Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7xdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 36.A OD1 no hydrogen 3.360 N/A PHE 4.A N TYR 79.A O no hydrogen 2.821 N/A ILE 9.A N SER 5.A O no hydrogen 3.177 N/A LYS 10.A N PHE 6.A O no hydrogen 3.154 N/A ALA 11.A N ALA 7.A O no hydrogen 3.045 N/A ALA 12.A N GLU 8.A O no hydrogen 2.960 N/A THR 13.A N ILE 9.A O no hydrogen 2.919 N/A THR 13.A OG1 ILE 9.A O no hydrogen 3.183 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.542 N/A LYS 14.A N ALA 11.A O no hydrogen 3.314 N/A ASN 15.A N LYS 10.A O no hydrogen 2.601 N/A PHE 16.A N THR 13.A OG1 no hydrogen 2.820 N/A ASP 17.A N THR 13.A O no hydrogen 3.361 N/A SER 19.A N ASP 17.A OD1 no hydrogen 2.893 N/A ARG 20.A N ASP 17.A O no hydrogen 2.723 N/A ARG 20.A NH1 ARG 32.A O no hydrogen 2.883 N/A VAL 21.A N GLU 18.A O no hydrogen 3.418 N/A LEU 22.A N VAL 30.A O no hydrogen 3.019 N/A GLY 25.A N GLY 28.A O no hydrogen 3.070 N/A LYS 29.A NZ GLU 18.A OE1 no hydrogen 3.135 N/A VAL 30.A N GLY 23.A O no hydrogen 3.095 N/A TYR 31.A N ILE 44.A O no hydrogen 2.683 N/A ARG 32.A N ARG 20.A O no hydrogen 2.630 N/A GLY 33.A N VAL 42.A O no hydrogen 3.023 N/A ILE 35.A N THR 40.A O no hydrogen 3.026 N/A GLY 38.A N ILE 35.A O no hydrogen 3.164 N/A THR 39.A N ASP 36.A O no hydrogen 3.458 N/A THR 40.A N ILE 35.A O no hydrogen 3.346 N/A THR 40.A OG1 ASP 36.A OD2 no hydrogen 3.563 N/A VAL 42.A N GLY 33.A O no hydrogen 2.772 N/A ALA 43.A N TYR 90.A O no hydrogen 2.719 N/A ILE 44.A N TYR 31.A O no hydrogen 2.840 N/A ARG 45.A N LEU 88.A O no hydrogen 2.857 N/A ARG 45.A NH1 ASP 159.A OD1 no hydrogen 3.326 N/A ARG 45.A NH2 ASP 159.A OD1 no hydrogen 2.917 N/A ARG 46.A N LYS 29.A O no hydrogen 2.825 N/A GLY 47.A N MET 86.A O no hydrogen 2.652 N/A MET 50.A N ASN 48.A OD1 no hydrogen 3.465 N/A SER 51.A N ASN 48.A O no hydrogen 3.189 N/A SER 51.A OG GLN 53.A OE1 no hydrogen 3.181 N/A GLN 53.A N GLN 53.A OE1 no hydrogen 2.932 N/A GLY 54.A N SER 51.A OG no hydrogen 2.817 N/A VAL 55.A N SER 51.A O no hydrogen 2.958 N/A HIS 56.A N GLU 52.A O no hydrogen 2.589 N/A GLU 57.A N GLN 53.A O no hydrogen 2.843 N/A PHE 58.A N GLY 54.A O no hydrogen 2.928 N/A GLN 59.A N VAL 55.A O no hydrogen 2.872 N/A THR 60.A N HIS 56.A O no hydrogen 2.754 N/A THR 60.A OG1 HIS 56.A O no hydrogen 3.008 N/A GLU 61.A N GLU 57.A O no hydrogen 3.010 N/A ILE 62.A N PHE 58.A O no hydrogen 3.227 N/A GLU 63.A N GLN 59.A O no hydrogen 3.058 N/A MET 64.A N THR 60.A O no hydrogen 2.979 N/A LEU 65.A N GLU 61.A O no hydrogen 3.046 N/A SER 66.A N ILE 62.A O no hydrogen 3.195 N/A SER 