Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 197.A OD1 no hydrogen 3.050 N/A SER 1.A N ASP 197.A OD2 no hydrogen 2.632 N/A ILE 4.A N ILE 2.A O no hydrogen 2.551 N/A ASP 5.A N THR 8.A OG1 no hydrogen 3.363 N/A ASN 7.A N ASP 5.A OD1 no hydrogen 2.870 N/A THR 8.A N ASP 5.A O no hydrogen 2.679 N/A THR 8.A OG1 ASP 5.A O no hydrogen 3.467 N/A VAL 10.A N LYS 33.A O no hydrogen 3.075 N/A ILE 11.A N ALA 67.A O no hydrogen 3.104 N/A CYS 12.A N GLY 36.A O no hydrogen 3.255 N/A GLN 13.A N VAL 69.A O no hydrogen 2.935 N/A GLY 14.A N VAL 38.A O no hydrogen 2.963 N/A THR 16.A OG1 THR 39.A OG1 no hydrogen 2.673 N/A THR 21.A N GLY 17.A O no hydrogen 2.731 N/A THR 21.A OG1 GLY 17.A O no hydrogen 3.040 N/A THR 21.A OG1 HIS 47.A NE2 no hydrogen 2.723 N/A PHE 22.A N SER 18.A O no hydrogen 3.076 N/A HIS 23.A N GLN 19.A O no hydrogen 3.068 N/A SER 24.A N GLY 20.A O no hydrogen 3.125 N/A SER 24.A N THR 21.A O no hydrogen 2.887 N/A SER 24.A OG GLY 20.A O no hydrogen 2.976 N/A GLU 25.A N THR 21.A O no hydrogen 2.912 N/A ALA 27.A N HIS 23.A O no hydrogen 3.435 N/A ILE 28.A N SER 24.A O no hydrogen 2.726 N/A ALA 29.A N GLU 25.A O no hydrogen 3.213 N/A TYR 30.A N GLN 26.A O no hydrogen 2.835 N/A THR 32.A N ALA 27.A O no hydrogen 2.854 N/A THR 32.A OG1 LYS 133.A O no hydrogen 2.594 N/A LYS 33.A NZ LYS 6.A O no hydrogen 2.738 N/A MET 34.A N THR 32.A O no hydrogen 2.901 N/A VAL 35.A N VAL 10.A O no hydrogen 2.862 N/A GLY 37.A N PRO 51.A O no hydrogen 3.094 N/A VAL 38.A N CYS 12.A O no hydrogen 2.865 N/A THR 39.A N PHE 53.A O no hydrogen 3.032 N/A THR 39.A OG1 THR 16.A OG1 no hydrogen 2.673 N/A THR 39.A OG1 VAL 38.A O no hydrogen 2.997 N/A GLY 41.A N ASN 54.A OD1 no hydrogen 2.930 N/A LYS 42.A N THR 39.A O no hydrogen 2.986 N/A GLY 43.A N ASN 54.A OD1 no hydrogen 2.914 N/A GLY 44.A N VAL 52.A O no hydrogen 2.928 N/A THR 45.A OG1 LYS 42.A O no hydrogen 3.029 N/A HIS 47.A N LEU 50.A O no hydrogen 2.931 N/A HIS 47.A NE2 THR 21.A OG1 no hydrogen 2.723 N/A VAL 52.A N THR 45.A O no hydrogen 2.859 N/A PHE 53.A N GLY 37.A O no hydrogen 2.846 N/A ASN 54.A N GLU 58.A OE1 no hydrogen 3.283 N/A VAL 56.A N GLU 83.A OE2 no hydrogen 3.252 N/A ARG 57.A NH1 ASP 86.A OD1 no hydrogen 3.561 N/A ARG 57.A NH2 ASP 86.A OD1 no hydrogen 2.783 N/A ALA 59.A N THR 55.A O no hydrogen 3.255 N/A VAL 60.A N VAL 56.A O no hydrogen 3.113 N/A ALA 61.A N ARG 57.A O no hydrogen 3.007 N/A ALA 62.A N GLU 58.A O no hydrogen 3.229 N/A THR 63.A N ALA 59.A O no hydrogen 2.876 N/A THR 63.A OG1 ALA 59.A O no hydrogen 3.195 N/A GLY 64.A N VAL 60.A O no hydrogen 3.269 N/A ALA 65.A N THR 63.A OG1 no hydrogen 3.191 N/A THR 66.A N LYS 9.A O no hydrogen 3.297 N/A SER 68.A N LEU 91.A O no hydrogen 2.799 N/A SER 68.A OG ILE 11.A O no hydrogen 3.353 N/A SER 68.A OG GLN 13.A OE1 no hydrogen 