Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 5.A OE2 no hydrogen 2.633 N/A GLU 5.A N THR 2.A OG1 no hydrogen 3.270 N/A VAL 6.A N THR 2.A O no hydrogen 2.885 N/A THR 7.A N PRO 3.A O no hydrogen 3.008 N/A THR 7.A OG1 PRO 3.A O no hydrogen 3.213 N/A LEU 8.A N ARG 4.A O no hydrogen 2.968 N/A HIS 9.A N GLU 5.A O no hydrogen 2.829 N/A PHE 10.A N VAL 6.A O no hydrogen 2.951 N/A LEU 11.A N THR 7.A O no hydrogen 3.047 N/A ARG 12.A N LEU 8.A O no hydrogen 3.037 N/A THR 13.A N PHE 10.A O no hydrogen 3.101 N/A THR 13.A OG1 HIS 9.A O no hydrogen 2.661 N/A ALA 14.A N PHE 10.A O no hydrogen 2.886 N/A HIS 16.A N ASP 246.A OD1 no hydrogen 2.729 N/A HIS 16.A ND1 GLU 36.A OE1 no hydrogen 2.697 N/A LEU 18.A N VAL 245.A O no hydrogen 2.818 N/A ARG 20.A N GLY 243.A O no hydrogen 2.958 N/A ARG 20.A NE GLN 24.A OE1 no hydrogen 2.923 N/A ALA 22.A N THR 19.A OG1 no hydrogen 3.039 N/A LEU 23.A N THR 19.A O no hydrogen 2.962 N/A GLN 24.A N ARG 20.A O no hydrogen 2.943 N/A ARG 25.A N TRP 21.A O no hydrogen 2.742 N/A GLN 26.A N ALA 22.A O no hydrogen 2.942 N/A SER 29.A N GLN 32.A OE1 no hydrogen 2.853 N/A GLN 32.A N SER 29.A OG no hydrogen 2.968 N/A LEU 33.A N SER 29.A O no hydrogen 2.878 N/A GLU 34.A N PRO 30.A O no hydrogen 2.953 N/A GLU 35.A N LYS 31.A O no hydrogen 3.005 N/A GLU 36.A N GLN 32.A O no hydrogen 2.984 N/A PHE 37.A N LEU 33.A O no hydrogen 2.844 N/A LEU 38.A N GLU 34.A O no hydrogen 2.950 N/A LYS 39.A N GLU 35.A O no hydrogen 3.316 N/A LYS 39.A N GLU 36.A O no hydrogen 3.300 N/A ILE 40.A N PHE 37.A O no hydrogen 3.083 N/A ASN 43.A ND2 ARG 255.A O no hydrogen 2.778 N/A PHE 44.A N SER 42.A OG.B no hydrogen 3.182 N/A SER 46.A N ASP 49.A OD2 no hydrogen 3.008 N/A SER 46.A OG GLU 48.A OE1 no hydrogen 3.115 N/A ASP 49.A N SER 46.A O no hydrogen 2.848 N/A ASP 49.A N SER 46.A OG no hydrogen 3.183 N/A LEU 50.A N PRO 47.A O no hydrogen 3.271 N/A HIS 55.A N ILE 52.A O no hydrogen 3.109 N/A HIS 55.A ND1 ASP 59.A OD2 no hydrogen 2.743 N/A SER 57.A OG GLY 54.A O no hydrogen 3.283 N/A LYS 58.A N HIS 55.A O no hydrogen 2.867 N/A LYS 58.A NZ ASN 107.A O no hydrogen 3.422 N/A LYS 58.A NZ ASP 111.A OD2 no hydrogen 2.592 N/A ASP 59.A N ALA 56.A O no hydrogen 3.210 N/A ARG 60.A N GLN 102.A OE1 no hydrogen 2.967 N/A ARG 60.A NH1 GLY 103.A O no hydrogen 3.206 N/A ARG 60.A NH1 PRO 104.A O no hydrogen 3.145 N/A ARG 60.A NH2 GLY 103.A O no hydrogen 2.413 N/A ARG 60.A NH2 SER 220.A O no hydrogen 3.101 N/A TYR 61.A OH SER 220.A OG.B no hydrogen 2.392 N/A ILE 64.A N TYR 61.A O no