Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N HIS 1.A O no hydrogen 3.298 N/A GLU 6.A N TYR 2.A O no hydrogen 3.025 N/A GLU 7.A N GLY 3.A O no hydrogen 2.923 N/A MET 8.A N.A ILE 4.A O no hydrogen 3.060 N/A MET 8.A N.B ILE 4.A O no hydrogen 3.035 N/A LEU 9.A N HIS 5.A O no hydrogen 2.987 N/A LYS 10.A N GLU 6.A O no hydrogen 2.960 N/A LYS 10.A NZ GLU 6.A OE1 no hydrogen 2.672 N/A ASP 11.A N MET 8.A O.A no hydrogen 3.268 N/A ASP 11.A N MET 8.A O.B no hydrogen 3.073 N/A ARG 14.A N ASP 11.A OD2 no hydrogen 3.154 N/A ARG 14.A NE GLU 104.A OE2 no hydrogen 2.693 N/A ARG 14.A NH1 GLU 104.A OE2 no hydrogen 3.188 N/A ARG 14.A NH2 THR 15.A OG1 no hydrogen 3.175 N/A THR 15.A N ASP 11.A O no hydrogen 2.891 N/A THR 15.A OG1 MET 8.A O.B no hydrogen 3.171 N/A THR 15.A OG1 LEU 9.A O no hydrogen 3.382 N/A THR 15.A OG1 ASP 11.A O no hydrogen 3.196 N/A GLU 16.A N LYS 12.A O no hydrogen 2.711 N/A SER 17.A N ILE 13.A O no hydrogen 3.140 N/A SER 17.A OG ILE 13.A O no hydrogen 2.547 N/A TYR 18.A N ARG 14.A O no hydrogen 3.409 N/A TYR 18.A OH SER 103.A O no hydrogen 2.700 N/A ARG 19.A N THR 15.A O no hydrogen 2.993 N/A ARG 19.A NE ASP 20.A OD2 no hydrogen 3.219 N/A ARG 19.A NH2 ASP 20.A OD2 no hydrogen 2.901 N/A ASP 20.A N GLU 16.A O no hydrogen 2.756 N/A PHE 21.A N SER 17.A O no hydrogen 2.923 N/A ILE 22.A N TYR 18.A O no hydrogen 3.002 N/A TYR 23.A N ARG 19.A O no hydrogen 2.848 N/A GLN 24.A N ASP 20.A O no hydrogen 2.826 N/A ASN 25.A N ILE 22.A O no hydrogen 3.343 N/A ASN 25.A ND2 PHE 21.A O no hydrogen 2.907 N/A ASN 25.A ND2 ASN 240.A O no hydrogen 2.824 N/A HIS 27.A NE2 ASN 237.A O no hydrogen 2.687 N/A ILE 28.A N ASN 25.A O no hydrogen 3.008 N/A PHE 29.A N PRO 26.A O no hydrogen 2.957 N/A LYS 30.A N PRO 26.A O no hydrogen 2.819 N/A ASP 31.A N GLY 52.A O no hydrogen 2.882 N/A LYS 32.A N PHE 29.A O no hydrogen 2.950 N/A VAL 33.A N ASP 99.A OD2 no hydrogen 2.808 N/A VAL 34.A N LYS 55.A O no hydrogen 2.828 N/A LEU 35.A N VAL 100.A O no hydrogen 2.821 N/A ASP 36.A N LEU 57.A O no hydrogen 2.729 N/A VAL 37.A N ILE 102.A O no hydrogen 3.087 N/A CYS 39.A N VAL 59.A O no hydrogen 2.958 N/A CYS 39.A SG GLY 40.A O no hydrogen 3.871 N/A GLY 40.A N ASP 60.A OD2 no hydrogen 2.842 N/A GLY 42.A N CYS 39.A O no hydrogen 2.873 N/A SER 45.A OG ASP 36.A OD1 no hydrogen 2.873 N/A MET 46.A N GLY 42.A O no hydrogen 2.955 N/A PHE 47.A N ILE 43.A O no hydrogen 2.969 N/A ALA 48.A N LEU 44.A O no hydrogen 3.009 N/A ALA 49.A N SER 45.A O no hydrogen 2.947 N/A LYS 50.A N MET 46.A O no hydrogen 2.960 N/A ALA 51.A N PHE 47.A O no hydrogen 2.922 N/A GLY 52.A N ALA 49.A O no hydrogen 3.031 N/A ALA 53.A N ALA 48.A O no hydrogen 3.041 N/A LYS 54.A N