3.013 N/A VAL 69.A N ILE 11.A O no hydrogen 3.102 N/A ILE 70.A N ILE 93.A O no hydrogen 2.571 N/A TYR 71.A N GLN 13.A O no hydrogen 3.031 N/A PHE 76.A N PRO 73.A O no hydrogen 2.974 N/A CYS 77.A N ALA 74.A O no hydrogen 3.006 N/A CYS 77.A SG VAL 72.A O no hydrogen 3.507 N/A CYS 77.A SG THR 96.A OG1 no hydrogen 3.412 N/A SER 80.A N PHE 76.A O no hydrogen 3.324 N/A SER 80.A N CYS 77.A O no hydrogen 2.973 N/A SER 80.A OG PHE 76.A O no hydrogen 3.512 N/A SER 80.A OG CYS 77.A O no hydrogen 3.126 N/A ILE 81.A N CYS 77.A O no hydrogen 2.827 N/A LEU 82.A N LYS 78.A O no hydrogen 3.079 N/A GLU 83.A N ASP 79.A O no hydrogen 3.031 N/A ALA 84.A N SER 80.A O no hydrogen 2.826 N/A ILE 85.A N ILE 81.A O no hydrogen 3.399 N/A ASP 86.A N LEU 82.A O no hydrogen 3.241 N/A ALA 87.A N GLU 83.A O no hydrogen 3.242 N/A ALA 87.A N ALA 84.A O no hydrogen 2.728 N/A GLY 88.A N ILE 85.A O no hydrogen 2.973 N/A LYS 90.A N THR 66.A O no hydrogen 3.012 N/A LEU 91.A N THR 66.A O no hydrogen 3.176 N/A ILE 92.A N ARG 117.A O no hydrogen 2.527 N/A ILE 93.A N SER 68.A O no hydrogen 2.698 N/A THR 94.A N ILE 119.A O no hydrogen 3.119 N/A ILE 95.A N ILE 70.A O no hydrogen 2.953 N/A THR 96.A OG1 VAL 72.A O no hydrogen 2.228 N/A ASP 103.A N PRO 100.A O no hydrogen 2.887 N/A MET 104.A N PRO 100.A O no hydrogen 3.369 N/A LEU 105.A N THR 101.A O no hydrogen 2.981 N/A THR 106.A N LEU 102.A O no hydrogen 3.437 N/A VAL 107.A N ASP 103.A O no hydrogen 3.003 N/A LYS 108.A N MET 104.A O no hydrogen 2.692 N/A LYS 108.A NZ ASP 112.A OD1 no hydrogen 3.538 N/A LYS 108.A NZ GLY 184.A O no hydrogen 2.650 N/A LYS 110.A N THR 106.A O no hydrogen 3.303 N/A LYS 110.A NZ GLU 113.A OE2 no hydrogen 3.430 N/A LEU 111.A N VAL 107.A O no hydrogen 2.904 N/A ASP 112.A N LYS 108.A O no hydrogen 3.121 N/A GLU 113.A N VAL 109.A O no hydrogen 3.214 N/A ALA 114.A N LYS 110.A O no hydrogen 3.066 N/A GLY 115.A N ASP 112.A O no hydrogen 2.706 N/A VAL 116.A N LEU 111.A O no hydrogen 3.150 N/A ARG 117.A N LYS 90.A O no hydrogen 3.332 N/A ILE 119.A N ILE 92.A O no hydrogen 2.744 N/A ASN 122.A N THR 96.A O no hydrogen 2.734 N/A ASN 122.A ND2 ASP 180.A OD1 no hydrogen 2.809 N/A CYS 123.A N ILE 95.A O no hydrogen 2.839 N/A CYS 123.A SG ASN 122.A OD1 no hydrogen 3.976 N/A VAL 126.A N ILE 134.A O no hydrogen 3.066 N/A ILE 127.A N CYS 174.A O no hydrogen 3.206 N/A THR 128.A N CYS 132.A O no hydrogen 2.846 N/A THR 128.A OG1 ILE 4.A O no hydrogen 3.215 N/A THR 128.A OG1 THR 173.A OG1 no hydrogen 3.351 N/A GLY 130.A N TYR 30.A OH no hydrogen 2.856 N/A CYS 132.A N THR 128.A O no hydrogen 2.766 N/A CYS 132.A SG THR 32.A OG1 no hydrogen 3.655 N/A LYS 133.A N THR 32.A OG1 no hydrogen 2.815 N/A LYS 133.A NZ GLN 137.A O no hydrogen 3.144 N/A ILE 134.A N VAL 126.A O no hydrogen 3.154 N/A LYS 143.A N GLN 