Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fx3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.246 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.906 N/A PHE 4.A N MET 1.A O no hydrogen 3.248 N/A GLN 5.A N ARG 22.A O no hydrogen 2.923 N/A LYS 6.A NZ TYR 77.A OH no hydrogen 3.556 N/A VAL 7.A N LYS 20.A O no hydrogen 2.744 N/A GLU 8.A N LYS 20.A O no hydrogen 3.345 N/A ILE 10.A N VAL 18.A O no hydrogen 2.963 N/A VAL 17.A N LYS 34.A O no hydrogen 2.967 N/A VAL 18.A N GLY 11.A O no hydrogen 3.003 N/A TYR 19.A N LEU 32.A O no hydrogen 2.883 N/A LYS 20.A N GLU 8.A O no hydrogen 2.652 N/A ALA 21.A N VAL 30.A O no hydrogen 2.844 N/A ARG 22.A N GLN 5.A O no hydrogen 3.051 N/A ASN 23.A N GLU 28.A O no hydrogen 2.777 N/A LYS 24.A N ASN 3.A O no hydrogen 2.771 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.697 N/A LYS 24.A NZ PHE 4.A O no hydrogen 3.120 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.016 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.186 N/A GLY 27.A N ASN 23.A O no hydrogen 2.851 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.371 N/A VAL 30.A N ALA 21.A O no hydrogen 2.909 N/A ALA 31.A N PHE 80.A O no hydrogen 2.881 N/A LEU 32.A N TYR 19.A O no hydrogen 2.865 N/A LYS 33.A N LEU 78.A O no hydrogen 2.943 N/A LYS 33.A NZ GLU 51.A OE1 no hydrogen 2.924 N/A LYS 33.A NZ GLU 51.A OE2 no hydrogen 3.107 N/A LYS 34.A N VAL 17.A O no hydrogen 2.751 N/A ILE 35.A N LEU 76.A O no hydrogen 2.788 N/A LEU 37.A N ASN 74.A O no hydrogen 3.358 N/A ASP 38.A N ASN 74.A O no hydrogen 3.127 N/A ILE 49.A N PRO 45.A O no hydrogen 3.103 N/A ARG 50.A N SER 46.A O no hydrogen 2.813 N/A GLU 51.A N THR 47.A O no hydrogen 2.684 N/A ILE 52.A N ALA 48.A O no hydrogen 2.981 N/A SER 53.A N ILE 49.A O no hydrogen 3.059 N/A SER 53.A OG ILE 49.A O no hydrogen 2.760 N/A LEU 54.A N ARG 50.A O no hydrogen 3.282 N/A LEU 55.A N GLU 51.A O no hydrogen 2.884 N/A LYS 56.A N ILE 52.A O no hydrogen 2.897 N/A GLU 57.A N LEU 54.A O no hydrogen 3.057 N/A LEU 58.A N LEU 54.A O no hydrogen 3.192 N/A LEU 58.A N LEU 55.A O no hydrogen 2.998 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 3.038 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 2.896 N/A ASN 62.A ND2 ILE 141.A O no hydrogen 2.764 N/A ILE 63.A N HIS 60.A O no hydrogen 2.971 N/A VAL 64.A N LEU 143.A O no hydrogen 2.985 N/A LYS 65.A N GLU 81.A OE1 no hydrogen 3.031 N/A LEU 67.A N VAL 79.A O no hydrogen 2.606 N/A ASP 68.A N VAL 79.A O no hydrogen 3.000 N/A ILE 70.A N TYR 77.A O no hydrogen 2.973 N/A THR 72.A N LYS 75.A O no hydrogen 3.059 N/A THR 72.A OG1 ASN 74.A OD1 no hydrogen 2.995 N/A THR 72.A OG1 LYS 75.A O no hydrogen 2.693 N/A LYS 75.A N THR 72.A OG1 no hydrogen 3.124 N/A LEU 76.A N ILE 35.A O no hydrogen 2.796 N/A TYR 77.A N ILE 70.A O no hydrogen 3.043 N/A LEU 78.A N LYS 33.A O no hydrogen 2.954 N/A VAL 79.A N ASP 68.A O no hydrogen 2.876 N/A PHE 80.A N ALA 31.A O no hydrogen 2.929 N/A GLU 81.A N LYS 65.A O no hydrogen 3.244 N/A GLN 85.A N ILE 135.A