Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mlg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 60.A OE2 no hydrogen 2.700 N/A MET 1.A N GLU 307.A OE1 no hydrogen 3.491 N/A ARG 5.A N VAL 305.A O no hydrogen 2.966 N/A ARG 5.A NH1 VAL 59.A O no hydrogen 2.463 N/A ARG 5.A NH1 GLY 62.A O no hydrogen 3.230 N/A ARG 5.A NH2 GLY 62.A O no hydrogen 2.325 N/A TYR 6.A OH ASP 290.A OD1 no hydrogen 2.604 N/A TYR 12.A N ASP 11.A OD1 no hydrogen 2.775 N/A ALA 14.A N SER 30.A O no hydrogen 2.894 N/A ASP 15.A N HIS 289.A ND1 no hydrogen 3.019 N/A ALA 18.A N SER 276.A OG no hydrogen 3.100 N/A HIS 19.A N TYR 26.A O no hydrogen 2.877 N/A HIS 19.A NE2 ASP 87.A OD1 no hydrogen 2.639 N/A PHE 21.A N LYS 24.A O no hydrogen 2.747 N/A LYS 24.A N PHE 21.A O no hydrogen 2.882 N/A LYS 24.A NZ ASP 57.A OD1 no hydrogen 2.880 N/A LYS 24.A NZ ASP 57.A OD2 no hydrogen 3.289 N/A LEU 25.A N MET 56.A O no hydrogen 3.174 N/A TYR 26.A N HIS 19.A O no hydrogen 2.779 N/A ILE 27.A N PHE 54.A O no hydrogen 2.641 N/A TYR 28.A N ALA 17.A O no hydrogen 2.896 N/A TYR 28.A OH PRO 118.A O no hydrogen 2.707 N/A SER 30.A N ALA 14.A O no hydrogen 2.445 N/A SER 30.A OG ASP 15.A OD2 no hydrogen 2.983 N/A HIS 31.A ND1 ASP 50.A OD2 no hydrogen 3.251 N/A HIS 31.A NE2 ASP 11.A OD1 no hydrogen 3.079 N/A ASP 32.A N TYR 12.A O no hydrogen 2.806 N/A TRP 33.A NE1 ASN 47.A O no hydrogen 2.478 N/A ASN 40.A N HIS 45.A ND1 no hydrogen 3.113 N/A GLY 43.A N ASN 40.A O no hydrogen 3.319 N/A ASP 44.A N ASN 42.A OD1 no hydrogen 3.216 N/A PHE 46.A N GLY 43.A O no hydrogen 3.122 N/A TYR 51.A N LEU 71.A O no hydrogen 2.799 N/A TYR 51.A OH TRP 84.A O no hydrogen 2.483 N/A HIS 52.A ND1 ASP 66.A OD1 no hydrogen 3.370 N/A PHE 54.A N ILE 27.A O no hydrogen 3.176 N/A SER 55.A N THR 65.A O no hydrogen 3.124 N/A SER 55.A OG HIS 67.A NE2 no hydrogen 2.546 N/A MET 56.A N LEU 25.A O no hydrogen 2.882 N/A GLN 61.A N ASP 58.A OD2 no hydrogen 3.151 N/A THR 65.A N SER 55.A O no hydrogen 3.083 N/A HIS 67.A N VAL 53.A O no hydrogen 2.879 N/A HIS 67.A NE2 SER 55.A OG no hydrogen 2.546 N/A GLY 68.A N ASP 66.A OD1 no hydrogen 2.684 N/A VAL 70.A N TYR 51.A O no hydrogen 2.888 N/A THR 73.A N LYS 49.A O no hydrogen 2.981 N/A THR 73.A OG1 GLU 74.A OE2 no hydrogen 3.208 N/A GLU 74.A N GLU 74.A OE2 no hydrogen 2.674 N/A ASP 75.A N ARG 72.A O no hydrogen 2.997 N/A ILE 76.A N THR 73.A O no hydrogen 3.229 N/A ALA 79.A N ILE 76.A O no hydrogen 3.310 N/A ARG 81.A N LYS 102.A O no hydrogen 3.372 N/A ARG 81.A NE ASP 106.A OD1 no hydrogen 2.712 N/A ARG 81.A NE ASP 106.A OD2 no hydrogen 3.447 N/A ARG 81.A NH1 ASP 44.A OD1 no hydrogen 2.962 