Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mlk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG LYS 136.A O no hydrogen 3.898 N/A GLY 7.A N GLY 4.A O no hydrogen 3.473 N/A THR 10.A N ALA 18.A O no hydrogen 2.839 N/A LEU 12.A N ASP 16.A O no hydrogen 2.895 N/A ASP 13.A N ASP 16.A O no hydrogen 3.384 N/A SER 15.A N ASP 13.A OD1 no hydrogen 2.943 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 2.974 N/A SER 15.A OG ASP 16.A OD1 no hydrogen 3.021 N/A PHE 17.A N LEU 145.A O no hydrogen 2.982 N/A ALA 18.A N THR 10.A O no hydrogen 2.617 N/A LEU 19.A N VAL 143.A O no hydrogen 2.871 N/A ASP 20.A N PRO 8.A O no hydrogen 2.983 N/A ILE 21.A N VAL 141.A O no hydrogen 2.847 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 3.117 N/A ARG 22.A NH1 GLU 1.A O no hydrogen 2.699 N/A ARG 22.A NH1 CYS 138.A O no hydrogen 3.215 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 2.858 N/A MET 23.A N SER 139.A O no hydrogen 3.130 N/A GLY 25.A N MET 23.A O no hydrogen 2.718 N/A VAL 26.A N ASP 137.A O no hydrogen 2.828 N/A THR 27.A OG1 HIS 135.A O no hydrogen 3.446 N/A THR 33.A OG1 GLU 30.A O no hydrogen 2.490 N/A PHE 35.A N VAL 126.A O no hydrogen 3.012 N/A CYS 36.A N TRP 79.A O no hydrogen 2.827 N/A CYS 36.A SG LEU 124.A O no hydrogen 3.555 N/A MET 37.A N LEU 124.A O no hydrogen 3.216 N/A MET 39.A N PHE 122.A O no hydrogen 2.714 N/A LEU 41.A N LYS 120.A O no hydrogen 3.174 N/A ALA 47.A N VAL 113.A O no hydrogen 3.101 N/A PHE 48.A N THR 146.A O no hydrogen 2.806 N/A VAL 49.A N PHE 111.A O no hydrogen 2.974 N/A ILE 50.A N HIS 144.A O no hydrogen 2.752 N/A LYS 53.A N SER 142.A O no hydrogen 2.641 N/A LYS 53.A NZ ASP 51.A OD1 no hydrogen 3.224 N/A LYS 53.A NZ ASP 51.A OD2 no hydrogen 3.542 N/A LYS 53.A NZ PHE 52.A O no hydrogen 3.420 N/A ARG 55.A N GLY 140.A O no hydrogen 2.762 N/A SER 57.A N SER 139.A OG no hydrogen 3.088 N/A SER 57.A OG ASP 137.A OD2 no hydrogen 3.161 N/A SER 57.A OG SER 139.A OG no hydrogen 2.666 N/A THR 60.A N SER 57.A O no hydrogen 2.710 N/A THR 60.A OG1 SER 57.A O no hydrogen 3.268 N/A VAL 61.A N SER 57.A O no hydrogen 3.157 N/A HIS 62.A N HIS 127.A O no hydrogen 3.209 N/A MET 64.A N TRP 96.A O no hydrogen 3.031 N/A LEU 65.A N GLN 125.A O no hydrogen 2.913 N/A LEU 66.A N TYR 94.A O no hydrogen 2.969 N/A PHE 67.A N VAL 123.A O no hydrogen 2.842 N/A GLY 68.A N ASN 91.A O no hydrogen 2.653 N/A CYS 69.A N TYR 121.A O no hydrogen 3.118 N/A ASN 70.A N ASP 88.A OD2 no hydrogen 2.647 N/A MET 71.A N ASP 88.A OD1 no hydrogen 2.820 N/A SER 73.A N THR 85.A O no hydrogen 2.946 N/A GLY 76.A N SER 74.A OG no hydrogen 3.096 N/A TRP 79.A N CYS 36.A O no hydrogen 2.771 N/A TRP 79.A NE1 GLY 84.A O no hydrogen 2.565 N/A CYS 81.A N TYR 34.A O no hydrogen 3.102 N/A GLU 83.A N PHE 80.A O no hydrogen 2.909 N/A GLY 84.A