Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3crx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N THR 1.A O no hydrogen 2.768 N/A ARG 6.A N SER 2.A O no hydrogen 3.305 N/A LYS 7.A N ASP 3.A O no hydrogen 2.919 N/A LYS 7.A NZ ASP 11.A OD1 no hydrogen 3.135 N/A LYS 7.A NZ ASP 11.A OD2 no hydrogen 3.095 N/A ASN 8.A N GLU 4.A O no hydrogen 2.889 N/A ASN 8.A ND2 SER 84.A O no hydrogen 2.976 N/A LEU 9.A N VAL 5.A O no hydrogen 2.896 N/A MET 10.A N ARG 6.A O no hydrogen 3.047 N/A ASP 11.A N LYS 7.A O no hydrogen 2.745 N/A MET 12.A N ASN 8.A O no hydrogen 2.930 N/A PHE 13.A N LEU 9.A O no hydrogen 3.143 N/A ARG 14.A N MET 10.A O no hydrogen 2.988 N/A ASP 15.A N ASP 11.A O no hydrogen 3.121 N/A ARG 16.A N PHE 13.A O no hydrogen 3.213 N/A ARG 16.A NH1 PHE 13.A O no hydrogen 2.702 N/A ALA 18.A N ASP 15.A O no hydrogen 2.973 N/A PHE 19.A N ARG 16.A O no hydrogen 2.982 N/A TRP 24.A N SER 20.A O no hydrogen 3.147 N/A TRP 24.A NE1 ARG 16.A O no hydrogen 2.845 N/A LYS 25.A N GLU 21.A O no hydrogen 3.176 N/A LYS 25.A NZ GLU 21.A OE2 no hydrogen 3.522 N/A MET 26.A N HIS 22.A O no hydrogen 3.145 N/A LEU 27.A N THR 23.A O no hydrogen 3.244 N/A LEU 28.A N TRP 24.A O no hydrogen 2.853 N/A SER 29.A N LYS 25.A O no hydrogen 2.882 N/A VAL 30.A N MET 26.A O no hydrogen 3.060 N/A CYS 31.A N LEU 27.A O no hydrogen 3.004 N/A CYS 31.A SG LEU 27.A O no hydrogen 3.091 N/A ARG 32.A N LEU 28.A O no hydrogen 2.904 N/A SER 33.A N SER 29.A O no hydrogen 3.050 N/A TRP 34.A N VAL 30.A O no hydrogen 2.726 N/A TRP 34.A NE1 TRP 45.A O no hydrogen 2.701 N/A ALA 35.A N CYS 31.A O no hydrogen 3.008 N/A ALA 36.A N ARG 32.A O no hydrogen 3.059 N/A TRP 37.A N SER 33.A O no hydrogen 3.080 N/A CYS 38.A N TRP 34.A O no hydrogen 2.973 N/A CYS 38.A SG TRP 34.A O no hydrogen 3.532 N/A CYS 38.A SG LYS 44.A O no hydrogen 3.807 N/A LYS 39.A N ALA 35.A O no hydrogen 2.884 N/A LEU 40.A N ALA 36.A O no hydrogen 2.926 N/A ASN 41.A N TRP 37.A O no hydrogen 2.916 N/A ASN 41.A N CYS 38.A O no hydrogen 3.099 N/A ASN 41.A ND2 TRP 37.A O no hydrogen 3.182 N/A ARG 43.A N CYS 38.A O no hydrogen 3.041 N/A ARG 43.A NE ASP 52.A OD1 no hydrogen 3.375 N/A ARG 43.A NH2 ASP 55.A OD2 no hydrogen 2.492 N/A ALA 48.A N HIS 81.A NE2 no hydrogen 2.903 N/A VAL 53.A N GLU 49.A O no hydrogen 2.878 N/A ARG 54.A N PRO 50.A O no hydrogen 2.809 N/A ASP 55.A N GLU 51.A O no hydrogen 2.954 N/A TYR 56.A N ASP 52.A O no hydrogen 2.916 N/A TYR 56.A OH SER 33.A OG no hydrogen 2.505 N/A TYR 56.A OH HIS 73.A ND1 no hydrogen 2.679 N/A LEU 57.A N VAL 53.A O no hydrogen 2.889 N/A LEU 58.A N ARG 54.A O no hydrogen 2.944 N/A TYR 59.A N TYR 56.A O no hydrogen 2.908 N/A LEU 60.A N TYR 56.A O no hydrogen 2.927 N/A GLN 61.A N LEU 57.A O no hydrogen 3.109 N/A GLN 61.A NE2 GLU 105.A OE1 no hydrogen 2.866 N/A GLN 61.A NE2 ASN 106.A OD1 no hydrogen 3.041 N/A ARG 63.A N TYR 59.A O no hydrogen 2.957 N/A GLY 