Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 2.A OD1 no hydrogen 2.455 N/A THR 3.A OG1 ASP 2.A OD1 no hydrogen 3.274 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.632 N/A GLY 6.A N THR 3.A OG1 no hydrogen 3.124 N/A SER 7.A N THR 3.A O no hydrogen 2.705 N/A SER 7.A OG THR 3.A O no hydrogen 3.177 N/A SER 7.A OG LEU 4.A O no hydrogen 2.861 N/A MET 8.A N LEU 4.A O no hydrogen 2.965 N/A ALA 9.A N GLU 5.A O no hydrogen 3.081 N/A GLN 10.A N GLY 6.A O no hydrogen 2.976 N/A LEU 11.A N SER 7.A O no hydrogen 2.694 N/A LYS 12.A N MET 8.A O no hydrogen 2.974 N/A LYS 13.A N ALA 9.A O no hydrogen 2.978 N/A GLY 14.A N GLN 10.A O no hydrogen 3.054 N/A LEU 15.A N LEU 11.A O no hydrogen 2.900 N/A GLU 16.A N LYS 12.A O no hydrogen 2.855 N/A SER 17.A OG LYS 13.A O no hydrogen 2.511 N/A VAL 20.A N GLY 14.A O no hydrogen 3.235 N/A GLN 23.A N THR 19.A O no hydrogen 3.027 N/A PHE 24.A N VAL 20.A O no hydrogen 3.060 N/A GLU 25.A N LEU 21.A O no hydrogen 3.031 N/A GLN 26.A N ILE 22.A O no hydrogen 2.956 N/A LEU 27.A N PHE 24.A O no hydrogen 3.245 N/A TYR 28.A OH ASP 253.A OD1 no hydrogen 2.519 N/A LYS 31.A N TYR 56.A OH no hydrogen 2.933 N/A LEU 34.A N LYS 31.A O no hydrogen 3.266 N/A THR 37.A N ASP 57.A OD1 no hydrogen 2.984 N/A THR 37.A N ASP 57.A OD2 no hydrogen 3.201 N/A THR 37.A OG1 ASP 57.A OD1 no hydrogen 3.433 N/A THR 37.A OG1 ASP 57.A OD2 no hydrogen 2.659 N/A PHE 38.A N ASP 57.A OD1 no hydrogen 3.153 N/A LYS 40.A N THR 37.A O no hydrogen 2.889 N/A LYS 40.A NZ ILE 36.A O no hydrogen 2.550 N/A LEU 41.A N PHE 38.A O no hydrogen 3.190 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.677 N/A ASN 44.A N LEU 41.A O no hydrogen 2.993 N/A ASN 44.A ND2 PHE 38.A O no hydrogen 2.802 N/A LEU 45.A N LEU 41.A O no hydrogen 3.152 N/A LYS 47.A N ASN 44.A O no hydrogen 2.893 N/A LYS 47.A NZ GLN 43.A O no hydrogen 2.789 N/A ASN 48.A N LEU 45.A O no hydrogen 3.168 N/A ASN 48.A ND2 ALA 39.A O no hydrogen 3.057 N/A ASN 48.A ND2 LEU 45.A O no hydrogen 3.336 N/A ARG 49.A N GLN 92.A OE1 no hydrogen 2.897 N/A ARG 49.A NE GLY 93.A O no hydrogen 2.936 N/A ARG 49.A NH2 GLY 93.A O no hydrogen 3.346 N/A ARG 49.A NH2 PRO 94.A O no hydrogen 2.806 N/A TYR 50.A OH SER 217.A OG no hydrogen 2.767 N/A ASP 52.A N ASP 52.A OD1 no hydrogen 2.587 N/A VAL 53.A N TYR 50.A O no hydrogen 3.339 N/A TYR 56.A OH ARG 252.A O no hydrogen 2.630 N/A ASP 57.A N ALA 35.A O no hydrogen 3.077 N/A THR 59.A N TYR 56.A O no hydrogen 3.404 N/A THR 59.A OG1 GLN 254.A O no hydrogen 2.606 N/A VAL 61.A N ALA 72.A O no hydrogen 2.957 N/A GLN 64.A N ASP 108.A OD2 no