Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4he1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PHE 167.A O no hydrogen 2.695 N/A ARG 6.A N THR 3.A OG1 no hydrogen 3.119 N/A TYR 7.A N THR 3.A O no hydrogen 2.713 N/A TYR 7.A OH ASP 156.A OD2 no hydrogen 3.027 N/A VAL 8.A N LEU 4.A O no hydrogen 2.788 N/A MET 9.A N THR 5.A O no hydrogen 3.166 N/A GLU 10.A N ARG 6.A O no hydrogen 3.133 N/A LYS 11.A N TYR 7.A O no hydrogen 2.897 N/A GLY 12.A N VAL 8.A O no hydrogen 3.023 N/A ARG 13.A N GLU 10.A O no hydrogen 3.048 N/A ARG 13.A NE GLU 10.A OE1 no hydrogen 3.065 N/A ARG 13.A NH2 GLU 10.A OE2 no hydrogen 3.224 N/A GLN 14.A N GLU 10.A O no hydrogen 3.279 N/A LYS 16.A N ARG 13.A O no hydrogen 3.433 N/A GLY 17.A N GLY 12.A O no hydrogen 3.345 N/A THR 22.A OG1 VAL 8.A O no hydrogen 3.404 N/A ARG 23.A N GLY 19.A O no hydrogen 2.939 N/A ARG 23.A NE SER 62.A O no hydrogen 2.843 N/A ARG 23.A NH2 SER 62.A O no hydrogen 3.194 N/A ARG 23.A NH2 TYR 63.A O no hydrogen 3.283 N/A LEU 24.A N GLU 20.A O no hydrogen 3.041 N/A LEU 25.A N LEU 21.A O no hydrogen 2.874 N/A ASN 26.A N THR 22.A O no hydrogen 3.001 N/A SER 27.A N ARG 23.A O no hydrogen 3.178 N/A SER 27.A OG ARG 23.A O no hydrogen 3.467 N/A SER 27.A OG MET 58.A O no hydrogen 3.136 N/A MET 28.A N LEU 24.A O no hydrogen 2.938 N/A LEU 29.A N LEU 25.A O no hydrogen 2.800 N/A THR 30.A N ASN 26.A O no hydrogen 2.903 N/A THR 30.A OG1 ASN 26.A O no hydrogen 2.804 N/A ALA 31.A N SER 27.A O no hydrogen 3.092 N/A ILE 32.A N MET 28.A O no hydrogen 2.972 N/A LYS 33.A N LEU 29.A O no hydrogen 3.041 N/A LYS 33.A NZ GLY 165.A O no hydrogen 3.002 N/A ALA 34.A N THR 30.A O no hydrogen 3.116 N/A ILE 35.A N ALA 31.A O no hydrogen 2.869 N/A SER 36.A N ILE 32.A O no hydrogen 2.795 N/A SER 36.A OG THR 145.A OG1 no hydrogen 2.829 N/A SER 37.A N LYS 33.A O no hydrogen 3.101 N/A ALA 38.A N ALA 34.A O no hydrogen 3.029 N/A VAL 39.A N ILE 35.A O no hydrogen 2.840 N/A ARG 40.A N SER 36.A O no hydrogen 2.910 N/A LYS 41.A N ALA 38.A O no hydrogen 3.296 N/A ALA 42.A N VAL 39.A O no hydrogen 3.255 N/A LEU 44.A N LYS 41.A O no hydrogen 3.378 N/A LEU 50.A N LYS 46.A O no hydrogen 3.298 N/A SER 51.A N LEU 47.A O no hydrogen 2.830 N/A SER 51.A OG LEU 47.A O no hydrogen 3.073 N/A SER 51.A OG ASP 48.A O no hydrogen 3.213 N/A ASN 52.A N ASP 48.A O no hydrogen 3.005 N/A ASN 52.A ND2 ASN 73.A OD1 no hydrogen 2.880 N/A SER 53.A N VAL 49.A O no hydrogen 3.077 N/A