Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mdb_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASN 8.A OD1 no hydrogen 2.702 N/A ASN 8.A ND2 SER 3.A O no hydrogen 2.558 N/A LEU 9.A N SER 3.A OG no hydrogen 3.013 N/A TYR 10.A OH GLN 12.A OE1 no hydrogen 3.314 N/A PHE 11.A N HIS 1.A O no hydrogen 3.248 N/A ARG 18.A NE TRP 78.A O no hydrogen 2.885 N/A ARG 19.A NH1 ARG 74.A O no hydrogen 3.389 N/A ARG 20.A N LYS 16.A O no hydrogen 3.309 N/A ALA 21.A N GLU 17.A O no hydrogen 3.276 N/A VAL 22.A N ARG 18.A O no hydrogen 3.328 N/A LEU 23.A N ARG 19.A O no hydrogen 3.282 N/A GLU 24.A N ARG 20.A O no hydrogen 3.033 N/A LEU 25.A N ALA 21.A O no hydrogen 3.140 N/A LEU 26.A N LEU 23.A O no hydrogen 3.017 N/A GLN 27.A N GLU 24.A O no hydrogen 3.029 N/A ARG 28.A N LEU 25.A O no hydrogen 3.003 N/A ARG 28.A NH1 ALA 87.A O no hydrogen 2.629 N/A ASN 31.A N ARG 28.A O no hydrogen 3.283 N/A ASN 31.A ND2 LEU 25.A O no hydrogen 3.022 N/A CYS 34.A N ALA 39.A O no hydrogen 2.670 N/A ALA 35.A N PHE 52.A O no hydrogen 2.892 N/A GLY 38.A N CYS 34.A O no hydrogen 3.226 N/A ASP 41.A N ALA 32.A O no hydrogen 3.058 N/A TRP 44.A N ILE 53.A O no hydrogen 2.852 N/A ALA 45.A N LYS 71.A O no hydrogen 3.058 N/A SER 46.A N VAL 51.A O no hydrogen 3.053 N/A SER 46.A OG SER 68.A OG no hydrogen 2.625 N/A TYR 47.A N LYS 69.A O no hydrogen 2.942 N/A THR 48.A OG1 VAL 67.A O no hydrogen 2.626 N/A LEU 49.A N SER 46.A OG no hydrogen 3.233 N/A VAL 51.A N SER 46.A O no hydrogen 3.258 N/A PHE 52.A N ASN 91.A OD1 no hydrogen 2.658 N/A ILE 53.A N TRP 44.A O no hydrogen 2.854 N/A SER 58.A N CYS 54.A O no hydrogen 2.909 N/A SER 58.A OG CYS 54.A O no hydrogen 3.145 N/A SER 58.A OG LEU 55.A O no hydrogen 2.310 N/A GLY 59.A N LEU 55.A O no hydrogen 3.171 N/A HIS 61.A N CYS 57.A O no hydrogen 3.004 N/A HIS 61.A ND1 SER 68.A OG no hydrogen 2.511 N/A HIS 61.A NE2 ASP 36.A OD2 no hydrogen 2.913 N/A ARG 62.A N SER 58.A O no hydrogen 3.166 N/A ARG 62.A N GLY 59.A O no hydrogen 3.123 N/A ASN 63.A N ILE 60.A O no hydrogen 3.221 N/A ILE 64.A N HIS 61.A O no hydrogen 3.144 N/A VAL 67.A N ILE 64.A O no hydrogen 2.773 N/A SER 68.A N ILE 64.A O no hydrogen 2.744 N/A SER 68.A OG SER 46.A OG no hydrogen 2.625 N/A SER 68.A OG HIS 61.A ND1 no hydrogen 2.511 N/A LYS 71.A N ALA 45.A O no hydrogen 3.003 N/A LYS 71.A NZ ALA 77.A O no hydrogen 2.833 N/A LYS 71.A NZ GLN 82.A OE1 no hydrogen 2.720 N/A SER 72.A N ASP 76.A OD2 no hydrogen 2.733 