hydrogen 2.985 N/A TYR 69.A OH ASN 48.A OD1 no hydrogen 2.769 N/A ASN 71.A ND2 ASN 48.A OD1 no hydrogen 2.787 N/A ASN 71.A ND2 VAL 53.A O no hydrogen 2.878 N/A SER 73.A N ALA 90.A O no hydrogen 2.808 N/A TYR 74.A N THR 59.A O no hydrogen 2.717 N/A VAL 75.A N TYR 88.A O no hydrogen 3.078 N/A ASN 76.A N GLN 254.A OE1 no hydrogen 2.624 N/A MET 77.A N ASN 86.A O no hydrogen 3.056 N/A ILE 79.A N LEU 84.A O no hydrogen 2.657 N/A ALA 82.A N ILE 79.A O no hydrogen 2.948 N/A ASN 83.A N PRO 80.A O no hydrogen 2.958 N/A LEU 84.A N ILE 79.A O no hydrogen 3.074 N/A ASN 86.A N MET 77.A O no hydrogen 2.931 N/A TYR 88.A N VAL 75.A O no hydrogen 2.798 N/A TYR 88.A OH GLU 230.A OE2 no hydrogen 2.435 N/A ILE 89.A N VAL 212.A O no hydrogen 2.889 N/A ALA 90.A N SER 73.A O no hydrogen 2.913 N/A THR 91.A N VAL 214.A O no hydrogen 3.060 N/A THR 91.A OG1 ASN 71.A O no hydrogen 2.442 N/A GLN 92.A N ASN 71.A O no hydrogen 3.468 N/A GLN 92.A NE2 LYS 47.A O no hydrogen 2.764 N/A GLY 93.A N SER 217.A O no hydrogen 2.850 N/A LEU 95.A N THR 98.A OG1 no hydrogen 2.673 N/A HIS 97.A NE2 ASP 46.A O no hydrogen 2.932 N/A THR 98.A N LEU 95.A O no hydrogen 2.957 N/A THR 98.A OG1 LEU 95.A O no hydrogen 3.279 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.381 N/A GLN 101.A NE2 HIS 97.A O no hydrogen 3.626 N/A PHE 102.A N THR 98.A O no hydrogen 3.073 N/A TRP 103.A N CYS 99.A O no hydrogen 3.155 N/A TRP 103.A NE1 TYR 131.A O no hydrogen 3.213 N/A GLN 104.A N ALA 100.A O no hydrogen 3.129 N/A GLN 104.A NE2 GLN 104.A O no hydrogen 3.643 N/A GLN 104.A NE2 ASP 108.A OD1 no hydrogen 2.692 N/A VAL 105.A N GLN 101.A O no hydrogen 3.197 N/A VAL 106.A N PHE 102.A O no hydrogen 3.271 N/A TRP 107.A N TRP 103.A O no hydrogen 2.841 N/A ASP 108.A N GLN 104.A O no hydrogen 2.739 N/A GLN 109.A N VAL 105.A O no hydrogen 3.294 N/A GLN 109.A NE2 TYR 74.A OH no hydrogen 3.084 N/A LYS 110.A N TRP 107.A O no hydrogen 3.207 N/A LEU 111.A N VAL 106.A O no hydrogen 3.027 N/A SER 112.A N GLU 210.A OE2 no hydrogen 2.921 N/A SER 112.A OG.A GLU 210.A OE2 no hydrogen 2.552 N/A SER 112.A OG.B LYS 110.A O no hydrogen 3.496 N/A SER 112.A OG.B GLU 210.A OE1 no hydrogen 3.092 N/A SER 112.A OG.B GLU 210.A OE2 no hydrogen 3.222 N/A ILE 114.A N THR 176.A O no hydrogen 2.873 N/A VAL 115.A N LEU 213.A O no hydrogen 2.730 N/A MET 116.A N LEU 178.A O no hydrogen 2.664 N/A LEU 117.A N HIS 215.A O no hydrogen 2.808 N/A THR 118.A OG1 THR 119.A O no hydrogen 2.919 N/A THR 119.A OG1 THR 121.A O no hydrogen 2.971 N/A GLU 122.A N ARG 125.A O no hydrogen 2.816 N/A ARG 125.A N GLU 122.A O no