Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ARG 94.A O no hydrogen 2.683 N/A SER 2.A OG GLN 66.A OE1 no hydrogen 2.430 N/A ARG 3.A N SER 67.A O no hydrogen 2.981 N/A ARG 3.A NH1 ASP 72.A OD1 no hydrogen 3.068 N/A ARG 3.A NH2 ASP 72.A OD1 no hydrogen 3.291 N/A HIS 4.A N ILE 92.A O no hydrogen 2.837 N/A SER 5.A N LEU 65.A O no hydrogen 2.791 N/A LEU 7.A N LEU 63.A O no hydrogen 2.899 N/A ASP 8.A N LYS 87.A O no hydrogen 2.924 N/A PHE 9.A N VAL 61.A O no hydrogen 2.794 N/A MET 10.A N ARG 85.A O no hydrogen 2.769 N/A LEU 11.A N GLY 59.A O no hydrogen 2.596 N/A LEU 15.A N GLU 12.A OE2 no hydrogen 3.031 N/A LYS 16.A N GLU 12.A O no hydrogen 3.159 N/A GLY 17.A N THR 13.A O no hydrogen 3.114 N/A LEU 18.A N ILE 14.A O no hydrogen 3.119 N/A LEU 18.A N LEU 15.A O no hydrogen 3.381 N/A GLN 19.A N LEU 15.A O no hydrogen 2.935 N/A ILE 21.A N LEU 18.A O no hydrogen 2.889 N/A PHE 22.A N GLN 19.A O no hydrogen 3.252 N/A GLN 23.A N GLN 19.A O no hydrogen 3.187 N/A GLU 24.A N SER 20.A O no hydrogen 3.093 N/A GLY 26.A N GLN 23.A O no hydrogen 2.983 N/A MET 27.A N PHE 22.A O no hydrogen 3.063 N/A ALA 28.A N THR 44.A O no hydrogen 3.068 N/A SER 30.A N THR 42.A O no hydrogen 2.735 N/A HIS 32.A N LEU 40.A O no hydrogen 2.802 N/A TRP 34.A N GLY 38.A O no hydrogen 2.783 N/A TYR 39.A N ILE 55.A O no hydrogen 2.967 N/A LEU 40.A N HIS 32.A O no hydrogen 2.815 N/A ALA 41.A N LEU 53.A O no hydrogen 2.734 N/A THR 42.A N SER 30.A O no hydrogen 2.796 N/A THR 42.A OG1 ASN 52.A OD1 no hydrogen 2.800 N/A TYR 43.A N ALA 51.A O no hydrogen 2.789 N/A TYR 43.A OH GLU 29.A OE2 no hydrogen 2.560 N/A THR 44.A N ALA 28.A O no hydrogen 2.863 N/A ASN 45.A N SER 49.A O no hydrogen 2.861 N/A ASN 47.A N ASN 45.A OD1 no hydrogen 3.185 N/A GLY 48.A N ASN 45.A O no hydrogen 2.975 N/A SER 49.A N ASN 47.A OD1 no hydrogen 3.010 N/A SER 49.A OG ASN 47.A OD1 no hydrogen 2.805 N/A PHE 50.A N GLN 66.A O no hydrogen 3.081 N/A ALA 51.A N TYR 43.A O no hydrogen 2.871 N/A ASN 52.A N ASP 64.A O no hydrogen 2.929 N/A LEU 53.A N ALA 41.A O no hydrogen 2.707 N/A ARG 54.A N LEU 62.A O no hydrogen 2.868 N/A ARG 54.A NH1 HIS 37.A O no hydrogen 2.767 N/A ARG 54.A NH1 TYR 39.A O no hydrogen 3.135 N/A ARG 54.A NH2 HIS 37.A O no hydrogen 2.790 N/A ILE 55.A N TYR 39.A O no hydrogen 2.796 N/A TYR 56.A N LEU 60.A O no hydrogen 2.819 N/A VAL 61.A N PHE 9.A O no hydrogen 2.952 N/A LEU 62.A N ARG 54.A O no hydrogen 2.888 N/A LEU 63.A N LEU 7.A O no hydrogen 2.772 N/A ASP 64.A N ASN 52.A O no hydrogen 3.035 N/A LEU 65.A N SER 5.A O no hydrogen 2.827 N/A GLN 66.A N PHE 50.A O no hydrogen 2.894 N/A SER 67.A N ARG 3.A O no hydrogen 3.144 N/A SER 73.A N GLU 69.A O no hydrogen 3.043 N/A ILE 74.A N GLU 70.A O no hydrogen 3.064 N/A LEU 