hydrogen 3.222 N/A ASN 67.A ND2 ASN 43.A O no hydrogen 3.023 N/A SER 70.A N ASN 67.A O no hydrogen 3.286 N/A SER 70.A OG ASP 257.A O no hydrogen 2.570 N/A ARG 71.A N PRO 68.A O no hydrogen 3.354 N/A ARG 71.A NH1 ASP 81.A OD1 no hydrogen 2.898 N/A ARG 71.A NH2 ASP 81.A OD1 no hydrogen 3.178 N/A ARG 71.A NH2 ASP 81.A OD2 no hydrogen 3.168 N/A VAL 72.A N ALA 85.A O no hydrogen 3.128 N/A CYS 73.A SG ARG 71.A O no hydrogen 4.009 N/A CYS 73.A SG ASP 81.A OD2 no hydrogen 3.749 N/A LEU 74.A N ASP 81.A O no hydrogen 2.738 N/A GLY 75.A N GLN 118.A OE1 no hydrogen 2.719 N/A GLN 78.A NE2 SER 110.A O no hydrogen 2.684 N/A TYR 82.A OH ASP 59.A OD1 no hydrogen 2.425 N/A ASN 84.A ND2 ASP 59.A OD1 no hydrogen 2.856 N/A ASN 84.A ND2 ILE 64.A O no hydrogen 2.865 N/A ASN 86.A N ALA 100.A O no hydrogen 2.961 N/A ASN 86.A ND2 ASN 67.A O no hydrogen 2.917 N/A ASN 86.A ND2 SER 70.A OG no hydrogen 3.032 N/A TYR 87.A N SER 70.A O no hydrogen 2.862 N/A TYR 87.A OH GLU 119.A OE2 no hydrogen 2.609 N/A ILE 88.A N TYR 98.A O no hydrogen 2.742 N/A ARG 89.A N ASP 257.A OD2 no hydrogen 2.821 N/A ARG 89.A NE ASP 257.A OD1 no hydrogen 2.946 N/A ARG 89.A NE ASP 257.A OD2 no hydrogen 3.396 N/A ARG 89.A NH2 GLN 253.A O no hydrogen 3.421 N/A ARG 89.A NH2 ASP 257.A OD1 no hydrogen 3.427 N/A GLY 90.A N LYS 94.A O no hydrogen 2.818 N/A GLY 93.A N GLY 90.A O no hydrogen 3.017 N/A LYS 94.A N TYR 91.A O no hydrogen 3.131 N/A TYR 98.A N ILE 88.A O no hydrogen 3.131 N/A ILE 99.A N ILE 215.A O no hydrogen 2.840 N/A ALA 100.A N ASN 86.A O no hydrogen 2.961 N/A THR 101.A N VAL 217.A O no hydrogen 3.129 N/A THR 101.A OG1 ASN 84.A O no hydrogen 2.594 N/A THR 101.A OG1 GLN 102.A O no hydrogen 3.539 N/A GLN 102.A NE2 LYS 58.A O no hydrogen 2.997 N/A GLY 103.A N SER 219.A O no hydrogen 2.837 N/A MET 105.A N THR 108.A OG1 no hydrogen 2.914 N/A ASN 107.A ND2 SER 57.A O no hydrogen 2.886 N/A THR 108.A N MET 105.A O no hydrogen 2.745 N/A THR 108.A OG1 MET 105.A O no hydrogen 3.327 N/A PHE 112.A N THR 108.A O no hydrogen 2.879 N/A TRP 113.A N VAL 109.A O no hydrogen 3.051 N/A TRP 113.A NE1 TYR 135.A O no hydrogen 2.796 N/A GLU 114.A N SER 110.A O no hydrogen 2.857 N/A MET 115.A N ASP 111.A O no hydrogen 2.978 N/A VAL 116.A N PHE 112.A O no hydrogen 3.049 N/A TRP 117.A N TRP 113.A O no hydrogen 2.874 N/A GLN 118.A N GLU 114.A O no hydrogen 2.802 N/A GLN 118.A NE2 CYS 73.A O no hydrogen 2.905 N/A GLN 118.A NE2 GLU 119.A OE2 no hydrogen 2.851 N/A GLU 119.A N MET 115.A O no hydrogen 2.898 N/A GLU 120.A N TRP 117.A