Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nqa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N TRP 115.A O no hydrogen 3.051 N/A LYS 4.A NZ ASP 9.A OD1 no hydrogen 2.943 N/A TYR 5.A N GLU 117.A O no hydrogen 3.016 N/A GLY 7.A N LYS 4.A O no hydrogen 2.977 N/A GLN 8.A N TYR 5.A O no hydrogen 3.441 N/A GLN 8.A NE2 ASP 26.A OD1 no hydrogen 2.955 N/A THR 12.A N ASP 9.A OD2 no hydrogen 2.896 N/A THR 12.A OG1 ASP 9.A OD2 no hydrogen 3.236 N/A LEU 13.A N ASP 9.A O no hydrogen 3.015 N/A ARG 14.A N PHE 10.A O no hydrogen 2.797 N/A GLN 15.A N LYS 11.A O no hydrogen 3.094 N/A GLN 16.A N THR 12.A O no hydrogen 3.061 N/A CYS 17.A N LEU 13.A O no hydrogen 3.215 N/A CYS 17.A SG LEU 13.A O no hydrogen 3.383 N/A LEU 18.A N ARG 14.A O no hydrogen 2.858 N/A ASP 19.A N GLN 15.A O no hydrogen 2.871 N/A SER 20.A N GLN 16.A O no hydrogen 2.950 N/A SER 20.A OG GLN 16.A O no hydrogen 3.092 N/A GLY 21.A N LEU 18.A O no hydrogen 3.162 N/A VAL 22.A N CYS 17.A O no hydrogen 3.016 N/A PHE 24.A N ALA 102.A O no hydrogen 2.852 N/A ASP 26.A N ASP 121.A OD2 no hydrogen 3.063 N/A GLU 28.A N ASP 26.A OD1 no hydrogen 3.074 N/A PHE 29.A N ASP 26.A O no hydrogen 3.367 N/A GLY 36.A N PRO 32.A O no hydrogen 2.995 N/A TYR 37.A N PRO 32.A O no hydrogen 3.266 N/A ILE 42.A N THR 126.A O no hydrogen 3.127 N/A LYS 44.A N LEU 124.A O no hydrogen 2.958 N/A ARG 45.A N GLU 48.A OE1 no hydrogen 2.892 N/A THR 47.A OG1 TYR 101.A OH no hydrogen 2.840 N/A GLU 48.A N ARG 45.A O no hydrogen 2.878 N/A LEU 49.A N ARG 45.A O no hydrogen 3.211 N/A GLN 53.A N ASN 140.A O no hydrogen 2.915 N/A GLN 53.A NE2 SER 51.A O no hydrogen 3.380 N/A VAL 56.A N GLU 141.A OE2 no hydrogen 2.857 N/A ALA 59.A N TYR 88.A OH no hydrogen 3.181 N/A THR 60.A N ASP 63.A OD2 no hydrogen 2.897 N/A THR 60.A OG1 ASP 63.A OD1 no hydrogen 3.513 N/A ARG 61.A NE GLU 286.A OE1 no hydrogen 3.265 N/A ARG 61.A NE GLU 286.A OE2 no hydrogen 3.013 N/A ARG 61.A NH2 GLU 286.A OE1 no hydrogen 2.885 N/A ASP 63.A N THR 60.A O no hydrogen 3.136 N/A ILE 64.A N ARG 61.A O no hydrogen 2.864 N/A GLN 65.A NE2 LEU 68.A O no hydrogen 2.861 N/A GLY 67.A N LEU 132.A O no hydrogen 2.840 N/A LEU 68.A N GLY 66.A O no hydrogen 2.894 N/A TRP 72.A NE1 GLU 302.A OE1 no hydrogen 3.260 N/A LEU 74.A N ASP 70.A O no hydrogen 3.288 N/A ALA 75.A N CYS 71.A O no hydrogen 2.798 N/A ALA 76.A N TRP 72.A O no hydrogen 2.972 N/A ILE 77.A N LEU 73.A O no hydrogen 2.873 N/A ALA 78.A N LEU 74.A O no hydrogen 3.009 N/A SER 79.A N ALA 75.A O no hydrogen 2.918 N/A SER 79.A OG ALA 75.A O no hydrogen 3.174 N/A SER 79.A OG LEU 202.A O no hydrogen 3.049 N/A SER 79.A OG SER 229.A OG no hydrogen 3.391 N/A LEU 80.A N ALA 76.A O no hydrogen 2.883 N/A THR 81.A N ILE 77.A O no hydrogen 3.007 N/A THR 81.A OG1 ALA 78.A O no hydrogen 2.462 N/A LEU 82.A N SER 79.A O no hydrogen 3.246 N/A ASN 83.A N LEU 80.A O no