.A O no hydrogen 2.836 N/A VAL 249.A N CYS 287.A O no hydrogen 2.958 N/A THR 251.A N GLY 104.A O no hydrogen 2.948 N/A THR 251.A OG1 GLY 104.A O no hydrogen 2.783 N/A LEU 252.A N ASP 250.A OD1 no hydrogen 2.936 N/A ALA 254.A N THR 251.A O no hydrogen 3.382 N/A THR 257.A N GLY 253.A O no hydrogen 3.003 N/A THR 257.A OG1 GLY 253.A O no hydrogen 2.886 N/A PHE 258.A N ALA 254.A O no hydrogen 2.630 N/A ASN 259.A N GLY 255.A O no hydrogen 2.903 N/A ALA 260.A N ASP 256.A O no hydrogen 3.191 N/A SER 261.A N THR 257.A O no hydrogen 3.087 N/A SER 261.A OG THR 257.A O no hydrogen 3.059 N/A VAL 262.A N PHE 258.A O no hydrogen 2.898 N/A ILE 263.A N ASN 259.A O no hydrogen 2.880 N/A PHE 264.A N ALA 260.A O no hydrogen 2.664 N/A SER 265.A N SER 261.A O no hydrogen 3.002 N/A LEU 266.A N VAL 262.A O no hydrogen 2.958 N/A SER 267.A N ILE 263.A O no hydrogen 2.907 N/A SER 267.A OG PHE 264.A O no hydrogen 3.090 N/A GLN 268.A N SER 265.A O no hydrogen 3.175 N/A GLY 269.A N LEU 266.A O no hydrogen 2.754 N/A ARG 270.A N SER 265.A O no hydrogen 3.276 N/A SER 271.A N GLU 274.A OE2 no hydrogen 3.012 N/A GLU 274.A N SER 271.A OG no hydrogen 3.231 N/A ALA 275.A N SER 271.A O no hydrogen 2.804 N/A LEU 276.A N VAL 272.A O no hydrogen 2.941 N/A ARG 277.A N GLN 273.A O no hydrogen 3.197 N/A ARG 277.A NH2 SER 240.A OG no hydrogen 2.756 N/A ARG 277.A NH2 ASP 241.A O no hydrogen 3.161 N/A PHE 278.A N GLU 274.A O no hydrogen 3.072 N/A GLY 279.A N ALA 275.A O no hydrogen 2.846 N/A CYS 280.A N LEU 276.A O no hydrogen 3.231 N/A CYS 280.A SG SER 240.A O no hydrogen 4.000 N/A CYS 280.A SG SER 240.A OG no hydrogen 3.481 N/A CYS 280.A SG ASP 241.A O no hydrogen 3.737 N/A CYS 280.A SG LEU 276.A O no hydrogen 3.281 N/A GLN 281.A N ARG 277.A O no hydrogen 2.965 N/A VAL 282.A N PHE 278.A O no hydrogen 2.856 N/A VAL 282.A N GLY 279.A O no hydrogen 3.136 N/A ALA 283.A N GLY 279.A O no hydrogen 2.934 N/A GLY 284.A N CYS 280.A O no hydrogen 2.915 N/A LYS 285.A N GLN 281.A O no hydrogen 3.266 N/A LYS 285.A NZ GLY 294.A O no hydrogen 3.186 N/A LYS 286.A N VAL 282.A O no hydrogen 2.833 N/A LYS 286.A NZ ASP 250.A O no hydrogen 2.892 N/A LYS 286.A NZ ASP 250.A OD2 no hydrogen 3.201 N/A LYS 286.A NZ LYS 286.A O no hydrogen 3.224 N/A LYS 286.A NZ GLY 291.A O no hydrogen 3.052 N/A CYS 287.A N ALA 283.A O no hydrogen 3.110 N/A CYS 287.A SG ALA 283.A O no hydrogen 3.181 N/A GLY 288.A N LYS 285.A O no hydrogen 3.153 N/A LEU 289.A N LYS 286.A O no hydrogen 2.845 N/A GLN 290.A NE2 VAL 249.A O no hydrogen 2.642 N/A GLY 291.A N ASP 250.A OD2 no hydrogen 3.186 N/A ILE 295.A N PHE 292.A O no hydrogen 3.142 N/A