75.A N ILE 71.A O no hydrogen 2.977 N/A ASN 76.A N ASP 72.A O no hydrogen 2.959 N/A LYS 77.A N SER 73.A O no hydrogen 2.818 N/A VAL 78.A N ILE 74.A O no hydrogen 2.804 N/A GLU 79.A N LEU 75.A O no hydrogen 3.012 N/A GLU 80.A N ASN 76.A O no hydrogen 3.060 N/A ARG 81.A N LYS 77.A O no hydrogen 2.961 N/A ARG 81.A NH1 GLY 17.A O no hydrogen 2.483 N/A MET 82.A N VAL 78.A O no hydrogen 2.905 N/A LYS 83.A N GLU 79.A O no hydrogen 3.180 N/A GLU 84.A N GLU 80.A O no hydrogen 3.401 N/A LYS 87.A N ASP 8.A O no hydrogen 2.819 N/A ARG 88.A NH1 ASN 76.A OD1 no hydrogen 2.868 N/A ARG 88.A NH1 GLU 79.A OE2 no hydrogen 2.693 N/A ARG 88.A NH2 ASP 72.A O no hydrogen 3.373 N/A ARG 88.A NH2 ASN 76.A OD1 no hydrogen 3.355 N/A ILE 92.A N HIS 4.A O no hydrogen 2.885 N/A VAL 93.A N TYR 101.A OH no hydrogen 3.163 N/A ARG 94.A N SER 2.A O no hydrogen 2.717 N/A ARG 100.A NE GLU 111.A OE2 no hydrogen 2.759 N/A ARG 100.A NH1 ILE 114.A O no hydrogen 2.967 N/A ARG 100.A NH2 GLU 111.A OE2 no hydrogen 3.001 N/A TYR 101.A N ASP 99.A OD1 no hydrogen 3.050 N/A TRP 102.A N VAL 110.A O no hydrogen 3.352 N/A TRP 102.A NE1 ASP 99.A O no hydrogen 3.010 N/A THR 104.A N ARG 108.A O no hydrogen 2.983 N/A THR 104.A OG1 ASP 106.A OD1 no hydrogen 2.427 N/A ALA 105.A N GLU 323.A OE2 no hydrogen 2.646 N/A GLY 107.A N THR 104.A O no hydrogen 2.784 N/A ARG 108.A N THR 104.A OG1 no hydrogen 2.882 N/A ARG 108.A NE ASP 106.A OD1 no hydrogen 3.220 N/A ARG 108.A NE ASP 106.A OD2 no hydrogen 3.067 N/A ARG 108.A NH2 LEU 322.A O no hydrogen 3.223 N/A TYR 112.A N ARG 100.A O no hydrogen 2.937 N/A TYR 112.A OH SER 320.A O no hydrogen 2.605 N/A ILE 114.A N TYR 112.A O no hydrogen 2.960 N/A ASP 115.A N HIS 132.A O no hydrogen 3.001 N/A VAL 118.A N ILE 130.A O no hydrogen 2.873 N/A TYR 119.A N ILE 130.A O no hydrogen 3.201 N/A GLU 121.A N ILE 128.A O no hydrogen 2.995 N/A SER 123.A N GLN 126.A O no hydrogen 3.006 N/A SER 123.A OG GLN 126.A O no hydrogen 3.177 N/A SER 123.A OG ASP 200.A OD2 no hydrogen 2.597 N/A TYR 125.A N SER 123.A OG no hydrogen 2.865 N/A GLN 126.A N SER 123.A OG no hydrogen 3.028 N/A GLN 126.A NE2 ASP 200.A OD2 no hydrogen 2.896 N/A ASN 127.A ND2 ASP 120.A OD1 no hydrogen 3.196 N/A ASN 127.A ND2 ASP 122.A OD1 no hydrogen 2.897 N/A ILE 128.A N GLU 121.A O no hydrogen 2.843 N/A LYS 129.A N ILE 141.A O no hydrogen 2.899 N/A LYS 129.A NZ ASP 120.A OD1 no hydrogen 3.187 N/A LYS 129.A NZ ASP 120.A OD2 no hydrogen 3.514 N/A LYS 129.A NZ ASN 127.A OD1 no hydrogen 2.745 N/A ILE 130.A N TYR 119.A O no hydrogen 2.760 N/A LEU 131.A N ILE 139.A O no hydrogen 3.014 N/A HIS 132.A N GLU 116.A O no hydrogen 2.797 N/A HIS 132.A ND1 ASP 115.A OD1 no hydrogen 2.735 N/A SER 133.A N GLY 137.A O no hydrogen 2.853 N/A SER 133.A