Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2crx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 THR 1.A O no hydrogen 2.431 N/A THR 1.A OG1 GLU 4.A OE1 no hydrogen 2.784 N/A ARG 6.A N SER 2.A O no hydrogen 3.033 N/A LYS 7.A N ASP 3.A O no hydrogen 2.850 N/A LYS 7.A NZ ASP 11.A OD1 no hydrogen 2.952 N/A LYS 7.A NZ ASP 11.A OD2 no hydrogen 3.312 N/A LEU 9.A N VAL 5.A O no hydrogen 3.016 N/A LEU 9.A N ARG 6.A O no hydrogen 3.116 N/A MET 10.A N ARG 6.A O no hydrogen 3.088 N/A MET 10.A N LYS 7.A O no hydrogen 3.271 N/A ASP 11.A N LYS 7.A O no hydrogen 2.889 N/A MET 12.A N ASN 8.A O no hydrogen 2.916 N/A PHE 13.A N LEU 9.A O no hydrogen 3.100 N/A ARG 14.A N MET 10.A O no hydrogen 2.809 N/A ASP 15.A N ASP 11.A O no hydrogen 3.159 N/A ARG 16.A NH1 PHE 13.A O no hydrogen 2.694 N/A ALA 18.A N ASP 15.A O no hydrogen 3.041 N/A PHE 19.A N ARG 16.A O no hydrogen 3.096 N/A THR 23.A OG1 SER 20.A O no hydrogen 3.386 N/A TRP 24.A N SER 20.A O no hydrogen 2.970 N/A TRP 24.A NE1 ARG 16.A O no hydrogen 2.787 N/A LYS 25.A N GLU 21.A O no hydrogen 2.917 N/A MET 26.A N HIS 22.A O no hydrogen 3.095 N/A LEU 27.A N THR 23.A O no hydrogen 3.123 N/A LEU 28.A N TRP 24.A O no hydrogen 2.739 N/A SER 29.A N LYS 25.A O no hydrogen 2.692 N/A VAL 30.A N MET 26.A O no hydrogen 2.904 N/A CYS 31.A N LEU 27.A O no hydrogen 2.926 N/A CYS 31.A SG LEU 27.A O no hydrogen 3.127 N/A ARG 32.A N LEU 28.A O no hydrogen 2.766 N/A SER 33.A N SER 29.A O no hydrogen 3.051 N/A SER 33.A OG VAL 30.A O no hydrogen 3.367 N/A TRP 34.A N VAL 30.A O no hydrogen 2.788 N/A TRP 34.A NE1 TRP 45.A O no hydrogen 2.871 N/A ALA 35.A N CYS 31.A O no hydrogen 2.863 N/A ALA 36.A N ARG 32.A O no hydrogen 3.112 N/A TRP 37.A N SER 33.A O no hydrogen 3.065 N/A CYS 38.A N TRP 34.A O no hydrogen 2.833 N/A CYS 38.A SG TRP 34.A O no hydrogen 3.856 N/A LYS 39.A N ALA 35.A O no hydrogen 2.855 N/A LYS 39.A NZ ALA 36.A O no hydrogen 3.363 N/A LEU 40.A N ALA 36.A O no hydrogen 2.872 N/A ASN 41.A N TRP 37.A O no hydrogen 2.998 N/A ASN 41.A ND2 TRP 37.A O no hydrogen 2.989 N/A ASN 42.A N LYS 39.A O no hydrogen 3.073 N/A ARG 43.A N CYS 38.A O no hydrogen 3.030 N/A ARG 43.A NE ASP 52.A OD1 no hydrogen 2.932 N/A ARG 43.A NH2 ASP 55.A OD2 no hydrogen 2.624 N/A LYS 44.A NZ GLU 49.A OE2 no hydrogen 2.911 N/A ALA 48.A N HIS 81.A NE2 no hydrogen 2.816 N/A VAL 53.A N GLU 49.A O no hydrogen 2.944 N/A ARG 54.A N