Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cps_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 89.A OE1 no hydrogen 3.104 N/A THR 2.A OG1 GLY 87.A O no hydrogen 2.714 N/A LEU 3.A N THR 26.A O no hydrogen 2.748 N/A GLY 4.A N ILE 90.A O no hydrogen 2.638 N/A ILE 5.A N ALA 29.A O no hydrogen 2.859 N/A ASN 6.A N CYS 92.A O no hydrogen 2.915 N/A ASN 6.A ND2 GLU 93.A OE1 no hydrogen 2.746 N/A GLY 7.A N ASN 31.A O no hydrogen 2.758 N/A PHE 8.A N ASP 32.A OD2 no hydrogen 2.731 N/A ARG 10.A NE GLU 315.A OE2 no hydrogen 2.743 N/A ARG 10.A NH1 ASP 47.A OD1 no hydrogen 2.837 N/A ARG 10.A NH2 ASP 47.A OD1 no hydrogen 3.153 N/A ARG 10.A NH2 ASP 47.A OD2 no hydrogen 3.023 N/A ARG 10.A NH2 GLU 315.A OE1 no hydrogen 2.885 N/A ARG 10.A NH2 GLU 315.A OE2 no hydrogen 3.505 N/A ARG 13.A N GLY 9.A O no hydrogen 2.865 N/A ARG 13.A NH1 PHE 8.A O no hydrogen 2.748 N/A LEU 14.A N ARG 10.A O no hydrogen 3.226 N/A VAL 15.A N ILE 11.A O no hydrogen 2.743 N/A LEU 16.A N GLY 12.A O no hydrogen 3.192 N/A ARG 17.A N ARG 13.A O no hydrogen 2.932 N/A ARG 17.A NH1 GLY 51.A O no hydrogen 2.792 N/A ARG 17.A NH2 LEU 44.A O no hydrogen 2.863 N/A ARG 17.A NH2 GLY 51.A O no hydrogen 2.908 N/A ALA 18.A N LEU 14.A O no hydrogen 2.909 N/A CYS 19.A N VAL 15.A O no hydrogen 3.076 N/A CYS 19.A SG VAL 15.A O no hydrogen 3.389 N/A MET 20.A N LEU 16.A O no hydrogen 3.135 N/A GLU 21.A N ALA 18.A O no hydrogen 3.168 N/A ARG 22.A N CYS 19.A O no hydrogen 2.810 N/A ARG 22.A NH1 ASP 324.A OD1 no hydrogen 2.818 N/A ARG 22.A NH2 ASN 320.A O no hydrogen 3.211 N/A ARG 22.A NH2 ASP 324.A OD1 no hydrogen 3.160 N/A THR 26.A N GLY 1.A O no hydrogen 3.082 N/A VAL 28.A N LEU 3.A O no hydrogen 2.912 N/A ILE 30.A N LYS 71.A O no hydrogen 2.726 N/A ASN 31.A N ILE 5.A O no hydrogen 2.740 N/A ASN 31.A ND2 ASN 6.A OD1 no hydrogen 2.837 N/A ASN 31.A ND2 ALA 75.A O no hydrogen 2.936 N/A ASP 32.A N PHE 73.A O no hydrogen 3.099 N/A PHE 34.A N ASP 32.A OD1 no hydrogen 3.136 N/A MET 35.A N ASP 32.A O no hydrogen 3.406 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.738 N/A TYR 39.A N ASP 36.A OD1.A no hydrogen 2.760 N/A MET 40.A N ASP 36.A O.A no hydrogen 2.895 N/A MET 40.A N ASP 36.A O.B no hydrogen 2.907 N/A ALA 41.A N VAL 37.A O no hydrogen 3.065 N/A TYR 42.A N GLU 38.A O no hydrogen 3.215 N/A LEU 43.A N TYR 39.A O no hydrogen 3.020 N/A LEU 44.A N MET 40.A O no hydrogen 2.996 N/A LYS 45.A N ALA 41.A O no hydrogen 2.933 N/A TYR 46.A N TYR 42.A O no hydrogen 2.941 N/A VAL 49.A N ASP 47.A OD2 no hydrogen 2.866 