N/A VAL 73.A N ASP 43.A O no hydrogen 3.341 N/A ARG 74.A N SER 72.A OG no hydrogen 3.410 N/A LEU 75.A N SER 72.A OG no hydrogen 3.221 N/A TRP 78.A NE1 SER 72.A O no hydrogen 3.002 N/A GLU 79.A N GLN 82.A OE1 no hydrogen 2.893 N/A GLN 82.A N GLU 79.A O no hydrogen 3.103 N/A VAL 83.A N GLU 79.A O no hydrogen 3.311 N/A GLU 84.A N GLU 80.A O no hydrogen 3.133 N/A PHE 85.A N ALA 81.A O no hydrogen 3.076 N/A PHE 85.A N GLN 82.A O no hydrogen 3.247 N/A MET 86.A N GLN 82.A O no hydrogen 3.275 N/A ALA 87.A N VAL 83.A O no hydrogen 2.867 N/A SER 88.A N GLU 84.A O no hydrogen 2.879 N/A SER 88.A OG GLU 84.A O no hydrogen 3.245 N/A SER 88.A OG PHE 85.A O no hydrogen 3.226 N/A SER 88.A OG HIS 89.A ND1 no hydrogen 2.830 N/A HIS 89.A N MET 86.A O no hydrogen 3.175 N/A HIS 89.A ND1 PHE 85.A O no hydrogen 2.573 N/A GLY 90.A N GLY 50.A O no hydrogen 2.784 N/A ASN 91.A N ASN 31.A OD1 no hydrogen 3.085 N/A ASN 91.A ND2 PHE 52.A O no hydrogen 3.056 N/A ALA 94.A N GLY 90.A O no hydrogen 3.164 N/A ARG 95.A N ASN 91.A O no hydrogen 2.974 N/A ARG 95.A NH2 GLY 30.A O no hydrogen 3.062 N/A ARG 95.A NH2 ASP 92.A OD1 no hydrogen 2.706 N/A ALA 96.A N ASP 92.A O no hydrogen 3.287 N/A ARG 97.A N ALA 93.A O no hydrogen 3.044 N/A PHE 98.A N ALA 94.A O no hydrogen 2.686 N/A GLU 99.A N ARG 95.A O no hydrogen 2.809 N/A LYS 101.A N PHE 131.A O no hydrogen 2.881 N/A TYR 106.A N PRO 103.A O no hydrogen 2.834 N/A TYR 107.A N ASN 233.A OD1 no hydrogen 2.957 N/A TYR 107.A OH ASP 113.A OD1 no hydrogen 3.029 N/A TYR 107.A OH ASP 113.A OD2 no hydrogen 2.784 N/A ARG 108.A NH1 GLU 99.A OE2 no hydrogen 2.585 N/A THR 110.A N ASP 113.A OD2 no hydrogen 2.772 N/A THR 110.A OG1 ASP 113.A OD2 no hydrogen 3.001 N/A ASP 113.A N THR 110.A O no hydrogen 3.127 N/A GLN 115.A NE2 GLU 119.A OE1 no hydrogen 2.766 N/A ARG 118.A N CYS 114.A O no hydrogen 3.389 N/A ARG 118.A NE ASP 113.A O no hydrogen 2.716 N/A ARG 118.A NH2 ASP 113.A O no hydrogen 3.348 N/A GLU 119.A N GLN 115.A O no hydrogen 2.834 N/A GLN 120.A N LEU 116.A O no hydrogen 2.930 N/A TRP 121.A N LEU 117.A O no hydrogen 3.109 N/A ILE 122.A N ARG 118.A O no hydrogen 3.234 N/A ARG 123.A N GLU 119.A O no hydrogen 2.793 N/A ARG 123.A NE GLU 119.A OE2 no hydrogen 2.866 N/A ARG 123.A NH1 GLU 127.A OE1 no hydrogen 2.991 N/A ALA 124.A N GLN 120.A O no hydrogen 3.034 N/A LYS 125.A N TRP 121.A O no hydrogen 3.155 N/A LYS 125.A NZ ASP 36.A OD1 no hydrogen 2.779 N/A LYS 125.A NZ GLU 99.A OE1 