OG ASP 113.A OD1 no hydrogen 2.570 N/A SER 133.A OG ASP 113.A OD2 no hydrogen 3.414 N/A LYS 134.A N ASP 113.A O no hydrogen 3.146 N/A LYS 134.A NZ ASP 115.A OD2 no hydrogen 2.816 N/A GLN 135.A N ASP 113.A OD2 no hydrogen 2.883 N/A PHE 136.A N SER 133.A OG no hydrogen 2.767 N/A ASN 138.A N GLU 150.A OE1 no hydrogen 2.988 N/A ILE 139.A N LEU 131.A O no hydrogen 2.808 N/A LEU 140.A N LEU 148.A O no hydrogen 2.669 N/A ILE 141.A N LYS 129.A O no hydrogen 2.836 N/A LEU 142.A N ASP 145.A O no hydrogen 2.911 N/A SER 143.A N ASN 127.A O no hydrogen 2.932 N/A ASP 145.A N LEU 142.A O no hydrogen 3.006 N/A ASN 147.A N LEU 140.A O no hydrogen 2.800 N/A LEU 148.A N LEU 140.A O no hydrogen 3.453 N/A ALA 149.A N ASP 152.A OD2 no hydrogen 2.836 N/A GLU 150.A N ASN 138.A O no hydrogen 2.876 N/A SER 151.A N PHE 136.A O no hydrogen 3.113 N/A SER 151.A OG PHE 136.A O no hydrogen 3.533 N/A SER 151.A OG ASP 152.A OD1 no hydrogen 3.066 N/A ASP 152.A N ALA 149.A O no hydrogen 2.993 N/A TYR 155.A N ASP 152.A O no hydrogen 3.093 N/A TYR 155.A OH ASP 250.A OD1 no hydrogen 2.479 N/A ARG 157.A N LEU 153.A O no hydrogen 2.835 N/A ALA 158.A N ALA 154.A O no hydrogen 3.084 N/A ALA 158.A N TYR 155.A O no hydrogen 3.118 N/A ILE 159.A N TYR 155.A O no hydrogen 2.912 N/A MET 160.A N THR 156.A O no hydrogen 3.158 N/A GLY 161.A N ALA 158.A O no hydrogen 3.048 N/A SER 162.A N ARG 157.A O no hydrogen 2.763 N/A SER 162.A OG GLU 314.A OE1 no hydrogen 2.649 N/A SER 162.A OG GLU 314.A OE2 no hydrogen 3.213 N/A LYS 164.A N GLY 161.A O no hydrogen 3.429 N/A TYR 167.A OH MET 160.A O no hydrogen 2.655 N/A THR 168.A N ASP 166.A OD1 no hydrogen 3.072 N/A THR 168.A OG1 ASP 166.A OD1 no hydrogen 3.331 N/A THR 168.A OG1 LEU 189.A O no hydrogen 3.039 N/A GLY 169.A N LYS 190.A O no hydrogen 3.104 N/A LYS 170.A N TYR 167.A O no hydrogen 3.059 N/A LYS 170.A NZ ASP 166.A O no hydrogen 2.933 N/A ASP 171.A N ASP 245.A OD2 no hydrogen 2.858 N/A VAL 172.A N MET 193.A O no hydrogen 2.759 N/A LEU 173.A N TYR 246.A O no hydrogen 2.995 N/A ILE 174.A N THR 195.A O no hydrogen 2.704 N/A LEU 175.A N ILE 248.A O no hydrogen 2.940 N/A GLY 176.A N VAL 197.A O no hydrogen 2.766 N/A GLY 177.A N ASP 250.A O no hydrogen 3.269 N/A GLY 180.A N GLY 177.A O no hydrogen 2.861 N/A GLY 181.A N ASP 179.A OD2 no hydrogen 2.882 N/A CYS 184.A N GLY 180.A O no hydrogen 3.058 N/A CYS 184.A SG GLY 180.A O no hydrogen 3.188 N/A GLU 185.A N GLY 181.A O no hydrogen 3.046 N/A ILE 186.A N ILE 182.A O no hydrogen 2.874 N/A VAL 187.A N LEU 183.A O no hydrogen 2.690 N/A LYS 188.A N CYS 184.A O no hydrogen 3.276 N/A LEU 189.A N ILE 186.A O no hydrogen 2.745 N/A LYS 190.A N VAL 187.A O no hydrogen 2.977 N/A LYS 192.A N LYS 170.A O no hydrogen 2.898 N/A MET 193.A