Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 10.A NH2 PRO 97.A O no hydrogen 2.855 N/A TYR 14.A N VAL 25.A O no hydrogen 2.931 N/A TYR 14.A OH TYR 29.A O no hydrogen 2.617 N/A ARG 15.A NH1 GLU 24.A OE1 no hydrogen 3.135 N/A GLN 16.A N TRP 23.A O no hydrogen 3.090 N/A LEU 18.A N THR 21.A O no hydrogen 2.734 N/A THR 21.A N LEU 18.A O no hydrogen 3.109 N/A THR 21.A OG1 LEU 18.A O no hydrogen 3.420 N/A TRP 23.A N GLN 16.A O no hydrogen 2.813 N/A GLU 24.A N TYR 108.A OH no hydrogen 2.969 N/A VAL 25.A N TYR 14.A O no hydrogen 3.168 N/A GLU 27.A N THR 12.A O no hydrogen 2.798 N/A ARG 28.A NE ASP 48.A OD1 no hydrogen 2.753 N/A ARG 28.A NE ASP 48.A OD2 no hydrogen 3.457 N/A ARG 28.A NH2 ASP 48.A OD2 no hydrogen 2.840 N/A TYR 29.A N PRO 26.A O no hydrogen 2.949 N/A TYR 29.A OH ASP 93.A OD2 no hydrogen 2.632 N/A GLN 30.A N PHE 47.A O no hydrogen 2.898 N/A GLN 30.A NE2 GLU 27.A O no hydrogen 2.786 N/A SER 33.A N ALA 45.A O no hydrogen 2.954 N/A VAL 35.A N VAL 43.A O no hydrogen 2.931 N/A SER 37.A OG GLY 36.A O no hydrogen 2.766 N/A ALA 39.A N GLY 36.A O no hydrogen 3.269 N/A TYR 40.A OH ASP 117.A OD2 no hydrogen 2.655 N/A GLY 41.A N GLY 38.A O no hydrogen 3.098 N/A CYS 44.A N VAL 57.A O no hydrogen 2.890 N/A ALA 45.A N SER 33.A O no hydrogen 2.748 N/A ALA 46.A N VAL 55.A O no hydrogen 2.838 N/A PHE 47.A N GLN 30.A O no hydrogen 2.806 N/A ASP 48.A N LEU 53.A O no hydrogen 2.856 N/A THR 49.A N ARG 28.A O no hydrogen 2.980 N/A THR 49.A OG1 ARG 28.A O no hydrogen 2.839 N/A LYS 50.A N ASP 48.A OD1 no hydrogen 2.948 N/A THR 51.A OG1 ASP 48.A OD2 no hydrogen 3.021 N/A VAL 55.A N ALA 46.A O no hydrogen 2.795 N/A ALA 56.A N THR 111.A O no hydrogen 2.815 N/A VAL 57.A N CYS 44.A O no hydrogen 2.728 N/A LYS 58.A N LEU 109.A O no hydrogen 2.791 N/A LYS 58.A NZ GLU 76.A OE2 no hydrogen 3.090 N/A LYS 59.A N SER 42.A O no hydrogen 2.941 N/A LYS 59.A NZ ILE 22.A O no hydrogen 2.921 N/A LEU 60.A N.A VAL 107.A O no hydrogen 2.762 N/A LEU 60.A N.B VAL 107.A O no hydrogen 2.789 N/A SER 61.A OG.A LEU 60.A O.B no hydrogen 3.524 N/A ARG 62.A NH1.A GLN 65.A OE1 no hydrogen 3.268 N/A ARG 62.A NH1.A HIS 69.A NE2 no hydrogen 2.950 N/A ARG 62.A NH2.A HIS 69.A NE2 no hydrogen 3.256 N/A SER 66.A OG HIS 69.A ND1 no hydrogen 2.828 N/A HIS 69.A N SER 66.A OG no hydrogen 3.167 N/A HIS 69.A ND1 SER 66.A OG no hydrogen 2.828 N/A ALA 70.A N SER 66.A O no hydrogen 2.855 N/A LYS 71.A N ILE 67.A O no hydrogen 2.927 N/A LYS 71.A NZ GLU 321.A O no hydrogen 2.762 N/A