Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 PRO 84.A O no hydrogen 2.650 N/A TYR 5.A N VAL 16.A O no hydrogen 3.237 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.629 N/A LEU 9.A N THR 12.A O no hydrogen 2.931 N/A LYS 11.A NZ GLU 8.A OE1 no hydrogen 2.755 N/A THR 12.A N LEU 9.A O no hydrogen 3.056 N/A THR 12.A OG1 LEU 9.A O no hydrogen 3.367 N/A TRP 14.A N GLN 7.A O no hydrogen 3.086 N/A GLU 15.A N TYR 95.A OH no hydrogen 3.074 N/A VAL 16.A N TYR 5.A O no hydrogen 3.256 N/A GLU 18.A N THR 3.A O no hydrogen 2.736 N/A ARG 19.A NE ASP 35.A OD1 no hydrogen 2.987 N/A ARG 19.A NH2 ASP 35.A OD2 no hydrogen 2.903 N/A TYR 20.A N PRO 17.A O no hydrogen 2.781 N/A TYR 20.A OH ASP 80.A OD1 no hydrogen 3.090 N/A GLN 21.A N PHE 34.A O no hydrogen 3.132 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.373 N/A SER 24.A N ALA 32.A O no hydrogen 2.934 N/A VAL 26.A N VAL 30.A O no hydrogen 3.206 N/A VAL 30.A N GLY 27.A O no hydrogen 3.121 N/A CYS 31.A N VAL 44.A O no hydrogen 2.868 N/A ALA 32.A N SER 24.A O no hydrogen 2.803 N/A ALA 33.A N VAL 42.A O no hydrogen 3.091 N/A PHE 34.A N GLN 21.A O no hydrogen 2.824 N/A ASP 35.A N LEU 40.A O no hydrogen 2.781 N/A THR 36.A N ARG 19.A O no hydrogen 3.097 N/A THR 36.A N PHE 34.A O no hydrogen 3.117 N/A THR 36.A OG1 ARG 19.A O no hydrogen 2.552 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.320 N/A THR 38.A N ASP 35.A O no hydrogen 2.759 N/A THR 38.A OG1 ASP 35.A O no hydrogen 3.492 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 2.562 N/A GLY 39.A N ASP 35.A O no hydrogen 2.608 N/A VAL 42.A N ALA 33.A O no hydrogen 2.632 N/A ALA 43.A N THR 98.A O no hydrogen 2.764 N/A VAL 44.A N CYS 31.A O no hydrogen 2.926 N/A LYS 45.A N LEU 96.A O no hydrogen 2.807 N/A LYS 45.A NZ GLU 63.A OE1 no hydrogen 2.968 N/A LYS 46.A N SER 29.A O no hydrogen 2.940 N/A LYS 46.A NZ ILE 13.A O no hydrogen 2.678 N/A LYS 46.A NZ TYR 95.A OH no hydrogen 3.549 N/A LEU 47.A N VAL 94.A O no hydrogen 3.046 N/A GLN 52.A N ARG 49.A O no hydrogen 3.236 N/A HIS 56.A N SER 53.A OG no hydrogen 3.205 N/A ALA 57.A N SER 53.A O no hydrogen 3.097 N/A LYS 58.A N ILE 54.A O no hydrogen 2.930 N/A LYS 58.A NZ GLU 305.A O no hydrogen 2.435 N/A LYS 58.A NZ ARG 307.A O no hydrogen 3.029 N/A ARG 59.A N ILE 55.A O no hydrogen 2.950 N/A THR 60.A N HIS 56.A O no hydrogen 2.786 N/A THR 60.A OG1 PRO 50.A O no hydrogen 2.802 N/A THR 60.A OG1 HIS 56.A O no hydrogen 3.213 N/A TYR 61.A N ALA 57.A O no hydrogen 3.116 N/A ARG 62.A N LYS 58.A O no hydrogen 2.846 N/A ARG 62.A NE GLU 305.A OE2 no hydrogen 2.617 N/A ARG 62.A NH2 GLU 305.A OE1 no hydrogen 2.788 N/A ARG 62.A NH2 GLU 305.A OE2 no hydrogen 3.440 N/A GLU 63.A N ARG 59.A O no hydrogen 2.860 N/A LEU 