N CYS 81.A O no hydrogen 2.811 N/A THR 87.A N MET 71.A O no hydrogen 2.712 N/A ASN 91.A N GLY 68.A O no hydrogen 3.002 N/A ASN 91.A ND2 GLY 68.A O no hydrogen 3.463 N/A LEU 93.A N LEU 66.A O no hydrogen 2.860 N/A TYR 94.A N LEU 66.A O no hydrogen 3.494 N/A TRP 96.A N MET 64.A O no hydrogen 2.983 N/A ARG 98.A N HIS 62.A O no hydrogen 3.176 N/A ARG 98.A NE VAL 61.A O no hydrogen 2.895 N/A ALA 100.A N ALA 97.A O no hydrogen 3.390 N/A GLY 110.A N LEU 152.A O no hydrogen 3.078 N/A PHE 111.A N VAL 49.A O no hydrogen 3.125 N/A ARG 112.A NH1 ALA 280.A O no hydrogen 3.538 N/A ARG 112.A NH2 ALA 277.A O no hydrogen 2.840 N/A VAL 113.A N ALA 47.A O no hydrogen 2.712 N/A GLY 114.A N SER 119.A O no hydrogen 2.695 N/A GLY 115.A N ASP 44.A O no hydrogen 3.080 N/A LYS 120.A N ASN 70.A OD1 no hydrogen 2.673 N/A LYS 120.A NZ ASP 44.A O no hydrogen 3.083 N/A LYS 120.A NZ ASP 44.A OD2 no hydrogen 3.385 N/A TYR 121.A N CYS 69.A O no hydrogen 2.812 N/A PHE 122.A N MET 39.A O no hydrogen 2.841 N/A VAL 123.A N PHE 67.A O no hydrogen 3.053 N/A LEU 124.A N MET 37.A O no hydrogen 2.842 N/A GLN 125.A N LEU 65.A O no hydrogen 2.859 N/A VAL 126.A N PHE 35.A O no hydrogen 2.877 N/A HIS 127.A N HIS 63.A O no hydrogen 3.100 N/A HIS 127.A ND1 TYR 34.A OH no hydrogen 2.796 N/A TYR 128.A N THR 33.A O no hydrogen 2.984 N/A TYR 128.A OH ASP 137.A OD1 no hydrogen 2.528 N/A GLY 129.A N THR 60.A O no hydrogen 3.184 N/A ASP 137.A N VAL 26.A O no hydrogen 2.605 N/A CYS 138.A SG MET 23.A O no hydrogen 3.546 N/A SER 139.A N ASP 137.A OD1 no hydrogen 3.284 N/A SER 139.A OG ASP 137.A OD1 no hydrogen 3.155 N/A SER 139.A OG ASP 137.A OD2 no hydrogen 3.442 N/A GLY 140.A N ARG 55.A O no hydrogen 2.895 N/A VAL 141.A N ILE 21.A O no hydrogen 2.955 N/A SER 142.A N LYS 53.A O no hydrogen 2.706 N/A SER 142.A OG ASP 20.A OD1 no hydrogen 2.784 N/A VAL 143.A N LEU 19.A O no hydrogen 2.839 N/A HIS 144.A N ASP 51.A O no hydrogen 2.764 N/A HIS 144.A NE2 ASP 16.A OD2 no hydrogen 2.610 N/A LEU 145.A N PHE 17.A O no hydrogen 3.005 N/A THR 146.A N PHE 48.A O no hydrogen 2.968 N/A THR 146.A OG1 ASP 16.A OD1 no hydrogen 2.834 N/A ARG 147.A N SER 15.A O no hydrogen 3.201 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.349 N/A GLN 150.A NE2 VAL 148.A O no hydrogen 3.143 N/A LEU 152.A N GLY 108.A O no hydrogen 2.931 N/A ILE 153.A N MET 275.A O no hydrogen 2.695 N/A ALA 154.A N GLY 110.A O no hydrogen 2.696 N/A GLY 155.A N TYR 273.A O no hydrogen 2.723 N/A MET 156.A N SER 282.A O no hydrogen 2.877 N/A TYR 157.A N ILE 271.A O no hydrogen 2.826 N/A LEU 158.A N MET 284.A O no hydrogen 2.862 N/A MET 159.A N LEU 269.A O no hydrogen 2.912 N/A MET 160.A N CYS 286.A O no hydrogen 3.142 N/A SER 161.A N CYS 267.A O no hydrogen 3.100 N/A ILE 166.A N THR 256.A O no hydrogen 2.562 N/A GLU 