LYS 32.A O no hydrogen 2.938 N/A LYS 55.A N LYS 32.A O no hydrogen 3.300 N/A LYS 55.A NZ ASP 79.A O no hydrogen 2.965 N/A VAL 56.A N THR 80.A O no hydrogen 2.891 N/A LEU 57.A N VAL 34.A O no hydrogen 2.741 N/A GLY 58.A N THR 82.A O no hydrogen 2.940 N/A VAL 59.A N ASP 36.A O no hydrogen 3.057 N/A ASP 60.A N ILE 84.A O no hydrogen 3.281 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.880 N/A ILE 64.A N SER 62.A OG no hydrogen 3.067 N/A LEU 65.A N SER 62.A O no hydrogen 3.035 N/A TYR 66.A N GLU 63.A O no hydrogen 2.987 N/A ALA 68.A N ILE 64.A O no hydrogen 2.943 N/A MET 69.A N LEU 65.A O no hydrogen 3.034 N/A ASP 70.A N TYR 66.A O no hydrogen 3.388 N/A ILE 71.A N GLN 67.A O no hydrogen 2.774 N/A ILE 72.A N ALA 68.A O no hydrogen 2.745 N/A ARG 73.A N MET 69.A O no hydrogen 3.178 N/A LEU 74.A N ASP 70.A O no hydrogen 2.912 N/A ASN 75.A N ILE 71.A O no hydrogen 3.060 N/A ASN 75.A ND2 ILE 71.A O no hydrogen 2.912 N/A LYS 76.A N ARG 73.A O no hydrogen 3.050 N/A LEU 77.A N ILE 72.A O no hydrogen 3.027 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.707 N/A THR 80.A N LEU 77.A O no hydrogen 2.939 N/A ILE 81.A N LEU 77.A O no hydrogen 2.750 N/A THR 82.A N VAL 56.A O no hydrogen 2.914 N/A ILE 84.A N GLY 58.A O no hydrogen 2.903 N/A LYS 85.A NZ GLN 61.A O no hydrogen 3.015 N/A GLY 86.A N ASP 60.A O no hydrogen 2.945 N/A GLU 90.A N LYS 87.A O no hydrogen 2.864 N/A VAL 91.A N LYS 87.A O no hydrogen 3.041 N/A LYS 97.A NZ LYS 125.A O no hydrogen 2.880 N/A VAL 98.A N TYR 126.A O no hydrogen 2.791 N/A ASP 99.A N VAL 33.A O no hydrogen 2.812 N/A VAL 100.A N VAL 33.A O no hydrogen 3.174 N/A ILE 101.A N SER 132.A O no hydrogen 2.921 N/A ILE 102.A N LEU 35.A O no hydrogen 2.945 N/A SER 103.A N TYR 134.A O no hydrogen 3.339 N/A SER 103.A OG VAL 37.A O no hydrogen 2.797 N/A MET 106.A N GLU 104.A OE1 no hydrogen 3.049 N/A GLY 107.A N LEU 110.A O no hydrogen 2.835 N/A LEU 111.A N PHE 109.A O no hydrogen 2.736 N/A PHE 112.A N.A TYR 108.A O no hydrogen 3.064 N/A PHE 112.A N.B TYR 108.A O no hydrogen 3.056 N/A MET 115.A N TRP 105.A O no hydrogen 2.928 N/A LEU 116.A N SER 114.A OG no hydrogen 3.129 N/A SER 118.A N MET 115.A O no hydrogen 2.933 N/A VAL 119.A N MET 115.A O no hydrogen 3.125 N/A LEU 120.A N LEU 116.A O no hydrogen 2.860 N/A TYR 121.A N ASP 117.A O no hydrogen 3.007 N/A ALA 122.A N SER 118.A O no hydrogen 2.917 N/A LYS 123.A N VAL 119.A O no hydrogen 2.831 N/A LYS 123.A NZ ASN 124.A OD1 no hydrogen 3.045 N/A LYS 123.A NZ HIS 200.A O no hydrogen 3.511 N/A ASN 124.A N LEU 120.A O no hydrogen 2.882 N/A LYS 125.A N TYR 121.A O no hydrogen 2.829 N/A TYR 126.A N ALA 122.A O no hydrogen 2.762 N/A LEU 127.A N LYS 123.A