64.A N THR 60.A O no hydrogen 3.013 N/A ARG 65.A N TYR 61.A O no hydrogen 2.928 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 2.882 N/A ARG 65.A NH2 ASP 301.A O no hydrogen 2.641 N/A LEU 66.A N ARG 62.A O no hydrogen 2.889 N/A LEU 67.A N GLU 63.A O no hydrogen 3.021 N/A LYS 68.A N LEU 64.A O no hydrogen 2.808 N/A LYS 68.A NZ GLU 321.A O no hydrogen 2.817 N/A LYS 68.A NZ GLU 321.A OE1 no hydrogen 2.695 N/A HIS 69.A N LEU 66.A O no hydrogen 3.034 N/A HIS 69.A NE2 ASP 298.A O no hydrogen 2.938 N/A MET 70.A N LEU 66.A O no hydrogen 3.203 N/A LYS 71.A N TYR 132.A OH no hydrogen 2.872 N/A ASN 74.A ND2 LEU 156.A O no hydrogen 3.131 N/A VAL 75.A N HIS 72.A O no hydrogen 3.134 N/A ILE 76.A N ILE 158.A O no hydrogen 2.845 N/A LEU 79.A N VAL 97.A O no hydrogen 2.695 N/A ASP 80.A N VAL 97.A O no hydrogen 3.199 N/A PHE 82.A N TYR 95.A O no hydrogen 3.128 N/A THR 83.A OG1 ASP 93.A O no hydrogen 3.006 N/A ALA 85.A N THR 83.A OG1 no hydrogen 3.103 N/A SER 87.A OG ARG 86.A O no hydrogen 2.530 N/A PHE 91.A N LEU 88.A O no hydrogen 3.172 N/A ASN 92.A ND2 PHE 91.A O no hydrogen 3.234 N/A TYR 95.A N PHE 82.A O no hydrogen 2.935 N/A LEU 96.A N LYS 45.A O no hydrogen 2.788 N/A VAL 97.A N ASP 80.A O no hydrogen 2.696 N/A THR 98.A N ALA 43.A O no hydrogen 2.945 N/A THR 98.A OG1 HIS 99.A O no hydrogen 3.349 N/A LEU 100.A N ARG 41.A O no hydrogen 3.370 N/A LEU 105.A N PRO 145.A O no hydrogen 3.200 N/A LEU 105.A N LEU 148.A O no hydrogen 2.824 N/A ASN 107.A N ASP 104.A OD2 no hydrogen 3.004 N/A ASN 107.A ND2 ASP 104.A OD2 no hydrogen 2.549 N/A ILE 108.A N ASP 104.A O no hydrogen 3.194 N/A VAL 109.A N LEU 105.A O no hydrogen 3.021 N/A LYS 110.A N ASN 106.A O no hydrogen 3.055 N/A LYS 110.A NZ ASN 106.A OD1 no hydrogen 2.663 N/A CYS 111.A SG ASN 107.A O no hydrogen 3.818 N/A GLN 112.A N ILE 108.A O no hydrogen 3.023 N/A LYS 113.A NZ LEU 194.A O no hydrogen 2.791 N/A THR 115.A N HIS 118.A ND1 no hydrogen 3.054 N/A THR 115.A OG1 HIS 118.A ND1 no hydrogen 3.210 N/A HIS 118.A N THR 115.A OG1 no hydrogen 3.193 N/A VAL 119.A N THR 115.A O no hydrogen 3.075 N/A GLN 120.A N ASP 116.A O no hydrogen 2.996 N/A PHE 121.A N ASP 117.A O no hydrogen 3.203 N/A LEU 122.A N HIS 118.A O no hydrogen 2.976 N/A ILE 123.A N VAL 119.A O no hydrogen 3.129 N/A TYR 124.A N GLN 120.A O no hydrogen 2.854 N/A TYR 124.A OH GLU 294.A OE1 no hydrogen 2.476 N/A GLN 125.A N PHE 121.A O no hydrogen 3.097 N/A GLN 125.A NE2 PHE 121.A O no hydrogen 3.409 N/A GLN 125.A NE2 CYS 154.A O no hydrogen 3.025 N/A ILE 126.A N LEU 122.A O no hydrogen 3.049 N/A LEU 127.A N ILE 123.A O no hydrogen 2.878 N/A ARG 128.A N TYR 124.A O no hydrogen 2.956 N/A ARG 128.A NE ASP 293.A O no hydrogen 2.803 N/A ARG 128.A NH1 GLU 73.A OE2 