PRO 50.A O no hydrogen 2.745 N/A ASP 55.A N GLU 51.A O no hydrogen 3.138 N/A TYR 56.A N ASP 52.A O no hydrogen 2.961 N/A TYR 56.A OH SER 33.A OG no hydrogen 2.374 N/A TYR 56.A OH HIS 73.A ND1 no hydrogen 2.834 N/A LEU 57.A N VAL 53.A O no hydrogen 2.768 N/A LEU 58.A N ARG 54.A O no hydrogen 2.995 N/A TYR 59.A N ASP 55.A O no hydrogen 2.999 N/A LEU 60.A N TYR 56.A O no hydrogen 2.934 N/A GLN 61.A N LEU 57.A O no hydrogen 3.120 N/A GLN 61.A NE2 ILE 102.A O no hydrogen 3.651 N/A GLN 61.A NE2 GLU 105.A OE1 no hydrogen 3.161 N/A GLN 61.A NE2 ASN 106.A OD1 no hydrogen 2.800 N/A ALA 62.A N LEU 58.A O no hydrogen 3.396 N/A ARG 63.A N TYR 59.A O no hydrogen 2.914 N/A GLY 64.A N GLN 61.A O no hydrogen 3.141 N/A LEU 65.A N LEU 60.A O no hydrogen 3.449 N/A VAL 67.A N GLU 111.A OE2 no hydrogen 2.656 N/A THR 69.A N ALA 66.A O no hydrogen 3.019 N/A ILE 70.A N ALA 66.A O no hydrogen 2.984 N/A GLN 71.A N VAL 67.A O no hydrogen 2.826 N/A GLN 71.A NE2 VAL 67.A O no hydrogen 3.350 N/A GLN 72.A NE2 GLN 76.A OE1 no hydrogen 3.460 N/A HIS 73.A N THR 69.A O no hydrogen 3.021 N/A HIS 73.A ND1 TYR 56.A OH no hydrogen 2.834 N/A LEU 74.A N ILE 70.A O no hydrogen 2.878 N/A GLY 75.A N GLN 71.A O no hydrogen 2.680 N/A GLN 76.A N GLN 72.A O no hydrogen 2.857 N/A LEU 77.A N HIS 73.A O no hydrogen 3.133 N/A ASN 78.A N LEU 74.A O no hydrogen 2.969 N/A ASN 78.A ND2 SER 90.A OG no hydrogen 2.583 N/A MET 79.A N GLY 75.A O no hydrogen 2.885 N/A LEU 80.A N GLN 76.A O no hydrogen 3.350 N/A HIS 81.A ND1 LEU 77.A O no hydrogen 2.817 N/A ARG 82.A N ASN 78.A O no hydrogen 3.291 N/A ARG 82.A N MET 79.A O no hydrogen 2.935 N/A ARG 83.A N MET 79.A O no hydrogen 2.870 N/A SER 84.A OG LEU 80.A O no hydrogen 2.552 N/A SER 90.A N ASN 78.A OD1 no hydrogen 3.068 N/A ASP 91.A N ARG 88.A O no hydrogen 2.807 N/A SER 92.A N PRO 89.A O no hydrogen 3.053 N/A SER 92.A OG PRO 89.A O no hydrogen 2.708 N/A VAL 95.A N SER 92.A OG no hydrogen 3.156 N/A SER 96.A OG SER 92.A O no hydrogen 2.836 N/A LEU 97.A N ASN 93.A O no hydrogen 2.928 N/A VAL 98.A N ALA 94.A O no hydrogen 3.143 N/A MET 99.A N VAL 95.A O no hydrogen 2.917 N/A ARG 100.A N SER 96.A O no hydrogen 3.200 N/A ARG 101.A N LEU 97.A O no hydrogen 2.824 N/A ARG 101.A NE GLU 105.A OE2 no hydrogen 2.917 N/A ILE 102.A N VAL 98.A O no hydrogen 2.672 N/A ARG 103.A N MET 99.A O no hydrogen 3.280 N/A LYS 104.A N ARG 100.A O no hydrogen 3.360 N/A GLU 