N/A ARG 81.A NH2 ASP 106.A OD2 no hydrogen 2.972 N/A GLN 82.A NE2 PHE 46.A O no hydrogen 3.252 N/A LEU 83.A N MET 48.A O no hydrogen 3.096 N/A TRP 84.A N PRO 100.A O no hydrogen 3.380 N/A TRP 84.A NE1 PHE 46.A O no hydrogen 3.037 N/A ASP 87.A N TYR 98.A O no hydrogen 3.119 N/A VAL 88.A N ASP 87.A OD1 no hydrogen 2.656 N/A ALA 89.A N TYR 96.A O no hydrogen 3.013 N/A ARG 91.A N LYS 94.A O no hydrogen 2.921 N/A ASN 92.A ND2 GLU 190.A O no hydrogen 2.855 N/A LYS 94.A N ARG 91.A O no hydrogen 2.973 N/A LYS 94.A NZ ASN 92.A O no hydrogen 3.202 N/A TYR 95.A N SER 115.A O no hydrogen 2.951 N/A TYR 96.A N ALA 89.A O no hydrogen 2.792 N/A MET 97.A N ALA 113.A O no hydrogen 2.671 N/A TYR 98.A N ASP 87.A O no hydrogen 2.757 N/A TYR 98.A OH MET 192.A O no hydrogen 2.695 N/A PHE 99.A N GLY 111.A O no hydrogen 3.078 N/A LEU 101.A N ARG 109.A O no hydrogen 2.859 N/A LYS 102.A N ARG 81.A O no hydrogen 3.268 N/A LYS 102.A NZ GLN 82.A OE1 no hydrogen 3.276 N/A ASP 103.A N ILE 107.A O no hydrogen 2.830 N/A ASN 105.A N ASP 103.A OD1 no hydrogen 2.888 N/A ASP 106.A N ASP 103.A O no hydrogen 3.033 N/A ILE 107.A N ASP 103.A OD1 no hydrogen 2.765 N/A PHE 108.A N GLN 158.A OE1 no hydrogen 2.796 N/A ARG 109.A N LEU 101.A O no hydrogen 2.893 N/A ARG 109.A NE ASP 103.A OD2 no hydrogen 3.444 N/A ARG 109.A NH1 SER 132.A O no hydrogen 2.712 N/A ILE 110.A N SER 132.A OG no hydrogen 3.299 N/A GLY 111.A N PHE 99.A O no hydrogen 2.800 N/A ALA 113.A N MET 97.A O no hydrogen 2.840 N/A ILE 114.A N ILE 123.A O no hydrogen 2.886 N/A SER 115.A N TYR 95.A O no hydrogen 3.089 N/A SER 115.A OG ARG 117.A O no hydrogen 2.832 N/A SER 115.A OG PRO 121.A O no hydrogen 3.361 N/A ARG 117.A N SER 115.A OG no hydrogen 3.292 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.513 N/A GLY 120.A N ARG 117.A O no hydrogen 3.214 N/A PHE 122.A N VAL 70.A O no hydrogen 3.214 N/A ILE 123.A N ILE 114.A O no hydrogen 2.832 N/A GLN 125.A N VAL 112.A O no hydrogen 2.784 N/A ILE 129.A N ILE 110.A O no hydrogen 2.812 N/A LYS 130.A N GLU 194.A OE1 no hydrogen 2.777 N/A LYS 130.A NZ GLU 194.A OE2 no hydrogen 3.140 N/A SER 132.A N ILE 129.A O no hydrogen 3.106 N/A SER 132.A OG ILE 129.A O no hydrogen 2.465 N/A TYR 133.A OH ASN 165.A OD1 no hydrogen 2.503 N/A SER 134.A OG GLY 157.A O no hydrogen 2.898 N/A MET 135.A N SER 134.A OG no hydrogen 2.630 N/A CYS 138.A N TYR 150.A O no hydrogen 2.629 N/A ILE 139.A N ASP 87.A OD2 no hydrogen 2.634 N/A TRP 140.A N TYR 148.A O no hydrogen 2.641 N/A TRP 140.A NE1 ASP 142.A OD1 no hydrogen 3.204 N/A ASP 142.A N GLU 146.A O no hydrogen 3.089 N/A LYS 143.A NZ TYR 229.A OH no