Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ccr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N LEU 108.A O no hydrogen 2.916 N/A VAL 7.A N SER 111.A O no hydrogen 3.144 N/A ILE 8.A N VAL 30.A O no hydrogen 2.836 N/A ILE 9.A N ILE 113.A O no hydrogen 2.883 N/A GLY 10.A N TYR 32.A O no hydrogen 2.948 N/A SER 11.A OG GLU 33.A O no hydrogen 2.945 N/A HIS 16.A N GLY 12.A O no hydrogen 3.160 N/A HIS 16.A ND1 SER 75.A OG no hydrogen 3.107 N/A THR 17.A N PRO 13.A O no hydrogen 3.249 N/A THR 17.A OG1 PRO 13.A O no hydrogen 2.779 N/A ALA 18.A N ALA 14.A O no hydrogen 3.087 N/A ALA 19.A N ALA 15.A O no hydrogen 2.817 N/A ILE 20.A N HIS 16.A O no hydrogen 2.936 N/A TYR 21.A N THR 17.A O no hydrogen 3.036 N/A LEU 22.A N ALA 18.A O no hydrogen 2.928 N/A GLY 23.A N ALA 19.A O no hydrogen 2.788 N/A ARG 24.A N ILE 20.A O no hydrogen 3.116 N/A SER 25.A N LEU 22.A O no hydrogen 2.933 N/A SER 25.A OG TYR 21.A O no hydrogen 2.728 N/A SER 25.A OG GLU 305.A OE1 no hydrogen 3.467 N/A SER 26.A N GLY 23.A O no hydrogen 2.867 N/A LEU 27.A N LEU 22.A O no hydrogen 3.206 N/A VAL 30.A N VAL 6.A O no hydrogen 3.356 N/A MET 31.A N THR 81.A O no hydrogen 2.767 N/A TYR 32.A N ILE 8.A O no hydrogen 2.964 N/A GLU 33.A N ILE 83.A O no hydrogen 3.091 N/A GLY 34.A N GLU 85.A O no hydrogen 3.095 N/A PHE 35.A N THR 86.A OG1 no hydrogen 2.980 N/A GLY 39.A N MET 36.A O no hydrogen 2.800 N/A VAL 40.A N ALA 37.A O no hydrogen 3.140 N/A GLY 43.A N SER 11.A OG no hydrogen 2.903 N/A GLY 44.A N ALA 41.A O no hydrogen 3.066 N/A THR 47.A N GLY 44.A O no hydrogen 3.063 N/A THR 47.A OG1 GLY 44.A O no hydrogen 2.544 N/A THR 48.A N GLN 45.A O no hydrogen 2.856 N/A THR 48.A OG1 GLN 45.A O no hydrogen 2.499 N/A THR 49.A N LEU 46.A O no hydrogen 3.101 N/A THR 49.A OG1 GLN 133.A OE1 no hydrogen 3.475 N/A THR 50.A OG1 GLN 133.A OE1 no hydrogen 3.189 N/A ILE 52.A N ILE 62.A O no hydrogen 2.874 N/A GLY 61.A N PHE 58.A O no hydrogen 2.996 N/A ILE 62.A N ILE 52.A O no hydrogen 3.179 N/A GLY 64.A N THR 50.A O no hydrogen 2.788 N/A ASN 65.A ND2 THR 47.A O no hydrogen 2.854 N/A GLU 66.A N ASP 63.A OD2 no hydrogen 3.201 N/A LEU 67.A N ASP 63.A O no hydrogen 2.931 N/A MET 68.A N GLY 64.A O no hydrogen 3.083 N/A MET 69.A N ASN 65.A O no hydrogen 2.888 N/A ASN 70.A N GLU 66.A O no hydrogen 2.769 N/A MET 71.A N LEU 67.A O no hydrogen 2.911 N/A ARG 72.A N MET 68.A