N/A HIS 50.A N ASP 47.A OD2 no hydrogen 2.574 N/A HIS 50.A NE2 GLU 315.A OE1 no hydrogen 2.716 N/A GLY 51.A N ASP 47.A O no hydrogen 3.205 N/A PHE 53.A N LYS 45.A O no hydrogen 2.740 N/A THR 56.A N ASN 66.A OD1 no hydrogen 3.101 N/A GLU 58.A N CYS 64.A O no hydrogen 2.966 N/A SER 60.A N ASP 62.A O no hydrogen 2.680 N/A LEU 63.A N VAL 70.A O no hydrogen 2.925 N/A CYS 64.A N GLU 58.A O no hydrogen 2.732 N/A ILE 65.A N LYS 68.A O no hydrogen 2.879 N/A ASN 66.A N THR 56.A O no hydrogen 2.872 N/A LYS 68.A N ILE 65.A O no hydrogen 3.108 N/A VAL 70.A N LEU 63.A O no hydrogen 2.730 N/A LYS 71.A N VAL 28.A O no hydrogen 2.930 N/A VAL 72.A N ASP 62.A OD1 no hydrogen 3.130 N/A PHE 73.A N ILE 30.A O no hydrogen 2.736 N/A GLN 74.A NE2 ASP 32.A O no hydrogen 3.255 N/A GLN 74.A NE2 MET 35.A O no hydrogen 2.589 N/A ALA 75.A N ASN 31.A OD1 no hydrogen 2.802 N/A ALA 79.A N ASP 77.A OD1 no hydrogen 3.174 N/A GLU 80.A N ASP 77.A O no hydrogen 3.170 N/A ILE 81.A N PRO 78.A O no hydrogen 3.214 N/A TRP 83.A N ILE 81.A O no hydrogen 2.794 N/A TRP 83.A NE1 HIS 107.A ND1 no hydrogen 2.757 N/A GLY 84.A N GLY 110.A O no hydrogen 2.760 N/A SER 86.A N PRO 82.A O no hydrogen 3.122 N/A SER 86.A OG PRO 82.A O no hydrogen 3.057 N/A GLY 87.A N GLY 84.A O no hydrogen 3.174 N/A ALA 88.A N TRP 83.A O no hydrogen 2.828 N/A GLN 89.A N THR 2.A OG1 no hydrogen 2.903 N/A ILE 90.A N THR 2.A O no hydrogen 3.169 N/A VAL 91.A N LYS 114.A O no hydrogen 2.845 N/A CYS 92.A N GLY 4.A O no hydrogen 2.709 N/A CYS 92.A SG SER 94.A OG no hydrogen 3.503 N/A GLU 93.A N ILE 116.A O no hydrogen 2.860 N/A SER 94.A N ASN 6.A O no hydrogen 2.829 N/A SER 94.A OG ASN 6.A O no hydrogen 3.180 N/A SER 94.A OG GLY 7.A O no hydrogen 3.046 N/A THR 95.A N GLU 93.A OE2 no hydrogen 3.019 N/A THR 95.A OG1 GLU 93.A OE2 no hydrogen 2.757 N/A VAL 97.A N THR 95.A OG1 no hydrogen 2.911 N/A GLU 101.A N ASP 123.A OD2 no hydrogen 2.776 N/A LYS 103.A N THR 100.A OG1 no hydrogen 3.125 N/A ALA 104.A N THR 100.A O no hydrogen 2.792 N/A SER 105.A N GLU 101.A O no hydrogen 2.813 N/A SER 105.A OG GLU 101.A O no hydrogen 3.002 N/A SER 105.A OG GLU 102.A O no hydrogen 3.113 N/A LEU 106.A N LYS 103.A O no hydrogen 3.378 N/A HIS 107.A N ALA 104.A O no hydrogen 3.345 N/A HIS 107.A NE2 GLU 93.A OE1 no hydrogen 2.768 N/A LEU 108.A N SER 105.A O no hydrogen 2.935 N/A LYS 109.A N LEU 106.A O no hydrogen 3.060 N/A GLY 111.A N LEU 108.A O no hydrogen 3.038 N/A LYS 113.A N GLN 89.A O no hydrogen 2.904 N/A LYS 114.A N GLN 89.A O no hydrogen 3.207 N/A LYS 114.A