hydrogen 3.119 N/A ASP 144.A N ASP 142.A OD2 no hydrogen 2.943 N/A GLY 145.A N ASP 142.A O no hydrogen 3.256 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 2.884 N/A TYR 147.A OH PHE 90.A O no hydrogen 2.493 N/A TYR 148.A N TRP 140.A O no hydrogen 2.909 N/A TYR 148.A OH ASP 144.A OD2 no hydrogen 2.441 N/A MET 149.A N VAL 186.A O no hydrogen 2.830 N/A TYR 150.A N CYS 138.A O no hydrogen 2.676 N/A TYR 150.A OH PRO 254.A O no hydrogen 2.962 N/A PHE 151.A N LYS 184.A O no hydrogen 3.009 N/A GLY 152.A N MET 135.A O no hydrogen 2.878 N/A LEU 154.A N PHE 222.A O no hydrogen 2.787 N/A TRP 155.A N GLN 160.A OE1 no hydrogen 2.881 N/A GLY 157.A N LEU 154.A O no hydrogen 3.100 N/A GLN 158.A N TRP 155.A O no hydrogen 3.139 N/A GLN 158.A NE2 ASP 106.A O no hydrogen 3.128 N/A LEU 159.A N GLY 153.A O no hydrogen 3.236 N/A GLN 160.A N GLN 160.A OE1 no hydrogen 2.719 N/A GLN 160.A NE2 TRP 155.A O no hydrogen 2.706 N/A ARG 161.A N GLN 158.A O no hydrogen 3.134 N/A TYR 162.A N LEU 159.A O no hydrogen 3.350 N/A ARG 163.A N LYS 166.A O no hydrogen 2.892 N/A ARG 163.A NH1 GLN 160.A O no hydrogen 3.208 N/A ARG 163.A NH1 TYR 162.A O no hydrogen 3.174 N/A ARG 163.A NH1 LEU 172.A O no hydrogen 3.466 N/A ARG 163.A NH2 LEU 172.A O no hydrogen 2.960 N/A ASN 165.A ND2 PRO 199.A O no hydrogen 2.765 N/A LYS 166.A N ARG 163.A O no hydrogen 3.117 N/A LEU 168.A N ARG 161.A O no hydrogen 2.543 N/A CYS 170.A SG ALA 171.A O no hydrogen 3.627 N/A LEU 172.A N GLN 160.A O no hydrogen 3.278 N/A GLU 175.A N GLU 178.A OE1 no hydrogen 2.931 N/A GLU 178.A N GLU 175.A O no hydrogen 3.168 N/A ALA 180.A N LEU 212.A O no hydrogen 2.828 N/A CYS 182.A SG ALA 180.A O no hydrogen 3.987 N/A LYS 184.A N PHE 151.A O no hydrogen 2.808 N/A LYS 184.A NZ ASP 201.A OD1 no hydrogen 2.343 N/A VAL 185.A N ARG 200.A O no hydrogen 2.950 N/A VAL 186.A N MET 149.A O no hydrogen 3.007 N/A ARG 187.A N GLU 197.A OE2 no hydrogen 3.387 N/A LEU 188.A N TYR 147.A O no hydrogen 2.948 N/A ARG 189.A N GLU 194.A O no hydrogen 3.329 N/A ARG 189.A NE ASP 191.A OD1 no hydrogen 2.738 N/A ARG 189.A NE ASP 191.A OD2 no hydrogen 3.371 N/A ARG 189.A NH2 ASP 191.A OD2 no hydrogen 3.139 N/A MET 192.A N ARG 189.A O no hydrogen 2.953 N/A LEU 193.A N ASP 191.A OD1 no hydrogen 3.399 N/A ALA 196.A N ARG 187.A O no hydrogen 2.749 N/A ARG 200.A N VAL 185.A O no hydrogen 2.972 N/A ARG 200.A NH2 GLU 197.A OE1 no hydrogen 2.644 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 3.143 N/A LEU 202.A N PRO 183.A O no hydrogen 2.822 N/A LEU 205.A N PHE 258.A O no hydrogen 2.772 N/A ASP 206.A N LYS 210.A O no hydrogen 2.561 