64.A N GLN 61.A O no hydrogen 2.853 N/A LEU 65.A N LEU 60.A O no hydrogen 3.287 N/A VAL 67.A N GLU 111.A OE2 no hydrogen 2.791 N/A ILE 70.A N ALA 66.A O no hydrogen 3.159 N/A GLN 71.A N VAL 67.A O no hydrogen 2.802 N/A GLN 72.A N LYS 68.A O no hydrogen 3.156 N/A HIS 73.A N THR 69.A O no hydrogen 2.934 N/A HIS 73.A ND1 TYR 56.A OH no hydrogen 2.679 N/A LEU 74.A N ILE 70.A O no hydrogen 3.128 N/A GLY 75.A N GLN 71.A O no hydrogen 2.696 N/A GLN 76.A N GLN 72.A O no hydrogen 2.934 N/A GLN 76.A NE2 GLN 72.A OE1 no hydrogen 3.178 N/A LEU 77.A N HIS 73.A O no hydrogen 3.233 N/A ASN 78.A N LEU 74.A O no hydrogen 2.760 N/A ASN 78.A ND2 SER 90.A OG no hydrogen 2.627 N/A MET 79.A N GLY 75.A O no hydrogen 3.044 N/A LEU 80.A N GLN 76.A O no hydrogen 3.003 N/A HIS 81.A N LEU 77.A O no hydrogen 3.186 N/A HIS 81.A N ASN 78.A O no hydrogen 3.033 N/A HIS 81.A ND1 LEU 77.A O no hydrogen 2.864 N/A ARG 82.A N ASN 78.A O no hydrogen 2.841 N/A ARG 83.A N MET 79.A O no hydrogen 2.794 N/A SER 84.A N HIS 81.A O no hydrogen 2.860 N/A SER 84.A OG LEU 80.A O no hydrogen 2.831 N/A GLY 85.A N ARG 82.A O no hydrogen 2.977 N/A LEU 86.A N HIS 81.A O no hydrogen 2.885 N/A ARG 88.A N ASP 91.A OD2 no hydrogen 3.119 N/A ARG 88.A NE ASP 91.A OD1 no hydrogen 3.235 N/A ARG 88.A NE ASP 91.A OD2 no hydrogen 3.274 N/A ARG 88.A NH2 ASP 91.A OD1 no hydrogen 3.240 N/A SER 90.A N ASN 78.A OD1 no hydrogen 2.937 N/A ASP 91.A N ARG 88.A O no hydrogen 2.781 N/A SER 92.A N PRO 89.A O no hydrogen 3.126 N/A SER 92.A OG PRO 89.A O no hydrogen 2.470 N/A SER 96.A N SER 92.A O no hydrogen 3.051 N/A SER 96.A OG SER 90.A O no hydrogen 2.975 N/A SER 96.A OG SER 92.A O no hydrogen 2.834 N/A LEU 97.A N ASN 93.A O no hydrogen 2.874 N/A VAL 98.A N ALA 94.A O no hydrogen 3.034 N/A MET 99.A N VAL 95.A O no hydrogen 2.952 N/A ARG 100.A N SER 96.A O no hydrogen 3.311 N/A ARG 101.A N LEU 97.A O no hydrogen 3.009 N/A ILE 102.A N VAL 98.A O no hydrogen 2.930 N/A ARG 103.A N MET 99.A O no hydrogen 2.985 N/A LYS 104.A N ARG 100.A O no hydrogen 3.080 N/A GLU 105.A N ARG 101.A O no hydrogen 2.887 N/A ASN 106.A N ILE 102.A O no hydrogen 2.906 N/A ASN 106.A ND2 GLU 111.A OE1 no hydrogen 3.299 N/A VAL 107.A N ARG 103.A O no hydrogen 3.189 N/A ASP 108.A N LYS 104.A O no hydrogen 3.000 N/A ALA 109.A N GLU 105.A O no hydrogen 2.747 N/A GLY 110.A N VAL 107.A O no hydrogen 3.370 N/A LYS 114.A NZ ARG 112.A O no hydrogen 3.349 N/A PHE 119.A N SER 272.A O no hydrogen 2.718 N/A GLU 120.A N ASP 123.A OD2 no hydrogen 3.208 N/A ARG 121.A N ASP 280.A OD2 no hydrogen 2.952 N/A ASP 123.A N GLU 120.A O no hydrogen 2.810 N/A PHE 124.A N GLU 120.A O no hydrogen 2.817 N/A ASP 125.A N ARG 121.A O no hydrogen 2.715 N/A GLN 126.A N THR 122.A O no hydrogen 3.278 N/A GLN 126.A NE2 TYR 255.A OH no hydrogen 3.475 N/A VAL 127.A N ASP 123.A O no hydrogen 3.036 N/A ARG 128.A N PHE 124.A O no hydrogen 2.829 N/A SER 129.A N