O no hydrogen 3.165 N/A VAL 121.A N VAL 116.A O no hydrogen 2.960 N/A SER 122.A OG GLU 207.A OE1 no hydrogen 3.076 N/A ILE 124.A N LYS 176.A O no hydrogen 2.893 N/A VAL 125.A N VAL 216.A O no hydrogen 2.745 N/A MET 126.A N ILE 178.A O no hydrogen 2.831 N/A LEU 127.A N HIS 218.A O no hydrogen 2.926 N/A THR 128.A N PHE 180.A O no hydrogen 2.973 N/A GLN 129.A NE2 ASP 185.A OD2 no hydrogen 3.474 N/A LEU 130.A N SER 181.A OG no hydrogen 2.555 N/A ARG 131.A N GLN 129.A O no hydrogen 2.815 N/A TYR 135.A OH HIS 218.A NE2 no hydrogen 2.795 N/A GLU 141.A N ILE 148.A O no hydrogen 2.982 N/A TYR 143.A N PHE 146.A O no hydrogen 2.801 N/A PHE 146.A N TYR 143.A O no hydrogen 2.968 N/A GLN 147.A N GLN 167.A O no hydrogen 2.958 N/A ILE 148.A N GLU 141.A O no hydrogen 2.877 N/A ARG 149.A N THR 165.A O no hydrogen 3.077 N/A ILE 150.A N GLU 139.A O no hydrogen 2.953 N/A GLN 151.A N GLN 163.A O no hydrogen 2.613 N/A ASP 152.A N GLN 163.A O no hydrogen 3.225 N/A LYS 154.A N VAL 161.A O no hydrogen 2.772 N/A CYS 156.A N TYR 159.A O no hydrogen 3.016 N/A CYS 156.A SG.A TYR 159.A O no hydrogen 3.864 N/A CYS 156.A SG.B GLU 158.A OE2 no hydrogen 3.282 N/A CYS 156.A SG.B TYR 159.A O no hydrogen 3.338 N/A TYR 159.A N CYS 156.A O no hydrogen 3.310 N/A TYR 159.A OH GLU 201.A OE1 no hydrogen 2.681 N/A THR 160.A N LEU 179.A O no hydrogen 3.008 N/A THR 160.A OG1 GLU 155.A OE1 no hydrogen 2.551 N/A THR 160.A OG1 GLU 155.A OE2 no hydrogen 3.090 N/A VAL 161.A N LYS 154.A O no hydrogen 2.854 N/A ARG 162.A N HIS 177.A O no hydrogen 2.786 N/A GLN 163.A N ASP 152.A O no hydrogen 2.708 N/A LEU 164.A N VAL 175.A O no hydrogen 2.814 N/A THR 165.A N ARG 149.A O no hydrogen 2.966 N/A THR 165.A OG1 ARG 149.A O no hydrogen 3.530 N/A ILE 166.A N ARG 173.A O no hydrogen 2.815 N/A GLN 167.A N GLN 147.A O no hydrogen 2.742 N/A TYR 168.A N GLU 171.A O no hydrogen 2.972 N/A GLU 171.A N TYR 168.A O no hydrogen 3.019 N/A ARG 173.A N ILE 166.A O no hydrogen 2.768 N/A ARG 173.A NE GLU 171.A OE1 no hydrogen 3.129 N/A ARG 173.A NH1 TRP 117.A O no hydrogen 2.555 N/A ARG 173.A NH2 GLU 171.A OE1 no hydrogen 3.512 N/A VAL 175.A N LEU 164.A O no hydrogen 2.825 N/A LYS 176.A N SER 122.A O no hydrogen 2.871 N/A LYS 176.A NZ GLU 201.A OE2 no hydrogen 2.743 N/A LYS 176.A NZ SER 205.A OG no hydrogen 2.784 N/A HIS 177.A N ARG 162.A O no hydrogen 2.854 N/A HIS 177.A NE2 TYR 135.A OH no hydrogen 2.722 N/A ILE 178.A N ILE 124.A O no hydrogen 2.876 N/A LEU 179.A N THR 160.A O no hydrogen 2.839 N/A PHE 180.A N MET 126.A O no