SER 53.A OG VAL 49.A O no hydrogen 2.991 N/A LEU 54.A N LEU 50.A O no hydrogen 2.955 N/A VAL 55.A N SER 51.A O no hydrogen 3.065 N/A ILE 56.A N ASN 52.A O no hydrogen 2.988 N/A ASN 57.A N SER 53.A O no hydrogen 2.900 N/A MET 58.A N LEU 54.A O no hydrogen 3.044 N/A LEU 59.A N VAL 55.A O no hydrogen 2.895 N/A GLN 60.A N ILE 56.A O no hydrogen 2.944 N/A SER 61.A N ASN 57.A O no hydrogen 3.100 N/A SER 61.A OG.A ASN 57.A O no hydrogen 3.252 N/A SER 61.A OG.A MET 58.A O no hydrogen 2.992 N/A SER 61.A OG.B ASN 57.A O no hydrogen 2.626 N/A SER 62.A N LEU 59.A O no hydrogen 3.128 N/A SER 62.A OG LEU 59.A O no hydrogen 2.447 N/A SER 64.A OG GLU 20.A O no hydrogen 2.639 N/A SER 64.A OG SER 62.A O no hydrogen 3.445 N/A THR 65.A OG1 THR 79.A OG1 no hydrogen 2.791 N/A CYS 66.A N TYR 87.A O no hydrogen 2.891 N/A CYS 66.A SG TYR 87.A O no hydrogen 3.678 N/A LEU 68.A N ILE 77.A O no hydrogen 2.768 N/A VAL 69.A N VAL 89.A O no hydrogen 2.849 N/A SER 70.A OG ASN 52.A OD1 no hydrogen 2.596 N/A GLU 71.A N PHE 91.A O no hydrogen 3.251 N/A GLU 72.A N SER 70.A OG no hydrogen 3.068 N/A ASN 73.A N SER 70.A O no hydrogen 3.231 N/A ILE 77.A N LEU 68.A O no hydrogen 2.705 N/A THR 79.A N CYS 66.A O no hydrogen 2.965 N/A THR 79.A OG1 THR 65.A OG1 no hydrogen 2.791 N/A GLU 82.A N GLU 82.A OE2 no hydrogen 2.888 N/A LYS 83.A N ALA 80.A O no hydrogen 2.945 N/A ARG 84.A N LYS 81.A O no hydrogen 3.271 N/A ARG 84.A NH1 THR 79.A O no hydrogen 2.938 N/A GLY 85.A N THR 65.A O no hydrogen 2.745 N/A LYS 86.A N GLU 20.A OE2 no hydrogen 2.737 N/A LYS 86.A NZ THR 18.A OG1 no hydrogen 3.246 N/A LYS 86.A NZ GLU 20.A OE1 no hydrogen 2.895 N/A TYR 87.A N SER 64.A O no hydrogen 2.909 N/A VAL 88.A N TYR 113.A O no hydrogen 2.760 N/A VAL 89.A N VAL 67.A O no hydrogen 3.136 N/A CYS 90.A N ALA 111.A O no hydrogen 2.875 N/A PHE 91.A N VAL 69.A O no hydrogen 2.789 N/A ASP 92.A N ILE 109.A O no hydrogen 2.789 N/A ASP 95.A N GLY 107.A O no hydrogen 2.586 N/A SER 98.A OG GLY 220.A O no hydrogen 3.512 N/A ASN 99.A N GLY 96.A O no hydrogen 3.203 N/A ASN 99.A ND2 VAL 219.A O no hydrogen 3.100 N/A ASN 99.A ND2 SER 221.A OG no hydrogen 2.807 N/A ILE 100.A N SER 97.A O no hydrogen 3.323 N/A CYS 102.A SG ASN 99.A O no hydrogen 3.343 N/A CYS 102.A SG ASN 99.A OD1 no hydrogen 3.327 N/A LEU 103.A N ILE 100.A O no hydrogen 3.251 N/A ALA 104.A N ASN 99.A O no hydrogen 3.203 N/A ILE 106.A N TYR 141.A O no hydrogen 3.298 N/A GLY 107.A N ASP 