170.A N PRO 167.A O no hydrogen 3.391 N/A VAL 173.A N PHE 247.A O no hydrogen 2.940 N/A ALA 175.A N CYS 245.A O no hydrogen 2.892 N/A ILE 177.A N ALA 243.A O no hydrogen 2.859 N/A SER 178.A N LYS 288.A O no hydrogen 3.074 N/A SER 178.A OG ASN 289.A OD1 no hydrogen 2.858 N/A CYS 179.A N LEU 241.A O no hydrogen 3.016 N/A CYS 179.A SG SER 178.A O no hydrogen 3.194 N/A GLN 180.A NE2 GLY 238.A O no hydrogen 3.300 N/A TYR 181.A N ASP 239.A O no hydrogen 2.739 N/A TYR 181.A OH TYR 184.A O no hydrogen 2.715 N/A MET 186.A N VAL 235.A O no hydrogen 2.938 N/A HIS 187.A N TYR 274.A O no hydrogen 3.030 N/A VAL 188.A N VAL 233.A O no hydrogen 2.889 N/A PHE 189.A N MET 272.A O no hydrogen 2.938 N/A ALA 190.A N MET 272.A O no hydrogen 3.450 N/A TYR 191.A N TYR 227.A O no hydrogen 2.860 N/A TYR 191.A OH ARG 217.A O no hydrogen 3.230 N/A ARG 192.A N TYR 270.A O no hydrogen 2.898 N/A ARG 192.A NE GLN 224.A O no hydrogen 2.781 N/A HIS 194.A N ASN 268.A O no hydrogen 2.712 N/A HIS 194.A ND1 GLN 224.A OE1 no hydrogen 2.654 N/A THR 195.A OG1 MET 266.A O no hydrogen 3.281 N/A HIS 196.A N GLU 265.A OE1 no hydrogen 2.820 N/A HIS 196.A ND1 ASP 264.A O no hydrogen 2.688 N/A LEU 198.A N GLU 265.A OE2 no hydrogen 3.064 N/A GLY 199.A N HIS 196.A O no hydrogen 3.274 N/A LYS 200.A N VAL 246.A O no hydrogen 2.824 N/A LYS 200.A NZ THR 248.A OG1 no hydrogen 3.391 N/A VAL 202.A N GLN 218.A O no hydrogen 2.991 N/A SER 203.A N ARG 244.A O no hydrogen 3.005 N/A GLY 204.A N GLY 216.A O no hydrogen 2.861 N/A TYR 205.A N ALA 242.A O no hydrogen 2.656 N/A TYR 205.A OH GLU 301.A OE2 no hydrogen 2.939 N/A ARG 206.A N THR 213.A O no hydrogen 2.856 N/A ARG 206.A NH1 ASP 234.A O no hydrogen 2.568 N/A ARG 206.A NH2 THR 213.A OG1 no hydrogen 3.072 N/A VAL 207.A N ILE 240.A O no hydrogen 2.790 N/A ARG 208.A N GLN 211.A O no hydrogen 3.090 N/A ARG 208.A NE ASP 239.A OD1 no hydrogen 2.856 N/A ARG 208.A NH1 ASP 234.A OD2 no hydrogen 3.507 N/A ARG 208.A NH2 ASP 234.A OD2 no hydrogen 2.800 N/A ARG 208.A NH2 ASP 239.A OD2 no hydrogen 2.770 N/A GLN 211.A N ARG 208.A O no hydrogen 3.127 N/A TRP 212.A NE1 THR 297.A OG1 no hydrogen 3.320 N/A THR 213.A N ARG 206.A O no hydrogen 2.708 N/A ILE 215.A N GLY 204.A O no hydrogen 2.727 N/A GLY 216.A N GLY 204.A O no hydrogen 3.280 N/A ARG 217.A NE GLU 301.A O no hydrogen 2.718 N/A ARG 217.A NH2 GLU 301.A O no hydrogen 2.918 N/A ARG 217.A NH2 ILE 304.A O no hydrogen 3.029 N/A GLN 218.A N VAL 202.A O no hydrogen 3.067 N/A ASN 219.A N GLN 218.A OE1 no hydrogen 3.216 N/A GLN 221.A N ASN 219.A OD1 no hydrogen 3.007 N/A GLN 221.A NE2 HIS 196.A O no hydrogen 3.081 N/A GLN 221.A NE2 GLY 199.A O no hydrogen 2.638 N/A LEU 222.A N ASN 219.A O no hydrogen 3.148 N/A GLN 224.A NE2 THR 195.A O no hydrogen 3.436 N/A GLN 224.A NE2 PRO 220.A O no hydrogen 