O no hydrogen 2.735 N/A ARG 72.A NE GLU 33.A OE1 no hydrogen 2.979 N/A ARG 72.A NH1 GLU 76.A OE2 no hydrogen 3.406 N/A ARG 72.A NH2 GLU 33.A OE2 no hydrogen 2.998 N/A THR 73.A N MET 69.A O no hydrogen 3.098 N/A THR 73.A OG1 MET 69.A O no hydrogen 3.334 N/A GLN 74.A N ASN 70.A O no hydrogen 3.139 N/A SER 75.A N MET 71.A O no hydrogen 2.872 N/A SER 75.A OG HIS 16.A ND1 no hydrogen 3.107 N/A SER 75.A OG HIS 16.A O no hydrogen 3.297 N/A SER 75.A OG MET 71.A O no hydrogen 3.521 N/A GLU 76.A N ARG 72.A O no hydrogen 3.122 N/A LYS 77.A N THR 73.A O no hydrogen 2.789 N/A LYS 77.A NZ TYR 78.A OH no hydrogen 3.210 N/A GLY 79.A N GLU 76.A O no hydrogen 3.008 N/A THR 80.A N SER 75.A O no hydrogen 3.113 N/A THR 80.A OG1 SER 75.A O no hydrogen 2.899 N/A THR 81.A N PRO 29.A O no hydrogen 2.940 N/A ILE 83.A N MET 31.A O no hydrogen 2.946 N/A THR 84.A OG1 GLU 33.A OE2 no hydrogen 2.679 N/A GLU 85.A N ILE 83.A O no hydrogen 2.927 N/A THR 86.A OG1 PHE 35.A O no hydrogen 3.556 N/A ASP 88.A N PHE 100.A O no hydrogen 2.807 N/A HIS 89.A ND1 ASP 88.A OD2 no hydrogen 2.794 N/A ASP 91.A N LYS 98.A O no hydrogen 2.838 N/A SER 93.A N ASP 91.A OD1 no hydrogen 2.944 N/A SER 93.A OG ASP 91.A OD1 no hydrogen 2.762 N/A GLN 95.A NE2 LYS 110.A O no hydrogen 2.922 N/A PHE 97.A N THR 109.A O no hydrogen 2.803 N/A LYS 98.A N ASP 91.A O no hydrogen 2.980 N/A LEU 99.A N VAL 107.A O no hydrogen 2.876 N/A PHE 100.A N HIS 89.A O no hydrogen 2.901 N/A THR 101.A N LYS 105.A O no hydrogen 2.900 N/A GLU 102.A N THR 86.A O no hydrogen 3.128 N/A GLY 104.A N THR 101.A O no hydrogen 2.865 N/A LYS 105.A N THR 101.A OG1 no hydrogen 3.064 N/A VAL 107.A N LEU 99.A O no hydrogen 2.763 N/A THR 109.A N PHE 97.A O no hydrogen 3.014 N/A THR 109.A OG1 HIS 4.A O no hydrogen 3.454 N/A THR 109.A OG1 SER 111.A O no hydrogen 2.774 N/A LYS 110.A N HIS 4.A O no hydrogen 2.879 N/A SER 111.A OG ASP 5.A O no hydrogen 2.560 N/A VAL 112.A N GLY 275.A O no hydrogen 3.086 N/A ILE 113.A N VAL 7.A O no hydrogen 2.923 N/A ILE 114.A N PHE 277.A O no hydrogen 3.036 N/A ALA 115.A N ILE 9.A O no hydrogen 2.854 N/A THR 116.A OG1 ASN 248.A O no hydrogen 2.886 N/A THR 119.A OG1 ASN 248.A OD1 no hydrogen 3.495 N/A LYS 121.A N GLY 244.A O no hydrogen 2.992 N/A ARG 122.A NE GLU 128.A OE2 no hydrogen 2.838 N/A ARG 122.A NH2 GLU 128.A OE2 no hydrogen 3.009 N/A HIS 124.A N GLU 128.A OE1 no hydrogen 