N LYS 170.A O no hydrogen 3.172 N/A VAL 194.A N CYS 222.A O no hydrogen 2.859 N/A THR 195.A N VAL 172.A O no hydrogen 2.770 N/A MET 196.A N GLN 224.A O no hydrogen 3.066 N/A VAL 197.A N ILE 174.A O no hydrogen 2.832 N/A GLU 198.A N LEU 226.A O no hydrogen 3.022 N/A ASP 200.A N GLU 198.A OE2 no hydrogen 2.781 N/A MET 202.A N ASP 200.A OD1 no hydrogen 2.947 N/A VAL 203.A N ASP 200.A O no hydrogen 3.066 N/A ILE 204.A N ASP 200.A O no hydrogen 3.302 N/A ASP 205.A N GLN 201.A O no hydrogen 2.909 N/A GLY 206.A N MET 202.A O no hydrogen 2.943 N/A CYS 207.A N VAL 203.A O no hydrogen 2.860 N/A CYS 207.A SG VAL 203.A O no hydrogen 3.227 N/A LYS 208.A N ILE 204.A O no hydrogen 2.957 N/A LYS 209.A N ASP 205.A O no hydrogen 3.316 N/A LYS 209.A NZ TYR 210.A OH no hydrogen 3.111 N/A TYR 210.A N GLY 206.A O no hydrogen 2.899 N/A MET 211.A N CYS 207.A O no hydrogen 2.824 N/A ARG 212.A N GLU 150.A OE2 no hydrogen 2.782 N/A ARG 212.A NE LYS 209.A O no hydrogen 3.108 N/A ARG 212.A NH2 LYS 209.A O no hydrogen 3.425 N/A GLY 220.A N TYR 223.A O no hydrogen 2.898 N/A TYR 223.A OH ASN 217.A O no hydrogen 2.632 N/A GLN 224.A N VAL 194.A O no hydrogen 2.967 N/A GLN 224.A NE2 THR 195.A OG1 no hydrogen 3.180 N/A VAL 225.A N LEU 218.A O no hydrogen 2.825 N/A LEU 226.A N MET 196.A O no hydrogen 2.770 N/A ILE 231.A N ASP 229.A OD1 no hydrogen 3.101 N/A LEU 234.A N CYS 230.A O no hydrogen 2.953 N/A LYS 235.A N ILE 231.A O no hydrogen 2.992 N/A ARG 236.A N PRO 232.A O no hydrogen 3.025 N/A ARG 236.A NH1 GLU 240.A OE1 no hydrogen 3.040 N/A TYR 237.A N VAL 233.A O no hydrogen 2.939 N/A ALA 238.A N LEU 234.A O no hydrogen 2.856 N/A LYS 239.A N LYS 235.A O no hydrogen 3.008 N/A GLU 240.A N ARG 236.A O no hydrogen 2.811 N/A GLY 241.A N ALA 238.A O no hydrogen 3.166 N/A ARG 242.A N TYR 237.A O no hydrogen 2.879 N/A PHE 244.A N VAL 275.A O no hydrogen 2.735 N/A TYR 246.A N ASP 171.A O no hydrogen 3.289 N/A TYR 246.A OH GLU 165.A OE1 no hydrogen 2.669 N/A VAL 247.A N LYS 281.A O no hydrogen 3.281 N/A ILE 248.A N LEU 173.A O no hydrogen 2.786 N/A ASN 249.A N PHE 283.A O no hydrogen 2.841 N/A ASN 249.A ND2 TYR 282.A OH no hydrogen 2.896 N/A ASP 250.A N LEU 175.A O no hydrogen 2.903 N/A LEU 251.A N ASN 249.A OD1 no hydrogen 3.065 N/A THR 252.A OG1 VAL 254.A O no hydrogen 2.742 N/A SER 257.A OG SER 259.A O no hydrogen 3.161 N/A PHE 264.A N SER 260.A O no hydrogen 3.124 N/A LEU 265.A N THR 261.A O no hydrogen 3.208 N/A ARG 266.A N TRP 262.A O no hydrogen 2.894 N/A ARG 266.A NH1 ASP 270.A OD2 no hydrogen 2.808 N/A ARG 266.A NH1 ARG 304.A O no hydrogen 3.038 N/A LEU 267.A N GLU 263.A O no hydrogen 2.838 N/A ILE 268.A N PHE 264.A O no hydrogen 3.168 N/A LEU 269.A N LEU 265.A O no hydrogen 2.981 N/A ASP 270.A