3.017 N/A TYR 227.A N TYR 191.A O no hydrogen 2.765 N/A TYR 227.A OH PRO 223.A O no hydrogen 2.880 N/A VAL 229.A N PHE 189.A O no hydrogen 2.907 N/A HIS 231.A N GLU 230.A OE1 no hydrogen 2.615 N/A HIS 231.A ND1 GLU 230.A OE1 no hydrogen 2.959 N/A VAL 235.A N MET 186.A O no hydrogen 3.033 N/A THR 236.A N ASP 239.A OD2 no hydrogen 2.738 N/A GLY 238.A N TYR 181.A O no hydrogen 3.000 N/A ASP 239.A N THR 236.A O no hydrogen 2.725 N/A ILE 240.A N VAL 207.A O no hydrogen 3.022 N/A LEU 241.A N CYS 179.A O no hydrogen 2.782 N/A ALA 242.A N TYR 205.A O no hydrogen 3.111 N/A ALA 243.A N ILE 177.A O no hydrogen 2.899 N/A ARG 244.A N SER 203.A O no hydrogen 3.008 N/A ARG 244.A NE ASP 176.A OD1 no hydrogen 2.845 N/A ARG 244.A NH1 ASN 303.A OD1 no hydrogen 3.293 N/A ARG 244.A NH2 ASP 176.A OD1 no hydrogen 2.989 N/A ARG 244.A NH2 ASP 176.A OD2 no hydrogen 3.143 N/A CYS 245.A N ALA 175.A O no hydrogen 3.041 N/A VAL 246.A N VAL 201.A O no hydrogen 2.922 N/A PHE 247.A N VAL 173.A O no hydrogen 2.764 N/A THR 248.A N LEU 198.A O no hydrogen 3.058 N/A GLY 249.A N GLU 170.A O no hydrogen 2.659 N/A ARG 252.A N GLY 249.A O no hydrogen 3.032 N/A THR 256.A N ILE 166.A O no hydrogen 2.795 N/A HIS 257.A ND1 ILE 258.A O no hydrogen 2.684 N/A GLY 259.A N GLU 265.A O no hydrogen 2.976 N/A THR 261.A N ASP 264.A OD2 no hydrogen 3.255 N/A THR 261.A OG1 ASP 264.A OD2 no hydrogen 2.966 N/A ASP 264.A N THR 261.A O no hydrogen 3.060 N/A GLU 265.A N HIS 257.A O no hydrogen 2.799 N/A MET 266.A N GLU 265.A OE1 no hydrogen 3.344 N/A ASN 268.A N HIS 194.A O no hydrogen 2.839 N/A LEU 269.A N MET 159.A O no hydrogen 2.761 N/A TYR 270.A N ARG 192.A O no hydrogen 2.664 N/A ILE 271.A N TYR 157.A O no hydrogen 3.054 N/A MET 272.A N ALA 190.A O no hydrogen 2.976 N/A TYR 273.A N GLY 155.A O no hydrogen 2.990 N/A TYR 273.A OH LEU 281.A O no hydrogen 2.633 N/A TYR 274.A N HIS 187.A O no hydrogen 2.890 N/A MET 275.A N ILE 153.A O no hydrogen 2.811 N/A ALA 277.A N PRO 151.A O no hydrogen 2.965 N/A TYR 279.A N GLU 276.A O no hydrogen 2.763 N/A ALA 280.A N GLU 276.A O no hydrogen 2.751 N/A MET 284.A N MET 156.A O no hydrogen 2.781 N/A CYS 286.A N LEU 158.A O no hydrogen 2.877 N/A CYS 286.A SG LYS 288.A O no hydrogen 3.693 N/A VAL 290.A N SER 178.A O no hydrogen 3.158 N/A ALA 291.A N SER 178.A OG no hydrogen 2.961 N/A MET 294.A N ALA 291.A O no hydrogen 3.342 N/A PHE 295.A N PRO 292.A O no hydrogen 3.339 N/A ARG 296.A N ASP 293.A O no hydrogen 3.367 N/A ARG 296.A NE ASP 293.A O no hydrogen 3.172 N/A THR 297.A N MET 294.A O no hydrogen 3.249 N/A THR 297.A OG1 MET 294.A O no hydrogen 3.501 N/A ILE 298.A N PHE 295.A O no hydrogen 3.292 N/A ALA 302.A N PRO 299.A O no hydrogen 3.118 N/A ASN 303.A N ALA 300.A O no hydrogen 3.163 N/A ILE 304.A N ALA 300.A O no hydrogen 3.356 N/A