no hydrogen 2.778 N/A ARG 128.A NH1 ASN 74.A OD1 no hydrogen 2.891 N/A ARG 128.A NH2 GLU 73.A OE2 no hydrogen 3.094 N/A ARG 128.A NH2 ASP 293.A O no hydrogen 3.150 N/A ARG 128.A NH2 ASP 293.A OD2 no hydrogen 3.247 N/A GLY 129.A N GLN 125.A O no hydrogen 3.003 N/A LEU 130.A N ILE 126.A O no hydrogen 2.804 N/A LYS 131.A N LEU 127.A O no hydrogen 2.795 N/A LYS 131.A NZ GLU 294.A O no hydrogen 2.805 N/A TYR 132.A N ARG 128.A O no hydrogen 3.416 N/A TYR 132.A OH HIS 69.A O no hydrogen 3.099 N/A ILE 133.A N GLY 129.A O no hydrogen 2.945 N/A HIS 134.A N LEU 130.A O no hydrogen 2.855 N/A HIS 134.A NE2 ASP 182.A OD1 no hydrogen 2.767 N/A SER 135.A N LYS 131.A O no hydrogen 2.932 N/A SER 135.A OG TYR 132.A O no hydrogen 2.829 N/A ALA 136.A N ILE 133.A O no hydrogen 3.065 N/A ASP 137.A N HIS 134.A O no hydrogen 2.863 N/A ILE 138.A N ILE 133.A O no hydrogen 3.397 N/A HIS 140.A N ASP 182.A OD1 no hydrogen 2.878 N/A ARG 141.A N ASP 182.A OD2 no hydrogen 2.783 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 3.334 N/A ASN 147.A N LYS 144.A O no hydrogen 2.969 N/A LEU 148.A N PRO 145.A O no hydrogen 3.210 N/A ALA 149.A N LYS 157.A O no hydrogen 2.815 N/A VAL 150.A N ALA 103.A O no hydrogen 2.915 N/A ASN 151.A N GLU 155.A O no hydrogen 3.043 N/A ASN 151.A ND2 GLU 155.A OE2 no hydrogen 3.182 N/A ASP 153.A N ASN 151.A OD1 no hydrogen 3.158 N/A CYS 154.A N ASN 151.A O no hydrogen 2.909 N/A GLU 155.A N ASN 151.A OD1 no hydrogen 2.955 N/A LEU 156.A N GLN 125.A OE1 no hydrogen 3.072 N/A LYS 157.A N ALA 149.A O no hydrogen 2.767 N/A LYS 157.A NZ GLU 73.A O no hydrogen 2.647 N/A ILE 158.A N ASN 74.A O no hydrogen 2.937 N/A LEU 159.A N ASN 147.A O no hydrogen 2.731 N/A TRP 164.A NE1 GLY 202.A O no hydrogen 2.982 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.677 N/A ARG 166.A N ARG 163.A O no hydrogen 3.348 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.822 N/A ILE 170.A N ALA 167.A O no hydrogen 3.070 N/A MET 171.A N ALA 167.A O no hydrogen 3.459 N/A LEU 172.A N GLU 169.A O no hydrogen 3.256 N/A ASN 173.A N ILE 170.A O no hydrogen 2.747 N/A TRP 174.A N GLU 169.A O no hydrogen 2.947 N/A ASN 178.A ND2 THR 180.A OG1 no hydrogen 2.684 N/A GLN 179.A NE2 HIS 134.A O no hydrogen 2.887 N/A THR 180.A OG1 SER 270.A O no hydrogen 3.006 N/A VAL 181.A N ASN 178.A O no hydrogen 2.969 N/A ASP 182.A N GLN 179.A O no hydrogen 3.098 N/A TRP 184.A N THR 180.A O no hydrogen 3.152 N/A SER 185.A N VAL 181.A O no hydrogen 3.340 N/A SER 185.A OG TYR 165.A O no hydrogen 2.713 N/A SER 185.A OG VAL 181.A O no hydrogen 3.353 N/A VAL 186.A N ASP 182.A O no hydrogen 2.962 N/A GLY 187.A N ILE 183.A O no hydrogen 2.884 N/A CYS 188.A N TRP 184.A O no hydrogen 2.992 N/A CYS 188.A SG TRP 