no hydrogen 2.944 N/A LYS 125.A NZ TYR 126.A OH no hydrogen 3.467 N/A TYR 126.A N ILE 122.A O no hydrogen 3.039 N/A TYR 126.A OH ASP 36.A OD1 no hydrogen 2.572 N/A GLU 127.A N ARG 123.A O no hydrogen 2.909 N/A ARG 128.A N ARG 123.A O no hydrogen 2.844 N/A ARG 128.A NE GLU 130.A OE2 no hydrogen 3.246 N/A ARG 128.A NH1 GLN 120.A OE1 no hydrogen 2.698 N/A ARG 128.A NH2 GLN 120.A OE1 no hydrogen 3.153 N/A ARG 128.A NH2 GLU 130.A OE2 no hydrogen 2.956 N/A GLU 130.A N ALA 124.A O no hydrogen 2.814 N/A ILE 132.A N GLN 129.A O no hydrogen 3.145 N/A GLU 135.A N GLU 135.A OE2 no hydrogen 2.775 N/A LYS 136.A N TYR 133.A O no hydrogen 2.940 N/A GLN 137.A N PRO 134.A O no hydrogen 2.947 N/A GLN 137.A NE2 LYS 101.A O no hydrogen 2.828 N/A GLN 137.A NE2 GLU 130.A O no hydrogen 2.879 N/A GLU 138.A N GLU 135.A O no hydrogen 3.308 N/A TYR 140.A N GLN 137.A O no hydrogen 3.166 N/A TYR 140.A OH GLU 130.A OE1 no hydrogen 2.495 N/A SER 141.A N GLU 138.A O no hydrogen 3.201 N/A SER 141.A OG GLN 137.A O no hydrogen 2.792 N/A ALA 142.A N GLU 138.A O no hydrogen 3.194 N/A TYR 144.A OH GLU 146.A OE1 no hydrogen 2.404 N/A ARG 145.A N LEU 166.A O no hydrogen 2.978 N/A ARG 145.A NH2 GLU 227.A O no hydrogen 3.203 N/A ARG 145.A NH2 GLU 227.A OE1 no hydrogen 2.676 N/A GLY 147.A N PHE 164.A O no hydrogen 2.958 N/A LEU 149.A N ARG 162.A O no hydrogen 3.130 N/A TRP 150.A N TYR 221.A O no hydrogen 2.994 N/A TRP 150.A NE1 GLU 223.A OE2 no hydrogen 2.677 N/A LYS 151.A N LEU 160.A O no hydrogen 2.918 N/A LYS 151.A NZ ARG 152.A O no hydrogen 3.038 N/A ARG 152.A N PHE 219.A O no hydrogen 2.943 N/A ARG 152.A NE LEU 291.A O no hydrogen 3.100 N/A GLY 153.A N GLN 158.A O no hydrogen 2.740 N/A GLN 158.A N ASN 156.A OD1 no hydrogen 2.633 N/A LEU 160.A N LYS 151.A O no hydrogen 2.804 N/A ARG 162.A N LEU 149.A O no hydrogen 3.362 N/A ARG 162.A NH1 SER 161.A O no hydrogen 2.741 N/A LYS 163.A NZ GLU 146.A OE2 no hydrogen 3.110 N/A PHE 164.A N GLY 147.A O no hydrogen 2.765 N/A VAL 165.A N LYS 174.A O no hydrogen 2.847 N/A LEU 166.A N ARG 145.A O no hydrogen 2.693 N/A THR 167.A N ALA 172.A O no hydrogen 3.012 N/A GLU 168.A N GLY 143.A O no hydrogen 2.925 N/A GLU 170.A N THR 167.A OG1 no hydrogen 3.231 N/A GLY 171.A N THR 167.A O no hydrogen 2.757 N/A ALA 172.A N THR 167.A O no hydrogen 3.027 N/A LEU 173.A N MET 185.A O no hydrogen 3.023 N/A LYS 174.A N VAL 165.A O no hydrogen 2.960 N/A LYS 174.A NZ GLU 170.A OE1 no hydrogen 