O no hydrogen 3.171 N/A LEU 87.A N LEU 133.A O no hydrogen 2.777 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 2.973 N/A PHE 90.A N ASP 86.A O no hydrogen 3.287 N/A MET 91.A N LEU 87.A O no hydrogen 2.820 N/A ASP 92.A N LYS 88.A O no hydrogen 2.958 N/A ALA 93.A N LYS 89.A O no hydrogen 3.100 N/A SER 94.A N PHE 90.A O no hydrogen 3.050 N/A SER 94.A OG PHE 90.A O no hydrogen 2.777 N/A ALA 95.A N ASP 92.A O no hydrogen 3.176 N/A LEU 103.A N PRO 100.A O no hydrogen 2.824 N/A ILE 104.A N PRO 100.A O no hydrogen 3.262 N/A LYS 105.A N LEU 101.A O no hydrogen 2.895 N/A LYS 105.A NZ PHE 285.A O no hydrogen 2.868 N/A LYS 105.A NZ ASP 288.A OD1 no hydrogen 2.868 N/A LYS 105.A NZ ASP 288.A OD2 no hydrogen 3.439 N/A SER 106.A N PRO 102.A O no hydrogen 3.116 N/A SER 106.A OG THR 290.A O no hydrogen 3.510 N/A TYR 107.A N LEU 103.A O no hydrogen 2.926 N/A LEU 108.A N ILE 104.A O no hydrogen 2.789 N/A PHE 109.A N LYS 105.A O no hydrogen 2.976 N/A GLN 110.A N SER 106.A O no hydrogen 3.042 N/A GLN 110.A NE2 SER 106.A OG no hydrogen 3.301 N/A GLN 110.A NE2 GLY 139.A O no hydrogen 3.385 N/A LEU 111.A N TYR 107.A O no hydrogen 2.959 N/A LEU 112.A N LEU 108.A O no hydrogen 2.812 N/A GLN 113.A N PHE 109.A O no hydrogen 2.907 N/A GLY 114.A N GLN 110.A O no hydrogen 2.966 N/A LEU 115.A N LEU 111.A O no hydrogen 2.897 N/A ALA 116.A N LEU 112.A O no hydrogen 2.963 N/A PHE 117.A N GLN 113.A O no hydrogen 3.372 N/A CYS 118.A N GLY 114.A O no hydrogen 2.888 N/A CYS 118.A SG GLY 114.A O no hydrogen 3.766 N/A HIS 119.A N LEU 115.A O no hydrogen 2.855 N/A HIS 119.A NE2 ASP 185.A OD2 no hydrogen 2.708 N/A SER 120.A N ALA 116.A O no hydrogen 2.944 N/A SER 120.A OG ALA 116.A O no hydrogen 2.771 N/A SER 120.A OG PHE 117.A O no hydrogen 3.203 N/A SER 120.A OG HIS 121.A ND1 no hydrogen 3.232 N/A HIS 121.A N CYS 118.A O no hydrogen 3.249 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 2.543 N/A ARG 122.A N HIS 119.A O no hydrogen 3.174 N/A ARG 122.A NE HIS 121.A O no hydrogen 3.020 N/A ARG 122.A NH2 GLU 57.A OE1 no hydrogen 2.524 N/A VAL 123.A N CYS 118.A O no hydrogen 2.821 N/A LEU 124.A N ARG 150.A O no hydrogen 2.879 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.883 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.693 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.901 N/A ARG 126.A NE LEU 148.A O no hydrogen 2.704 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.136 N/A ASN 132.A N LYS 129.A O no hydrogen 3.006 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.581 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 2.756 N/A LEU 133.A N PRO 130.A O no hydrogen 2.921 N/A LEU 134.A N LYS 142.A O no hydrogen 3.053 N/A ILE 135.A N GLN 85.A O no hydrogen 2.709 N/A ASN 136.A N ALA 140.A O no hydrogen 3.052 N/A THR 137.A OG1 GLU 138.A OE1.A no hydrogen 3.098 N/A THR 137.A OG1 GLU 138.A OE2.A no hydrogen 3.358 N/A GLU 138.A N GLU 138.A OE1.A no hydrogen 2.785 N/A GLY 139.A N ASN 136.A O no hydrogen 3.209 N/A ALA 140.A N ASN 136.A