NZ TYR 137.A OH no hydrogen 3.526 N/A LYS 114.A NZ PRO 139.A O no hydrogen 3.101 N/A LYS 114.A NZ PHE 142.A O no hydrogen 2.916 N/A LYS 114.A NZ ASN 143.A OD1 no hydrogen 2.634 N/A VAL 115.A N ASN 143.A O no hydrogen 2.856 N/A ILE 116.A N VAL 91.A O no hydrogen 2.805 N/A ILE 117.A N ILE 145.A O no hydrogen 2.629 N/A SER 118.A N GLU 93.A O no hydrogen 2.944 N/A SER 118.A OG GLU 93.A O no hydrogen 3.143 N/A LYS 122.A N THR 99.A O no hydrogen 2.930 N/A VAL 125.A N ASP 123.A OD1 no hydrogen 3.156 N/A TYR 128.A N SER 146.A O no hydrogen 3.035 N/A VAL 129.A N ASN 133.A OD1 no hydrogen 2.742 N/A GLY 131.A N ASN 134.A OD1 no hydrogen 2.957 N/A VAL 132.A N VAL 129.A O no hydrogen 2.999 N/A ASN 133.A N VAL 129.A O no hydrogen 3.027 N/A ASN 133.A ND2 MET 127.A O no hydrogen 3.011 N/A GLU 136.A N ASN 133.A O no hydrogen 3.030 N/A TYR 137.A N ASN 134.A O no hydrogen 3.197 N/A SER 140.A N ASP 138.A OD1 no hydrogen 3.223 N/A SER 140.A OG ASP 138.A OD1 no hydrogen 2.868 N/A SER 140.A OG ASP 138.A OD2 no hydrogen 3.434 N/A LYS 141.A N ASP 138.A O no hydrogen 2.878 N/A PHE 142.A N ASP 138.A O no hydrogen 3.251 N/A ILE 145.A N VAL 115.A O no hydrogen 2.799 N/A SER 146.A N PRO 126.A O no hydrogen 2.939 N/A SER 146.A OG ALA 119.A O no hydrogen 2.496 N/A ASN 147.A N ILE 117.A O no hydrogen 2.851 N/A ALA 148.A N SER 146.A OG no hydrogen 2.893 N/A SER 149.A OG THR 152.A OG1 no hydrogen 3.115 N/A CYS 150.A SG HIS 177.A NE2 no hydrogen 3.398 N/A THR 151.A OG1 TYR 312.A OH no hydrogen 2.719 N/A THR 152.A N SER 149.A OG no hydrogen 2.943 N/A THR 152.A OG1 SER 149.A OG no hydrogen 3.115 N/A THR 152.A OG1 ALA 211.A O no hydrogen 3.034 N/A ASN 153.A N SER 149.A O no hydrogen 3.083 N/A ASN 153.A ND2 ASN 147.A O no hydrogen 2.955 N/A ASN 153.A ND2 SER 149.A O no hydrogen 2.934 N/A CYS 154.A N CYS 150.A O no hydrogen 3.063 N/A CYS 154.A N THR 151.A O no hydrogen 3.141 N/A CYS 154.A SG SER 291.A OG no hydrogen 3.588 N/A CYS 154.A SG SER 310.A O no hydrogen 3.479 N/A CYS 154.A SG TRP 311.A O no hydrogen 3.787 N/A LEU 155.A N THR 151.A O no hydrogen 2.942 N/A ALA 156.A N THR 152.A O no hydrogen 2.865 N/A ALA 159.A N LEU 155.A O no hydrogen 2.626 N/A LYS 160.A N ALA 156.A O no hydrogen 2.828 N/A LYS 160.A NZ ASP 164.A OD2 no hydrogen 3.126 N/A ILE 161.A N PRO 157.A O no hydrogen 3.009 N/A ILE 162.A N LEU 158.A O no hydrogen 3.014 N/A ASN 163.A N ALA 159.A O no hydrogen 2.715 N/A ASP 164.A N LYS 160.A O no hydrogen 2.906 N/A LYS 165.A N ILE 161.A O no hydrogen 3.201 N/A PHE 166.A N ILE 162.A O