2.729 N/A LYS 174.A NZ GLU 170.A OE2 no hydrogen 3.136 N/A TYR 175.A N ALA 183.A O no hydrogen 3.086 N/A PHE 176.A N LYS 163.A O no hydrogen 3.046 N/A ALA 183.A N TYR 175.A O no hydrogen 3.339 N/A MET 185.A N LEU 173.A O no hydrogen 2.702 N/A ILE 187.A N GLY 171.A O no hydrogen 2.819 N/A HIS 189.A N LYS 186.A O no hydrogen 2.972 N/A LEU 190.A N ILE 187.A O no hydrogen 3.282 N/A ASN 191.A N THR 208.A O no hydrogen 3.055 N/A ASN 191.A ND2 ARG 261.A O no hydrogen 2.789 N/A THR 193.A N GLN 206.A O no hydrogen 2.818 N/A THR 193.A OG1 ASN 262.A OD1 no hydrogen 2.622 N/A GLN 195.A N GLY 204.A O no hydrogen 2.951 N/A LYS 198.A NZ GLN 206.A OE1 no hydrogen 2.835 N/A LYS 198.A NZ GLU 266.A OE1 no hydrogen 3.241 N/A LYS 198.A NZ GLU 266.A OE2 no hydrogen 2.746 N/A ILE 199.A N GLN 195.A O no hydrogen 3.085 N/A GLY 200.A N ALA 197.A O no hydrogen 3.264 N/A HIS 201.A N PRO 196.A O no hydrogen 3.013 N/A HIS 203.A N HIS 201.A ND1 no hydrogen 3.045 N/A HIS 203.A ND1 HIS 222.A O no hydrogen 2.486 N/A GLY 204.A N HIS 201.A O no hydrogen 2.988 N/A LEU 205.A N ILE 220.A O no hydrogen 2.738 N/A GLN 206.A N THR 193.A O no hydrogen 2.796 N/A VAL 207.A N ILE 218.A O no hydrogen 2.889 N/A THR 208.A N ASN 191.A O no hydrogen 2.936 N/A TYR 209.A N ARG 216.A O no hydrogen 3.202 N/A SER 214.A N LYS 211.A O no hydrogen 3.185 N/A ARG 216.A N TYR 209.A O no hydrogen 2.906 N/A ARG 216.A NE ASN 217.A O no hydrogen 3.119 N/A ASN 217.A N ALA 293.A O no hydrogen 2.784 N/A ASN 217.A ND2 ASP 292.A O no hydrogen 3.368 N/A ILE 218.A N VAL 207.A O no hydrogen 2.871 N/A ILE 220.A N LEU 205.A O no hydrogen 2.904 N/A TYR 221.A N TRP 150.A O no hydrogen 2.939 N/A ASP 224.A N HIS 222.A ND1 no hydrogen 2.963 N/A LYS 226.A NZ ASP 230.A OD2 no hydrogen 2.613 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.126 N/A ILE 228.A N ASP 224.A O no hydrogen 3.484 N/A VAL 229.A N GLY 225.A O no hydrogen 3.164 N/A ASP 230.A N LYS 226.A O no hydrogen 2.812 N/A TRP 231.A N GLU 227.A O no hydrogen 2.824 N/A PHE 232.A N ILE 228.A O no hydrogen 2.760 N/A ASN 233.A N VAL 229.A O no hydrogen 2.866 N/A ASN 233.A ND2 VAL 229.A O no hydrogen 3.160 N/A ALA 234.A N ASP 230.A O no hydrogen 2.697 N/A LEU 235.A N TRP 231.A O no hydrogen 2.991 N/A ARG 236.A N PHE 232.A O no hydrogen 3.136 N/A ARG 236.A NE PHE 105.A O no hydrogen 2.776 N/A ARG 236.A NH1 SER 260.A OG no hydrogen 2.919 N/A ARG 236.A NH2 PHE 105.A O no hydrogen 3.458 N/A ALA 237.A N ASN 