OD1 no hydrogen 2.817 N/A ILE 141.A N GLN 110.A OE1 no hydrogen 3.153 N/A LYS 142.A N LEU 134.A O no hydrogen 2.755 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 3.001 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 3.191 N/A LEU 143.A N ASN 62.A O no hydrogen 2.829 N/A ALA 144.A N ASN 132.A O no hydrogen 2.886 N/A PHE 146.A N GLU 51.A OE2 no hydrogen 3.468 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.035 N/A ALA 149.A N PHE 146.A O no hydrogen 3.309 N/A ARG 150.A N LEU 124.A O no hydrogen 3.065 N/A PHE 152.A N ARG 122.A O no hydrogen 2.628 N/A THR 158.A N LYS 178.A O no hydrogen 2.953 N/A THR 158.A OG1 CYS 177.A O no hydrogen 2.794 N/A THR 158.A OG1 LYS 178.A O no hydrogen 3.133 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.981 N/A TYR 168.A N THR 165.A O no hydrogen 3.135 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.600 N/A ARG 169.A N LEU 166.A O no hydrogen 2.705 N/A ARG 169.A NE VAL 164.A O no hydrogen 2.828 N/A ARG 169.A NH2 VAL 164.A O no hydrogen 2.969 N/A LEU 174.A N ALA 170.A O no hydrogen 3.325 N/A LEU 175.A N PRO 171.A O no hydrogen 2.893 N/A GLY 176.A N ILE 173.A O no hydrogen 3.034 N/A CYS 177.A N GLU 172.A O no hydrogen 2.961 N/A CYS 177.A SG TYR 179.A O no hydrogen 3.115 N/A TYR 180.A N VAL 156.A O no hydrogen 2.861 N/A VAL 184.A N SER 181.A O no hydrogen 3.128 N/A ASP 185.A N THR 182.A O no hydrogen 3.250 N/A TRP 187.A N ALA 183.A O no hydrogen 3.058 N/A SER 188.A N VAL 184.A O no hydrogen 3.169 N/A SER 188.A OG TYR 168.A O no hydrogen 3.079 N/A SER 188.A OG VAL 184.A O no hydrogen 3.038 N/A LEU 189.A N ASP 185.A O no hydrogen 3.166 N/A GLY 190.A N ILE 186.A O no hydrogen 2.923 N/A CYS 191.A N TRP 187.A O no hydrogen 2.967 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.432 N/A ILE 192.A N SER 188.A O no hydrogen 3.080 N/A PHE 193.A N LEU 189.A O no hydrogen 2.721 N/A ALA 194.A N GLY 190.A O no hydrogen 3.065 N/A GLU 195.A N CYS 191.A O no hydrogen 3.016 N/A MET 196.A N ILE 192.A O no hydrogen 2.983 N/A VAL 197.A N PHE 193.A O no hydrogen 3.214 N/A THR 198.A N ALA 194.A O no hydrogen 2.880 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.920 N/A THR 198.A OG1 ARG 200.A O no hydrogen 3.208 N/A ARG 199.A NH1 ALA 95.A O no hydrogen 3.507 N/A GLY 205.A N PHE 203.A O no hydrogen 3.065 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 3.023 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.977 N/A SER 207.A OG ASP 206.A OD1 no hydrogen 3.514 N/A ASP 210.A N SER 207.A OG no hydrogen 3.066 N/A GLN 211.A N SER 207.A O no hydrogen 2.668 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 3.157 N/A LEU 212.A N GLU 208.A O no hydrogen 3.103 N/A PHE 213.A N ILE 209.A O no hydrogen 2.986 N/A ARG 214.A N ASP 210.A O no hydrogen 3.106 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 2.693 N/A ARG 214.A NH2 ASP 210.A OD2 no hydrogen 3.140 N/A ILE 215.A N GLN 211.A O no hydrogen 3.207 N/A PHE 216.A N LEU 212.A O no hydrogen 2.808 N/A ARG 217.A N PHE 213.A O no