GLN 126.A O no hydrogen 3.278 N/A SER 129.A OG ASP 125.A O no hydrogen 2.685 N/A LEU 130.A N GLN 126.A O no hydrogen 3.282 N/A MET 131.A N VAL 127.A O no hydrogen 3.004 N/A SER 134.A OG ASP 139.A OD2 no hydrogen 2.911 N/A ARG 136.A N SER 134.A OG no hydrogen 3.361 N/A ILE 140.A N ARG 136.A O no hydrogen 2.979 N/A ARG 141.A N CYS 137.A O no hydrogen 2.970 N/A ARG 141.A NE CYS 222.A O no hydrogen 3.210 N/A ARG 141.A NH1 ASN 142.A OD1 no hydrogen 2.638 N/A ASN 142.A N GLN 138.A O no hydrogen 2.915 N/A LEU 143.A N ASP 139.A O no hydrogen 3.152 N/A ALA 144.A N ILE 140.A O no hydrogen 3.353 N/A PHE 145.A N ARG 141.A O no hydrogen 2.841 N/A LEU 146.A N ASN 142.A O no hydrogen 2.819 N/A GLY 147.A N ALA 144.A O no hydrogen 2.989 N/A ILE 148.A N ALA 144.A O no hydrogen 2.986 N/A ALA 149.A N PHE 145.A O no hydrogen 3.046 N/A TYR 150.A OH ASP 280.A OD2 no hydrogen 2.694 N/A ASN 151.A N GLY 147.A O no hydrogen 2.857 N/A THR 152.A N ILE 148.A O no hydrogen 2.668 N/A THR 152.A N ALA 149.A O no hydrogen 2.947 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.622 N/A LEU 153.A N ALA 149.A O no hydrogen 2.698 N/A LEU 154.A N THR 152.A OG1 no hydrogen 3.195 N/A LYS 155.A N GLU 158.A OE1 no hydrogen 2.990 N/A ILE 159.A N LYS 155.A O no hydrogen 3.119 N/A ALA 160.A N ILE 156.A O no hydrogen 2.923 N/A ARG 161.A N ALA 157.A O no hydrogen 3.224 N/A ARG 163.A NE ASN 217.A O no hydrogen 2.855 N/A ARG 163.A NH2 ALA 234.A O no hydrogen 2.694 N/A VAL 164.A N ASN 218.A O no hydrogen 2.903 N/A LYS 165.A N PRO 216.A O no hydrogen 2.929 N/A ILE 167.A N VAL 164.A O no hydrogen 3.002 N/A SER 168.A N LEU 176.A O no hydrogen 2.720 N/A ARG 174.A NH1 ASP 171.A O no hydrogen 2.776 N/A LEU 176.A N SER 168.A O no hydrogen 2.738 N/A ILE 177.A N LYS 193.A O no hydrogen 2.946 N/A HIS 178.A N ASP 166.A O no hydrogen 3.150 N/A ARG 181.A NH1 GLU 158.A OE1 no hydrogen 2.567 N/A ARG 181.A NH2 LEU 153.A O no hydrogen 3.491 N/A THR 182.A OG1 ARG 181.A O no hydrogen 2.307 N/A THR 184.A OG1 THR 184.A O no hydrogen 2.121 N/A VAL 186.A N THR 184.A O no hydrogen 2.639 N/A THR 188.A N THR 182.A OG1 no hydrogen 3.132 N/A THR 188.A OG1 GLY 190.A O no hydrogen 3.154 N/A LYS 193.A NZ ALA 294.A O no hydrogen 2.712 N/A THR 200.A N SER 196.A O no hydrogen 3.369 N/A LEU 202.A N VAL 199.A O no hydrogen 3.077 N/A VAL 203.A N VAL 199.A O no hydrogen 3.009 N/A GLU 204.A N THR 200.A O no hydrogen 2.924 N/A ARG 205.A NH1 SER 134.A O no hydrogen 3.136 N/A TRP 206.A NE1 LEU 220.A O no hydrogen 2.745 N/A ILE 207.A N VAL 203.A O no hydrogen 3.221 N/A SER 208.A N GLU 204.A O no hydrogen 2.991 N/A SER 210.A N TRP 206.A O no hydrogen 2.696 N/A SER 210.A OG TRP 206.A O no hydrogen 2.516 N/A GLY 211.A N ILE 207.A O no hydrogen 2.839 N/A VAL 212.A N SER 210.A OG no hydrogen 3.417 N/A ASP 214.A N GLY 211.A O no hydrogen 2.968 N/A ASN 217.A N ASP 215.A OD1 no hydrogen 2.796 N/A ASN 218.A N ASP 