Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n4s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N GLN 8.A O no hydrogen 2.847 N/A GLN 8.A N VAL 5.A O no hydrogen 2.868 N/A PHE 10.A N GLU 3.A O no hydrogen 3.102 N/A ASP 11.A N TYR 93.A OH no hydrogen 3.072 N/A VAL 12.A N PHE 10.A O no hydrogen 2.947 N/A ARG 15.A NE ASP 35.A OD1 no hydrogen 3.201 N/A ARG 15.A NH1 ASP 35.A OD2 no hydrogen 3.140 N/A TYR 16.A OH ASP 79.A OD2 no hydrogen 2.800 N/A THR 17.A N TYR 34.A O no hydrogen 3.030 N/A ASN 18.A N GLU 3.A OE2 no hydrogen 2.921 N/A LEU 19.A N GLU 3.A OE1 no hydrogen 2.953 N/A SER 20.A N SER 32.A O no hydrogen 3.092 N/A ILE 22.A N VAL 30.A O no hydrogen 2.969 N/A GLY 23.A N VAL 30.A O no hydrogen 3.121 N/A GLY 25.A N GLY 28.A O no hydrogen 2.749 N/A VAL 30.A N GLY 23.A O no hydrogen 2.742 N/A CYS 31.A N ILE 44.A O no hydrogen 2.944 N/A SER 32.A N SER 20.A O no hydrogen 2.793 N/A ALA 33.A N VAL 42.A O no hydrogen 2.824 N/A TYR 34.A N THR 17.A O no hydrogen 2.847 N/A ASP 35.A N VAL 40.A O no hydrogen 2.755 N/A ASN 36.A N ARG 15.A O no hydrogen 2.979 N/A ASN 36.A ND2 PRO 14.A O no hydrogen 3.687 N/A ASN 36.A ND2 ARG 15.A O no hydrogen 3.078 N/A ASN 36.A ND2 THR 17.A OG1 no hydrogen 3.023 N/A LEU 37.A N ASP 35.A OD1 no hydrogen 2.840 N/A ASN 38.A N ASP 35.A OD1 no hydrogen 3.222 N/A LYS 39.A NZ ASN 36.A O no hydrogen 3.496 N/A VAL 40.A N ASP 35.A O no hydrogen 3.292 N/A ARG 41.A NH1 ASN 18.A O no hydrogen 3.219 N/A ARG 41.A NH2 ASN 18.A O no hydrogen 3.038 N/A ARG 41.A NH2 SER 32.A OG no hydrogen 2.691 N/A VAL 42.A N ALA 33.A O no hydrogen 2.618 N/A ALA 43.A N ALA 96.A O no hydrogen 2.841 N/A ILE 44.A N CYS 31.A O no hydrogen 2.775 N/A LYS 45.A N ILE 94.A O no hydrogen 2.919 N/A LYS 46.A N MET 29.A O no hydrogen 2.906 N/A LYS 46.A NZ VAL 9.A O no hydrogen 2.745 N/A ILE 47.A N VAL 92.A O no hydrogen 2.814 N/A SER 48.A OG ASP 91.A OD1 no hydrogen 2.449 N/A HIS 52.A N PRO 49.A O no hydrogen 3.119 N/A CYS 56.A N HIS 52.A O no hydrogen 3.358 N/A CYS 56.A SG PRO 49.A O no hydrogen 3.177 N/A CYS 56.A SG HIS 52.A O no hydrogen 3.275 N/A GLN 57.A N GLN 53.A O no hydrogen 3.068 N/A ARG 58.A N THR 54.A O no hydrogen 3.117 N/A THR 59.A N TYR 55.A O no hydrogen 2.925 N/A THR 59.A OG1 TYR 55.A O no hydrogen 2.704 N/A LEU 60.A N CYS 56.A O no hydrogen 3.067 N/A ARG 61.A N GLN 57.A O no hydrogen 3.185 N/A ARG 61.A NH1 ALA 162.A O no hydrogen 3.372 N/A GLU 62.A N ARG 58.A O no hydrogen 2.967 N/A ILE 63.A N THR 59.A O no hydrogen 3.009 N/A LYS 64.A N LEU 60.A O no hydrogen 3.178 N/A ILE 65.A N ARG 61.A O no hydrogen 3.146 N/A LEU 66.A N GLU 62.A O no hydrogen 3.019 N/A LEU 67.A N ILE 63.A O no hydrogen 3.141 N/A ARG 68.A N LYS 64.A O no hydrogen 3.236 N/A PHE 69.A N ILE 65.A O no hydrogen 2.942 N/A ARG 70.A N TYR 130.A OH no hydrogen 3.141 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 