O no hydrogen 3.295 N/A ALA 128.A N VAL 98.A O no hydrogen 2.773 N/A GLY 131.A N ALA 128.A O no hydrogen 2.817 N/A SER 132.A N ASP 99.A O no hydrogen 3.099 N/A VAL 133.A N HIS 200.A NE2 no hydrogen 3.090 N/A TYR 134.A N ILE 101.A O no hydrogen 2.818 N/A TYR 134.A OH LYS 236.A O no hydrogen 2.686 N/A ASP 136.A N ASP 136.A OD2 no hydrogen 2.643 N/A ILE 137.A N TYR 233.A O no hydrogen 3.444 N/A CYS 138.A N ILE 197.A O no hydrogen 2.910 N/A THR 139.A N ASP 231.A O no hydrogen 3.029 N/A ILE 140.A N LYS 195.A O no hydrogen 2.932 N/A SER 141.A N TYR 229.A O no hydrogen 2.879 N/A LEU 142.A N CYS 192.A O no hydrogen 2.854 N/A VAL 143.A N ALA 227.A O no hydrogen 2.834 N/A ALA 144.A N SER 189.A OG no hydrogen 3.113 N/A VAL 145.A N ALA 225.A O no hydrogen 2.896 N/A SER 146.A N THR 186.A O no hydrogen 2.845 N/A SER 146.A OG MET 222.A O no hydrogen 2.639 N/A ASP 147.A N THR 224.A OG1 no hydrogen 2.917 N/A LYS 150.A N ASP 147.A OD1 no hydrogen 3.116 N/A HIS 151.A N ASP 147.A O no hydrogen 2.890 N/A HIS 151.A NE2 LEU 262.A O no hydrogen 2.686 N/A ALA 152.A N VAL 148.A O no hydrogen 2.917 N/A ASP 153.A N ASN 149.A O no hydrogen 3.001 N/A ARG 154.A N LYS 150.A O no hydrogen 3.076 N/A ARG 154.A N HIS 151.A O no hydrogen 3.047 N/A ILE 155.A N HIS 151.A O no hydrogen 2.789 N/A PHE 157.A N ALA 152.A O no hydrogen 2.934 N/A TRP 158.A N ILE 155.A O no hydrogen 3.078 N/A ASP 159.A N ALA 156.A O no hydrogen 2.974 N/A ASP 160.A N PHE 157.A O no hydrogen 3.490 N/A VAL 161.A N PHE 164.A O no hydrogen 2.726 N/A GLY 163.A N ASP 160.A OD1 no hydrogen 2.927 N/A PHE 164.A N VAL 161.A O no hydrogen 3.022 N/A MET 166.A N TRP 158.A O no hydrogen 2.852 N/A SER 167.A OG ASP 159.A OD1 no hydrogen 2.633 N/A MET 169.A N MET 166.A O no hydrogen 2.960 N/A LYS 170.A N SER 167.A O no hydrogen 3.104 N/A LYS 170.A NZ ASP 159.A OD1 no hydrogen 2.948 N/A LYS 170.A NZ ASP 159.A OD2 no hydrogen 2.877 N/A LYS 171.A NZ GLU 263.A OE2 no hydrogen 2.602 N/A ALA 172.A N MET 169.A O no hydrogen 2.936 N/A VAL 173.A N MET 169.A O no hydrogen 3.103 N/A VAL 173.A N LYS 170.A O no hydrogen 3.250 N/A ILE 174.A N LYS 170.A O no hydrogen 3.062 N/A GLU 176.A N VAL 173.A O no hydrogen 3.101 N/A ALA 177.A N GLY 298.A O no hydrogen 2.869 N/A VAL 178.A N VAL 259.A O no hydrogen 2.872 N/A GLU 180.A N GLN 257.A O no hydrogen 2.907 N/A LEU 182.A N GLN 257.A OE1 no hydrogen 2.822 N/A LYS 185.A N ASP 183.A OD1 no hydrogen 3.086 N/A THR 186.A N ASP 183.A O no hydrogen 2.899 N/A THR 186.A OG1 ASP 183.A O no hydrogen 2.680 N/A LEU 187.A N PRO 184.A O no hydrogen 3.328 N/A ILE 188.A N ALA 144.A O no hydrogen 2.914 N/A SER 189.A OG GLU 190.A O.A no hydrogen 2.721 N/A SER 189.A OG GLU 