hydrogen 2.817 N/A ALA 182.A N SER 181.A OG no hydrogen 2.631 N/A TRP 183.A N THR 128.A O no hydrogen 2.940 N/A TRP 183.A NE1 GLN 187.A O no hydrogen 2.868 N/A HIS 186.A ND1 ASP 185.A OD1 no hydrogen 2.604 N/A GLN 187.A N PRO 184.A O no hydrogen 3.107 N/A THR 188.A OG1 PRO 189.A O no hydrogen 3.090 N/A LEU 196.A N ALA 192.A O no hydrogen 3.128 N/A ARG 197.A N GLY 193.A O no hydrogen 3.061 N/A LEU 198.A N PRO 194.A O no hydrogen 2.878 N/A VAL 199.A N LEU 195.A O no hydrogen 2.929 N/A ALA 200.A N LEU 196.A O no hydrogen 2.911 N/A GLU 201.A N ARG 197.A O no hydrogen 2.854 N/A VAL 202.A N LEU 198.A O no hydrogen 2.951 N/A GLU 203.A N VAL 199.A O no hydrogen 2.812 N/A GLU 204.A N ALA 200.A O no hydrogen 2.815 N/A SER 205.A N VAL 202.A O no hydrogen 3.082 N/A SER 205.A OG GLU 201.A O no hydrogen 2.818 N/A SER 205.A OG VAL 202.A O no hydrogen 3.568 N/A ALA 209.A N GLU 207.A OE2 no hydrogen 3.059 N/A HIS 211.A ND1 GLU 120.A OE1 no hydrogen 2.837 N/A ILE 215.A N VAL 97.A O no hydrogen 2.882 N/A VAL 216.A N LEU 123.A O no hydrogen 3.057 N/A VAL 217.A N ILE 99.A O no hydrogen 2.822 N/A HIS 218.A N VAL 125.A O no hydrogen 2.943 N/A HIS 218.A NE2 TYR 135.A OH no hydrogen 2.795 N/A SER 219.A OG THR 226.A OG1 no hydrogen 3.237 N/A GLY 222.A N SER 219.A OG no hydrogen 3.225 N/A ARG 225.A NH1 TRP 183.A O no hydrogen 2.886 N/A ARG 225.A NH2 SER 220.A OG.A no hydrogen 2.750 N/A THR 226.A OG1 SER 219.A OG no hydrogen 3.237 N/A GLY 227.A N ILE 223.A O no hydrogen 3.061 N/A CYS 228.A N GLY 224.A O no hydrogen 2.916 N/A CYS 228.A SG GLY 224.A O no hydrogen 3.370 N/A PHE 229.A N ARG 225.A O no hydrogen 2.900 N/A ILE 230.A N THR 226.A O no hydrogen 3.164 N/A ALA 231.A N GLY 227.A O no hydrogen 2.924 N/A THR 232.A N CYS 228.A O no hydrogen 2.959 N/A THR 232.A OG1 CYS 228.A O no hydrogen 2.689 N/A ARG 233.A N PHE 229.A O no hydrogen 2.955 N/A ARG 233.A NE GLU 203.A OE1 no hydrogen 2.898 N/A ARG 233.A NH1 TYR 98.A OH no hydrogen 2.848 N/A ARG 233.A NH2 GLU 203.A OE1 no hydrogen 3.506 N/A ARG 233.A NH2 GLU 203.A OE2 no hydrogen 3.119 N/A ILE 234.A N ILE 230.A O no hydrogen 2.927 N/A GLY 235.A N ALA 231.A O no hydrogen 2.858 N/A CYS 236.A N THR 232.A O no hydrogen 2.893 N/A CYS 236.A SG THR 232.A O no hydrogen 3.338 N/A GLN 237.A N ARG 233.A O no hydrogen 3.041 N/A GLN 238.A N ILE 234.A O no hydrogen 2.952 N/A LEU 239.A N GLY 235.A O no hydrogen 2.955 N/A LYS 240.A N CYS 236.A O no hydrogen 2.855 N/A ALA 241.A N GLN 237.A O no hydrogen 2.939 N/A ARG 242.A N GLN 238.A O no hydrogen 