Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ckp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH2 ARG 4.A O no hydrogen 3.192 N/A TYR 7.A OH LEU 21.A O no hydrogen 2.803 N/A LEU 8.A N ARG 5.A O no hydrogen 2.905 N/A TRP 9.A N ALA 6.A O no hydrogen 2.995 N/A CYS 10.A N ALA 6.A O no hydrogen 3.213 N/A LYS 11.A N TYR 7.A O no hydrogen 2.963 N/A GLU 12.A N TRP 9.A O no hydrogen 3.044 N/A PHE 13.A N TRP 9.A O no hydrogen 2.961 N/A TRP 18.A NE1 PRO 46.A O no hydrogen 3.006 N/A ARG 19.A N GLY 16.A O no hydrogen 3.184 N/A LEU 21.A N ALA 17.A O no hydrogen 3.325 N/A GLU 25.A N ARG 22.A O no hydrogen 3.350 N/A PHE 26.A N GLU 23.A O no hydrogen 3.155 N/A SER 29.A OG VAL 30.A O no hydrogen 3.420 N/A ILE 31.A N LEU 39.A O no hydrogen 3.056 N/A SER 36.A OG LEU 35.A O no hydrogen 2.995 N/A MET 38.A N LEU 53.A O no hydrogen 2.975 N/A LEU 39.A N ARG 32.A O no hydrogen 2.631 N/A GLN 41.A N SER 29.A O no hydrogen 2.639 N/A SER 43.A N HIS 27.A O no hydrogen 2.802 N/A VAL 49.A N CYS 42.A O no hydrogen 2.876 N/A LEU 50.A N GLU 85.A O no hydrogen 2.556 N/A LEU 51.A N PHE 40.A O no hydrogen 2.958 N/A ARG 52.A N ARG 83.A O no hydrogen 3.137 N/A ARG 52.A NE GLU 85.A OE1 no hydrogen 3.360 N/A ARG 52.A NH2 GLU 85.A OE2 no hydrogen 3.166 N/A LEU 53.A N MET 38.A O no hydrogen 3.150 N/A TYR 54.A N GLN 81.A O no hydrogen 2.504 N/A SER 60.A N LEU 58.A O no hydrogen 2.681 N/A SER 60.A OG VAL 57.A O no hydrogen 2.994 N/A VAL 61.A N VAL 57.A O no hydrogen 2.932 N/A MET 62.A N LEU 58.A O no hydrogen 2.763 N/A ALA 64.A N SER 60.A O no hydrogen 3.400 N/A ILE 65.A N VAL 61.A O no hydrogen 3.140 N/A LEU 66.A N MET 62.A O no hydrogen 3.017 N/A ALA 67.A N PHE 63.A O no hydrogen 3.106 N/A ALA 67.A N ALA 64.A O no hydrogen 2.782 N/A GLU 68.A N ALA 64.A O no hydrogen 2.980 N/A ARG 69.A N ILE 65.A O no hydrogen 3.002 N/A LEU 71.A N LEU 66.A O no hydrogen 2.951 N/A LYS 74.A N GLN 86.A OE1 no hydrogen 2.797 N/A TYR 76.A N LEU 84.A O no hydrogen 2.882 N/A PHE 79.A N GLY 82.A O no hydrogen 3.074 N/A GLN 81.A N PHE 79.A O no hydrogen 2.531 N/A GLY 82.A N PHE 79.A O no hydrogen 2.885 N/A ARG 83.A N ARG 52.A O no hydrogen 3.267 N/A ARG 83.A NE GLU 85.A OE1 no hydrogen 2.991 N/A LEU 84.A N GLY 77.A O no hydrogen 2.878 N/A GLU 85.A N LEU 50.A O no hydrogen 2.927 N/A GLN 86.A N LYS 74.A O no hydrogen 3.084 N/A SER 90.A OG ILE 88.A O no hydrogen 2.732 N/A ARG 91.A NH1 ARG 92.A O no hydrogen 3.120 N/A ARG 91.A NH1 GLU 97.A OE1 no hydrogen 3.062 N/A ARG 91.A NH1 GLU 97.A OE2 no hydrogen 3.568 N/A ARG 91.A NH2 GLU 97.A OE2 no hydrogen 3.002 N/A ASP 94.A N GLU 97.A OE1 no hydrogen 2.495 N/A THR 95.A OG1 TYR 211.A O no hydrogen 3.440 N/A GLU 97.A N ASP 94.A O no hydrogen 2.772 N/A LEU 98.A N THR 95.A O no hydrogen 3.473 N/A LEU 100.A N GLU 97.A O no hydrogen 3.110 N/A SER 104.A N LEU 100.A O no