171.A OE1 no hydrogen 2.936 N/A GLY 145.A N GLN 171.A O no hydrogen 2.768 N/A LYS 146.A NZ GLU 201.A OE2 no hydrogen 3.178 N/A VAL 147.A N GLY 170.A O no hydrogen 3.090 N/A GLY 148.A N ALA 202.A O no hydrogen 3.038 N/A ILE 149.A N THR 173.A O no hydrogen 3.509 N/A VAL 150.A N VAL 204.A O no hydrogen 3.080 N/A SER 151.A N VAL 175.A O no hydrogen 3.009 N/A SER 151.A OG SER 153.A O no hydrogen 2.615 N/A ARG 152.A N ILE 206.A O no hydrogen 3.195 N/A ARG 152.A NH1 ILE 209.A O no hydrogen 3.199 N/A ARG 152.A NH1 GLY 210.A O no hydrogen 3.170 N/A ARG 152.A NH1 GLU 214.A OE2 no hydrogen 3.197 N/A ARG 152.A NH2 GLY 248.A O no hydrogen 3.072 N/A LEU 156.A N SER 153.A OG no hydrogen 3.000 N/A THR 157.A N GLY 154.A O no hydrogen 2.810 N/A ALA 160.A N LEU 156.A O no hydrogen 3.229 N/A VAL 161.A N THR 157.A O no hydrogen 2.680 N/A VAL 161.A N TYR 158.A O no hydrogen 3.225 N/A LYS 162.A N TYR 158.A O no hydrogen 3.074 N/A GLN 163.A N GLU 159.A O no hydrogen 3.119 N/A GLN 163.A NE2 LEU 276.A O no hydrogen 2.791 N/A THR 164.A N ALA 160.A O no hydrogen 3.439 N/A THR 164.A OG1 ALA 160.A O no hydrogen 3.164 N/A THR 164.A OG1 VAL 161.A O no hydrogen 2.628 N/A THR 165.A N VAL 161.A O no hydrogen 3.012 N/A THR 165.A N LYS 162.A O no hydrogen 2.873 N/A THR 165.A OG1 ILE 141.A O no hydrogen 2.491 N/A ASP 166.A N LYS 162.A O no hydrogen 2.862 N/A TYR 167.A N GLN 163.A O no hydrogen 3.179 N/A TYR 167.A OH GLU 281.A OE1 no hydrogen 3.085 N/A GLY 168.A N THR 165.A O no hydrogen 2.949 N/A GLY 170.A N THR 164.A O no hydrogen 3.141 N/A GLN 171.A N LYS 143.A O no hydrogen 2.842 N/A GLN 171.A NE2 THR 164.A OG1 no hydrogen 2.855 N/A GLN 171.A NE2 THR 165.A OG1 no hydrogen 3.181 N/A SER 172.A N VAL 147.A O no hydrogen 2.539 N/A SER 172.A OG VAL 147.A O no hydrogen 3.024 N/A SER 172.A OG THR 200.A OG1 no hydrogen 2.955 N/A THR 173.A OG1 ILE 127.A O no hydrogen 3.055 N/A CYS 174.A N ILE 127.A O no hydrogen 2.812 N/A VAL 175.A N ILE 149.A O no hydrogen 2.914 N/A GLY 176.A N GLY 125.A O no hydrogen 2.929 N/A ILE 177.A N SER 151.A O no hydrogen 2.918 N/A GLY 179.A N ASN 122.A O no hydrogen 3.435 N/A GLY 184.A N GLY 120.A O no hydrogen 2.936 N/A SER 185.A OG MET 118.A O no hydrogen 2.474 N/A ILE 190.A N ASN 186.A O no hydrogen 3.304 N/A ILE 190.A N PHE 187.A O no hydrogen 2.802 N/A LEU 191.A N PHE 187.A O no hydrogen 2.667 N/A GLU 192.A N ILE 188.A O no hydrogen 3.211 N/A PHE 194.A N LEU 191.A O no hydrogen 3.345 N/A GLU 195.A N LEU 191.A O no hydrogen 3.382 N/A LYS 196.A N GLU 192.A O no hydrogen 3.411 N/A ASP 197.A N PHE 194.A O no hydrogen 2.350 N/A GLN 199.A NE2 GLY 145.A O no hydrogen 3.436 N/A THR 200.A OG1 SER 172.A OG no hydrogen 2.955 N/A THR 200.A OG1 ASP 197.A OD2 no hydrogen 2.796 N/A GLU 201.A N LYS 146.A O no hydrogen 2.878 N/A ILE 203.A N