hydrogen 3.016 N/A ASN 83.A ND2 GLY 199.A O no hydrogen 2.964 N/A LEU 86.A N ASN 83.A OD1 no hydrogen 3.285 N/A LEU 87.A N ASN 83.A O no hydrogen 2.933 N/A TYR 88.A N GLU 84.A O no hydrogen 3.049 N/A ARG 89.A N LEU 86.A O no hydrogen 3.244 N/A VAL 90.A N LEU 86.A O no hydrogen 3.170 N/A VAL 91.A N LEU 87.A O no hydrogen 2.708 N/A GLN 95.A N ARG 93.A O no hydrogen 2.836 N/A GLN 98.A N ASP 96.A OD2 no hydrogen 2.876 N/A GLU 99.A N ASP 96.A OD2 no hydrogen 3.112 N/A TYR 101.A OH THR 47.A OG1 no hydrogen 2.840 N/A TYR 101.A OH ASP 122.A OD2 no hydrogen 2.738 N/A PHE 105.A N ILE 120.A O no hydrogen 2.880 N/A PHE 107.A N VAL 118.A O no hydrogen 2.969 N/A GLN 108.A N VAL 90.A O no hydrogen 2.976 N/A GLN 108.A NE2 GLU 117.A OE1 no hydrogen 3.359 N/A PHE 109.A N VAL 116.A O no hydrogen 2.749 N/A TRP 110.A N GLY 168.A O no hydrogen 3.047 N/A GLN 111.A N GLU 114.A O no hydrogen 2.987 N/A GLN 111.A NE2 GLU 167.A OE1 no hydrogen 3.121 N/A VAL 116.A N PHE 109.A O no hydrogen 2.652 N/A GLU 117.A N LEU 3.A O no hydrogen 2.786 N/A VAL 118.A N PHE 107.A O no hydrogen 2.847 N/A ILE 120.A N PHE 105.A O no hydrogen 2.847 N/A ASP 122.A N GLY 103.A O no hydrogen 3.222 N/A ARG 123.A N ASP 121.A OD1 no hydrogen 2.932 N/A ARG 123.A NE ASP 121.A OD1 no hydrogen 3.141 N/A ARG 123.A NE ASP 121.A OD2 no hydrogen 3.435 N/A ARG 123.A NH2 ASP 121.A OD2 no hydrogen 2.994 N/A LEU 124.A N LYS 44.A O no hydrogen 2.882 N/A THR 126.A N ILE 42.A O no hydrogen 3.022 N/A THR 126.A OG1 ILE 42.A O no hydrogen 2.822 N/A LYS 127.A N GLN 130.A O no hydrogen 2.834 N/A GLN 130.A N LYS 127.A O no hydrogen 3.328 N/A LEU 132.A N PRO 125.A O no hydrogen 3.173 N/A LEU 134.A N GLU 148.A OE1 no hydrogen 2.964 N/A HIS 135.A ND1 PHE 133.A O no hydrogen 2.986 N/A SER 136.A OG GLU 141.A OE1 no hydrogen 2.672 N/A GLN 138.A N SER 136.A OG no hydrogen 3.413 N/A ASN 140.A ND2 SER 51.A O no hydrogen 2.618 N/A GLU 141.A N GLN 138.A O no hydrogen 2.901 N/A PHE 142.A N GLN 53.A O no hydrogen 3.177 N/A TRP 143.A N PHE 54.A O no hydrogen 3.004 N/A TRP 143.A NE1 ASP 63.A OD2 no hydrogen 2.877 N/A SER 144.A OG ASP 63.A O no hydrogen 2.809 N/A LEU 146.A N PHE 142.A O no hydrogen 3.121 N/A LEU 147.A N TRP 143.A O no hydrogen 2.937 N/A GLU 148.A N SER 144.A O no hydrogen 3.238 N/A LYS 149.A N ALA 145.A O no hydrogen 3.251 N/A LYS 149.A NZ ASP 121.A O no hydrogen 3.011 N/A LYS 149.A NZ ASP 121.A OD1 no hydrogen 3.092 N/A LYS 149.A NZ ARG 123.A O no hydrogen 2.641 N/A ALA 150.A N LEU 146.A O no hydrogen 2.990 N/A TYR 151.A N LEU 147.A O no hydrogen 3.062 N/A ALA 152.A N GLU 148.A O no hydrogen 2.907 N/A LYS 153.A N LYS 149.A O no hydrogen 2.806 N/A LYS 153.A NZ GLN 8.A OE1 no hydrogen 2.583 N/A LYS 153.A NZ ASP 26.A OD1 no hydrogen 3.222 N/A LYS 153.A NZ ASP 26.A OD2 no hydrogen 2.626 N/A LYS 153.A NZ VAL 119.A O no hydrogen 2.887 N/A LEU 154.A N ALA 