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.777 N/A LEU 212.A N ILE 204.A O no hydrogen 3.187 N/A ALA 214.A N GLU 178.A O no hydrogen 2.798 N/A GLY 215.A N GLY 176.A O no hydrogen 2.894 N/A THR 217.A N GLY 215.A O no hydrogen 2.665 N/A ARG 219.A N ASP 216.A O no hydrogen 3.083 N/A ARG 220.A N ASP 216.A O no hydrogen 2.777 N/A ARG 220.A NE ARG 220.A O no hydrogen 3.160 N/A ARG 220.A NH1 ASP 242.A OD1 no hydrogen 3.500 N/A ARG 220.A NH2 ASP 242.A OD1 no hydrogen 2.802 N/A PHE 222.A N SER 239.A O no hydrogen 3.059 N/A GLU 223.A N SER 239.A O no hydrogen 3.204 N/A ALA 224.A N ASP 136.A OD2 no hydrogen 3.080 N/A TRP 226.A N SER 237.A O no hydrogen 2.948 N/A TRP 226.A NE1 ILE 277.A O no hydrogen 3.007 N/A HIS 228.A N TYR 235.A O no hydrogen 3.120 N/A TYR 230.A N LYS 233.A O no hydrogen 3.039 N/A LYS 233.A N TYR 230.A O no hydrogen 3.129 N/A TYR 234.A N GLY 251.A O no hydrogen 3.119 N/A TYR 234.A OH ASP 142.A OD1 no hydrogen 2.470 N/A TYR 234.A OH ASP 142.A OD2 no hydrogen 3.269 N/A TYR 235.A N HIS 228.A O no hydrogen 2.921 N/A TYR 235.A OH GLY 314.A O no hydrogen 2.579 N/A PHE 236.A N ALA 249.A O no hydrogen 2.961 N/A SER 237.A N TRP 226.A O no hydrogen 2.914 N/A SER 237.A OG HIS 275.A NE2 no hydrogen 2.508 N/A TYR 238.A N CYS 247.A O no hydrogen 3.087 N/A TYR 238.A OH ARG 219.A O no hydrogen 2.546 N/A SER 239.A N GLU 223.A O no hydrogen 2.717 N/A SER 239.A OG THR 273.A O no hydrogen 3.255 N/A THR 240.A N LEU 245.A O no hydrogen 2.895 N/A THR 240.A OG1 THR 243.A OG1 no hydrogen 2.551 N/A THR 240.A OG1 LEU 245.A O no hydrogen 3.331 N/A GLY 241.A N SER 239.A OG no hydrogen 3.248 N/A THR 243.A OG1 THR 217.A O no hydrogen 2.675 N/A THR 243.A OG1 THR 240.A O no hydrogen 3.443 N/A THR 243.A OG1 THR 240.A OG1 no hydrogen 2.551 N/A HIS 244.A N GLY 241.A O no hydrogen 2.881 N/A LEU 245.A N THR 240.A OG1 no hydrogen 2.983 N/A ILE 246.A N LEU 265.A O no hydrogen 3.107 N/A CYS 247.A N TYR 238.A O no hydrogen 3.000 N/A CYS 247.A SG LYS 218.A O no hydrogen 3.481 N/A TYR 248.A N GLY 262.A O no hydrogen 3.301 N/A ALA 249.A N PHE 236.A O no hydrogen 2.791 N/A THR 250.A N THR 259.A O no hydrogen 2.995 N/A GLY 251.A N TYR 234.A O no hydrogen 3.421 N/A ASN 253.A ND2 ASP 252.A OD1 no hydrogen 2.789 N/A TYR 255.A N ASN 253.A OD1 no hydrogen 2.983 N/A TYR 255.A OH GLU 197.A OE2 no hydrogen 2.624 N/A GLY 256.A N ASN 253.A OD1 no hydrogen 2.415 N/A PHE 258.A N MET 203.A O no hydrogen 2.720 N/A THR 259.A N THR 250.A O no hydrogen 2.937 N/A TYR 260.A N LEU 205.A O no hydrogen 3.164 N/A ARG 261.A N TYR 248.A O no hydrogen 3.005 N/A ARG 261.A NE THR 250.A OG1 no hydrogen 3.023 