66.A OG ILE 62.A O no hydrogen 2.712 N/A LYS 67.A N MET 64.A O no hydrogen 3.141 N/A LYS 67.A NZ LYS 67.A O no hydrogen 3.436 N/A LEU 68.A N LEU 65.A O no hydrogen 3.379 N/A ARG 69.A N TYR 128.A OH no hydrogen 3.227 N/A ARG 69.A NH1 SER 66.A O no hydrogen 3.217 N/A ARG 69.A NH2 LEU 65.A O no hydrogen 3.313 N/A ARG 69.A NH2 SER 66.A O no hydrogen 3.266 N/A ARG 69.A NH2 LEU 68.A O no hydrogen 2.616 N/A HIS 72.A N HIS 70.A ND1 no hydrogen 2.953 N/A HIS 72.A ND1 ALA 155.A O no hydrogen 2.824 N/A LEU 73.A N HIS 70.A O no hydrogen 3.089 N/A VAL 74.A N VAL 157.A O no hydrogen 2.904 N/A SER 75.A OG ASP 91.A OD2 no hydrogen 2.984 N/A ILE 77.A N VAL 89.A O no hydrogen 2.690 N/A GLY 78.A N VAL 89.A O no hydrogen 3.263 N/A TYR 79.A N ARG 2.A O no hydrogen 3.272 N/A TYR 79.A OH HIS 3.A NE2 no hydrogen 3.119 N/A CYS 80.A N ILE 87.A O no hydrogen 2.953 N/A CYS 80.A SG PHE 4.A O no hydrogen 3.107 N/A GLU 85.A N GLU 82.A O no hydrogen 3.352 N/A ILE 87.A N CYS 80.A O no hydrogen 3.127 N/A LEU 88.A N ARG 45.A O no hydrogen 2.985 N/A VAL 89.A N GLY 78.A O no hydrogen 2.878 N/A TYR 90.A N ALA 43.A O no hydrogen 2.873 N/A ASP 91.A N SER 75.A O no hydrogen 3.312 N/A TYR 92.A N LYS 41.A O no hydrogen 3.503 N/A HIS 95.A N LEU 149.A O no hydrogen 2.843 N/A HIS 95.A ND1 ASP 150.A O no hydrogen 3.114 N/A GLY 96.A N MET 93.A O no hydrogen 3.089 N/A MET 98.A N ILE 147.A O no hydrogen 2.852 N/A ARG 99.A N THR 144.A O no hydrogen 3.098 N/A ARG 99.A NE THR 144.A OG1 no hydrogen 2.949 N/A ARG 99.A NH2 THR 144.A OG1 no hydrogen 3.306 N/A GLU 100.A N THR 97.A OG1 no hydrogen 3.121 N/A HIS 101.A N MET 98.A O no hydrogen 3.020 N/A HIS 101.A NE2 HIS 95.A O no hydrogen 2.592 N/A LEU 102.A N ARG 99.A O no hydrogen 2.926 N/A TYR 103.A N ARG 99.A O no hydrogen 3.417 N/A TYR 103.A OH GLU 196.A OE1 no hydrogen 2.651 N/A THR 105.A OG1 GLU 100.A O no hydrogen 2.682 N/A ASN 107.A N THR 105.A OG1 no hydrogen 3.114 N/A ASN 107.A ND2 GLU 100.A O no hydrogen 2.911 N/A LYS 113.A NZ GLU 281.A OE2 no hydrogen 3.158 N/A ARG 115.A N PRO 111.A O no hydrogen 2.990 N/A ARG 115.A NE LEU 110.A O no hydrogen 2.854 N/A ARG 115.A NH1 ALA 197.A O no hydrogen 2.811 N/A ARG 115.A NH1 ASP 233.A OD2 no hydrogen 2.825 N/A ARG 115.A NH2 LEU 110.A O no hydrogen 3.093 N/A ARG 115.A NH2 ASP 233.A OD2 no hydrogen 2.708 N/A LEU 116.A N TRP 112.A O no hydrogen 2.997 N/A GLU 117.A N LYS 113.A O no hydrogen 2.989 N/A ILE 118.A N GLN 114.A O no hydrogen 2.988 N/A CYS 119.A N ARG 115.A O no hydrogen 3.019 N/A CYS 119.A SG ARG 115.A O no hydrogen 3.254 N/A ILE 120.A N LEU 116.A O no hydrogen 2.843 