hydrogen 2.814 N/A ILE 107.A N ILE 103.A O no hydrogen 3.009 N/A ALA 108.A N SER 104.A O no hydrogen 2.869 N/A GLU 109.A N ALA 105.A O no hydrogen 2.866 N/A LYS 110.A N GLU 106.A O no hydrogen 2.739 N/A MET 111.A N ILE 107.A O no hydrogen 2.744 N/A ALA 112.A N ALA 108.A O no hydrogen 3.073 N/A THR 113.A N GLU 109.A O no hydrogen 2.832 N/A THR 113.A OG1 GLU 109.A O no hydrogen 2.760 N/A PHE 114.A N LYS 110.A O no hydrogen 2.974 N/A HIS 115.A N MET 111.A O no hydrogen 2.971 N/A HIS 115.A ND1 TYR 241.A OH no hydrogen 2.663 N/A HIS 115.A NE2 ASP 201.A OD2 no hydrogen 2.499 N/A GLY 116.A N ALA 112.A O no hydrogen 2.924 N/A MET 117.A N PHE 114.A O no hydrogen 2.996 N/A MET 119.A N TYR 195.A OH no hydrogen 2.812 N/A PHE 121.A N MET 119.A O no hydrogen 2.805 N/A LYS 123.A NZ MET 119.A O no hydrogen 2.716 N/A LYS 123.A NZ PHE 121.A O no hydrogen 2.775 N/A LYS 126.A N GLU 124.A O no hydrogen 2.756 N/A LYS 126.A NZ ASN 122.A O no hydrogen 3.521 N/A LYS 126.A NZ GLU 124.A O no hydrogen 2.706 N/A GLY 130.A N LYS 126.A O no hydrogen 2.976 N/A THR 131.A N TRP 127.A O no hydrogen 3.262 N/A THR 131.A OG1 TRP 127.A O no hydrogen 2.934 N/A MET 132.A N LEU 128.A O no hydrogen 3.203 N/A GLU 133.A N PHE 129.A O no hydrogen 3.150 N/A LYS 134.A N GLY 130.A O no hydrogen 3.185 N/A TYR 135.A N THR 131.A O no hydrogen 2.929 N/A LEU 136.A N MET 132.A O no hydrogen 3.012 N/A LYS 137.A N GLU 133.A O no hydrogen 3.141 N/A GLU 138.A N LYS 134.A O no hydrogen 2.968 N/A VAL 139.A N TYR 135.A O no hydrogen 2.729 N/A LEU 140.A N LEU 136.A O no hydrogen 3.330 N/A LEU 140.A N LYS 137.A O no hydrogen 2.790 N/A LYS 145.A N SER 141.A O no hydrogen 3.028 N/A LYS 145.A NZ ASP 298.A OD2 no hydrogen 3.005 N/A LEU 146.A N ARG 142.A O no hydrogen 2.910 N/A LYS 148.A NZ TYR 152.A OH no hydrogen 3.212 N/A LEU 149.A N LYS 145.A O no hydrogen 3.233 N/A LEU 150.A N LEU 146.A O no hydrogen 2.703 N/A SER 151.A N HIS 147.A O no hydrogen 2.553 N/A SER 151.A OG HIS 147.A O no hydrogen 3.222 N/A SER 151.A OG LYS 148.A O no hydrogen 2.592 N/A TYR 152.A N LEU 149.A O no hydrogen 3.230 N/A TYR 152.A OH ASP 305.A OD1 no hydrogen 2.602 N/A ASN 153.A N LEU 150.A O no hydrogen 2.988 N/A LEU 156.A N ASN 153.A OD1 no hydrogen 3.459 N/A GLU 157.A N ASN 153.A O no hydrogen 3.207 N/A LEU 158.A N LEU 154.A O no hydrogen 2.913 N/A GLU 159.A N LEU 156.A O no hydrogen 2.740 N/A ASN 160.A N LEU 156.A O no hydrogen 2.906 N/A LEU 161.A N GLU 157.A O no hydrogen 2.840 N/A ARG 162.A N LEU 158.A O no hydrogen 2.992 N/A SER 163.A N GLU 159.A O no hydrogen 2.937 N/A LEU 164.A N ASN 160.A O no hydrogen 3.105 N/A LEU 165.A N LEU 161.A O no hydrogen 2.726 N/A GLU 166.A N ARG 162.A O no hydrogen 2.939 N/A SER 167.A N SER 163.A O no hydrogen 3.153 N/A SER 167.A N LEU 164.A O no hydrogen 3.292 N/A SER 167.A OG SER 163.A O no hydrogen 