95.A O no hydrogen 3.012 N/A THR 108.A N ALA 139.A O no hydrogen 2.987 N/A THR 108.A OG1 PRO 93.A O no hydrogen 2.691 N/A THR 108.A OG1 TYR 141.A OH no hydrogen 2.613 N/A ILE 109.A N ASP 92.A O no hydrogen 3.013 N/A PHE 110.A N GLY 137.A O no hydrogen 3.049 N/A ALA 111.A N CYS 90.A O no hydrogen 2.818 N/A ILE 112.A N ALA 135.A O no hydrogen 2.665 N/A TYR 113.A N VAL 88.A O no hydrogen 2.743 N/A LYS 115.A N LYS 86.A O no hydrogen 2.896 N/A LYS 115.A NZ SER 117.A O no hydrogen 2.713 N/A LYS 115.A NZ ASP 119.A O no hydrogen 2.762 N/A SER 117.A OG ASP 125.A OD1 no hydrogen 2.880 N/A SER 122.A N ASP 125.A OD2 no hydrogen 2.904 N/A LYS 124.A N SER 122.A OG no hydrogen 3.400 N/A ASP 125.A N SER 122.A O no hydrogen 3.127 N/A ALA 126.A N GLU 123.A O no hydrogen 2.876 N/A LEU 127.A N LYS 124.A O no hydrogen 3.262 N/A GLN 128.A NE2 ARG 114.A O no hydrogen 3.053 N/A GLN 128.A NE2 ASP 125.A O no hydrogen 3.028 N/A CYS 129.A SG ASP 278.A O no hydrogen 3.992 N/A CYS 129.A SG VAL 279.A O no hydrogen 3.614 N/A ARG 131.A N LEU 277.A O no hydrogen 2.942 N/A ARG 131.A NE ASP 278.A OD1 no hydrogen 2.747 N/A ARG 131.A NH1 GLU 263.A OE1 no hydrogen 2.695 N/A ARG 131.A NH2 GLU 263.A OE2 no hydrogen 3.490 N/A ARG 131.A NH2 ASP 278.A OD1 no hydrogen 3.269 N/A ARG 131.A NH2 ASP 278.A OD2 no hydrogen 2.800 N/A ASN 132.A N CYS 129.A O no hydrogen 2.869 N/A ASN 132.A ND2 GLN 128.A OE1 no hydrogen 3.075 N/A ILE 133.A N GLY 130.A O no hydrogen 2.939 N/A VAL 134.A N ILE 112.A O no hydrogen 2.746 N/A ALA 135.A N ILE 112.A O no hydrogen 3.319 N/A ALA 136.A N SER 150.A O no hydrogen 3.021 N/A GLY 137.A N PHE 110.A O no hydrogen 3.045 N/A TYR 138.A N ALA 148.A O no hydrogen 3.041 N/A TYR 138.A OH HIS 227.A ND1 no hydrogen 2.694 N/A ALA 139.A N THR 108.A O no hydrogen 2.767 N/A LEU 140.A N LEU 146.A O no hydrogen 2.697 N/A TYR 141.A N ILE 106.A O no hydrogen 2.680 N/A TYR 141.A OH THR 108.A OG1 no hydrogen 2.613 N/A GLY 142.A N ALA 144.A O no hydrogen 3.052 N/A THR 145.A OG1 SER 36.A OG no hydrogen 2.829 N/A LEU 146.A N LEU 140.A O no hydrogen 3.035 N/A VAL 147.A N PHE 158.A O no hydrogen 2.817 N/A ALA 148.A N TYR 138.A O no hydrogen 2.920 N/A LEU 149.A N ASP 156.A O no hydrogen 2.922 N/A SER 150.A N ALA 136.A O no hydrogen 2.980 N/A SER 150.A OG GLY 154.A O no hydrogen 3.096 N/A SER 150.A OG GLN 264.A OE1 no hydrogen 3.166 N/A THR 151.A OG1 GLN 153.A OE1 no hydrogen 2.785 N/A GLY 152.A N SER 150.A OG no