N/A GLY 121.A N GLU 117.A O no hydrogen 2.908 N/A ALA 122.A N ILE 118.A O no hydrogen 2.959 N/A ALA 123.A N CYS 119.A O no hydrogen 2.863 N/A ARG 124.A N ILE 120.A O no hydrogen 2.932 N/A ARG 124.A NH2 GLU 274.A OE1 no hydrogen 2.548 N/A GLY 125.A N GLY 121.A O no hydrogen 3.065 N/A LEU 126.A N ALA 122.A O no hydrogen 2.943 N/A HIS 127.A N ALA 123.A O no hydrogen 2.716 N/A TYR 128.A N ARG 124.A O no hydrogen 2.913 N/A LEU 129.A N GLY 125.A O no hydrogen 3.007 N/A HIS 130.A N LEU 126.A O no hydrogen 2.955 N/A HIS 130.A NE2 ASP 186.A OD2 no hydrogen 2.958 N/A THR 131.A N HIS 127.A O no hydrogen 2.926 N/A THR 131.A OG1 HIS 127.A O no hydrogen 2.808 N/A GLY 132.A N TYR 128.A O no hydrogen 2.731 N/A ILE 137.A N LEU 129.A O no hydrogen 3.001 N/A ILE 138.A N LYS 164.A O no hydrogen 2.918 N/A HIS 139.A N ASP 186.A OD2 no hydrogen 2.730 N/A HIS 139.A NE2 SER 158.A O no hydrogen 2.823 N/A ARG 140.A N ASP 186.A OD1 no hydrogen 3.065 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 2.871 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.026 N/A LYS 143.A NZ SER 167.A OG no hydrogen 2.939 N/A THR 144.A OG1 TYR 170.A OH no hydrogen 3.155 N/A THR 144.A OG1 GLU 196.A OE1 no hydrogen 2.577 N/A THR 144.A OG1 GLU 196.A OE2 no hydrogen 3.530 N/A ASN 146.A N LYS 143.A O no hydrogen 2.983 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.840 N/A ASN 146.A ND2 ASP 141.A OD2 no hydrogen 2.950 N/A LEU 148.A N LYS 156.A O no hydrogen 2.815 N/A LEU 149.A N GLY 96.A O no hydrogen 2.753 N/A ASP 150.A N VAL 154.A O no hydrogen 3.069 N/A LYS 152.A N ASP 150.A OD1 no hydrogen 3.091 N/A TRP 153.A N ASP 150.A O no hydrogen 2.720 N/A VAL 154.A N ASP 150.A OD1 no hydrogen 2.819 N/A LYS 156.A N LEU 148.A O no hydrogen 2.774 N/A LYS 156.A NZ ARG 71.A O no hydrogen 2.704 N/A VAL 157.A N HIS 72.A O no hydrogen 2.854 N/A SER 158.A N ASN 146.A O no hydrogen 2.973 N/A SER 158.A OG ASN 146.A O no hydrogen 3.354 N/A SER 158.A OG ASP 159.A OD1 no hydrogen 3.562 N/A PHE 160.A N GLU 61.A OE1 no hydrogen 3.117 N/A SER 163.A N PHE 160.A O no hydrogen 3.465 N/A SER 163.A OG PHE 160.A O no hydrogen 2.954 N/A LYS 164.A N ILE 138.A O no hydrogen 3.013 N/A SER 167.A OG ASP 141.A OD1 no hydrogen 2.976 N/A TYR 170.A N SER 167.A O no hydrogen 2.992 N/A TYR 170.A OH GLU 196.A OE1 no hydrogen 3.156 N/A TYR 170.A OH GLU 196.A OE2 no hydrogen 2.284 N/A LEU 171.A N PHE 168.A O no hydrogen 3.384 N/A GLU 174.A N ASP 172.A OD1 no hydrogen 3.015 N/A TYR 175.A N ASP 172.A O no hydrogen 2.872 N/A PHE 176.A N PRO 173.A O no hydrogen 3.354 N/A ARG 177.A N GLU 174.A O no