3.228 N/A ASN 73.A ND2 GLN 123.A OE1 no hydrogen 3.377 N/A ASN 73.A ND2 LEU 154.A O no hydrogen 2.993 N/A ILE 74.A N HIS 71.A O no hydrogen 3.189 N/A ILE 75.A N ILE 156.A O no hydrogen 3.123 N/A ASN 78.A N VAL 95.A O no hydrogen 2.788 N/A ASN 78.A ND2 ASP 97.A OD1 no hydrogen 2.843 N/A ILE 80.A N ASP 79.A OD1 no hydrogen 2.771 N/A ILE 81.A N TYR 93.A O no hydrogen 2.871 N/A ARG 82.A NE THR 335.A OG1 no hydrogen 3.002 N/A ARG 82.A NH1 PHE 332.A O no hydrogen 2.726 N/A ARG 82.A NH2 ALA 83.A O no hydrogen 3.308 N/A THR 85.A OG1 GLN 88.A OE1 no hydrogen 3.072 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.897 N/A GLN 88.A N THR 85.A O no hydrogen 3.043 N/A MET 89.A N THR 85.A O no hydrogen 3.196 N/A MET 89.A N ILE 86.A O no hydrogen 3.229 N/A VAL 92.A N ILE 47.A O no hydrogen 2.871 N/A TYR 93.A N ILE 81.A O no hydrogen 2.970 N/A TYR 93.A OH VAL 9.A O no hydrogen 3.125 N/A ILE 94.A N LYS 45.A O no hydrogen 2.944 N/A VAL 95.A N ASP 79.A O no hydrogen 2.815 N/A ALA 96.A N ALA 43.A O no hydrogen 2.831 N/A GLU 100.A N LEU 148.A O no hydrogen 2.693 N/A THR 101.A N LEU 148.A O no hydrogen 3.160 N/A THR 101.A OG1 ASP 102.A O no hydrogen 3.049 N/A LEU 103.A N LEU 146.A O no hydrogen 2.891 N/A LYS 105.A N ASP 102.A OD1 no hydrogen 2.749 N/A LEU 106.A N ASP 102.A O no hydrogen 3.136 N/A LEU 107.A N LEU 103.A O no hydrogen 2.994 N/A LYS 108.A N TYR 104.A O no hydrogen 3.358 N/A THR 109.A N LEU 106.A O no hydrogen 3.035 N/A THR 109.A OG1 LYS 105.A O no hydrogen 3.151 N/A THR 109.A OG1 LEU 106.A O no hydrogen 2.916 N/A GLN 110.A N LEU 106.A O no hydrogen 2.832 N/A SER 113.A OG HIS 116.A ND1 no hydrogen 2.631 N/A HIS 116.A ND1 SER 113.A OG no hydrogen 2.631 N/A ILE 117.A N SER 113.A O no hydrogen 3.052 N/A CYS 118.A N ASN 114.A O no hydrogen 2.820 N/A CYS 118.A SG TYR 296.A O no hydrogen 3.239 N/A CYS 118.A SG GLN 299.A OE1 no hydrogen 4.023 N/A TYR 119.A N ASP 115.A O no hydrogen 2.958 N/A PHE 120.A N HIS 116.A O no hydrogen 2.819 N/A LEU 121.A N ILE 117.A O no hydrogen 2.843 N/A TYR 122.A N CYS 118.A O no hydrogen 3.003 N/A TYR 122.A OH GLU 306.A OE2 no hydrogen 3.027 N/A GLN 123.A N TYR 119.A O no hydrogen 3.122 N/A GLN 123.A NE2 TYR 119.A O no hydrogen 3.469 N/A GLN 123.A NE2 CYS 152.A O no hydrogen 2.849 N/A ILE 124.A N PHE 120.A O no hydrogen 3.026 N/A LEU 125.A N LEU 121.A O no hydrogen 3.182 N/A ARG 126.A N TYR 122.A O no hydrogen 2.849 N/A ARG 126.A NE ASP 305.A O no hydrogen 2.819 N/A ARG 126.A NH1 GLU 72.A OE1 no hydrogen 3.301 N/A ARG 126.A NH1 ASN 73.A OD1 no hydrogen 2.756 N/A ARG 126.A NH2 GLU 72.A OE1 no hydrogen 3.363 N/A ARG 126.A NH2 ASP 305.A O no hydrogen 3.127 N/A GLY 127.A N GLN 123.A O no hydrogen 3.078 N/A LEU 128.A N ILE 124.A O no hydrogen 2.913 N/A LYS 129.A N LEU 125.A O no hydrogen 2.773 N/A LYS 129.A NZ GLU 306.A O no