hydrogen 3.171 N/A GLN 153.A NE2 THR 151.A O no hydrogen 3.119 N/A GLY 154.A N GLN 264.A OE1 no hydrogen 2.878 N/A ASP 156.A N LEU 149.A O no hydrogen 2.935 N/A LEU 157.A N GLU 171.A O no hydrogen 2.902 N/A PHE 158.A N VAL 147.A O no hydrogen 2.789 N/A MET 159.A N VAL 168.A O no hydrogen 2.869 N/A LEU 160.A N THR 145.A O no hydrogen 2.866 N/A ASP 161.A N GLU 166.A O no hydrogen 2.956 N/A ALA 163.A N ASP 161.A OD1 no hydrogen 3.214 N/A LEU 164.A N ASP 161.A OD1 no hydrogen 3.384 N/A GLY 165.A N ASP 161.A O no hydrogen 2.701 N/A VAL 168.A N MET 159.A O no hydrogen 2.904 N/A LEU 169.A N LEU 2.A O no hydrogen 2.927 N/A VAL 170.A N LEU 157.A O no hydrogen 2.896 N/A GLU 171.A N LEU 157.A O no hydrogen 3.362 N/A ASP 173.A N ASP 156.A OD1 no hydrogen 2.930 N/A VAL 174.A N VAL 155.A O no hydrogen 2.820 N/A LYS 175.A NZ GLN 264.A O no hydrogen 2.989 N/A ILE 176.A N ALA 265.A O no hydrogen 2.923 N/A LYS 179.A NZ TYR 214.A OH no hydrogen 2.959 N/A GLY 180.A N ASP 297.A OD2 no hydrogen 2.774 N/A TYR 183.A N GLY 215.A O no hydrogen 2.986 N/A TYR 183.A OH GLU 187.A OE2 no hydrogen 2.646 N/A SER 184.A OG ARG 217.A O no hydrogen 2.582 N/A SER 184.A OG ASP 225.A OD1 no hydrogen 3.521 N/A GLY 188.A N ASN 186.A OD1 no hydrogen 2.946 N/A TYR 189.A N.A ASN 186.A O no hydrogen 3.349 N/A TYR 189.A N.B ASN 186.A O no hydrogen 3.348 N/A ALA 190.A N GLU 187.A O no hydrogen 3.038 N/A TYR 192.A N TYR 189.A O.A no hydrogen 2.764 N/A TYR 192.A N TYR 189.A O.B no hydrogen 2.804 N/A PHE 193.A N ALA 190.A O no hydrogen 3.303 N/A THR 197.A N ASP 194.A OD1 no hydrogen 2.788 N/A THR 197.A OG1 ASP 194.A OD1 no hydrogen 2.949 N/A THR 197.A OG1 TYR 301.A OH no hydrogen 3.171 N/A THR 198.A N ASP 194.A O no hydrogen 3.152 N/A THR 198.A OG1 ASP 194.A O no hydrogen 3.158 N/A GLU 199.A N ALA 195.A O no hydrogen 2.912 N/A TYR 200.A N ALA 196.A O no hydrogen 2.940 N/A VAL 201.A N THR 197.A O no hydrogen 2.902 N/A GLN 202.A N THR 198.A O no hydrogen 2.995 N/A LYS 203.A N GLU 199.A O no hydrogen 3.002 N/A LYS 204.A N TYR 200.A O no hydrogen 3.158 N/A LYS 204.A N VAL 201.A O no hydrogen 3.056 N/A LYS 204.A NZ GLU 300.A OE1 no hydrogen 2.974 N/A LYS 205.A N VAL 201.A O no hydrogen 3.211 N/A LYS 205.A N GLN 202.A O no hydrogen 3.265 N/A LYS 205.A NZ GLU 187.A OE1 no hydrogen 2.604 N/A LYS 205.A NZ GLU 187.A OE2 no hydrogen 3.533 N/A PHE 206.A N GLN 202.A O no hydrogen 2.732 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.104 