LYS 71.A NZ ARG 323.A O no hydrogen 3.473 N/A ARG 72.A N ILE 68.A O no hydrogen 3.066 N/A THR 73.A N HIS 69.A O no hydrogen 2.878 N/A THR 73.A OG1 PRO 63.A O no hydrogen 2.735 N/A THR 73.A OG1 HIS 69.A O no hydrogen 3.143 N/A TYR 74.A N ALA 70.A O no hydrogen 3.031 N/A ARG 75.A N LYS 71.A O no hydrogen 2.908 N/A ARG 75.A NE GLU 321.A OE2 no hydrogen 2.708 N/A ARG 75.A NH2 GLU 321.A OE1 no hydrogen 2.828 N/A ARG 75.A NH2 GLU 321.A OE2 no hydrogen 3.528 N/A GLU 76.A N ARG 72.A O no hydrogen 2.894 N/A LEU 77.A N THR 73.A O no hydrogen 2.964 N/A ARG 78.A N TYR 74.A O no hydrogen 2.894 N/A ARG 78.A NH1 TYR 74.A OH no hydrogen 2.888 N/A LEU 79.A N ARG 75.A O no hydrogen 2.892 N/A LEU 80.A N GLU 76.A O no hydrogen 2.916 N/A LYS 81.A N LEU 77.A O no hydrogen 2.889 N/A LYS 81.A NZ GLU 337.A O no hydrogen 2.772 N/A LYS 81.A NZ GLU 337.A OE1 no hydrogen 2.785 N/A HIS 82.A N ARG 78.A O no hydrogen 3.116 N/A HIS 82.A N LEU 79.A O no hydrogen 2.972 N/A HIS 82.A NE2 ASP 314.A O no hydrogen 2.824 N/A MET 83.A N LEU 79.A O no hydrogen 2.992 N/A LYS 84.A N TYR 145.A OH no hydrogen 2.910 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 2.949 N/A ASN 87.A ND2 LEU 169.A O no hydrogen 3.093 N/A VAL 88.A N HIS 85.A O no hydrogen 3.190 N/A ILE 89.A N ILE 171.A O no hydrogen 2.939 N/A LEU 92.A N VAL 110.A O no hydrogen 2.788 N/A ASP 93.A N VAL 110.A O no hydrogen 3.442 N/A PHE 95.A N TYR 108.A O no hydrogen 2.942 N/A THR 96.A OG1 ASP 106.A O no hydrogen 2.890 N/A ALA 98.A N THR 96.A OG1 no hydrogen 3.316 N/A ARG 99.A N GLU 103.A OE2 no hydrogen 2.758 N/A SER 100.A OG GLU 102.A OE1 no hydrogen 3.444 N/A GLU 103.A N SER 100.A O no hydrogen 3.090 N/A PHE 104.A N LEU 101.A O no hydrogen 3.097 N/A ASN 105.A ND2 GLU 103.A O no hydrogen 3.425 N/A VAL 107.A N LEU 60.A O.A no hydrogen 3.098 N/A TYR 108.A N PHE 95.A O no hydrogen 2.953 N/A LEU 109.A N LYS 58.A O no hydrogen 2.847 N/A VAL 110.A N ASP 93.A O no hydrogen 2.935 N/A THR 111.A N ALA 56.A O no hydrogen 2.977 N/A THR 111.A OG1 GLY 90.A O no hydrogen 2.754 N/A LEU 113.A N ARG 54.A O no hydrogen 3.115 N/A ASP 117.A N ASN 120.A OD1 no hydrogen 3.001 N/A LEU 118.A N PRO 158.A O no hydrogen 3.257 N/A LEU 118.A N LEU 161.A O no hydrogen 2.880 N/A ASN 120.A N ASP 117.A OD1 no hydrogen 3.048 N/A ILE 121.A N ASP 117.A O no hydrogen 3.197 N/A VAL 122.A N LEU 118.A O no hydrogen 2.891 N/A LYS 123.A N ASN 119.A O no hydrogen 3.097 N/A LYS 123.A NZ ASN 119.A O no hydrogen 3.006 N/A CYS 124.A N ASN 120.A