hydrogen 2.773 N/A THR 218.A N ILE 215.A O no hydrogen 3.151 N/A THR 218.A OG1 ARG 214.A O no hydrogen 2.937 N/A LEU 219.A N ILE 215.A O no hydrogen 2.828 N/A THR 221.A N TRP 243.A O no hydrogen 2.995 N/A THR 221.A OG1 PRO 241.A O no hydrogen 2.872 N/A VAL 226.A N ASP 223.A OD1 no hydrogen 2.744 N/A TRP 227.A N ASP 223.A O no hydrogen 2.788 N/A GLY 229.A N GLU 224.A OE1 no hydrogen 2.887 N/A VAL 230.A N TRP 227.A O no hydrogen 3.132 N/A THR 231.A N GLU 224.A OE2 no hydrogen 2.918 N/A THR 231.A OG1 GLU 224.A OE2 no hydrogen 2.568 N/A SER 232.A N GLY 229.A O no hydrogen 3.116 N/A MET 233.A N VAL 230.A O no hydrogen 3.325 N/A ASP 235.A N LEU 175.A O no hydrogen 2.757 N/A TYR 236.A N MET 233.A O no hydrogen 3.097 N/A PHE 240.A N LYS 237.A O no hydrogen 3.260 N/A TRP 243.A N THR 221.A OG1 no hydrogen 2.879 N/A ARG 245.A NH1 LEU 219.A O no hydrogen 2.731 N/A GLN 246.A N THR 218.A O no hydrogen 2.939 N/A GLN 246.A NE2 ARG 217.A O no hydrogen 2.916 N/A SER 249.A OG ASP 247.A OD2 no hydrogen 2.726 N/A LYS 250.A N ASP 247.A O no hydrogen 2.891 N/A VAL 251.A N ASP 247.A O no hydrogen 3.302 N/A VAL 252.A N PHE 248.A O no hydrogen 2.947 N/A GLY 259.A N ASP 256.A OD2 no hydrogen 2.765 N/A ARG 260.A N ASP 256.A O no hydrogen 2.763 N/A ARG 260.A NH1 LEU 255.A O no hydrogen 3.211 N/A SER 261.A N GLU 257.A O no hydrogen 2.907 N/A SER 261.A OG HIS 283.A NE2 no hydrogen 3.399 N/A LEU 262.A N ASP 258.A O no hydrogen 2.710 N/A LEU 263.A N GLY 259.A O no hydrogen 3.098 N/A SER 264.A N ARG 260.A O no hydrogen 3.006 N/A SER 264.A OG ARG 260.A O no hydrogen 3.500 N/A SER 264.A OG SER 261.A O no hydrogen 2.779 N/A GLN 265.A N SER 261.A O no hydrogen 3.235 N/A GLN 265.A N LEU 262.A O no hydrogen 3.117 N/A GLN 265.A NE2 SER 261.A O no hydrogen 3.104 N/A MET 266.A N LEU 262.A O no hydrogen 2.966 N/A LEU 267.A N LEU 263.A O no hydrogen 2.892 N/A TYR 269.A OH GLY 220.A O no hydrogen 2.523 N/A ASP 270.A N HIS 268.A ND1 no hydrogen 3.140 N/A ASN 272.A N ASP 270.A OD1 no hydrogen 3.096 N/A ASN 272.A ND2 ASP 270.A OD1 no hydrogen 3.173 N/A LYS 273.A N ASP 270.A O no hydrogen 3.006 N/A LYS 273.A NZ VAL 226.A O no hydrogen 3.084 N/A LYS 273.A NZ ASP 270.A OD2 no hydrogen 2.690 N/A ARG 274.A N ASP 270.A O no hydrogen 2.930 N/A ARG 274.A NE HIS 268.A O no hydrogen 2.717 N/A ARG 274.A NH1 GLU 172.A OE1 no hydrogen 3.450 N/A ARG 274.A NH1 GLU 172.A OE2 no hydrogen 2.981 N/A ARG 274.A NH1 ALA 183.A O no hydrogen 2.894 N/A ARG 274.A NH2 GLU 172.A OE2 no hydrogen 2.663 N/A ARG 274.A NH2 HIS 268.A O no hydrogen 2.777 N/A ILE 275.A N GLN 265.A O no hydrogen 3.085 N/A ALA 279.A N SER 276.A OG no hydrogen 2.958 N/A ALA 280.A N SER 276.A O no hydrogen 2.925 N/A LEU 281.A N ALA 277.A O no hydrogen 3.109 N/A ALA 282.A N ALA 279.A O no hydrogen 2.885 N/A HIS 283.A N ALA 280.A O no hydrogen 2.954 N/A PHE 285.A N HIS 283.A ND1 no hydrogen 3.000 N/A PHE 286.A N HIS 283.A O no hydrogen 3.063 N/A GLN 287.A N PRO 284.A O no hydrogen 3.109 N/A VAL 289.A N PHE 286.A O no hydrogen 3.513 N/A