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.651 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.533 N/A TYR 214.A N LYS 204.A O no hydrogen 2.922 N/A TYR 214.A OH ASP 297.A OD1 no hydrogen 2.460 N/A GLY 215.A N LYS 181.A O no hydrogen 2.933 N/A ARG 217.A N TYR 183.A O no hydrogen 3.236 N/A ARG 217.A NH1 ALA 216.A O no hydrogen 2.943 N/A VAL 219.A N ASP 225.A OD1 no hydrogen 2.809 N/A GLY 220.A N ASP 225.A OD2 no hydrogen 2.965 N/A SER 221.A OG SER 105.A O no hydrogen 2.729 N/A ASP 225.A N SER 221.A O no hydrogen 3.049 N/A VAL 226.A N MET 222.A O no hydrogen 2.766 N/A HIS 227.A N VAL 223.A O no hydrogen 2.874 N/A HIS 227.A ND1 TYR 138.A OH no hydrogen 2.694 N/A ARG 228.A N ALA 224.A O no hydrogen 2.964 N/A ARG 228.A NH1 ASP 225.A OD1 no hydrogen 2.728 N/A ARG 228.A NH2 SER 184.A OG no hydrogen 2.942 N/A ARG 228.A NH2 ASP 225.A OD1 no hydrogen 3.341 N/A THR 229.A N ASP 225.A O no hydrogen 3.061 N/A THR 229.A OG1 ASP 225.A O no hydrogen 2.652 N/A LEU 230.A N VAL 226.A O no hydrogen 2.889 N/A VAL 231.A N HIS 227.A O no hydrogen 3.117 N/A TYR 232.A N ARG 228.A O no hydrogen 2.787 N/A GLY 233.A N THR 229.A O no hydrogen 2.744 N/A GLY 234.A N SER 294.A OG no hydrogen 2.946 N/A ILE 235.A N ILE 182.A O no hydrogen 3.067 N/A PHE 236.A N LEU 292.A O no hydrogen 2.857 N/A LEU 237.A N SER 184.A O no hydrogen 2.809 N/A TYR 238.A N LEU 290.A O no hydrogen 2.634 N/A ASN 241.A N SER 244.A O no hydrogen 3.153 N/A GLN 242.A N TYR 192.A O no hydrogen 3.011 N/A SER 244.A N ASN 241.A O no hydrogen 3.022 N/A SER 244.A N ASN 241.A OD1 no hydrogen 2.884 N/A GLY 247.A N SER 244.A O no hydrogen 2.850 N/A ARG 250.A N GLU 254.A OE1 no hydrogen 2.736 N/A ARG 250.A NH1 HIS 285.A O no hydrogen 2.802 N/A LEU 251.A N GLN 286.A O no hydrogen 2.901 N/A TYR 253.A OH HIS 285.A ND1 no hydrogen 2.697 N/A GLU 254.A N ARG 250.A O no hydrogen 3.123 N/A CYS 255.A N ARG 250.A O no hydrogen 2.872 N/A CYS 255.A SG ARG 250.A O no hydrogen 3.582 N/A ASN 256.A N LEU 251.A O no hydrogen 2.928 N/A ALA 259.A N CYS 255.A O no hydrogen 2.801 N/A TYR 260.A N ASN 256.A O no hydrogen 2.839 N/A ILE 261.A N PRO 257.A O no hydrogen 3.008 N/A ILE 262.A N VAL 258.A O no hydrogen 2.784 N/A GLU 263.A N ALA 259.A O no hydrogen 2.840 N/A GLN 264.A N TYR 260.A O no hydrogen 2.972 N/A ALA 265.A N ILE 261.A O no hydrogen 3.057 N/A ALA 265.A N ILE 262.A O no hydrogen 3.179 N/A GLY 266.A N GLU 263.A O no hydrogen 