hydrogen 2.947 N/A LYS 127.A N LEU 120.A O no hydrogen 2.722 N/A LYS 127.A NZ GLU 122.A OE1 no hydrogen 3.337 N/A CYS 128.A N LEU 120.A O no hydrogen 3.256 N/A CYS 128.A SG HIS 129.A O no hydrogen 3.326 N/A HIS 129.A N PRO 94.A O no hydrogen 3.190 N/A GLN 130.A NE2 TRP 132.A O no hydrogen 2.935 N/A GLN 130.A NE2 ASP 134.A OD2 no hydrogen 3.117 N/A TYR 131.A OH HIS 177.A NE2 no hydrogen 2.792 N/A TYR 131.A OH HIS 215.A NE2 no hydrogen 2.839 N/A MET 139.A N ILE 146.A O no hydrogen 3.231 N/A HIS 141.A N PHE 144.A O no hydrogen 2.910 N/A PHE 144.A N HIS 141.A O no hydrogen 3.136 N/A HIS 145.A N THR 165.A O no hydrogen 2.728 N/A HIS 145.A ND1 ASN 140.A OD1 no hydrogen 2.609 N/A ILE 146.A N MET 139.A O no hydrogen 2.879 N/A GLN 147.A N LEU 163.A O no hydrogen 3.021 N/A CYS 148.A SG SER 150.A O no hydrogen 3.391 N/A CYS 148.A SG GLU 161.A O no hydrogen 4.001 N/A GLN 149.A N GLU 161.A O no hydrogen 2.868 N/A ASP 152.A N SER 159.A O no hydrogen 3.009 N/A CYS 153.A SG THR 154.A O no hydrogen 3.833 N/A THR 154.A N TYR 157.A O no hydrogen 2.858 N/A ALA 156.A N THR 154.A OG1 no hydrogen 3.033 N/A TYR 157.A N THR 154.A OG1 no hydrogen 3.173 N/A VAL 158.A N GLN 179.A O no hydrogen 2.782 N/A SER 159.A N ASP 152.A O no hydrogen 2.774 N/A ARG 160.A N HIS 177.A O no hydrogen 2.783 N/A ARG 160.A NE GLU 151.A OE2 no hydrogen 2.962 N/A ARG 160.A NH2 GLN 179.A OE1 no hydrogen 3.156 N/A GLU 161.A N SER 150.A O no hydrogen 3.185 N/A MET 162.A N VAL 175.A O no hydrogen 2.755 N/A LEU 163.A N GLN 147.A O no hydrogen 2.869 N/A VAL 164.A N HIS 173.A O no hydrogen 2.733 N/A THR 165.A N HIS 145.A O no hydrogen 2.691 N/A ASN 166.A N GLU 171.A O no hydrogen 2.959 N/A THR 167.A N GLY 143.A O no hydrogen 3.197 N/A THR 167.A OG1 GLY 143.A O no hydrogen 2.990 N/A GLN 168.A N ASN 166.A OD1 no hydrogen 2.978 N/A GLY 170.A N ASN 166.A O no hydrogen 2.809 N/A GLU 171.A N THR 169.A OG1 no hydrogen 3.314 N/A HIS 173.A N VAL 164.A O no hydrogen 2.891 N/A HIS 173.A NE2 LEU 111.A O no hydrogen 2.702 N/A VAL 175.A N MET 162.A O no hydrogen 2.822 N/A THR 176.A N SER 112.A O no hydrogen 2.763 N/A THR 176.A OG1 GLU 161.A OE1 no hydrogen 2.950 N/A THR 176.A OG1 GLU 161.A OE2 no hydrogen 2.875 N/A HIS 177.A N ARG 160.A O no hydrogen 2.770 N/A HIS 177.A NE2 TYR 131.A OH no hydrogen 2.792 N/A LEU 178.A N ILE 114.A O no hydrogen 2.793 N/A GLN 179.A N VAL 158.A O no hydrogen 2.850 N/A GLN 179.A NE2 THR 118.A O no hydrogen 2.898 N/A TYR 180.A N MET 116.A O no hydrogen 2.789 N/A VAL 181.A N ALA 156.A O no hydrogen 2.770 N/A TRP 183.A NE1 GLY 187.A O no hydrogen 