no hydrogen 2.898 N/A GLY 167.A N ILE 162.A O no hydrogen 3.174 N/A ILE 168.A N ASN 163.A OD1 no hydrogen 2.970 N/A VAL 169.A N LYS 246.A O no hydrogen 2.772 N/A GLY 171.A N LYS 225.A O no hydrogen 2.835 N/A LEU 172.A N THR 244.A O no hydrogen 2.780 N/A MET 173.A N THR 227.A O no hydrogen 2.803 N/A THR 174.A N ASP 242.A O no hydrogen 2.891 N/A THR 175.A N MET 229.A O no hydrogen 2.982 N/A THR 175.A OG1 VAL 240.A O no hydrogen 3.271 N/A THR 175.A OG1 TYR 312.A OH no hydrogen 2.622 N/A VAL 176.A N VAL 240.A O no hydrogen 2.862 N/A HIS 177.A N ILE 231.A O no hydrogen 2.772 N/A HIS 177.A ND1 SER 178.A O no hydrogen 2.553 N/A SER 178.A N SER 239.A OG no hydrogen 3.133 N/A SER 178.A OG THR 235.A O no hydrogen 3.171 N/A SER 178.A OG THR 235.A OG1 no hydrogen 2.672 N/A SER 178.A OG VAL 238.A O no hydrogen 2.693 N/A LEU 179.A N THR 235.A O no hydrogen 3.048 N/A GLN 183.A N THR 180.A O no hydrogen 3.129 N/A GLY 188.A N GLY 197.A O no hydrogen 2.931 N/A SER 190.A OG ASP 193.A O no hydrogen 2.731 N/A ALA 196.A N ASP 193.A O no hydrogen 3.223 N/A ALA 196.A N ASP 193.A OD1 no hydrogen 3.219 N/A GLY 197.A N TRP 194.A O no hydrogen 3.077 N/A ARG 198.A N ARG 195.A O no hydrogen 3.216 N/A ARG 198.A NE ASP 187.A OD1 no hydrogen 3.145 N/A CYS 199.A N ASP 187.A OD1 no hydrogen 2.838 N/A CYS 199.A SG THR 185.A O no hydrogen 3.339 N/A CYS 199.A SG ASN 202.A OD1 no hydrogen 3.125 N/A ALA 200.A N LEU 184.A O no hydrogen 2.902 N/A ASN 203.A ND2 CYS 199.A O no hydrogen 2.907 N/A ILE 205.A N ARG 232.A O no hydrogen 2.869 N/A ALA 207.A N ALA 230.A O no hydrogen 2.700 N/A ALA 211.A N THR 209.A OG1 no hydrogen 3.134 N/A ALA 214.A N GLY 210.A O no hydrogen 2.914 N/A VAL 215.A N ALA 211.A O no hydrogen 3.286 N/A VAL 215.A N ALA 212.A O no hydrogen 3.231 N/A GLY 216.A N LYS 213.A O no hydrogen 2.868 N/A LYS 217.A N ALA 214.A O no hydrogen 2.969 N/A LYS 217.A NZ LYS 213.A O no hydrogen 2.925 N/A VAL 218.A N ALA 214.A O no hydrogen 3.087 N/A ILE 219.A N VAL 215.A O no hydrogen 2.816 N/A LEU 222.A N ILE 219.A O no hydrogen 2.889 N/A ASN 223.A N PRO 220.A O no hydrogen 3.103 N/A ASN 223.A ND2 GLY 216.A O no hydrogen 3.488 N/A LYS 225.A N LEU 222.A O no hydrogen 3.034 N/A LYS 225.A NZ ALA 221.A O no hydrogen 2.962 N/A THR 227.A N GLY 171.A O no hydrogen 3.373 N/A GLY 228.A N THR 227.A OG1 no hydrogen 2.875 N/A MET 229.A N MET 173.A O no hydrogen 2.877 N/A ALA 230.A N ALA 207.A O no hydrogen 2.863 N/A ILE 231.A N THR 175.A O no hydrogen 2.721 N/A ARG 232.A N ILE 205.A O no hydrogen 2.649 N/A VAL 