150.A O no hydrogen 3.207 N/A ASN 155.A N TYR 151.A O no hydrogen 2.840 N/A ASN 155.A ND2 TYR 151.A O no hydrogen 2.949 N/A ASN 155.A ND2 GLU 167.A O no hydrogen 3.085 N/A GLY 156.A N LYS 153.A O no hydrogen 3.236 N/A TYR 157.A N ALA 34.A O no hydrogen 2.752 N/A GLU 158.A N LEU 35.A O no hydrogen 3.029 N/A LEU 160.A N TYR 157.A O no hydrogen 2.878 N/A ALA 161.A N GLU 158.A O no hydrogen 2.923 N/A GLY 162.A N GLY 69.A O no hydrogen 3.282 N/A THR 165.A OG1 VAL 166.A O no hydrogen 3.499 N/A GLU 167.A N ASN 155.A OD1 no hydrogen 2.986 N/A PHE 169.A N VAL 166.A O no hydrogen 2.985 N/A THR 173.A OG1 PHE 172.A O no hydrogen 2.505 N/A GLY 174.A N ASP 171.A O no hydrogen 2.644 N/A GLY 175.A N PHE 172.A O no hydrogen 3.314 N/A GLU 178.A N ILE 303.A O no hydrogen 2.876 N/A TYR 180.A N LEU 301.A O no hydrogen 2.806 N/A TYR 180.A OH GLU 178.A OE1 no hydrogen 3.142 N/A LEU 182.A N SER 299.A O no hydrogen 3.102 N/A LYS 183.A N ASP 181.A OD1 no hydrogen 3.097 N/A LYS 183.A NZ VAL 295.A O no hydrogen 2.772 N/A LYS 183.A NZ ARG 296.A O no hydrogen 3.426 N/A LYS 184.A N ASP 181.A O no hydrogen 3.148 N/A LEU 189.A N PRO 186.A O no hydrogen 3.266 N/A GLN 191.A N GLN 191.A OE1 no hydrogen 3.038 N/A ILE 192.A N ASN 188.A O no hydrogen 3.153 N/A ILE 193.A N LEU 189.A O no hydrogen 3.004 N/A ARG 194.A N TYR 190.A O no hydrogen 2.854 N/A LYS 195.A N GLN 191.A O no hydrogen 2.789 N/A ALA 196.A N ILE 192.A O no hydrogen 3.100 N/A LEU 197.A N ILE 193.A O no hydrogen 3.006 N/A GLY 199.A N LEU 197.A O no hydrogen 3.322 N/A SER 200.A N ALA 196.A O no hydrogen 2.980 N/A SER 200.A OG ASN 305.A OD1 no hydrogen 3.100 N/A LEU 201.A N CYS 304.A O.A no hydrogen 3.208 N/A LEU 201.A N CYS 304.A O.B no hydrogen 3.232 N/A GLY 203.A N GLU 302.A O no hydrogen 3.043 N/A CYS 204.A N TYR 228.A O no hydrogen 3.096 N/A ASP 207.A N SER 299.A OG no hydrogen 2.635 N/A GLU 213.A N SER 210.A O no hydrogen 3.034 N/A ALA 214.A N ALA 211.A O no hydrogen 3.184 N/A GLU 215.A N LYS 224.A O no hydrogen 3.059 N/A ALA 216.A N GLU 213.A O no hydrogen 3.038 N/A THR 218.A N LEU 222.A O no hydrogen 2.718 N/A THR 218.A OG1 LEU 222.A O no hydrogen 3.458 N/A GLN 220.A N THR 218.A OG1 no hydrogen 3.249 N/A LYS 221.A N THR 218.A O no hydrogen 3.209 N/A LEU 222.A N THR 218.A OG1 no hydrogen 3.009 N/A VAL 223.A N TYR 228.A OH no hydrogen 2.900 N/A LYS 224.A N ALA 216.A O no hydrogen 2.784 N/A SER 225.A N ILE 206.A O no hydrogen 2.724 N/A HIS 226.A NE2 ASN 250.A OD1 no hydrogen 2.699 N/A TYR 228.A N CYS 204.A O no hydrogen 2.932 N/A SER 229.A N ARG 249.A O no hydrogen 2.946 N/A SER 229.A OG ALA 75.A O no hydrogen 2.514 N/A SER 229.A OG SER 79.A OG no hydrogen 3.391 N/A VAL 230.A N LEU 202.A O no hydrogen 2.979 N/A THR 231.A N ARG 247.A O no hydrogen 2.757 N/A THR 231.A OG1 GLU 286.A OE2 no hydrogen 2.539 N/A GLU 234.A N LEU 245.A O no hydrogen 3.103 