105.A N ARG 101.A O no hydrogen 2.790 N/A ASN 106.A N ILE 102.A O no hydrogen 2.925 N/A ASN 106.A ND2 GLU 111.A OE1 no hydrogen 3.370 N/A VAL 107.A N ARG 103.A O no hydrogen 2.856 N/A ASP 108.A N LYS 104.A O no hydrogen 2.819 N/A ALA 109.A N GLU 105.A O no hydrogen 2.987 N/A GLY 110.A N ASN 106.A O no hydrogen 3.233 N/A GLY 110.A N VAL 107.A O no hydrogen 2.917 N/A GLU 111.A N VAL 107.A O no hydrogen 3.400 N/A PHE 119.A N SER 254.A O no hydrogen 2.888 N/A GLU 120.A N ASP 123.A OD2 no hydrogen 3.014 N/A ARG 121.A N ASP 262.A OD2 no hydrogen 2.547 N/A PHE 124.A N GLU 120.A O no hydrogen 2.960 N/A ASP 125.A N ARG 121.A O no hydrogen 2.808 N/A GLN 126.A N THR 122.A O no hydrogen 3.227 N/A VAL 127.A N ASP 123.A O no hydrogen 2.962 N/A ARG 128.A N PHE 124.A O no hydrogen 2.814 N/A SER 129.A N ASP 125.A O no hydrogen 2.914 N/A SER 129.A OG GLN 126.A O no hydrogen 3.323 N/A LEU 130.A N GLN 126.A O no hydrogen 3.134 N/A MET 131.A N VAL 127.A O no hydrogen 2.975 N/A SER 134.A OG ASP 139.A OD2 no hydrogen 3.078 N/A ARG 136.A NE GLN 138.A OE1 no hydrogen 3.149 N/A CYS 137.A SG VAL 198.A O no hydrogen 3.798 N/A ILE 140.A N ARG 136.A O no hydrogen 3.269 N/A ARG 141.A N CYS 137.A O no hydrogen 3.331 N/A ARG 141.A NE ASN 142.A OD1 no hydrogen 3.220 N/A ARG 141.A NH1 CYS 211.A O no hydrogen 2.970 N/A ARG 141.A NH2 ASN 142.A OD1 no hydrogen 3.057 N/A ASN 142.A N GLN 138.A O no hydrogen 2.693 N/A LEU 143.A N ASP 139.A O no hydrogen 2.919 N/A ALA 144.A N ILE 140.A O no hydrogen 3.140 N/A PHE 145.A N ARG 141.A O no hydrogen 3.002 N/A LEU 146.A N ASN 142.A O no hydrogen 2.972 N/A GLY 147.A N LEU 143.A O no hydrogen 2.763 N/A ILE 148.A N ALA 144.A O no hydrogen 2.984 N/A ALA 149.A N PHE 145.A O no hydrogen 2.806 N/A TYR 150.A N LEU 146.A O no hydrogen 3.250 N/A TYR 150.A OH ASP 262.A OD2 no hydrogen 2.784 N/A ASN 151.A N GLY 147.A O no hydrogen 2.947 N/A THR 152.A N ILE 148.A O no hydrogen 2.700 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.601 N/A LEU 153.A N ALA 149.A O no hydrogen 2.739 N/A LEU 154.A N THR 152.A OG1 no hydrogen 3.010 N/A ARG 155.A N GLU 158.A OE1 no hydrogen 3.007 N/A ARG 155.A NH2 GLU 158.A OE2 no hydrogen 2.867 N/A GLU 158.A N ARG 155.A O no hydrogen 3.069 N/A ILE 159.A N ARG 155.A O no hydrogen 2.998 N/A ALA 160.A N ILE 156.A O no hydrogen 2.836 N/A ARG 161.A N GLU 158.A O no hydrogen 3.265 N/A ILE 162.A N ILE 159.A O no