190.A O.B no hydrogen 2.823 N/A GLU 190.A N.A LYS 216.A O no hydrogen 2.890 N/A GLU 190.A N.B LYS 216.A O no hydrogen 2.909 N/A CYS 192.A N LEU 142.A O no hydrogen 2.851 N/A CYS 192.A SG GLY 193.A O no hydrogen 3.578 N/A CYS 192.A SG THR 214.A O no hydrogen 3.484 N/A ILE 194.A N ILE 140.A O no hydrogen 2.803 N/A LYS 195.A NZ ASP 206.A O no hydrogen 2.742 N/A ILE 197.A N CYS 138.A O no hydrogen 2.806 N/A CYS 199.A N ASP 136.A O no hydrogen 2.797 N/A CYS 199.A SG PRO 135.A O no hydrogen 3.526 N/A HIS 200.A N ASP 198.A OD2 no hydrogen 2.923 N/A HIS 200.A ND1 ASP 198.A OD2 no hydrogen 2.900 N/A THR 201.A N ASP 198.A O no hydrogen 2.994 N/A THR 201.A OG1 ASP 198.A O no hydrogen 3.530 N/A THR 202.A N ASP 198.A O no hydrogen 2.858 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.713 N/A SER 203.A N ASP 206.A OD1 no hydrogen 2.938 N/A SER 203.A OG SER 205.A OG no hydrogen 3.179 N/A SER 203.A OG ASP 206.A OD1 no hydrogen 3.181 N/A SER 205.A OG SER 203.A OG no hydrogen 3.179 N/A ASP 206.A N SER 203.A O no hydrogen 3.118 N/A LEU 207.A N ILE 204.A O no hydrogen 3.167 N/A GLU 208.A N SER 205.A O no hydrogen 3.433 N/A PHE 209.A N VAL 280.A O no hydrogen 3.226 N/A SER 210.A OG THR 279.A OG1 no hydrogen 2.619 N/A SER 211.A N VAL 278.A O no hydrogen 2.803 N/A SER 211.A OG ILE 194.A O no hydrogen 3.408 N/A SER 211.A OG ASP 212.A O no hydrogen 3.250 N/A PHE 213.A N GLY 276.A O no hydrogen 2.962 N/A LEU 215.A N LEU 274.A O no hydrogen 2.679 N/A ILE 217.A N GLU 272.A O no hydrogen 2.901 N/A THR 218.A N ILE 188.A O no hydrogen 2.839 N/A ARG 219.A NH1 LYS 185.A O no hydrogen 2.846 N/A ARG 219.A NH2 LYS 185.A O no hydrogen 2.679 N/A SER 221.A N VAL 268.A O no hydrogen 3.013 N/A SER 221.A OG ARG 219.A O no hydrogen 3.008 N/A CYS 223.A N PHE 266.A O no hydrogen 2.837 N/A CYS 223.A SG VAL 145.A O no hydrogen 3.748 N/A CYS 223.A SG ALA 225.A O no hydrogen 3.651 N/A THR 224.A N VAL 145.A O no hydrogen 2.892 N/A THR 224.A OG1 VAL 145.A O no hydrogen 3.534 N/A ALA 225.A N VAL 145.A O no hydrogen 3.451 N/A ILE 226.A N PHE 260.A O no hydrogen 3.000 N/A ALA 227.A N VAL 143.A O no hydrogen 2.792 N/A GLY 228.A N THR 258.A O no hydrogen 2.719 N/A TYR 229.A N SER 141.A O no hydrogen 3.065 N/A PHE 230.A N THR 246.A OG1 no hydrogen 3.042 N/A ASP 231.A N THR 139.A O no hydrogen 2.963 N/A ILE 232.A N PHE 244.A O no hydrogen 2.874 N/A TYR 233.A N ILE 137.A O no hydrogen 2.825 N/A PHE 234.A N VAL 242.A O no hydrogen 2.773 N/A GLU 235.A N.A ASP 136.A OD2 no hydrogen 2.798 N/A GLU 235.A N.B ASP 136.A OD2 no hydrogen 2.804 N/A LYS 236.A N ASP 136.A OD1 no hydrogen 2.863 N/A LYS 236.A NZ GLY 131.A O no hydrogen 3.016 N/A LYS 236.A NZ SER 132.A OG