2.654 N/A GLU 128.A N VAL 125.A O no hydrogen 2.888 N/A LYS 130.A NZ GLY 215.A O no hydrogen 3.432 N/A TYR 131.A N GLY 127.A O no hydrogen 2.999 N/A TRP 132.A N GLU 128.A O no hydrogen 2.898 N/A TRP 132.A NE1 THR 48.A O no hydrogen 2.872 N/A GLN 133.A N VAL 136.A O no hydrogen 2.820 N/A ASN 134.A N TYR 131.A O no hydrogen 2.657 N/A VAL 136.A N TYR 131.A O no hydrogen 3.247 N/A SER 137.A N LEU 239.A O no hydrogen 3.082 N/A SER 137.A OG CYS 139.A O no hydrogen 3.443 N/A SER 137.A OG ASP 143.A OD2 no hydrogen 2.561 N/A CYS 139.A N SER 137.A OG no hydrogen 3.238 N/A CYS 139.A SG GLN 289.A OE1 no hydrogen 4.027 N/A ALA 140.A N GLU 166.A OE2 no hydrogen 3.320 N/A CYS 142.A SG GLN 289.A OE1 no hydrogen 3.460 N/A ASP 143.A N CYS 139.A O no hydrogen 3.133 N/A GLY 144.A N ALA 140.A O no hydrogen 2.809 N/A VAL 146.A N ASP 143.A O no hydrogen 3.079 N/A ARG 150.A N PRO 147.A O no hydrogen 3.084 N/A ASN 151.A N TYR 173.A O no hydrogen 2.941 N/A LEU 154.A N LYS 176.A O no hydrogen 3.038 N/A MET 155.A N GLY 238.A O no hydrogen 3.002 N/A VAL 156.A N ILE 178.A O no hydrogen 2.763 N/A VAL 157.A N PHE 240.A O no hydrogen 2.872 N/A GLY 158.A N LEU 180.A O no hydrogen 2.989 N/A MET 164.A N GLY 160.A O no hydrogen 3.171 N/A GLU 165.A N ASP 161.A O no hydrogen 3.142 N/A GLU 166.A N ALA 162.A O no hydrogen 3.064 N/A ALA 167.A N ALA 163.A O no hydrogen 3.040 N/A LEU 168.A N MET 164.A O no hydrogen 2.849 N/A HIS 169.A N GLU 165.A O no hydrogen 2.943 N/A LEU 170.A N GLU 166.A O no hydrogen 2.971 N/A LEU 170.A N ALA 167.A O no hydrogen 2.808 N/A THR 171.A N ALA 167.A O no hydrogen 3.029 N/A THR 171.A N LEU 168.A O no hydrogen 3.317 N/A THR 171.A OG1 LEU 168.A O no hydrogen 2.516 N/A LYS 172.A N HIS 169.A O no hydrogen 3.315 N/A TYR 173.A N LEU 170.A O no hydrogen 2.947 N/A GLY 174.A N LEU 170.A O no hydrogen 2.840 N/A SER 175.A N LYS 152.A O no hydrogen 2.895 N/A LYS 176.A NZ GLU 201.A OE2 no hydrogen 3.384 N/A VAL 177.A N LYS 199.A O no hydrogen 2.788 N/A ILE 178.A N LEU 154.A O no hydrogen 2.798 N/A ILE 179.A N GLU 201.A O no hydrogen 3.054 N/A LEU 180.A N VAL 156.A O no hydrogen 2.919 N/A HIS 181.A N ILE 203.A O no hydrogen 3.109 N/A ARG 187.A N GLY 159.A O no hydrogen 3.130 N/A ARG 193.A N THR 189.A O no hydrogen 3.462 N/A VAL 194.A N MET 190.A O no hydrogen 2.861 N/A LEU 195.A N GLN 191.A O no hydrogen 2.786 N/A ASN 196.A N GLU 