O no hydrogen 3.165 N/A CYS 124.A N ILE 121.A O no hydrogen 3.219 N/A CYS 124.A SG ASN 120.A O no hydrogen 3.117 N/A GLN 125.A NE2 ILE 121.A O no hydrogen 3.156 N/A LYS 126.A NZ LEU 210.A O no hydrogen 2.866 N/A THR 128.A N HIS 131.A ND1 no hydrogen 3.352 N/A HIS 131.A N THR 128.A OG1 no hydrogen 3.106 N/A VAL 132.A N THR 128.A O no hydrogen 3.086 N/A GLN 133.A N ASP 129.A O no hydrogen 2.905 N/A GLN 133.A NE2 ASP 129.A OD2 no hydrogen 2.763 N/A PHE 134.A N ASP 130.A O no hydrogen 2.982 N/A LEU 135.A N HIS 131.A O no hydrogen 2.854 N/A ILE 136.A N VAL 132.A O no hydrogen 2.928 N/A TYR 137.A N GLN 133.A O no hydrogen 2.861 N/A TYR 137.A OH GLU 310.A OE2 no hydrogen 2.741 N/A GLN 138.A N PHE 134.A O no hydrogen 3.033 N/A GLN 138.A NE2 PHE 134.A O no hydrogen 3.159 N/A GLN 138.A NE2 CYS 167.A O no hydrogen 2.836 N/A ILE 139.A N LEU 135.A O no hydrogen 3.104 N/A LEU 140.A N ILE 136.A O no hydrogen 2.969 N/A ARG 141.A N TYR 137.A O no hydrogen 2.858 N/A ARG 141.A NE ASP 309.A O no hydrogen 2.774 N/A ARG 141.A NH1 GLU 86.A OE1 no hydrogen 2.941 N/A ARG 141.A NH1 ASN 87.A OD1 no hydrogen 2.815 N/A ARG 141.A NH2 GLU 86.A OE1 no hydrogen 3.289 N/A ARG 141.A NH2 ASP 309.A O no hydrogen 2.915 N/A ARG 141.A NH2 ASP 309.A OD1 no hydrogen 3.232 N/A GLY 142.A N GLN 138.A O no hydrogen 2.935 N/A LEU 143.A N ILE 139.A O no hydrogen 2.825 N/A LYS 144.A N LEU 140.A O no hydrogen 2.854 N/A LYS 144.A NZ GLU 310.A O no hydrogen 2.777 N/A TYR 145.A N ARG 141.A O no hydrogen 3.349 N/A ILE 146.A N GLY 142.A O no hydrogen 2.959 N/A HIS 147.A N LEU 143.A O no hydrogen 2.775 N/A HIS 147.A NE2 ASP 198.A OD2 no hydrogen 2.808 N/A SER 148.A N LYS 144.A O no hydrogen 2.986 N/A SER 148.A OG LYS 144.A O no hydrogen 3.417 N/A SER 148.A OG TYR 145.A O no hydrogen 2.646 N/A ALA 149.A N ILE 146.A O no hydrogen 3.074 N/A ASP 150.A N HIS 147.A O no hydrogen 2.848 N/A ILE 151.A N ILE 146.A O no hydrogen 3.227 N/A HIS 153.A N ASP 198.A OD2 no hydrogen 2.827 N/A HIS 153.A NE2 LEU 172.A O no hydrogen 2.906 N/A ARG 154.A N ASP 198.A OD1 no hydrogen 2.836 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.116 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 3.378 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 3.148 N/A ASN 160.A N LYS 157.A O no hydrogen 2.914 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.674 N/A LEU 161.A N PRO 158.A O no hydrogen 3.211 N/A ALA 162.A N LYS 170.A O no hydrogen 2.857 N/A VAL 163.A N ALA 116.A O no hydrogen 