N ARG 266.A O no hydrogen 2.779 N/A LEU 271.A N LEU 267.A O no hydrogen 2.885 N/A SER 272.A N ILE 268.A O no hydrogen 2.968 N/A SER 272.A OG ILE 268.A O no hydrogen 2.883 N/A MET 273.A N LEU 269.A O no hydrogen 3.002 N/A LYS 274.A N ASP 270.A O no hydrogen 3.000 N/A VAL 275.A N LEU 271.A O no hydrogen 3.068 N/A LEU 276.A N MET 273.A O no hydrogen 3.104 N/A LYS 277.A N PHE 244.A O no hydrogen 2.982 N/A GLN 278.A NE2 LYS 333.A O no hydrogen 3.056 N/A GLY 280.A N LYS 277.A O no hydrogen 2.808 N/A LYS 281.A N ASP 245.A O no hydrogen 3.198 N/A LYS 281.A NZ GLU 165.A OE2 no hydrogen 2.918 N/A TYR 282.A N VAL 330.A O no hydrogen 2.810 N/A PHE 283.A N VAL 247.A O no hydrogen 2.958 N/A THR 284.A N TYR 328.A O no hydrogen 3.060 N/A THR 284.A OG1 ASN 249.A O no hydrogen 2.988 N/A THR 284.A OG1 GLN 285.A O no hydrogen 3.302 N/A GLY 286.A N VAL 326.A O no hydrogen 2.829 N/A CYS 288.A N ASN 287.A OD1 no hydrogen 2.925 N/A CYS 288.A SG GLU 323.A OE1 no hydrogen 2.997 N/A VAL 289.A N LEU 324.A O no hydrogen 3.128 N/A ASN 290.A ND2 ASP 106.A OD2 no hydrogen 3.133 N/A LEU 291.A N CYS 288.A O no hydrogen 2.984 N/A LEU 295.A N LEU 291.A O no hydrogen 2.976 N/A SER 296.A N THR 292.A O no hydrogen 3.124 N/A LEU 297.A N GLU 293.A O no hydrogen 2.828 N/A TYR 298.A N ALA 294.A O no hydrogen 2.908 N/A GLU 299.A N LEU 295.A O no hydrogen 2.874 N/A GLU 300.A N SER 296.A O no hydrogen 3.033 N/A GLY 303.A N GLU 300.A O no hydrogen 3.153 N/A ARG 304.A N GLN 301.A O no hydrogen 2.926 N/A ARG 304.A NH1 GLN 301.A OE1 no hydrogen 2.849 N/A TYR 306.A N ASP 270.A OD1 no hydrogen 2.780 N/A CYS 307.A SG PRO 308.A O no hydrogen 3.898 N/A GLU 310.A N TRP 331.A O no hydrogen 2.789 N/A SER 312.A N THR 329.A O no hydrogen 2.947 N/A LYS 313.A NZ GLU 299.A OE2 no hydrogen 2.662 N/A GLU 314.A N PHE 327.A O no hydrogen 3.014 N/A VAL 316.A N TRP 325.A O no hydrogen 2.848 N/A SER 320.A N ASP 152.A OD1 no hydrogen 3.038 N/A SER 320.A OG ASP 152.A OD1 no hydrogen 3.536 N/A SER 320.A OG ASP 152.A OD2 no hydrogen 2.496 N/A TYR 321.A N VAL 318.A O no hydrogen 2.965 N/A TYR 321.A OH ASN 147.A O no hydrogen 2.729 N/A TRP 325.A N VAL 316.A O no hydrogen 3.093 N/A VAL 326.A N ASN 287.A O no hydrogen 2.760 N/A PHE 327.A N GLU 314.A O no hydrogen 2.823 N/A TYR 328.A N THR 284.A O no hydrogen 2.948 N/A TYR 328.A OH GLU 299.A OE2 no hydrogen 2.605 N/A THR 329.A N SER 312.A O no hydrogen 2.885 N/A VAL 330.A N TYR 282.A O no hydrogen 2.835 N/A TRP 331.A N GLU 310.A O no hydrogen 3.011 N/A TRP 331.A NE1 GLU 310.A OE1 no hydrogen 2.717 N/A LYS 332.A NZ MET 273.A O no hydrogen 2.901 N/A LYS 332.A NZ LEU 276.A O no hydrogen 2.681 N/A LYS 332.A NZ TYR 306.A OH no hydrogen 3.021 N/A LYS 333.A N PRO 308.A O no hydrogen 2.955 N/A