hydrogen 2.980 N/A TYR 130.A N ARG 126.A O no hydrogen 3.404 N/A ILE 131.A N GLY 127.A O no hydrogen 3.153 N/A HIS 132.A N LEU 128.A O no hydrogen 2.858 N/A HIS 132.A NE2 ASP 194.A OD2 no hydrogen 2.781 N/A SER 133.A N LYS 129.A O no hydrogen 3.011 N/A SER 133.A OG TYR 130.A O no hydrogen 2.521 N/A ALA 134.A N TYR 130.A O no hydrogen 3.257 N/A ALA 134.A N ILE 131.A O no hydrogen 3.117 N/A ASN 135.A N HIS 132.A O no hydrogen 3.031 N/A VAL 136.A N ILE 131.A O no hydrogen 3.245 N/A LEU 137.A N ARG 163.A O no hydrogen 2.804 N/A HIS 138.A N ASP 194.A OD2 no hydrogen 3.004 N/A HIS 138.A NE2 LEU 157.A O no hydrogen 2.771 N/A ARG 139.A N ASP 194.A OD1 no hydrogen 2.931 N/A ARG 139.A NE LEU 161.A O no hydrogen 2.624 N/A ARG 139.A NH2 LEU 161.A O no hydrogen 3.091 N/A ASN 145.A N LYS 142.A O no hydrogen 2.929 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.739 N/A ASN 145.A ND2 ASP 140.A OD2 no hydrogen 3.500 N/A LEU 146.A N PRO 143.A O no hydrogen 3.205 N/A LEU 147.A N LYS 155.A O no hydrogen 2.859 N/A LEU 148.A N THR 101.A O no hydrogen 2.779 N/A ASN 149.A N ASP 153.A O no hydrogen 3.073 N/A ASN 149.A ND2 ASP 153.A OD2 no hydrogen 2.997 N/A THR 151.A N ASN 149.A OD1 no hydrogen 3.076 N/A THR 151.A OG1 ASN 149.A OD1 no hydrogen 2.918 N/A THR 151.A OG1 ASP 153.A OD2 no hydrogen 2.871 N/A CYS 152.A N ASN 149.A O no hydrogen 3.110 N/A ASP 153.A N ASN 149.A OD1 no hydrogen 2.893 N/A LEU 154.A N GLN 123.A OE1 no hydrogen 3.070 N/A LYS 155.A N LEU 147.A O no hydrogen 2.831 N/A LYS 155.A NZ GLU 72.A O no hydrogen 2.732 N/A ILE 156.A N ASN 73.A O no hydrogen 2.771 N/A LEU 157.A N ASN 145.A O no hydrogen 2.884 N/A PHE 159.A N GLU 62.A OE1 no hydrogen 2.684 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 3.035 N/A ALA 162.A N PHE 159.A O no hydrogen 3.101 N/A ARG 163.A N LEU 137.A O no hydrogen 3.108 N/A ALA 165.A N ASN 135.A O no hydrogen 2.946 N/A ARG 175.A NH1 GLU 170.A O no hydrogen 3.033 N/A TRP 176.A N THR 174.A OG1 no hydrogen 2.870 N/A TRP 176.A NE1 GLY 214.A O no hydrogen 2.950 N/A TYR 177.A OH GLU 204.A OE1 no hydrogen 2.632 N/A TYR 177.A OH GLU 204.A OE2 no hydrogen 3.367 N/A ARG 178.A N ARG 175.A O no hydrogen 3.330 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.901 N/A ILE 182.A N ALA 179.A O no hydrogen 3.075 N/A MET 183.A N PRO 180.A O no hydrogen 3.127 N/A LEU 184.A N GLU 181.A O no hydrogen 3.027 N/A ASN 185.A N GLU 181.A O no hydrogen 2.991 N/A LYS 191.A NZ HIS 132.A O no hydrogen 2.894 N/A SER 192.A N THR 190.A OG1 no hydrogen 3.347 N/A SER 192.A OG GLU 181.A OE2 no hydrogen 3.420 N/A SER 192.A OG THR 190.A OG1 no hydrogen 3.066 N/A ILE 193.A N THR 190.A O no hydrogen 3.447 N/A ASP 194.A N LYS 191.A O no hydrogen 3.247 N/A TRP 196.A N SER 192.A O no hydrogen 3.058 N/A SER 197.A N ILE 193.A O no hydrogen 3.152 N/A SER 197.A OG TYR 177.A O no