192.A O no hydrogen 2.975 N/A HIS 197.A N VAL 194.A O no hydrogen 2.915 N/A LYS 199.A N HIS 197.A ND1 no hydrogen 3.389 N/A LYS 199.A NZ THR 171.A O no hydrogen 2.818 N/A LYS 199.A NZ GLY 174.A O no hydrogen 3.023 N/A ILE 200.A N HIS 197.A O no hydrogen 3.140 N/A GLU 201.A N VAL 177.A O no hydrogen 2.991 N/A ILE 203.A N ILE 179.A O no hydrogen 2.907 N/A ASN 205.A N ARG 183.A O no hydrogen 3.348 N/A SER 206.A N HIS 181.A O no hydrogen 3.023 N/A SER 206.A OG TRP 204.A O no hydrogen 2.570 N/A GLU 207.A N HIS 224.A O no hydrogen 2.975 N/A VAL 209.A N LYS 222.A O no hydrogen 2.882 N/A GLU 210.A N LYS 222.A O no hydrogen 3.372 N/A LEU 211.A N PRO 126.A O no hydrogen 3.002 N/A GLU 212.A N GLY 220.A O no hydrogen 2.847 N/A ASP 214.A N LEU 217.A O no hydrogen 3.074 N/A GLY 215.A N TYR 131.A OH no hydrogen 2.888 N/A ASP 216.A N ASP 214.A OD1 no hydrogen 2.646 N/A LEU 217.A N ASP 214.A OD1 no hydrogen 2.899 N/A LEU 218.A N ASN 134.A O no hydrogen 3.125 N/A ASN 219.A N GLU 212.A O no hydrogen 2.782 N/A GLY 220.A N GLU 212.A O no hydrogen 3.007 N/A ALA 221.A N VAL 234.A O no hydrogen 2.806 N/A LYS 222.A N GLU 210.A O no hydrogen 2.819 N/A ILE 223.A N LYS 232.A O no hydrogen 2.909 N/A HIS 224.A N GLU 207.A O no hydrogen 3.044 N/A ASN 225.A N GLU 230.A O no hydrogen 2.825 N/A LEU 226.A N ASN 205.A O no hydrogen 2.744 N/A VAL 227.A N ASN 225.A OD1 no hydrogen 2.858 N/A SER 228.A N ASN 225.A OD1 no hydrogen 2.939 N/A GLY 229.A N ASN 225.A O no hydrogen 2.758 N/A GLU 230.A N SER 228.A OG no hydrogen 3.114 N/A LYS 232.A N ILE 223.A O no hydrogen 3.222 N/A VAL 234.A N ALA 221.A O no hydrogen 2.786 N/A VAL 236.A N ASN 219.A O no hydrogen 3.312 N/A ALA 237.A N VAL 153.A O no hydrogen 2.702 N/A LEU 239.A N GLY 135.A O no hydrogen 3.156 N/A PHE 240.A N MET 155.A O no hydrogen 2.797 N/A TYR 241.A N SER 137.A O no hydrogen 2.928 N/A TYR 241.A OH GLU 128.A OE1 no hydrogen 2.493 N/A ALA 242.A N VAL 157.A O no hydrogen 2.972 N/A SER 246.A N THR 119.A O no hydrogen 2.825 N/A ASN 248.A N GLY 117.A O no hydrogen 2.809 N/A SER 249.A OG GLY 262.A O no hydrogen 2.480 N/A LEU 252.A N SER 249.A O no hydrogen 3.046 N/A GLY 253.A N LYS 250.A O no hydrogen 2.869 N/A GLN 255.A N LEU 252.A O no hydrogen 3.301 N/A LYS 257.A N SER 272.A OG no hydrogen 3.167 N/A THR 258.A OG1 ALA 259.A O no hydrogen 3.274 N/A ALA 259.A N TYR 263.A O no hydrogen 2.754 