hydrogen 3.248 N/A ARG 163.A N ASP 166.A OD2 no hydrogen 3.008 N/A ARG 163.A NE ASN 206.A O no hydrogen 3.373 N/A ARG 163.A NH2 ASN 206.A O no hydrogen 2.801 N/A ARG 163.A NH2 ALA 223.A O no hydrogen 3.290 N/A VAL 164.A N ASN 207.A O no hydrogen 2.890 N/A SER 168.A N LEU 176.A O no hydrogen 2.786 N/A ARG 169.A NH1 GLY 173.A O no hydrogen 2.723 N/A THR 170.A N ARG 174.A O no hydrogen 3.208 N/A MET 175.A N THR 189.A OG1 no hydrogen 3.382 N/A LEU 176.A N SER 168.A O no hydrogen 2.271 N/A ILE 177.A N LYS 182.A O no hydrogen 2.715 N/A HIS 178.A N ASP 166.A O no hydrogen 2.515 N/A LYS 182.A N ILE 177.A O no hydrogen 2.709 N/A LYS 182.A NZ THR 152.A O no hydrogen 3.345 N/A LEU 184.A N MET 175.A O no hydrogen 3.391 N/A SER 185.A N ASN 151.A OD1 no hydrogen 2.733 N/A SER 185.A OG ASN 151.A OD1 no hydrogen 3.165 N/A VAL 188.A N SER 185.A OG no hydrogen 3.228 N/A THR 189.A N SER 185.A O no hydrogen 3.160 N/A THR 189.A OG1 SER 185.A O no hydrogen 2.480 N/A LYS 190.A N LEU 186.A O no hydrogen 2.969 N/A LEU 191.A N VAL 188.A O no hydrogen 2.742 N/A VAL 192.A N VAL 188.A O no hydrogen 2.922 N/A ARG 194.A NH2 GLU 132.A O no hydrogen 3.061 N/A TRP 195.A N LEU 191.A O no hydrogen 3.410 N/A TRP 195.A NE1 LEU 209.A O no hydrogen 2.803 N/A SER 197.A N GLU 193.A O no hydrogen 2.911 N/A SER 197.A OG ARG 194.A O no hydrogen 3.117 N/A VAL 198.A N ARG 194.A O no hydrogen 3.200 N/A SER 199.A OG TRP 195.A O no hydrogen 2.779 N/A SER 199.A OG ILE 196.A O no hydrogen 3.029 N/A GLY 200.A N ILE 196.A O no hydrogen 2.903 N/A VAL 201.A N SER 199.A OG no hydrogen 3.154 N/A ASP 203.A N GLY 200.A O no hydrogen 3.346 N/A ASP 204.A N VAL 201.A O no hydrogen 3.097 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.842 N/A ASN 206.A ND2 ASP 204.A OD1 no hydrogen 2.917 N/A ASN 207.A N ASP 204.A O no hydrogen 3.159 N/A TYR 208.A N SER 222.A O no hydrogen 2.794 N/A LEU 209.A N ILE 162.A O no hydrogen 2.841 N/A CYS 211.A SG ARG 212.A O no hydrogen 3.743 N/A ASN 216.A ND2 VAL 218.A O no hydrogen 3.674 N/A ALA 220.A N ARG 212.A O no hydrogen 2.956 N/A SER 222.A OG SER 225.A O no hydrogen 3.163 N/A THR 224.A N SER 222.A OG no hydrogen 3.159 N/A SER 225.A N SER 222.A OG no hydrogen 3.213 N/A ARG 230.A NH1 ARG 230.A O no hydrogen 3.044 N/A ARG 230.A NH1 GLU 237.A OE2 no hydrogen 3.285 N/A ARG 230.A NH2 GLU 237.A OE2 no hydrogen 3.519 N/A ALA 231.A N SER 228.A O no hydrogen 3.170 