PRO 228.A O no hydrogen 2.808 N/A VAL 204.A N GLY 148.A O no hydrogen 2.786 N/A MET 205.A N VAL 230.A O no hydrogen 2.893 N/A ILE 206.A N VAL 150.A O no hydrogen 2.796 N/A GLY 207.A N TYR 232.A O no hydrogen 2.880 N/A ILE 209.A N ALA 234.A O no hydrogen 3.297 N/A GLY 210.A N GLY 256.A O no hydrogen 2.992 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 3.380 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.696 N/A GLU 216.A N SER 212.A O no hydrogen 3.113 N/A ALA 217.A N ALA 213.A O no hydrogen 3.141 N/A ALA 218.A N GLU 214.A O no hydrogen 3.025 N/A ALA 219.A N GLU 215.A O no hydrogen 3.186 N/A TYR 220.A N GLU 216.A O no hydrogen 3.025 N/A TYR 220.A OH GLU 192.A OE1 no hydrogen 2.816 N/A ILE 221.A N ALA 218.A O no hydrogen 2.406 N/A LYS 222.A N ALA 218.A O no hydrogen 3.253 N/A GLU 223.A N ALA 219.A O no hydrogen 3.513 N/A HIS 224.A N TYR 220.A O no hydrogen 3.057 N/A HIS 224.A N ILE 221.A O no hydrogen 3.215 N/A VAL 225.A N ILE 221.A O no hydrogen 2.920 N/A THR 226.A N GLU 195.A OE1 no hydrogen 2.723 N/A THR 226.A OG1 GLU 195.A OE2 no hydrogen 2.872 N/A LYS 227.A N GLU 195.A OE1 no hydrogen 3.508 N/A LYS 227.A NZ ASP 197.A O no hydrogen 2.318 N/A LYS 227.A NZ THR 200.A O no hydrogen 2.544 N/A VAL 230.A N ILE 203.A O no hydrogen 2.755 N/A GLY 231.A N LYS 271.A O no hydrogen 3.152 N/A TYR 232.A N MET 205.A O no hydrogen 3.068 N/A ALA 234.A N GLY 207.A O no hydrogen 3.247 N/A GLY 241.A N ILE 251.A O no hydrogen 2.978 N/A MET 244.A N ALA 249.A O no hydrogen 3.212 N/A HIS 246.A N MET 244.A O no hydrogen 2.682 N/A HIS 246.A ND1 GLU 208.A OE2 no hydrogen 2.602 N/A GLY 248.A N GLY 179.A O no hydrogen 3.213 N/A ALA 249.A N HIS 246.A O no hydrogen 2.915 N/A LYS 255.A N ALA 252.A O no hydrogen 3.464 N/A THR 257.A OG1 GLU 260.A OE2 no hydrogen 3.200 N/A LYS 261.A NZ GLY 211.A O no hydrogen 3.089 N/A LYS 261.A NZ GLU 214.A OE1 no hydrogen 2.679 N/A LYS 261.A NZ GLU 215.A OE1 no hydrogen 2.913 N/A PHE 262.A N ALA 258.A O no hydrogen 3.240 N/A ALA 263.A N ASP 259.A O no hydrogen 2.822 N/A ALA 264.A N GLU 260.A O no hydrogen 2.750 N/A LEU 265.A N PHE 262.A O no hydrogen 2.744 N/A GLU 266.A N ALA 263.A O no hydrogen 2.665 N/A ALA 267.A N ALA 263.A O no hydrogen 3.213 N/A GLY 269.A N GLU 266.A O no hydrogen 2.511 N/A LYS 271.A N VAL 229.A O no hydrogen 2.996 N/A THR 272.A OG1 GLU 266.A OE2 no hydrogen 3.545 N/A VAL 273.A N GLY 231.A O no hydrogen 3.235 N/A ALA 277.A N SER 275.A OG no hydrogen 3.329 N/A ASP 278.A N SER 275.A O no hydrogen 2.949 N/A GLY 280.A N GLN 163.A OE1 no hydrogen 2.943 N/A ALA 282.A N ASP 278.A O no hydrogen 3.200 N/A LEU 283.A N ILE 279.A O no hydrogen 3.235 N/A LEU 283.A N GLY 280.A O no hydrogen 2.756 N/A LYS 284.A N GLY 280.A O no hydrogen 3.155 N/A THR 285.A N ALA 282.A O no hydrogen 3.299 N/A