164.A O no hydrogen 4.042 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.477 N/A ILE 189.A N SER 185.A O no hydrogen 3.016 N/A MET 190.A N VAL 186.A O no hydrogen 2.883 N/A ALA 191.A N GLY 187.A O no hydrogen 2.902 N/A GLU 192.A N CYS 188.A O no hydrogen 3.082 N/A LEU 193.A N ILE 189.A O no hydrogen 2.911 N/A LEU 194.A N MET 190.A O no hydrogen 3.037 N/A THR 195.A N ALA 191.A O no hydrogen 3.053 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.117 N/A GLY 196.A N GLU 192.A O no hydrogen 2.737 N/A ARG 197.A N THR 195.A OG1 no hydrogen 2.925 N/A GLY 202.A N PHE 200.A O no hydrogen 2.746 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 3.039 N/A THR 203.A N ASP 207.A OD1 no hydrogen 2.808 N/A ASP 207.A N ASP 204.A OD2 no hydrogen 2.891 N/A GLN 208.A N ASP 204.A O no hydrogen 2.861 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.370 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 3.114 N/A LEU 209.A N HIS 205.A O no hydrogen 3.337 N/A LYS 210.A N ILE 206.A O no hydrogen 2.800 N/A LEU 211.A N ASP 207.A O no hydrogen 2.918 N/A ILE 212.A N GLN 208.A O no hydrogen 3.095 N/A LEU 213.A N LEU 209.A O no hydrogen 2.964 N/A ARG 214.A N LYS 210.A O no hydrogen 3.086 N/A LEU 215.A N LEU 211.A O no hydrogen 3.366 N/A VAL 216.A N ILE 212.A O no hydrogen 3.061 N/A GLY 217.A N LEU 213.A O no hydrogen 2.811 N/A LEU 223.A N GLY 220.A O no hydrogen 2.616 N/A LEU 224.A N GLY 220.A O no hydrogen 2.906 N/A LYS 225.A N ALA 221.A O no hydrogen 3.072 N/A LYS 225.A NZ GLU 222.A OE2 no hydrogen 3.112 N/A LYS 226.A N LEU 223.A O no hydrogen 2.901 N/A LYS 226.A NZ ASP 269.A OD1 no hydrogen 2.925 N/A LYS 226.A NZ ASP 269.A OD2 no hydrogen 2.814 N/A LYS 226.A NZ ASP 271.A OD1 no hydrogen 2.550 N/A ILE 227.A N LEU 224.A O no hydrogen 3.107 N/A ARG 233.A N SER 229.A O no hydrogen 2.620 N/A ASN 234.A N GLU 230.A O no hydrogen 3.180 N/A LEU 239.A N ILE 236.A O no hydrogen 2.905 N/A LYS 244.A NZ MET 245.A O no hydrogen 3.028 N/A LYS 244.A NZ GLU 263.A OE1 no hydrogen 3.486 N/A LYS 244.A NZ GLU 263.A OE2 no hydrogen 2.607 N/A MET 245.A N LEU 215.A O no hydrogen 3.049 N/A ASN 249.A N ASN 246.A O no hydrogen 3.052 N/A VAL 250.A N ASN 246.A O no hydrogen 3.251 N/A VAL 250.A N PHE 247.A O no hydrogen 3.120 N/A PHE 251.A N PHE 247.A O no hydrogen 2.903 N/A ALA 254.A N PHE 251.A O no hydrogen 2.927 N/A ASN 255.A ND2 ASP 116.A OD2 no hydrogen 2.932 N/A LEU 257.A N ASN 255.A OD1 no hydrogen 2.806 N/A VAL 259.A N ASN 255.A O no hydrogen 3.040 N/A ASP 260.A N PRO 256.A O no hydrogen 3.059 N/A LEU 261.A N LEU 257.A O no hydrogen 3.054 N/A LEU 262.A N ALA 258.A O no hydrogen 3.001 N/A GLU 263.A N VAL 259.A O no hydrogen 3.133 N/A LYS 264.A N ASP 260.A O no hydrogen 3.229 N/A