2.930 N/A ASN 164.A N GLU 168.A O no hydrogen 2.942 N/A ASN 164.A ND2 GLU 168.A OE1 no hydrogen 2.915 N/A ASP 166.A N ASN 164.A OD1 no hydrogen 2.910 N/A CYS 167.A N ASN 164.A O no hydrogen 3.008 N/A GLU 168.A N ASN 164.A OD1 no hydrogen 3.008 N/A LEU 169.A N GLN 138.A OE1 no hydrogen 2.924 N/A LYS 170.A N ALA 162.A O no hydrogen 2.827 N/A ILE 171.A N ASN 87.A O no hydrogen 2.826 N/A LEU 172.A N ASN 160.A O no hydrogen 2.887 N/A GLY 175.A N HIS 153.A O no hydrogen 2.734 N/A TRP 180.A NE1 GLY 218.A O no hydrogen 3.044 N/A TYR 181.A OH GLU 208.A OE1 no hydrogen 2.628 N/A TYR 181.A OH GLU 208.A OE2 no hydrogen 3.409 N/A ARG 182.A N ARG 179.A O no hydrogen 3.321 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.744 N/A ILE 186.A N ALA 183.A O no hydrogen 3.106 N/A MET 187.A N ALA 183.A O no hydrogen 2.961 N/A MET 187.A N PRO 184.A O no hydrogen 3.045 N/A LEU 188.A N PRO 184.A O no hydrogen 3.278 N/A TRP 190.A N GLU 185.A O no hydrogen 2.827 N/A ASN 194.A ND2 SER 286.A O no hydrogen 3.338 N/A GLN 195.A NE2 HIS 147.A O no hydrogen 2.789 N/A THR 196.A N ASN 194.A OD1 no hydrogen 2.915 N/A THR 196.A OG1 ASN 194.A OD1 no hydrogen 2.634 N/A THR 196.A OG1 SER 286.A O no hydrogen 3.396 N/A VAL 197.A N ASN 194.A O no hydrogen 3.192 N/A ASP 198.A N GLN 195.A O no hydrogen 3.107 N/A ILE 199.A N THR 196.A O no hydrogen 3.002 N/A TRP 200.A N THR 196.A O no hydrogen 3.220 N/A SER 201.A N VAL 197.A O no hydrogen 3.442 N/A SER 201.A OG TYR 181.A O no hydrogen 2.746 N/A SER 201.A OG VAL 197.A O no hydrogen 3.432 N/A VAL 202.A N ASP 198.A O no hydrogen 3.021 N/A GLY 203.A N ILE 199.A O no hydrogen 2.964 N/A CYS 204.A N TRP 200.A O no hydrogen 3.030 N/A CYS 204.A SG TRP 180.A O no hydrogen 3.977 N/A CYS 204.A SG TRP 200.A O no hydrogen 3.512 N/A ILE 205.A N SER 201.A O no hydrogen 2.923 N/A MET 206.A N VAL 202.A O no hydrogen 2.748 N/A ALA 207.A N GLY 203.A O no hydrogen 2.998 N/A GLU 208.A N CYS 204.A O no hydrogen 3.232 N/A LEU 209.A N ILE 205.A O no hydrogen 2.893 N/A LEU 210.A N MET 206.A O no hydrogen 2.925 N/A THR 211.A N ALA 207.A O no hydrogen 2.877 N/A THR 211.A OG1 ALA 207.A O no hydrogen 3.094 N/A GLY 212.A N GLU 208.A O no hydrogen 2.733 N/A ARG 213.A N THR 211.A OG1 no hydrogen 3.081 N/A GLY 218.A N PHE 216.A O no hydrogen 2.944 N/A GLY 218.A N GLN 224.A OE1 no hydrogen 3.113 N/A THR 219.A N ASP 223.A OD2 no hydrogen 3.067 N/A THR 219.A OG1 ASP 220.A OD2 no hydrogen 3.260 N/A THR 219.A OG1 ASP 223.A OD2 no hydrogen 3.267 N/A