2.845 N/A ARG 242.A NH1 ASP 92.A OD1 no hydrogen 2.840 N/A GLY 243.A N LEU 239.A O no hydrogen 3.008 N/A VAL 245.A N LEU 18.A O no hydrogen 2.927 N/A ASP 246.A N GLN 238.A OE1 no hydrogen 2.901 N/A GLY 249.A N ASP 246.A OD1 no hydrogen 2.913 N/A ILE 250.A N ASP 246.A O no hydrogen 3.019 N/A VAL 251.A N ILE 247.A O no hydrogen 3.007 N/A CYS 252.A N LEU 248.A O no hydrogen 2.931 N/A CYS 252.A SG LEU 248.A O no hydrogen 3.377 N/A GLN 253.A N GLY 249.A O no hydrogen 2.944 N/A GLN 253.A NE2 GLY 90.A O no hydrogen 3.082 N/A LEU 254.A N ILE 250.A O no hydrogen 2.971 N/A ARG 255.A N VAL 251.A O no hydrogen 3.000 N/A ARG 255.A NE MET 261.A O no hydrogen 2.868 N/A ARG 255.A NH1 ILE 40.A O no hydrogen 3.161 N/A ARG 255.A NH1 PRO 41.A O no hydrogen 3.031 N/A ARG 255.A NH2 MET 261.A O no hydrogen 3.388 N/A ARG 255.A NH2 ILE 262.A O no hydrogen 2.734 N/A LEU 256.A N CYS 252.A O no hydrogen 3.138 N/A ASP 257.A N LEU 254.A O no hydrogen 2.998 N/A ARG 258.A N LEU 254.A O no hydrogen 2.894 N/A ARG 258.A NE GLY 222.A O no hydrogen 2.950 N/A ARG 258.A NH1 ASN 84.A OD1 no hydrogen 2.971 N/A ARG 258.A NH1 ASN 86.A OD1 no hydrogen 2.830 N/A ARG 258.A NH2 ASN 84.A OD1 no hydrogen 2.943 N/A ARG 258.A NH2 ALA 221.A O no hydrogen 2.977 N/A GLY 259.A N ASN 67.A OD1 no hydrogen 2.874 N/A GLY 260.A N SER 42.A O no hydrogen 2.777 N/A ILE 262.A N ILE 223.A O no hydrogen 2.860 N/A GLN 263.A N GLN 267.A OE1 no hydrogen 2.816 N/A THR 264.A N GLN 267.A OE1 no hydrogen 3.262 N/A GLN 267.A N THR 264.A OG1 no hydrogen 2.967 N/A GLN 267.A NE2 GLN 187.A O no hydrogen 3.033 N/A TYR 268.A N THR 264.A O no hydrogen 3.032 N/A TYR 268.A OH GLU 36.A OE2 no hydrogen 2.556 N/A GLN 269.A N ALA 265.A O no hydrogen 2.859 N/A GLN 269.A NE2 PRO 30.A O no hydrogen 2.873 N/A PHE 270.A N GLU 266.A O no hydrogen 2.830 N/A LEU 271.A N GLN 267.A O no hydrogen 2.913 N/A HIS 272.A N TYR 268.A O no hydrogen 3.390 N/A HIS 272.A ND1 TYR 268.A O no hydrogen 2.840 N/A HIS 273.A N GLN 269.A O no hydrogen 3.189 N/A THR 274.A N PHE 270.A O no hydrogen 2.838 N/A THR 274.A OG1 PHE 270.A O no hydrogen 2.893 N/A LEU 275.A N LEU 271.A O no hydrogen 2.969 N/A ALA 276.A N HIS 272.A O no hydrogen 2.884 N/A LEU 277.A N HIS 273.A O no hydrogen 2.944 N/A TYR 278.A N THR 274.A O no hydrogen 2.953 N/A ALA 279.A N LEU 275.A O no hydrogen 2.944 N/A GLY 280.A N ALA 276.A O no hydrogen 3.057 N/A GLN 281.A N LEU 277.A O no hydrogen 2.943 N/A GLN 281.A N TYR 278.A O no hydrogen 3.020 N/A LEU 282.A N ALA 279.A O no hydrogen 3.234 N/A