2.666 N/A ALA 185.A N GLU 122.A OE1 no hydrogen 3.278 N/A ALA 185.A N GLU 122.A OE2 no hydrogen 2.920 N/A HIS 186.A ND1 GLN 260.A OE1 no hydrogen 2.842 N/A GLY 187.A N PRO 184.A O no hydrogen 2.937 N/A ASP 190.A N ALA 182.A O no hydrogen 2.804 N/A ASP 194.A N ASP 191.A OD1 no hydrogen 2.806 N/A PHE 195.A N ASP 191.A O no hydrogen 3.128 N/A LEU 196.A N SER 192.A O no hydrogen 3.047 N/A GLU 197.A N SER 193.A O no hydrogen 2.975 N/A PHE 198.A N ASP 194.A O no hydrogen 2.802 N/A VAL 199.A N PHE 195.A O no hydrogen 2.884 N/A ASN 200.A N LEU 196.A O no hydrogen 3.122 N/A ASN 200.A ND2 LEU 196.A O no hydrogen 3.040 N/A TYR 201.A N GLU 197.A O no hydrogen 2.913 N/A VAL 202.A N PHE 198.A O no hydrogen 2.880 N/A ARG 203.A N VAL 199.A O no hydrogen 2.981 N/A ARG 203.A NH1 GLU 237.A OE1 no hydrogen 3.395 N/A ARG 203.A NH1 GLU 237.A OE2 no hydrogen 2.723 N/A ARG 203.A NH2 GLU 237.A OE1 no hydrogen 3.028 N/A SER 204.A N ASN 200.A O no hydrogen 2.995 N/A SER 204.A OG TYR 201.A O no hydrogen 3.151 N/A LEU 205.A N TYR 201.A O no hydrogen 3.036 N/A LEU 205.A N VAL 202.A O no hydrogen 3.189 N/A ARG 206.A N ARG 203.A O no hydrogen 3.306 N/A ARG 206.A NE GLU 230.A OE1 no hydrogen 2.974 N/A ARG 206.A NH1 LYS 87.A O no hydrogen 2.980 N/A ARG 206.A NH2 LYS 87.A O no hydrogen 3.543 N/A ARG 206.A NH2 GLU 230.A OE2 no hydrogen 2.976 N/A GLU 210.A N VAL 207.A O no hydrogen 3.219 N/A VAL 212.A N LYS 87.A O no hydrogen 3.197 N/A LEU 213.A N LEU 113.A O no hydrogen 3.149 N/A VAL 214.A N ILE 89.A O no hydrogen 2.809 N/A HIS 215.A N VAL 115.A O no hydrogen 2.847 N/A HIS 215.A ND1 SER 216.A O no hydrogen 3.011 N/A HIS 215.A NE2 TYR 131.A OH no hydrogen 2.839 N/A SER 217.A OG TYR 50.A OH no hydrogen 2.767 N/A SER 217.A OG LYS 127.A O no hydrogen 2.756 N/A GLY 219.A N SER 216.A OG no hydrogen 3.090 N/A ARG 222.A NH1 TRP 183.A O no hydrogen 3.013 N/A GLY 224.A N ILE 220.A O no hydrogen 3.225 N/A VAL 225.A N GLY 221.A O no hydrogen 3.339 N/A LEU 226.A N ARG 222.A O no hydrogen 3.098 N/A VAL 227.A N THR 223.A O no hydrogen 2.917 N/A THR 228.A N GLY 224.A O no hydrogen 3.019 N/A THR 228.A OG1 GLY 224.A O no hydrogen 2.915 N/A MET 229.A N VAL 225.A O no hydrogen 3.112 N/A GLU 230.A N LEU 226.A O no hydrogen 2.973 N/A THR 231.A N VAL 227.A O no hydrogen 3.097 N/A THR 231.A OG1 VAL 227.A O no hydrogen 2.705 N/A ALA 232.A N THR 228.A O no hydrogen 2.922 N/A MET 233.A N MET 229.A O no hydrogen 3.065 N/A CYS 234.A N GLU 230.A O no hydrogen 3.146 N/A CYS 234.A SG GLU 230.A O no hydrogen 3.457 N/A LEU 235.A N THR 231.A O no hydrogen 3.121 N/A THR 236.A N