N/A ILE 264.A N ILE 246.A O no hydrogen 2.645 N/A LEU 265.A N ILE 246.A O no hydrogen 3.180 N/A THR 266.A N ILE 319.A O no hydrogen 3.175 N/A THR 266.A OG1 ILE 319.A O no hydrogen 3.556 N/A THR 272.A OG1 HIS 289.A NE2 no hydrogen 3.329 N/A HIS 275.A NE2 SER 237.A OG no hydrogen 2.508 N/A SER 276.A N PHE 287.A O no hydrogen 3.093 N/A SER 276.A OG PRO 16.A O no hydrogen 3.060 N/A VAL 278.A N TYR 285.A O no hydrogen 3.484 N/A PHE 280.A N LYS 283.A O no hydrogen 2.804 N/A LYS 281.A NZ ASP 57.A O no hydrogen 2.676 N/A LYS 283.A N PHE 280.A O no hydrogen 3.312 N/A TYR 285.A N VAL 278.A O no hydrogen 3.091 N/A TYR 285.A OH GLU 60.A OE1 no hydrogen 2.811 N/A LEU 286.A N ALA 306.A O no hydrogen 2.634 N/A PHE 287.A N SER 276.A O no hydrogen 3.233 N/A HIS 288.A N LYS 304.A O no hydrogen 2.747 N/A HIS 288.A ND1 LEU 286.A O no hydrogen 2.647 N/A ASP 290.A N SER 302.A O no hydrogen 3.233 N/A CYS 291.A N VAL 269.A O no hydrogen 2.580 N/A CYS 291.A SG VAL 269.A O no hydrogen 3.597 N/A CYS 291.A SG LYS 297.A O no hydrogen 3.142 N/A CYS 291.A SG THR 298.A O no hydrogen 3.684 N/A CYS 291.A SG LEU 300.A O no hydrogen 3.498 N/A SER 294.A OG CYS 291.A O no hydrogen 3.263 N/A SER 294.A OG LYS 297.A O no hydrogen 3.279 N/A SER 294.A OG LEU 300.A O no hydrogen 2.753 N/A LYS 295.A N VAL 292.A O no hydrogen 3.027 N/A GLY 296.A N CYS 291.A O no hydrogen 2.709 N/A TRP 299.A NE1 GLU 34.A OE1 no hydrogen 3.241 N/A TRP 299.A NE1 GLU 34.A OE2 no hydrogen 2.961 N/A LEU 300.A N LYS 297.A O no hydrogen 3.009 N/A ARG 301.A N ASP 32.A OD2 no hydrogen 3.214 N/A ARG 301.A NE ASP 32.A OD2 no hydrogen 2.419 N/A ARG 301.A NH2 ASP 32.A OD1 no hydrogen 2.706 N/A ARG 301.A NH2 ASP 32.A OD2 no hydrogen 3.030 N/A SER 302.A N ASP 290.A O no hydrogen 3.033 N/A LYS 304.A N HIS 288.A O no hydrogen 2.620 N/A LYS 304.A NZ TYR 6.A OH no hydrogen 3.182 N/A LYS 304.A NZ ASP 290.A OD2 no hydrogen 2.806 N/A VAL 305.A N ARG 5.A O no hydrogen 2.947 N/A ALA 306.A N LEU 286.A O no hydrogen 3.322 N/A LEU 308.A N TRP 284.A O no hydrogen 2.781 N/A TYR 310.A OH HIS 228.A NE2 no hydrogen 2.927 N/A ASN 311.A N SER 315.A O no hydrogen 2.712 N/A ASN 311.A ND2 SER 315.A OG no hydrogen 3.057 N/A GLY 314.A N ASN 311.A O no hydrogen 2.692 N/A SER 315.A N ASP 313.A OD1 no hydrogen 3.342 N/A SER 315.A OG ASP 313.A OD1 no hydrogen 2.662 N/A ILE 316.A N TYR 248.A OH no hydrogen 3.018 N/A GLN 317.A N LYS 309.A O no hydrogen 2.957 N/A GLN 317.A NE2 ASN 311.A OD1 no hydrogen 2.994 N/A ILE 319.A N ILE 264.A O no hydrogen 2.634 N/A GLY 321.A N THR 266.A OG1 no hydrogen 2.340 N/A THR 322.A OG1 ASP 290.A OD2 no hydrogen 2.583 N/A