233.A N HIS 177.A O no hydrogen 2.902 N/A THR 235.A OG1 SER 178.A OG no hydrogen 2.672 N/A VAL 238.A N ASN 314.A OD1 no hydrogen 3.006 N/A SER 239.A N TYR 312.A O no hydrogen 2.798 N/A SER 239.A OG ASN 314.A OD1 no hydrogen 2.885 N/A VAL 240.A N VAL 176.A O no hydrogen 2.799 N/A VAL 241.A N SER 310.A O no hydrogen 2.679 N/A ASP 242.A N THR 174.A O no hydrogen 2.700 N/A LEU 243.A N LEU 308.A O no hydrogen 2.754 N/A THR 244.A N LEU 172.A O no hydrogen 2.887 N/A CYS 245.A N VAL 306.A O no hydrogen 2.989 N/A LYS 246.A N GLU 170.A O no hydrogen 2.875 N/A LEU 247.A N SER 304.A O no hydrogen 2.837 N/A ALA 248.A N GLY 167.A O no hydrogen 2.878 N/A LYS 249.A N PHE 166.A O no hydrogen 3.188 N/A ALA 251.A N ASP 303.A O no hydrogen 2.882 N/A SER 252.A N GLU 255.A OE1 no hydrogen 2.980 N/A SER 252.A OG GLU 255.A OE1 no hydrogen 3.382 N/A GLU 255.A N SER 252.A OG no hydrogen 3.106 N/A ILE 256.A N SER 252.A O no hydrogen 3.043 N/A TYR 257.A N ILE 253.A O no hydrogen 2.797 N/A GLN 258.A N GLU 254.A O no hydrogen 3.035 N/A GLN 258.A NE2 GLU 254.A OE2 no hydrogen 3.066 N/A ALA 259.A N GLU 255.A O no hydrogen 3.110 N/A VAL 260.A N ILE 256.A O no hydrogen 2.932 N/A LYS 261.A N TYR 257.A O no hydrogen 2.935 N/A GLU 262.A N GLN 258.A O no hydrogen 2.772 N/A ALA 263.A N ALA 259.A O no hydrogen 3.194 N/A SER 264.A N VAL 260.A O no hydrogen 2.849 N/A SER 264.A OG VAL 260.A O no hydrogen 2.915 N/A ASN 265.A N LYS 261.A O no hydrogen 3.056 N/A ASN 265.A ND2 TYR 274.A OH no hydrogen 3.292 N/A GLY 266.A N ALA 263.A O no hydrogen 3.255 N/A MET 268.A N ALA 263.A O no hydrogen 2.751 N/A LYS 269.A N GLY 266.A O no hydrogen 3.169 N/A ILE 271.A N MET 268.A O no hydrogen 2.890 N/A MET 272.A N MET 268.A O no hydrogen 3.011 N/A GLY 273.A N SER 291.A O no hydrogen 2.797 N/A THR 275.A N PHE 293.A O no hydrogen 2.861 N/A ASP 277.A N THR 275.A OG1 no hydrogen 3.153 N/A VAL 279.A N ASP 277.A O no hydrogen 2.821 N/A VAL 280.A N ASP 283.A OD2 no hydrogen 2.857 N/A ASP 283.A N VAL 280.A O no hydrogen 2.974 N/A PHE 284.A N SER 281.A O no hydrogen 2.884 N/A ILE 285.A N THR 282.A O no hydrogen 3.236 N/A GLY 286.A N ASP 313.A OD2 no hydrogen 2.750 N/A CYS 287.A N PHE 284.A O no hydrogen 3.005 N/A LYS 288.A NZ GLU 21.A OE2 no hydrogen 3.292 N/A SER 290.A N ILE 271.A O no hydrogen 2.771 N/A SER 291.A N ILE 271.A O no hydrogen 3.327 N/A SER 291.A OG CYS 154.A O no hydrogen 2.589 N/A SER 291.A OG SER 310.A OG no hydrogen 2.716 N/A ILE 292.A N TRP 311.A O no hydrogen 2.981 N/A PHE 293.A N GLY 273.A O no hydrogen 