hydrogen 3.174 N/A ARG 177.A NE PRO 173.A O no hydrogen 3.396 N/A ARG 178.A N GLU 174.A O no hydrogen 2.737 N/A GLN 179.A N TYR 175.A O no hydrogen 3.109 N/A THR 182.A OG1 GLU 183.A OE2 no hydrogen 3.299 N/A GLU 183.A N GLU 183.A OE2 no hydrogen 2.744 N/A LYS 184.A N THR 182.A OG1 no hydrogen 2.971 N/A LYS 184.A NZ GLY 260.A O no hydrogen 3.297 N/A LYS 184.A NZ ARG 263.A O no hydrogen 2.952 N/A SER 185.A N THR 182.A O no hydrogen 2.874 N/A SER 185.A OG ASP 172.A OD2 no hydrogen 2.759 N/A VAL 187.A N GLU 183.A O no hydrogen 3.259 N/A TYR 188.A N LYS 184.A O no hydrogen 3.068 N/A SER 189.A N SER 185.A O no hydrogen 3.223 N/A SER 189.A OG TYR 170.A O no hydrogen 2.660 N/A SER 189.A OG SER 185.A O no hydrogen 3.283 N/A PHE 190.A N ASP 186.A O no hydrogen 2.875 N/A GLY 191.A N VAL 187.A O no hydrogen 2.866 N/A VAL 192.A N TYR 188.A O no hydrogen 3.197 N/A VAL 193.A N SER 189.A O no hydrogen 3.088 N/A LEU 194.A N PHE 190.A O no hydrogen 2.901 N/A PHE 195.A N GLY 191.A O no hydrogen 3.106 N/A GLU 196.A N VAL 192.A O no hydrogen 2.865 N/A ALA 197.A N VAL 193.A O no hydrogen 2.862 N/A LEU 198.A N LEU 194.A O no hydrogen 3.082 N/A CYS 199.A N PHE 195.A O no hydrogen 2.748 N/A CYS 199.A SG PHE 195.A O no hydrogen 3.315 N/A CYS 199.A SG ILE 231.A O no hydrogen 3.714 N/A ALA 200.A N GLU 196.A O no hydrogen 2.806 N/A ARG 201.A NE PRO 202.A O no hydrogen 2.801 N/A ARG 201.A NH1 GLN 212.A O no hydrogen 2.722 N/A ARG 201.A NH2 PRO 202.A O no hydrogen 3.005 N/A ARG 201.A NH2 GLN 212.A O no hydrogen 3.177 N/A ARG 201.A NH2 VAL 213.A O no hydrogen 2.963 N/A ASN 205.A N VAL 213.A O no hydrogen 3.017 N/A THR 207.A N ASN 205.A OD1 no hydrogen 3.015 N/A THR 207.A OG1 ASN 205.A OD1 no hydrogen 2.642 N/A LEU 208.A N ASN 205.A O no hydrogen 3.426 N/A GLN 212.A N ALA 209.A O no hydrogen 2.793 N/A LEU 215.A N ALA 203.A O no hydrogen 2.836 N/A GLU 217.A N SER 214.A O no hydrogen 2.958 N/A TRP 218.A N SER 214.A O no hydrogen 2.783 N/A ALA 219.A N LEU 215.A O no hydrogen 2.863 N/A TYR 221.A N GLU 217.A O no hydrogen 3.209 N/A CYS 222.A N TRP 218.A O no hydrogen 2.946 N/A CYS 222.A SG TRP 218.A O no hydrogen 3.508 N/A TYR 223.A N ALA 219.A O no hydrogen 2.975 N/A LYS 224.A N PRO 220.A O no hydrogen 3.057 N/A LYS 225.A N TYR 221.A O no hydrogen 3.145 N/A GLY 226.A N TYR 223.A O no hydrogen 2.748 N/A MET 227.A N CYS 222.A O no hydrogen 2.674 N/A GLN 230.A N MET 227.A O no hydrogen 2.971 N/A ILE 231.A N LEU 228.A O no hydrogen 3.116 N/A ASP 233.A N LEU 198.A O no hydrogen 2.939 N/A TYR 235.A N ASP 233.A OD1 no hydrogen 3.085 N/A LEU 236.A N ASP 233.A