LYS 264.A N LEU 261.A O no hydrogen 2.908 N/A LYS 264.A NZ ASP 260.A OD2 no hydrogen 2.811 N/A MET 265.A N LEU 262.A O no hydrogen 3.169 N/A LEU 266.A N LEU 262.A O no hydrogen 2.890 N/A SER 270.A OG ASN 178.A OD1 no hydrogen 2.680 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 3.301 N/A LYS 272.A N ASP 269.A O no hydrogen 2.890 N/A ARG 273.A N SER 270.A O no hydrogen 3.317 N/A ARG 273.A NE THR 180.A O no hydrogen 3.204 N/A ARG 273.A NH1 GLU 169.A OE2 no hydrogen 3.431 N/A ARG 273.A NH1 VAL 267.A O no hydrogen 3.051 N/A ARG 273.A NH2 GLU 169.A OE1 no hydrogen 2.863 N/A ARG 273.A NH2 THR 180.A O no hydrogen 2.814 N/A ILE 274.A N LYS 264.A O no hydrogen 2.900 N/A THR 275.A N GLN 278.A OE1 no hydrogen 3.061 N/A GLN 278.A N THR 275.A OG1 no hydrogen 3.103 N/A ALA 279.A N THR 275.A O no hydrogen 2.964 N/A LEU 280.A N ALA 276.A O no hydrogen 3.178 N/A ALA 281.A N GLN 278.A O no hydrogen 3.175 N/A HIS 282.A N ALA 279.A O no hydrogen 2.923 N/A HIS 282.A NE2 ASP 260.A OD2 no hydrogen 2.828 N/A TYR 284.A N HIS 282.A ND1 no hydrogen 3.034 N/A TYR 284.A OH ASP 116.A OD1 no hydrogen 2.650 N/A PHE 285.A N HIS 282.A O no hydrogen 2.889 N/A ALA 286.A N ALA 283.A O no hydrogen 3.022 N/A TYR 288.A N PHE 285.A O no hydrogen 2.644 N/A TYR 288.A OH ASP 117.A OD2 no hydrogen 2.341 N/A HIS 289.A N PHE 285.A O no hydrogen 2.831 N/A HIS 289.A ND1 GLU 294.A OE1 no hydrogen 2.732 N/A ASP 290.A N GLU 294.A OE1 no hydrogen 3.088 N/A ASP 292.A N ASP 290.A OD1 no hydrogen 2.755 N/A ASP 293.A N ASP 290.A O no hydrogen 2.695 N/A ALA 297.A N SER 135.A OG no hydrogen 2.868 N/A GLN 302.A NE2 ASP 137.A O no hydrogen 3.106 N/A SER 303.A N ASP 301.A OD1 no hydrogen 2.883 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.609 N/A GLU 305.A N GLN 302.A O no hydrogen 3.054 N/A SER 306.A N SER 303.A O no hydrogen 3.046 N/A ARG 307.A N PHE 304.A O no hydrogen 2.859 N/A LEU 310.A N GLU 313.A OE1 no hydrogen 2.915 N/A TRP 314.A N LEU 310.A O no hydrogen 3.065 N/A LYS 315.A N ILE 311.A O no hydrogen 2.911 N/A LYS 315.A NZ PHE 91.A O no hydrogen 2.980 N/A SER 316.A N ASP 312.A O no hydrogen 3.075 N/A LEU 317.A N GLU 313.A O no hydrogen 3.074 N/A THR 318.A N TRP 314.A O no hydrogen 2.914 N/A THR 318.A OG1 TRP 314.A O no hydrogen 2.914 N/A TYR 319.A N LYS 315.A O no hydrogen 2.584 N/A ASP 320.A N SER 316.A O no hydrogen 2.767 N/A GLU 321.A N LEU 317.A O no hydrogen 3.154 N/A GLU 321.A N THR 318.A O no hydrogen 2.930 N/A VAL 322.A N THR 318.A O no hydrogen 3.057 N/A ILE 323.A N TYR 319.A O no hydrogen 3.051 N/A SER 324.A N ASP 320.A O no hydrogen 2.735 N/A SER 324.A OG ASP 320.A O no hydrogen 3.283 N/A SER 324.A OG GLU 321.A O no hydrogen 3.546 N/A PHE 325.A N VAL 322.A O no hydrogen 3.378 N/A