N/A GLY 262.A N ALA 259.A O no hydrogen 3.091 N/A TYR 263.A N ASP 261.A OD1 no hydrogen 3.444 N/A ILE 264.A N VAL 282.A O no hydrogen 3.064 N/A LEU 265.A N LYS 257.A O no hydrogen 2.965 N/A THR 266.A OG1 GLY 268.A O no hydrogen 2.775 N/A GLU 267.A N LYS 270.A O no hydrogen 2.992 N/A LYS 270.A N GLU 267.A O no hydrogen 3.058 N/A THR 271.A N VAL 276.A O no hydrogen 3.119 N/A THR 271.A OG1 VAL 273.A O no hydrogen 3.351 N/A THR 271.A OG1 VAL 276.A O no hydrogen 2.768 N/A VAL 273.A N THR 271.A OG1 no hydrogen 3.167 N/A VAL 276.A N VAL 273.A O no hydrogen 2.866 N/A PHE 277.A N VAL 112.A O no hydrogen 2.962 N/A ALA 278.A N PRO 269.A O no hydrogen 2.883 N/A CYS 279.A N ILE 114.A O no hydrogen 3.238 N/A GLY 280.A N SER 296.A OG no hydrogen 2.604 N/A CYS 283.A N GLY 280.A O no hydrogen 3.116 N/A CYS 283.A SG GLY 280.A O no hydrogen 3.737 N/A ASP 284.A N ASP 281.A O no hydrogen 3.304 N/A ARG 285.A NE ASP 261.A OD2 no hydrogen 3.105 N/A ARG 285.A NH2 ASP 261.A OD1 no hydrogen 3.021 N/A ARG 285.A NH2 ASP 261.A OD2 no hydrogen 2.877 N/A VAL 286.A N ASP 284.A OD1 no hydrogen 2.795 N/A TYR 287.A N ASP 284.A OD1 no hydrogen 3.024 N/A TYR 287.A N ASP 284.A OD2 no hydrogen 3.223 N/A ARG 288.A N ASP 284.A OD2 no hydrogen 2.848 N/A ALA 293.A N GLN 289.A O no hydrogen 2.943 N/A ALA 294.A N ALA 290.A O no hydrogen 2.865 N/A GLY 295.A N ILE 291.A O no hydrogen 3.162 N/A SER 296.A N VAL 292.A O no hydrogen 2.934 N/A GLY 297.A N ALA 293.A O no hydrogen 2.957 N/A CYS 298.A N ALA 294.A O no hydrogen 3.019 N/A MET 299.A N GLY 295.A O no hydrogen 2.909 N/A ALA 300.A N SER 296.A O no hydrogen 2.909 N/A ALA 301.A N GLY 297.A O no hydrogen 2.947 N/A LEU 302.A N CYS 298.A O no hydrogen 2.990 N/A SER 303.A N MET 299.A O no hydrogen 3.118 N/A SER 303.A OG MET 299.A O no hydrogen 3.075 N/A CYS 304.A N ALA 300.A O no hydrogen 2.891 N/A CYS 304.A SG SER 111.A OG no hydrogen 3.275 N/A GLU 305.A N ALA 301.A O no hydrogen 2.914 N/A LYS 306.A N LEU 302.A O no hydrogen 3.216 N/A TRP 307.A N SER 303.A O no hydrogen 2.913 N/A LEU 308.A N CYS 304.A O no hydrogen 2.826 N/A GLN 309.A N GLU 305.A O no hydrogen 3.085 N/A THR 310.A N TRP 307.A O no hydrogen 3.143 N/A THR 310.A OG1 LYS 306.A O no hydrogen 3.319 N/A THR 310.A OG1 TRP 307.A O no hydrogen 3.255 N/A THR 310.A OG1 HIS 311.A ND1 no hydrogen 3.058 N/A HIS 311.A ND1 TRP 307.A O no hydrogen 3.076 N/A