O no hydrogen 2.776 N/A LYS 237.A N PRO 234.A O no hydrogen 3.333 N/A LYS 237.A NZ GLN 230.A O no hydrogen 3.549 N/A LYS 237.A NZ VAL 232.A O no hydrogen 3.057 N/A LYS 239.A N LEU 236.A O no hydrogen 2.943 N/A LYS 239.A NZ TYR 235.A O no hydrogen 3.364 N/A THR 241.A N GLN 280.A OE1 no hydrogen 2.917 N/A THR 241.A OG1 LEU 279.A O no hydrogen 3.001 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.812 N/A CYS 244.A N THR 241.A OG1 no hydrogen 3.164 N/A CYS 244.A SG ALA 276.A O no hydrogen 3.329 N/A PHE 245.A N THR 241.A O no hydrogen 2.874 N/A LYS 246.A N PRO 242.A O no hydrogen 3.123 N/A LYS 247.A N GLU 243.A O no hydrogen 3.179 N/A PHE 248.A N CYS 244.A O no hydrogen 2.838 N/A ALA 249.A N PHE 245.A O no hydrogen 2.924 N/A GLU 250.A N LYS 246.A O no hydrogen 2.919 N/A THR 251.A N LYS 247.A O no hydrogen 3.031 N/A THR 251.A OG1 LYS 247.A O no hydrogen 2.683 N/A ALA 252.A N PHE 248.A O no hydrogen 2.940 N/A MET 253.A N ALA 249.A O no hydrogen 2.845 N/A LYS 254.A N GLU 250.A O no hydrogen 3.036 N/A CYS 255.A N THR 251.A O no hydrogen 3.142 N/A CYS 255.A SG THR 251.A O no hydrogen 3.364 N/A VAL 256.A N ALA 252.A O no hydrogen 3.315 N/A LEU 257.A N LYS 254.A O no hydrogen 3.422 N/A GLN 259.A N GLU 262.A OE2 no hydrogen 3.377 N/A GLY 260.A N GLU 174.A OE1 no hydrogen 3.394 N/A GLY 260.A N GLU 174.A OE2 no hydrogen 2.781 N/A GLU 262.A N GLN 259.A O no hydrogen 2.977 N/A ARG 263.A N GLY 260.A O no hydrogen 2.986 N/A ARG 263.A NE LEU 257.A O no hydrogen 2.748 N/A ARG 263.A NH1 ASP 172.A OD1 no hydrogen 3.312 N/A ARG 263.A NH1 ASP 172.A OD2 no hydrogen 2.948 N/A ARG 263.A NH1 LYS 184.A O no hydrogen 2.869 N/A ARG 263.A NH2 ASP 172.A OD1 no hydrogen 2.795 N/A ARG 263.A NH2 LEU 257.A O no hydrogen 2.856 N/A ASP 268.A N SER 265.A OG no hydrogen 3.280 N/A VAL 269.A N SER 265.A O no hydrogen 2.969 N/A LEU 270.A N MET 266.A O no hydrogen 2.748 N/A TRP 271.A N GLY 267.A O no hydrogen 3.041 N/A ASN 272.A N ASP 268.A O no hydrogen 3.081 N/A ASN 272.A ND2 ASP 268.A O no hydrogen 2.822 N/A LEU 273.A N VAL 269.A O no hydrogen 2.885 N/A GLU 274.A N LEU 270.A O no hydrogen 2.908 N/A PHE 275.A N TRP 271.A O no hydrogen 2.835 N/A ALA 276.A N ASN 272.A O no hydrogen 2.863 N/A LEU 277.A N LEU 273.A O no hydrogen 2.955 N/A GLN 278.A N GLU 274.A O no hydrogen 3.132 N/A GLN 278.A NE2 GLU 274.A O no hydrogen 3.695 N/A LEU 279.A N PHE 275.A O no hydrogen 3.029 N/A GLN 280.A N ALA 276.A O no hydrogen 3.099 N/A GLN 280.A N LEU 277.A O no hydrogen 3.205 N/A GLN 280.A NE2 LYS 239.A O no hydrogen 2.789 N/A GLU 281.A N GLN 278.A O no hydrogen 3.267 N/A