215.A O no hydrogen 2.782 N/A TYR 219.A N SER 233.A O no hydrogen 3.040 N/A LEU 220.A N ILE 162.A O no hydrogen 3.103 N/A CYS 222.A SG ARG 223.A O no hydrogen 3.759 N/A ARG 225.A N VAL 229.A O no hydrogen 3.368 N/A GLY 228.A N ARG 225.A O no hydrogen 2.987 N/A ALA 231.A N ARG 223.A O no hydrogen 2.806 N/A SER 233.A OG SER 236.A O no hydrogen 3.403 N/A THR 235.A N SER 233.A OG no hydrogen 3.189 N/A SER 236.A N SER 233.A OG no hydrogen 2.948 N/A ARG 241.A NH2 GLU 248.A OE2 no hydrogen 3.356 N/A ALA 242.A N SER 239.A OG no hydrogen 3.104 N/A LEU 243.A N SER 239.A O no hydrogen 3.229 N/A GLU 244.A N THR 240.A O no hydrogen 2.839 N/A GLY 245.A N ARG 241.A O no hydrogen 2.837 N/A ILE 246.A N ALA 242.A O no hydrogen 3.040 N/A ILE 246.A N LEU 243.A O no hydrogen 3.127 N/A PHE 247.A N GLU 244.A O no hydrogen 2.864 N/A GLU 248.A N GLU 244.A O no hydrogen 3.150 N/A ALA 249.A N GLY 245.A O no hydrogen 2.786 N/A THR 250.A N ILE 246.A O no hydrogen 3.156 N/A THR 250.A OG1 ILE 246.A O no hydrogen 2.712 N/A HIS 251.A N PHE 247.A O no hydrogen 3.017 N/A ARG 252.A N GLU 248.A O no hydrogen 2.795 N/A LEU 253.A N ALA 249.A O no hydrogen 2.756 N/A ILE 254.A N HIS 251.A O no hydrogen 3.346 N/A TYR 255.A N HIS 251.A O no hydrogen 2.867 N/A TYR 255.A OH ASP 123.A OD1 no hydrogen 3.214 N/A ASP 260.A N ASP 259.A OD1 no hydrogen 2.722 N/A SER 269.A N SER 272.A OG no hydrogen 2.800 N/A SER 272.A N SER 269.A O no hydrogen 2.998 N/A SER 272.A OG LEU 117.A O no hydrogen 2.546 N/A ARG 274.A N HIS 271.A O no hydrogen 3.203 N/A ARG 274.A NE LEU 153.A O no hydrogen 2.789 N/A VAL 275.A N HIS 271.A O no hydrogen 3.200 N/A ALA 277.A N ALA 273.A O no hydrogen 2.938 N/A ALA 278.A N ARG 274.A O no hydrogen 2.986 N/A ARG 279.A N VAL 275.A O no hydrogen 3.110 N/A ASP 280.A N GLY 276.A O no hydrogen 2.886 N/A MET 281.A N ALA 277.A O no hydrogen 2.841 N/A ALA 282.A N ALA 278.A O no hydrogen 2.783 N/A ARG 283.A N ARG 279.A O no hydrogen 2.726 N/A ARG 283.A NH1 GLU 120.A OE2 no hydrogen 3.177 N/A ARG 283.A NH2 GLU 120.A OE2 no hydrogen 2.498 N/A ALA 284.A N ASP 280.A O no hydrogen 3.235 N/A GLY 285.A N ALA 282.A O no hydrogen 2.836 N/A GLU 290.A N SER 287.A OG no hydrogen 2.863 N/A ILE 291.A N SER 287.A O no hydrogen 3.054 N/A MET 292.A N ILE 288.A O no hydrogen 2.775 N/A GLN 293.A N PRO 289.A O no hydrogen 3.091 N/A ALA 294.A N GLU 290.A O no hydrogen 3.290 N/A GLY 296.A N GLN 293.A O no hydrogen 2.680 N/A TRP 297.A N MET 292.A O no hydrogen 2.611 N/A VAL 303.A N ASN 299.A O no hydrogen 3.417 N/A MET 304.A N VAL 300.A O no hydrogen 2.817 N/A ASN 305.A N ILE 302.A O no hydrogen 2.841 N/A LEU 310.A N ILE 307.A O no hydrogen 3.112 N/A SER 312.A OG ASP 311.A O no hydrogen 2.954 N/A ARG 319.A N GLY 315.A O no hydrogen 3.478 N/A LEU 320.A N ALA 316.A O no hydrogen 2.773 N/A LEU 321.A N MET 317.A O no hydrogen 2.843 N/A GLU 322.A N VAL 318.A O no hydrogen 2.809 N/A