ASP 223.A N ASP 220.A OD1 no hydrogen 3.067 N/A GLN 224.A N ASP 220.A O no hydrogen 2.841 N/A GLN 224.A NE2 TRP 180.A O no hydrogen 3.553 N/A GLN 224.A NE2 PHE 216.A O no hydrogen 3.125 N/A LEU 225.A N HIS 221.A O no hydrogen 3.104 N/A LYS 226.A N ILE 222.A O no hydrogen 3.000 N/A LEU 227.A N ASP 223.A O no hydrogen 3.000 N/A ILE 228.A N GLN 224.A O no hydrogen 3.039 N/A LEU 229.A N LEU 225.A O no hydrogen 2.905 N/A ARG 230.A N LYS 226.A O no hydrogen 3.061 N/A LEU 231.A N ILE 228.A O no hydrogen 3.014 N/A VAL 232.A N ILE 228.A O no hydrogen 3.003 N/A GLY 233.A N LEU 229.A O no hydrogen 2.788 N/A THR 234.A N MET 258.A O no hydrogen 2.773 N/A LEU 240.A N GLY 236.A O no hydrogen 3.249 N/A LYS 241.A N ALA 237.A O no hydrogen 3.005 N/A LYS 242.A NZ ASP 285.A OD1 no hydrogen 2.909 N/A LYS 242.A NZ ASP 285.A OD2 no hydrogen 2.868 N/A LYS 242.A NZ ASP 287.A OD2 no hydrogen 3.254 N/A ILE 243.A N LEU 240.A O no hydrogen 3.159 N/A SER 244.A N TRP 190.A O no hydrogen 2.910 N/A SER 244.A OG TRP 190.A O no hydrogen 2.788 N/A ARG 249.A N SER 245.A O no hydrogen 3.377 N/A ARG 249.A NH1 LEU 240.A O no hydrogen 3.185 N/A ASN 250.A N GLU 246.A O no hydrogen 3.244 N/A TYR 251.A N SER 247.A O no hydrogen 3.288 N/A ILE 252.A N ALA 248.A O no hydrogen 3.203 N/A GLN 253.A N ARG 249.A O no hydrogen 3.333 N/A SER 254.A N TYR 251.A O no hydrogen 2.847 N/A SER 254.A OG TYR 251.A O no hydrogen 2.709 N/A LEU 255.A N ILE 252.A O no hydrogen 3.295 N/A MET 258.A N THR 234.A OG1 no hydrogen 2.970 N/A LYS 260.A NZ MET 261.A O no hydrogen 2.928 N/A MET 261.A N LEU 231.A O no hydrogen 2.858 N/A ALA 264.A N ASN 262.A OD1 no hydrogen 2.978 N/A ASN 265.A N ASN 262.A O no hydrogen 3.044 N/A VAL 266.A N PHE 263.A O no hydrogen 3.149 N/A PHE 267.A N PHE 263.A O no hydrogen 2.970 N/A ALA 270.A N PHE 267.A O no hydrogen 3.316 N/A ASN 271.A ND2 ASP 129.A OD2 no hydrogen 2.993 N/A LEU 273.A N ASN 271.A OD1 no hydrogen 2.978 N/A VAL 275.A N ASN 271.A O no hydrogen 3.156 N/A ASP 276.A N PRO 272.A O no hydrogen 3.000 N/A LEU 277.A N LEU 273.A O no hydrogen 2.946 N/A LEU 278.A N ALA 274.A O no hydrogen 2.916 N/A GLU 279.A N VAL 275.A O no hydrogen 2.996 N/A LYS 280.A N LEU 277.A O no hydrogen 3.003 N/A LYS 280.A NZ ASP 276.A OD1 no hydrogen 3.556 N/A LYS 280.A NZ ASP 276.A OD2 no hydrogen 3.569 N/A MET 281.A N LEU 277.A O no hydrogen 3.096 N/A MET 281.A N LEU 278.A O no hydrogen 3.161 N/A LEU 282.A N LEU 278.A O no hydrogen 2.867 N/A ASP 287.A N ASP 285.A OD1 no hydrogen 