2.984 N/A ASP 294.A N ILE 309.A O no hydrogen 2.978 N/A LYS 295.A N THR 275.A O no hydrogen 2.976 N/A LYS 295.A NZ GLU 254.A OE1 no hydrogen 2.739 N/A ASN 296.A ND2 SER 276.A O no hydrogen 2.797 N/A ALA 297.A N ASP 294.A O no hydrogen 3.311 N/A CYS 298.A N LYS 295.A O no hydrogen 3.309 N/A CYS 298.A SG ASP 294.A O no hydrogen 3.466 N/A ILE 299.A N LYS 307.A O no hydrogen 3.097 N/A LEU 301.A N PHE 305.A O no hydrogen 3.073 N/A SER 304.A N ASN 302.A OD1 no hydrogen 2.861 N/A SER 304.A OG LEU 247.A O no hydrogen 3.101 N/A PHE 305.A N ASN 302.A O no hydrogen 3.404 N/A VAL 306.A N CYS 245.A O no hydrogen 2.985 N/A LYS 307.A N ILE 299.A O no hydrogen 2.879 N/A LYS 307.A NZ ASP 242.A OD1 no hydrogen 2.929 N/A LYS 307.A NZ ASP 242.A OD2 no hydrogen 3.397 N/A LYS 307.A NZ THR 244.A OG1 no hydrogen 2.964 N/A LEU 308.A N LEU 243.A O no hydrogen 2.853 N/A SER 310.A N VAL 241.A O no hydrogen 2.919 N/A SER 310.A OG SER 291.A OG no hydrogen 2.716 N/A TRP 311.A N ILE 292.A O no hydrogen 2.982 N/A TRP 311.A NE1 ASP 294.A OD2 no hydrogen 2.903 N/A TYR 312.A N SER 239.A O no hydrogen 2.930 N/A TYR 312.A OH THR 151.A OG1 no hydrogen 2.719 N/A TYR 312.A OH THR 175.A OG1 no hydrogen 2.622 N/A GLU 315.A N ASP 313.A OD1 no hydrogen 3.035 N/A SER 316.A N ASP 313.A OD1 no hydrogen 2.853 N/A GLY 317.A N ASP 313.A O no hydrogen 2.864 N/A TYR 318.A OH ALA 148.A O no hydrogen 2.505 N/A SER 319.A N GLU 315.A O no hydrogen 3.229 N/A SER 319.A OG GLU 315.A O no hydrogen 2.601 N/A ASN 320.A N SER 316.A O no hydrogen 3.143 N/A ARG 321.A N GLY 317.A O no hydrogen 3.085 N/A ARG 321.A NE ASP 324.A OD2 no hydrogen 2.732 N/A ARG 321.A NH1 LYS 288.A O no hydrogen 3.007 N/A ARG 321.A NH1 ASP 324.A OD2 no hydrogen 3.113 N/A ARG 321.A NH2 LYS 288.A O no hydrogen 2.624 N/A ARG 321.A NH2 SER 290.A OG no hydrogen 2.982 N/A LEU 322.A N TYR 318.A O no hydrogen 2.897 N/A VAL 323.A N SER 319.A O no hydrogen 3.050 N/A ASP 324.A N ASN 320.A O no hydrogen 2.767 N/A LEU 325.A N ARG 321.A O no hydrogen 2.839 N/A ALA 326.A N LEU 322.A O no hydrogen 3.022 N/A VAL 327.A N VAL 323.A O no hydrogen 2.938 N/A TYR 328.A N ASP 324.A O no hydrogen 2.830 N/A VAL 329.A N LEU 325.A O no hydrogen 2.706 N/A ALA 330.A N ALA 326.A O no hydrogen 3.030 N/A SER 331.A N VAL 327.A O no hydrogen 3.172 N/A SER 331.A OG TYR 328.A O no hydrogen 2.679 N/A ARG 332.A N VAL 329.A O no hydrogen 3.154 N/A ARG 332.A NH1 TYR 137.A O no hydrogen 2.847 N/A ARG 332.A NH1 TYR 328.A OH no hydrogen 2.778 N/A GLY 333.A N ALA 330.A O no hydrogen 3.317 N/A