no hydrogen 3.055 N/A CYS 238.A N GLU 235.A O.A no hydrogen 2.985 N/A CYS 238.A N GLU 235.A O.B no hydrogen 3.295 N/A CYS 238.A SG PHE 234.A O no hydrogen 3.723 N/A CYS 238.A SG LYS 236.A O no hydrogen 3.648 N/A ASN 240.A N ASN 25.A OD1 no hydrogen 2.932 N/A ASN 240.A ND2 GLN 24.A O no hydrogen 2.964 N/A VAL 242.A N PHE 234.A O no hydrogen 3.228 N/A PHE 244.A N ILE 232.A O no hydrogen 3.036 N/A SER 245.A OG ASP 231.A OD1 no hydrogen 2.603 N/A THR 246.A N PHE 230.A O no hydrogen 2.931 N/A THR 246.A OG1 PHE 230.A O no hydrogen 2.797 N/A GLY 247.A N SER 245.A OG no hydrogen 3.211 N/A SER 250.A N GLY 247.A O no hydrogen 3.129 N/A HIS 254.A N ASP 11.A OD1 no hydrogen 2.902 N/A HIS 254.A ND1 ASP 11.A OD1 no hydrogen 2.658 N/A TRP 255.A N THR 253.A OG1 no hydrogen 3.151 N/A TRP 255.A NE1 MET 106.A O no hydrogen 2.797 N/A LYS 256.A N THR 253.A O no hydrogen 3.015 N/A GLN 257.A N GLU 180.A O no hydrogen 3.090 N/A GLN 257.A NE2 THR 246.A O no hydrogen 2.911 N/A THR 258.A N GLY 228.A O no hydrogen 2.961 N/A VAL 259.A N VAL 178.A O no hydrogen 2.696 N/A PHE 260.A N ILE 226.A O no hydrogen 2.828 N/A LEU 262.A N THR 224.A O no hydrogen 3.047 N/A PHE 266.A N CYS 223.A O no hydrogen 3.120 N/A VAL 268.A N SER 221.A O no hydrogen 2.759 N/A LYS 269.A N GLU 272.A OE1 no hydrogen 3.130 N/A ALA 270.A N THR 220.A OG1 no hydrogen 2.973 N/A GLY 271.A N ILE 217.A O no hydrogen 2.796 N/A GLU 272.A N LYS 269.A O no hydrogen 2.979 N/A LEU 274.A N LEU 215.A O no hydrogen 2.889 N/A LYS 275.A NZ THR 214.A OG1 no hydrogen 3.145 N/A GLY 276.A N PHE 213.A O no hydrogen 3.048 N/A LYS 277.A N THR 289.A O no hydrogen 2.972 N/A VAL 278.A N SER 211.A O no hydrogen 2.968 N/A THR 279.A N THR 287.A O no hydrogen 2.941 N/A THR 279.A OG1 SER 210.A OG no hydrogen 2.619 N/A VAL 280.A N PHE 209.A O no hydrogen 2.865 N/A HIS 281.A N THR 285.A O no hydrogen 2.971 N/A LYS 282.A N GLU 208.A OE1 no hydrogen 2.800 N/A THR 285.A N HIS 281.A O no hydrogen 2.904 N/A VAL 286.A N TYR 297.A O no hydrogen 2.872 N/A THR 287.A N THR 279.A O no hydrogen 2.803 N/A THR 287.A OG1 THR 296.A OG1 no hydrogen 2.814 N/A LEU 288.A N GLN 295.A O no hydrogen 2.851 N/A THR 289.A N LYS 277.A O no hydrogen 2.806 N/A THR 289.A OG1 THR 294.A OG1 no hydrogen 2.767 N/A LEU 290.A N SER 293.A O no hydrogen 2.970 N/A SER 293.A N LEU 290.A O no hydrogen 3.009 N/A THR 294.A OG1 THR 289.A OG1 no hydrogen 2.767 N/A GLN 295.A N LEU 288.A O no hydrogen 2.952 N/A GLN 295.A NE2 THR 296.A O no hydrogen 2.962 N/A THR 296.A OG1 THR 287.A OG1 no hydrogen 2.814 N/A TYR 297.A N VAL 286.A O no hydrogen 2.730 N/A TYR 297.A OH LEU 261.A O no hydrogen 2.628 N/A GLY 298.A N PRO 175.A O no hydrogen 2.894 N/A