hydrogen 2.843 N/A SER 197.A OG ILE 193.A O no hydrogen 3.152 N/A VAL 198.A N ASP 194.A O no hydrogen 2.908 N/A GLY 199.A N ILE 195.A O no hydrogen 2.909 N/A CYS 200.A N TRP 196.A O no hydrogen 3.070 N/A CYS 200.A SG TRP 176.A O no hydrogen 4.020 N/A CYS 200.A SG TRP 196.A O no hydrogen 3.530 N/A ILE 201.A N SER 197.A O no hydrogen 3.199 N/A LEU 202.A N VAL 198.A O no hydrogen 2.931 N/A ALA 203.A N GLY 199.A O no hydrogen 3.046 N/A GLU 204.A N CYS 200.A O no hydrogen 3.093 N/A MET 205.A N ILE 201.A O no hydrogen 3.013 N/A MET 205.A N LEU 202.A O no hydrogen 2.979 N/A LEU 206.A N LEU 202.A O no hydrogen 3.074 N/A SER 207.A N ALA 203.A O no hydrogen 3.171 N/A SER 207.A OG ALA 203.A O no hydrogen 3.377 N/A ASN 208.A N GLU 204.A O no hydrogen 2.748 N/A ASN 208.A ND2 LEU 107.A O no hydrogen 2.900 N/A ASN 208.A ND2 GLN 110.A O no hydrogen 2.905 N/A ARG 209.A N SER 207.A OG no hydrogen 3.200 N/A GLY 214.A N PHE 212.A O no hydrogen 2.908 N/A GLY 214.A N GLN 220.A OE1 no hydrogen 2.992 N/A LYS 215.A N ASP 219.A OD2 no hydrogen 2.727 N/A GLN 220.A N HIS 216.A O no hydrogen 3.141 N/A GLN 220.A N TYR 217.A O no hydrogen 3.262 N/A GLN 220.A NE2 PHE 212.A O no hydrogen 2.819 N/A ASN 222.A N LEU 218.A O no hydrogen 3.295 N/A HIS 223.A N ASP 219.A O no hydrogen 2.997 N/A ILE 224.A N GLN 220.A O no hydrogen 3.186 N/A LEU 225.A N LEU 221.A O no hydrogen 2.879 N/A GLY 226.A N ASN 222.A O no hydrogen 2.849 N/A ILE 227.A N ILE 224.A O no hydrogen 3.370 N/A LEU 228.A N ILE 224.A O no hydrogen 3.027 N/A GLY 229.A N LEU 225.A O no hydrogen 2.773 N/A SER 230.A N LYS 254.A O no hydrogen 3.016 N/A ASP 235.A N SER 232.A OG no hydrogen 3.183 N/A LEU 236.A N SER 232.A O no hydrogen 2.920 N/A ASN 237.A N GLN 233.A O no hydrogen 2.911 N/A CYS 238.A N ASP 235.A O no hydrogen 3.155 N/A CYS 238.A SG GLU 234.A O no hydrogen 3.075 N/A ILE 239.A N LEU 236.A O no hydrogen 3.081 N/A ALA 244.A N ASN 241.A OD1 no hydrogen 2.967 N/A ARG 245.A N ASN 241.A O no hydrogen 3.055 N/A ARG 245.A NH1 ASN 237.A OD1 no hydrogen 2.980 N/A ASN 246.A N LEU 242.A O no hydrogen 3.056 N/A ASN 246.A ND2 LEU 242.A O no hydrogen 2.704 N/A TYR 247.A N LYS 243.A O no hydrogen 2.816 N/A LEU 248.A N ALA 244.A O no hydrogen 2.916 N/A LEU 249.A N ARG 245.A O no hydrogen 3.018 N/A SER 250.A N ASN 246.A O no hydrogen 3.031 N/A SER 250.A N TYR 247.A O no hydrogen 3.174 N/A SER 250.A OG TYR 247.A O no hydrogen 2.589 N/A LEU 251.A N LEU 248.A O no hydrogen 3.304 N/A LYS 254.A N SER 230.A OG no hydrogen 3.123 N/A VAL 257.A N ILE 227.A O no hydrogen 2.806 N/A TRP 259.A NE1 ASP 275.A OD1 no hydrogen 2.733 N/A ARG 261.A N PRO 258.A O no hydrogen 3.039 N/A LEU 262.A N PRO 258.A O no hydrogen 3.449 N/A PHE 263.A N TRP 259.A O no hydrogen 2.803 N/A ALA 266.A N PHE 263.A O no hydrogen 3.321 N/A LEU 271.A N ASP 267.A O no hydrogen 3.114 N/A