3.005 N/A LYS 288.A N ASP 285.A O no hydrogen 2.777 N/A ARG 289.A NE VAL 283.A O no hydrogen 3.006 N/A ARG 289.A NH1 GLU 185.A OE2 no hydrogen 2.707 N/A ARG 289.A NH1 THR 196.A O no hydrogen 2.911 N/A ARG 289.A NH2 GLU 185.A OE1 no hydrogen 3.113 N/A ARG 289.A NH2 GLU 185.A OE2 no hydrogen 3.236 N/A ARG 289.A NH2 VAL 283.A O no hydrogen 2.919 N/A ILE 290.A N LYS 280.A O no hydrogen 3.151 N/A THR 291.A N GLN 294.A OE1 no hydrogen 3.058 N/A GLN 294.A N THR 291.A OG1 no hydrogen 2.957 N/A ALA 295.A N THR 291.A O no hydrogen 2.846 N/A LEU 296.A N ALA 292.A O no hydrogen 3.062 N/A ALA 297.A N GLN 294.A O no hydrogen 3.163 N/A HIS 298.A N ALA 295.A O no hydrogen 2.941 N/A HIS 298.A NE2 ASP 276.A OD2 no hydrogen 2.750 N/A TYR 300.A N HIS 298.A ND1 no hydrogen 2.934 N/A TYR 300.A OH ASP 129.A OD1 no hydrogen 2.827 N/A PHE 301.A N HIS 298.A O no hydrogen 2.951 N/A ALA 302.A N ALA 299.A O no hydrogen 3.101 N/A TYR 304.A N PHE 301.A O no hydrogen 2.912 N/A TYR 304.A OH ASP 130.A OD1 no hydrogen 2.662 N/A HIS 305.A N PHE 301.A O no hydrogen 2.804 N/A HIS 305.A ND1 GLU 310.A OE2 no hydrogen 2.785 N/A ASP 306.A N GLU 310.A OE2 no hydrogen 3.001 N/A ASP 308.A N ASP 306.A OD1 no hydrogen 3.246 N/A ASP 309.A N ASP 306.A O no hydrogen 2.738 N/A ALA 313.A N SER 148.A OG no hydrogen 2.861 N/A GLN 318.A NE2 ASP 150.A O no hydrogen 3.293 N/A SER 319.A N ASP 317.A OD1 no hydrogen 3.130 N/A SER 319.A OG ASP 317.A OD1 no hydrogen 3.077 N/A SER 319.A OG ASP 317.A OD2 no hydrogen 3.439 N/A GLU 321.A N GLN 318.A O no hydrogen 2.976 N/A SER 322.A N SER 319.A O no hydrogen 3.192 N/A SER 322.A OG SER 319.A O no hydrogen 2.905 N/A ARG 323.A N PHE 320.A O no hydrogen 2.976 N/A LEU 326.A N GLU 329.A OE1 no hydrogen 2.813 N/A TRP 330.A N LEU 326.A O no hydrogen 3.010 N/A LYS 331.A N ILE 327.A O no hydrogen 2.809 N/A LYS 331.A NZ PHE 104.A O no hydrogen 2.891 N/A SER 332.A N ASP 328.A O no hydrogen 2.931 N/A LEU 333.A N GLU 329.A O no hydrogen 3.045 N/A THR 334.A N TRP 330.A O no hydrogen 2.920 N/A THR 334.A OG1 TRP 330.A O no hydrogen 2.858 N/A TYR 335.A N LYS 331.A O no hydrogen 2.883 N/A ASP 336.A N SER 332.A O no hydrogen 2.960 N/A GLU 337.A N LEU 333.A O no hydrogen 3.085 N/A VAL 338.A N THR 334.A O no hydrogen 2.895 N/A ILE 339.A N TYR 335.A O no hydrogen 3.026 N/A SER 340.A N ASP 336.A O no hydrogen 3.040 N/A SER 340.A OG ASP 336.A O no hydrogen 3.039 N/A SER 340.A OG GLU 337.A O no hydrogen 3.457 N/A PHE 341.A N VAL 338.A O no hydrogen 3.342 N/A