233.A O no hydrogen 2.748 N/A ALA 238.A N ALA 234.A O no hydrogen 2.774 N/A ARG 239.A N LEU 235.A O no hydrogen 2.937 N/A ARG 239.A NE LEU 259.A O no hydrogen 2.800 N/A ARG 239.A NH1 ILE 187.A O no hydrogen 3.202 N/A ARG 239.A NH2 LYS 258.A O no hydrogen 3.172 N/A ARG 239.A NH2 LEU 259.A O no hydrogen 3.523 N/A PHE 240.A N ARG 236.A O no hydrogen 2.909 N/A HIS 241.A N ALA 237.A O no hydrogen 2.883 N/A HIS 241.A ND1 GLU 168.A OE1 no hydrogen 2.785 N/A TYR 242.A N ALA 238.A O no hydrogen 2.989 N/A LEU 243.A N ARG 239.A O no hydrogen 2.729 N/A GLN 244.A N PHE 240.A O no hydrogen 2.846 N/A GLN 244.A NE2 ASP 252.A OD1 no hydrogen 3.434 N/A VAL 245.A N HIS 241.A O no hydrogen 3.396 N/A ALA 246.A N TYR 242.A O no hydrogen 2.827 N/A PHE 247.A N LEU 243.A O no hydrogen 2.584 N/A ASP 254.A N SER 251.A OG no hydrogen 3.075 N/A LEU 255.A N ASP 252.A O no hydrogen 2.936 N/A VAL 256.A N ASP 252.A O no hydrogen 2.829 N/A LYS 258.A N LEU 255.A O no hydrogen 3.057 N/A LEU 259.A N VAL 256.A O no hydrogen 3.042 N/A SER 260.A OG ALA 192.A O no hydrogen 3.540 N/A ARG 261.A N ASN 191.A OD1 no hydrogen 2.777 N/A LEU 264.A N MET 279.A O no hydrogen 3.191 N/A LYS 265.A NZ GLU 266.A O no hydrogen 3.008 N/A LYS 265.A NZ ASP 338.A OD1 no hydrogen 3.371 N/A GLY 267.A N PHE 277.A O no hydrogen 3.139 N/A MET 269.A N ARG 275.A O no hydrogen 3.133 N/A GLU 270.A N ALA 332.A O no hydrogen 2.847 N/A LYS 271.A N ARG 273.A O no hydrogen 2.669 N/A ARG 273.A N LYS 271.A O no hydrogen 2.756 N/A ARG 275.A N MET 269.A O no hydrogen 3.131 N/A TRP 276.A N PHE 287.A O no hydrogen 2.921 N/A PHE 277.A N GLY 267.A O no hydrogen 3.066 N/A THR 278.A N MET 285.A O no hydrogen 3.169 N/A THR 278.A OG1 GLU 266.A OE2 no hydrogen 2.833 N/A MET 279.A N LYS 265.A O no hydrogen 2.962 N/A ARG 282.A N ASP 280.A O no hydrogen 2.598 N/A ARG 282.A NE GLU 358.A OE2 no hydrogen 3.060 N/A ARG 282.A NH1 ILE 301.A O no hydrogen 2.792 N/A ARG 282.A NH1 GLY 302.A O no hydrogen 2.863 N/A ARG 282.A NH1 ALA 349.A O no hydrogen 3.118 N/A ARG 282.A NH2 ALA 349.A O no hydrogen 3.528 N/A ARG 282.A NH2 ARG 352.A O no hydrogen 3.299 N/A ARG 283.A N ASP 280.A O no hydrogen 3.194 N/A LEU 284.A N VAL 299.A O no hydrogen 3.018 N/A MET 285.A N THR 278.A O no hydrogen 3.130 N/A TYR 286.A N GLY 297.A O no hydrogen 3.094 N/A PHE 287.A N TRP 276.A O no hydrogen 2.932 N/A LYS 288.A N ASP 292.A OD2 no hydrogen 3.008 N/A ASP 289.A N ASP 292.A OD1 no hydrogen 3.292 N/A