2.964 N/A GLY 267.A N ILE 262.A O no hydrogen 2.850 N/A LEU 268.A N GLY 293.A O no hydrogen 2.951 N/A THR 270.A N ILE 291.A O no hydrogen 2.702 N/A THR 270.A OG1 GLN 274.A O no hydrogen 3.153 N/A THR 271.A N GLN 274.A O no hydrogen 2.937 N/A THR 271.A OG1 THR 273.A OG1 no hydrogen 3.107 N/A THR 271.A OG1 GLN 274.A O no hydrogen 3.430 N/A GLY 272.A N THR 270.A OG1 no hydrogen 3.060 N/A THR 273.A N THR 271.A OG1 no hydrogen 3.090 N/A THR 273.A OG1 THR 271.A OG1 no hydrogen 3.107 N/A GLN 274.A N THR 271.A OG1 no hydrogen 3.298 N/A VAL 276.A N ALA 269.A O no hydrogen 3.036 N/A ASP 278.A N PRO 275.A O no hydrogen 2.956 N/A VAL 279.A N VAL 276.A O no hydrogen 3.120 N/A LYS 280.A NZ LEU 127.A O no hydrogen 2.695 N/A GLU 282.A N GLN 286.A OE1 no hydrogen 2.662 N/A HIS 285.A ND1 TYR 253.A OH no hydrogen 2.697 N/A HIS 285.A NE2 ASN 73.A O no hydrogen 2.905 N/A HIS 285.A NE2 LYS 74.A O no hydrogen 3.139 N/A GLN 286.A N ALA 283.A O no hydrogen 3.264 N/A ARG 287.A NH1 LYS 248.A O no hydrogen 2.918 N/A VAL 288.A N LEU 249.A O no hydrogen 3.069 N/A LEU 290.A N TYR 238.A O no hydrogen 2.934 N/A ILE 291.A N THR 270.A O no hydrogen 2.853 N/A LEU 292.A N PHE 236.A O no hydrogen 2.928 N/A GLY 293.A N LEU 268.A O no hydrogen 2.856 N/A SER 294.A N GLY 234.A O no hydrogen 2.854 N/A SER 294.A OG LYS 177.A O no hydrogen 2.848 N/A SER 294.A OG GLY 234.A O no hydrogen 3.562 N/A GLU 296.A N LYS 178.A O no hydrogen 2.926 N/A VAL 298.A N SER 294.A O no hydrogen 3.082 N/A GLN 299.A N.A PRO 295.A O no hydrogen 2.851 N/A GLN 299.A N.B PRO 295.A O no hydrogen 2.873 N/A GLU 300.A N GLU 296.A O no hydrogen 3.048 N/A TYR 301.A N ASP 297.A O no hydrogen 2.961 N/A TYR 301.A OH THR 197.A OG1 no hydrogen 3.171 N/A LEU 302.A N VAL 298.A O no hydrogen 2.830 N/A THR 303.A N GLN 299.A O.A no hydrogen 3.102 N/A THR 303.A N GLN 299.A O.B no hydrogen 2.920 N/A THR 303.A OG1 GLN 299.A O.A no hydrogen 3.027 N/A THR 303.A OG1 GLN 299.A O.B no hydrogen 3.150 N/A CYS 304.A N GLU 300.A O no hydrogen 3.253 N/A CYS 304.A SG GLU 300.A O no hydrogen 3.693 N/A VAL 305.A N TYR 301.A O no hydrogen 3.048 N/A GLN 306.A N LEU 302.A O no hydrogen 2.852 N/A LYS 307.A N THR 303.A O no hydrogen 3.061 N/A LYS 307.A NZ GLU 199.A OE2 no hydrogen 3.155 N/A ASN 308.A N CYS 304.A O no hydrogen 3.254 N/A ASN 308.A N VAL 305.A O no hydrogen 3.280 N/A ASN 308.A ND2 GLU 199.A OE1 no hydrogen 2.764 N/A ASN 308.A ND2 CYS 304.A O no hydrogen 2.849 N/A