N/A ALA 231.A N SER 228.A OG no hydrogen 2.974 N/A LEU 232.A N SER 228.A O no hydrogen 3.321 N/A GLU 233.A N THR 229.A O no hydrogen 2.894 N/A GLY 234.A N ARG 230.A O no hydrogen 2.826 N/A ILE 235.A N ALA 231.A O no hydrogen 3.075 N/A ILE 235.A N LEU 232.A O no hydrogen 3.205 N/A PHE 236.A N LEU 232.A O no hydrogen 3.443 N/A GLU 237.A N GLU 233.A O no hydrogen 2.977 N/A ALA 238.A N GLY 234.A O no hydrogen 2.731 N/A THR 239.A N ILE 235.A O no hydrogen 3.004 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.938 N/A HIS 240.A N PHE 236.A O no hydrogen 3.233 N/A HIS 240.A N GLU 237.A O no hydrogen 2.654 N/A ARG 241.A N GLU 237.A O no hydrogen 2.944 N/A LEU 242.A N ALA 238.A O no hydrogen 2.765 N/A ILE 243.A N THR 239.A O no hydrogen 3.376 N/A TYR 244.A N HIS 240.A O no hydrogen 2.797 N/A GLY 245.A N ARG 241.A O no hydrogen 2.818 N/A TRP 250.A NE1 ALA 118.A O no hydrogen 2.929 N/A SER 251.A N SER 254.A OG no hydrogen 2.848 N/A SER 254.A N SER 251.A O no hydrogen 2.866 N/A SER 254.A OG LEU 117.A O no hydrogen 2.578 N/A SER 254.A OG SER 251.A O no hydrogen 3.253 N/A ARG 256.A NE LEU 153.A O no hydrogen 2.962 N/A VAL 257.A N HIS 253.A O no hydrogen 3.343 N/A GLY 258.A N SER 254.A O no hydrogen 2.930 N/A ALA 259.A N ALA 255.A O no hydrogen 3.011 N/A ALA 260.A N ARG 256.A O no hydrogen 3.211 N/A ARG 261.A N VAL 257.A O no hydrogen 3.254 N/A ASP 262.A N GLY 258.A O no hydrogen 3.011 N/A MET 263.A N ALA 259.A O no hydrogen 2.941 N/A ALA 264.A N ALA 260.A O no hydrogen 2.726 N/A ARG 265.A N ARG 261.A O no hydrogen 3.019 N/A ARG 265.A NH1 ASP 262.A OD1 no hydrogen 3.229 N/A ALA 266.A N ASP 262.A O no hydrogen 3.364 N/A GLY 267.A N ALA 264.A O no hydrogen 3.179 N/A GLU 272.A N SER 269.A OG no hydrogen 2.942 N/A ILE 273.A N ILE 270.A O no hydrogen 3.089 N/A MET 274.A N PRO 271.A O no hydrogen 2.809 N/A TRP 279.A N MET 274.A O no hydrogen 3.320 N/A ILE 284.A N ASN 281.A O no hydrogen 2.540 N/A ASN 287.A N ASN 283.A O no hydrogen 2.570 N/A TYR 288.A N VAL 285.A O no hydrogen 3.375 N/A ILE 289.A N VAL 285.A O no hydrogen 3.130 N/A LEU 292.A N ILE 289.A O no hydrogen 3.294 N/A SER 294.A OG ALA 264.A O no hydrogen 3.305 N/A THR 296.A OG1 ASP 293.A O no hydrogen 3.081 N/A ARG 301.A N GLY 297.A O no hydrogen 3.059 N/A LEU 302.A N ALA 298.A O no hydrogen 2.569 N/A LEU 303.A N MET 299.A O no hydrogen 2.826 N/A GLU 304.A N VAL 300.A O no hydrogen 3.004 N/A