ASP 289.A N ASP 292.A OD2 no hydrogen 3.293 N/A LEU 291.A N ASP 289.A OD2 no hydrogen 3.196 N/A ASP 292.A N ASP 289.A O no hydrogen 3.440 N/A ARG 296.A N TYR 286.A O no hydrogen 2.934 N/A ILE 301.A N ARG 282.A O no hydrogen 3.029 N/A LYS 304.A N VAL 350.A O no hydrogen 2.635 N/A SER 306.A N SER 303.A O no hydrogen 3.028 N/A SER 306.A OG SER 306.A O no hydrogen 2.547 N/A GLY 307.A N LYS 304.A O no hydrogen 3.366 N/A TYR 308.A N SER 303.A O no hydrogen 3.001 N/A TYR 308.A OH GLU 362.A OE1 no hydrogen 3.095 N/A THR 309.A N VAL 323.A O no hydrogen 2.941 N/A LEU 311.A N THR 321.A O no hydrogen 2.629 N/A GLY 313.A N GLY 319.A O no hydrogen 2.686 N/A HIS 318.A N CYS 333.A O no hydrogen 3.447 N/A ILE 320.A N PHE 331.A O no hydrogen 2.789 N/A THR 321.A N LEU 311.A O no hydrogen 2.577 N/A ILE 322.A N PHE 329.A O no hydrogen 2.796 N/A VAL 323.A N THR 309.A O no hydrogen 2.673 N/A THR 324.A N ARG 327.A O no hydrogen 3.121 N/A THR 324.A OG1 ARG 327.A O no hydrogen 2.447 N/A ARG 327.A N THR 324.A OG1 no hydrogen 3.150 N/A PHE 329.A N ILE 322.A O no hydrogen 3.307 N/A PHE 331.A N ILE 320.A O no hydrogen 2.916 N/A ALA 332.A N GLU 270.A O no hydrogen 3.072 N/A CYS 333.A N HIS 318.A O no hydrogen 2.773 N/A ASP 338.A N THR 335.A OG1 no hydrogen 2.893 N/A GLN 339.A N THR 335.A O no hydrogen 3.195 N/A GLN 339.A NE2 GLY 319.A O no hydrogen 2.614 N/A ARG 340.A N GLU 336.A O no hydrogen 2.806 N/A GLU 341.A N SER 337.A O no hydrogen 3.273 N/A TRP 342.A N ASP 338.A O no hydrogen 2.767 N/A VAL 343.A N GLN 339.A O no hydrogen 3.023 N/A ALA 344.A N ARG 340.A O no hydrogen 3.038 N/A ALA 345.A N GLU 341.A O no hydrogen 2.868 N/A PHE 346.A N TRP 342.A O no hydrogen 3.095 N/A GLN 347.A N VAL 343.A O no hydrogen 2.890 N/A LYS 348.A N ALA 344.A O no hydrogen 3.320 N/A ALA 349.A N PHE 346.A O no hydrogen 2.913 N/A VAL 350.A N PHE 346.A O no hydrogen 3.237 N/A ASP 351.A N GLN 347.A O no hydrogen 3.020 N/A ARG 352.A N LYS 348.A O no hydrogen 3.458 N/A ARG 352.A NH1 ASP 281.A OD1 no hydrogen 2.828 N/A ARG 352.A NH2 ASP 281.A OD1 no hydrogen 3.480 N/A LEU 355.A N GLU 358.A OE1 no hydrogen 3.161 N/A TYR 359.A N LEU 355.A O no hydrogen 3.091 N/A ALA 360.A N PRO 356.A O no hydrogen 3.145 N/A VAL 361.A N GLN 357.A O no hydrogen 2.876 N/A GLU 362.A N GLU 358.A O no hydrogen 2.823 N/A ALA 363.A N TYR 359.A O no hydrogen 2.742 N/A HIS 364.A N VAL 361.A O no hydrogen 3.276 N/A PHE 365.A N VAL 361.A O no hydrogen 3.441 N/A