N/A VAL 236.A N GLU 243.A O no hydrogen 3.085 N/A PHE 238.A N HIS 241.A O no hydrogen 3.044 N/A HIS 241.A ND1 PRO 242.A O no hydrogen 2.930 N/A LEU 245.A N GLU 234.A O no hydrogen 2.832 N/A ILE 246.A N MET 289.A O no hydrogen 2.914 N/A ARG 247.A N GLY 232.A O no hydrogen 2.692 N/A ARG 247.A NE THR 231.A OG1 no hydrogen 2.960 N/A ARG 247.A NH2 THR 231.A O no hydrogen 3.011 N/A LEU 248.A N PHE 287.A O no hydrogen 2.853 N/A ARG 249.A N SER 229.A O no hydrogen 2.739 N/A ARG 249.A NH1 ILE 64.A O no hydrogen 2.959 N/A ARG 249.A NH2 ILE 64.A O no hydrogen 2.802 N/A ASN 250.A N GLY 285.A O no hydrogen 2.785 N/A TRP 252.A N ASN 250.A OD1 no hydrogen 3.075 N/A GLY 253.A N ASN 250.A O no hydrogen 2.767 N/A TRP 256.A NE1 ALA 259.A O no hydrogen 2.928 N/A SER 257.A N GLN 220.A O no hydrogen 2.891 N/A TRP 260.A N GLU 266.A OE1 no hydrogen 3.104 N/A SER 261.A N GLY 258.A O no hydrogen 3.036 N/A SER 261.A OG GLY 258.A O no hydrogen 2.845 N/A ALA 264.A N SER 261.A O no hydrogen 2.693 N/A TRP 267.A NE1 SER 261.A O no hydrogen 3.056 N/A ASN 268.A N PRO 265.A O no hydrogen 3.268 N/A HIS 269.A N GLU 266.A O no hydrogen 3.003 N/A ARG 274.A NH1 GLU 277.A OE1 no hydrogen 3.152 N/A ARG 274.A NH2 GLU 234.A OE1 no hydrogen 2.895 N/A ARG 274.A NH2 GLU 235.A O no hydrogen 2.929 N/A LYS 275.A N ASP 271.A O no hydrogen 3.306 N/A LYS 275.A NZ ASP 279.A OD2 no hydrogen 3.490 N/A GLU 276.A N PRO 272.A O no hydrogen 3.135 N/A GLU 277.A N ARG 273.A O no hydrogen 3.217 N/A LEU 278.A N ARG 274.A O no hydrogen 3.040 N/A ASP 279.A N LYS 275.A O no hydrogen 2.916 N/A LYS 280.A N LEU 278.A O no hydrogen 2.950 N/A LYS 280.A NZ GLU 276.A O no hydrogen 3.440 N/A ASP 284.A N GLU 255.A OE2 no hydrogen 2.853 N/A GLY 285.A N GLU 255.A OE2 no hydrogen 2.898 N/A GLU 286.A N ASP 284.A OD1 no hydrogen 2.986 N/A PHE 287.A N LEU 248.A O no hydrogen 2.913 N/A TRP 288.A NE1 LEU 278.A O no hydrogen 2.955 N/A MET 289.A N ILE 246.A O no hydrogen 3.079 N/A LEU 291.A N LYS 244.A O no hydrogen 2.829 N/A ASP 293.A N SER 290.A OG no hydrogen 3.004 N/A PHE 294.A N SER 290.A O no hydrogen 2.842 N/A VAL 295.A N LEU 291.A O no hydrogen 3.034 N/A ARG 296.A N SER 292.A O no hydrogen 3.230 N/A GLN 297.A N ASP 293.A O no hydrogen 3.052 N/A PHE 298.A N PHE 294.A O no hydrogen 3.069 N/A SER 299.A N SER 205.A O no hydrogen 2.847 N/A ARG 300.A NH1 ASP 207.A OD2 no hydrogen 3.183 N/A ARG 300.A NH2 ASP 207.A OD1 no hydrogen 2.576 N/A ARG 300.A NH2 ASP 207.A OD2 no hydrogen 3.440 N/A LEU 301.A N TYR 180.A O no hydrogen 3.136 N/A GLU 302.A N GLY 203.A O no hydrogen 2.806 N/A ILE 303.A N GLU 178.A O no hydrogen 2.884 N/A CYS 304.A N.A LEU 201.A O no hydrogen 2.835 N/A CYS 304.A N.B LEU 201.A O no hydrogen 2.835 N/A CYS 304.A SG.B LEU 201.A O no hydrogen 4.006 N/A CYS 304.A SG.B GLU 302.A OE2 no hydrogen 3.423 N/A ASN 305.A N ILE 176.A O no hydrogen 3.222 N/A