ALA 232.A O no hydrogen 2.947 N/A THR 236.A OG1 ALA 232.A O no hydrogen 2.707 N/A GLU 237.A N MET 233.A O no hydrogen 3.262 N/A ARG 238.A N LEU 235.A O no hydrogen 2.978 N/A ARG 238.A NH1 CYS 234.A O no hydrogen 2.705 N/A ASN 239.A N THR 236.A O no hydrogen 3.226 N/A LEU 240.A N LEU 235.A O no hydrogen 2.937 N/A ILE 242.A N SER 7.A OG no hydrogen 3.052 N/A TYR 243.A OH ALA 1.A O no hydrogen 2.319 N/A ASP 246.A N TYR 243.A O no hydrogen 2.909 N/A ILE 247.A N TYR 243.A O no hydrogen 3.167 N/A VAL 248.A N PRO 244.A O no hydrogen 2.910 N/A ARG 249.A N LEU 245.A O no hydrogen 2.992 N/A LYS 250.A N ASP 246.A O no hydrogen 3.022 N/A MET 251.A N ILE 247.A O no hydrogen 3.126 N/A ARG 252.A N VAL 248.A O no hydrogen 2.856 N/A ARG 252.A NE MET 258.A O no hydrogen 3.023 N/A ARG 252.A NH1 TYR 28.A O no hydrogen 2.868 N/A ARG 252.A NH2 MET 258.A O no hydrogen 3.143 N/A ARG 252.A NH2 VAL 259.A O no hydrogen 3.358 N/A ASP 253.A N ARG 249.A O no hydrogen 2.891 N/A GLN 254.A N MET 251.A O no hydrogen 2.793 N/A GLN 254.A NE2 ASN 76.A O no hydrogen 2.932 N/A GLN 254.A NE2 LYS 250.A O no hydrogen 2.787 N/A ARG 255.A N MET 251.A O no hydrogen 2.882 N/A ARG 255.A NE GLY 219.A O no hydrogen 2.969 N/A ARG 255.A NH1 ASN 71.A OD1 no hydrogen 3.316 N/A ARG 255.A NH1 SER 73.A OG no hydrogen 2.912 N/A ARG 255.A NH2 ASN 71.A OD1 no hydrogen 3.019 N/A ARG 255.A NH2 ALA 218.A O no hydrogen 3.065 N/A MET 257.A N ARG 29.A O no hydrogen 2.907 N/A VAL 259.A N ILE 220.A O no hydrogen 2.858 N/A THR 261.A N GLN 264.A OE1 no hydrogen 3.127 N/A GLN 264.A N THR 261.A OG1 no hydrogen 2.952 N/A GLN 264.A NE2 GLY 187.A O no hydrogen 3.263 N/A TYR 265.A N THR 261.A O no hydrogen 3.157 N/A LYS 266.A N SER 262.A O no hydrogen 2.802 N/A PHE 267.A N SER 263.A O no hydrogen 2.880 N/A VAL 268.A N GLN 264.A O no hydrogen 3.100 N/A CYS 269.A N TYR 265.A O no hydrogen 3.022 N/A CYS 269.A SG TYR 265.A O no hydrogen 3.411 N/A GLU 270.A N LYS 266.A O no hydrogen 3.094 N/A ALA 271.A N PHE 267.A O no hydrogen 3.083 N/A ILE 272.A N VAL 268.A O no hydrogen 3.003 N/A LEU 273.A N CYS 269.A O no hydrogen 3.119 N/A ARG 274.A N GLU 270.A O no hydrogen 2.890 N/A ARG 274.A NE GLU 278.A OE2 no hydrogen 3.294 N/A ARG 274.A NH1 SER 193.A OG no hydrogen 3.181 N/A VAL 275.A N ALA 271.A O no hydrogen 2.866 N/A TYR 276.A N ILE 272.A O no hydrogen 3.155 N/A GLU 277.A N LEU 273.A O no hydrogen 2.956 N/A GLU 278.A N ARG 274.A O no hydrogen 3.086 N/A GLY 279.A N VAL 275.A O no hydrogen 3.200 N/A GLY 279.A N TYR 276.A O no hydrogen 3.320 N/A LEU 280.A N GLU 277.A O no hydrogen 3.384 N/A