ASP 272.A N SER 268.A O no hydrogen 3.015 N/A LEU 273.A N LYS 269.A O no hydrogen 3.022 N/A LEU 274.A N ALA 270.A O no hydrogen 2.818 N/A ASP 275.A N LEU 271.A O no hydrogen 2.844 N/A LYS 276.A N ASP 272.A O no hydrogen 3.207 N/A LYS 276.A NZ ASP 272.A OD2 no hydrogen 3.166 N/A MET 277.A N LEU 273.A O no hydrogen 2.967 N/A MET 277.A N LEU 274.A O no hydrogen 3.131 N/A LEU 278.A N LEU 274.A O no hydrogen 2.904 N/A THR 279.A OG1 ASP 275.A O no hydrogen 3.101 N/A THR 279.A OG1 LYS 276.A O no hydrogen 3.349 N/A HIS 283.A N ASN 281.A OD1 no hydrogen 2.926 N/A LYS 284.A N ASN 281.A O no hydrogen 3.172 N/A LYS 284.A NZ GLU 234.A OE1 no hydrogen 2.845 N/A ARG 285.A N PRO 282.A O no hydrogen 3.380 N/A ARG 285.A NE THR 279.A O no hydrogen 2.861 N/A ARG 285.A NH1 GLU 181.A OE1 no hydrogen 3.427 N/A ARG 285.A NH1 GLU 181.A OE2 no hydrogen 2.864 N/A ARG 285.A NH1 SER 192.A O no hydrogen 2.866 N/A ARG 285.A NH2 GLU 181.A OE1 no hydrogen 2.991 N/A ARG 285.A NH2 THR 279.A O no hydrogen 2.866 N/A ILE 286.A N LYS 276.A O no hydrogen 3.236 N/A GLU 287.A N GLN 290.A OE1 no hydrogen 3.177 N/A ALA 291.A N GLU 287.A O no hydrogen 2.901 N/A LEU 292.A N VAL 288.A O no hydrogen 2.993 N/A ALA 293.A N GLU 289.A O no hydrogen 3.254 N/A ALA 293.A N GLN 290.A O no hydrogen 3.186 N/A HIS 294.A N ALA 291.A O no hydrogen 3.081 N/A HIS 294.A NE2 ASP 272.A OD2 no hydrogen 2.600 N/A TYR 296.A N HIS 294.A ND1 no hydrogen 3.256 N/A TYR 296.A OH ASN 114.A OD1 no hydrogen 2.761 N/A LEU 297.A N HIS 294.A O no hydrogen 3.012 N/A GLU 298.A N PRO 295.A O no hydrogen 3.115 N/A TYR 300.A N LEU 297.A O no hydrogen 3.163 N/A TYR 301.A N LEU 297.A O no hydrogen 2.930 N/A ASP 302.A N GLU 306.A OE2 no hydrogen 3.067 N/A SER 304.A OG ASP 302.A OD1 no hydrogen 2.505 N/A ASP 305.A N ASP 302.A O no hydrogen 2.762 N/A ALA 309.A N SER 133.A OG no hydrogen 2.789 N/A PHE 313.A N ALA 134.A O no hydrogen 2.873 N/A GLU 318.A N ASP 316.A OD1 no hydrogen 3.096 N/A LEU 319.A N ASP 316.A O no hydrogen 3.305 N/A ASP 320.A N MET 317.A O no hydrogen 3.262 N/A LEU 322.A N LEU 319.A O no hydrogen 3.284 N/A LYS 326.A N PRO 323.A O no hydrogen 2.690 N/A LEU 327.A N PRO 323.A O no hydrogen 3.180 N/A LYS 328.A N LYS 324.A O no hydrogen 3.255 N/A LYS 328.A NZ MET 89.A O no hydrogen 2.993 N/A GLU 329.A N LYS 326.A O no hydrogen 3.112 N/A LEU 330.A N LYS 326.A O no hydrogen 3.178 N/A ILE 331.A N LEU 327.A O no hydrogen 3.018 N/A PHE 332.A N LYS 328.A O no hydrogen 3.189 N/A GLU 333.A N GLU 329.A O no hydrogen 3.108 N/A GLU 334.A N LEU 330.A O no hydrogen 2.898 N/A THR 335.A N ILE 331.A O no hydrogen 3.123 N/A THR 335.A OG1 ILE 331.A O no hydrogen 2.749 N/A THR 335.A OG1 PHE 332.A O no hydrogen 3.128 N/A ALA 336.A N GLU 333.A O no hydrogen 3.276 N/A PHE 338.A N THR 335.A O no hydrogen 3.395 N/A GLN 339.A N ALA 336.A O no hydrogen 3.209 N/A