3.279 N/A THR 168.A N LEU 165.A O no hydrogen 3.006 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.948 N/A SER 170.A OG GLU 267.A OE2 no hydrogen 2.675 N/A VAL 173.A N ASN 196.A O no hydrogen 3.039 N/A CYS 175.A N SER 194.A O no hydrogen 2.764 N/A CYS 175.A SG VAL 173.A O no hydrogen 3.266 N/A CYS 175.A SG ASN 196.A O no hydrogen 3.249 N/A CYS 175.A SG TYR 197.A O no hydrogen 3.484 N/A HIS 176.A N ASP 201.A OD2 no hydrogen 3.023 N/A HIS 176.A NE2 ILE 188.A O no hydrogen 3.221 N/A ASN 177.A N ASP 201.A OD1 no hydrogen 2.748 N/A ASN 177.A ND2 TYR 192.A O no hydrogen 3.109 N/A ASP 178.A N HIS 176.A ND1 no hydrogen 2.968 N/A GLN 180.A N ASP 178.A O no hydrogen 2.711 N/A GLN 180.A NE2 ASP 178.A OD1 no hydrogen 3.537 N/A GLN 180.A NE2 ASP 178.A OD2 no hydrogen 3.517 N/A ASN 183.A N GLN 180.A O no hydrogen 2.780 N/A ASN 183.A ND2 ASP 178.A O no hydrogen 2.809 N/A ASN 183.A ND2 ASP 178.A OD2 no hydrogen 2.862 N/A ILE 184.A N GLU 181.A O no hydrogen 3.424 N/A LEU 185.A N MET 186.A O no hydrogen 2.625 N/A ILE 188.A N ASN 183.A O no hydrogen 2.692 N/A SER 193.A N PHE 190.A O no hydrogen 3.048 N/A SER 193.A OG HIS 176.A O no hydrogen 2.984 N/A SER 194.A N CYS 175.A O no hydrogen 3.359 N/A SER 194.A OG TYR 195.A O no hydrogen 2.880 N/A ASN 196.A N VAL 173.A O no hydrogen 3.114 N/A ASN 196.A ND2 ASN 177.A OD1 no hydrogen 2.957 N/A ARG 198.A N PRO 171.A O no hydrogen 2.973 N/A ARG 198.A NE GLU 267.A OE2 no hydrogen 3.113 N/A ARG 198.A NH2 GLU 267.A OE1 no hydrogen 2.662 N/A ARG 198.A NH2 GLU 267.A OE2 no hydrogen 3.402 N/A GLY 199.A N SER 170.A OG no hydrogen 2.870 N/A PHE 200.A N TYR 197.A O no hydrogen 2.915 N/A ILE 202.A N ARG 198.A O no hydrogen 3.313 N/A GLY 203.A N GLY 199.A O no hydrogen 3.053 N/A ASN 204.A N PHE 200.A O no hydrogen 2.893 N/A HIS 205.A N ASP 201.A O no hydrogen 3.101 N/A HIS 205.A ND1 CYS 179.A O no hydrogen 2.877 N/A PHE 206.A N ILE 202.A O no hydrogen 2.864 N/A CYS 207.A N GLY 203.A O no hydrogen 2.853 N/A CYS 207.A SG GLY 203.A O no hydrogen 3.199 N/A CYS 207.A SG ALA 272.A O no hydrogen 3.353 N/A CYS 207.A SG HIS 276.A NE2 no hydrogen 3.196 N/A GLU 208.A N HIS 205.A O no hydrogen 3.125 N/A TRP 209.A N PHE 206.A O no hydrogen 2.849 N/A MET 210.A N CYS 207.A O no hydrogen 3.133 N/A ASP 212.A N ARG 222.A O no hydrogen 3.003 N/A TYR 213.A OH GLU 208.A OE2 no hydrogen 2.305 N/A TYR 213.A OH TYR 299.A OH no hydrogen 2.725 N/A SER 214.A N ASP 212.A OD1 no hydrogen 2.747 N/A SER 214.A OG ASP 212.A OD1 no hydrogen 2.570 N/A SER 214.A OG ASP 212.A OD2 no hydrogen 2.973 N/A TYR 218.A OH ASP 298.A OD1 no hydrogen 3.204 N/A PHE 220.A N LYS 217.A O no hydrogen 2.779 N/A ARG 222.A N ASP 212.A O no hydrogen 2.947 N/A ASN 224.A N MET 210.A O no hydrogen 2.831 N/A TYR 228.A OH ASN 269.A OD1 no hydrogen 2.700 N/A THR 230.A N GLN 233.A OE1 no hydrogen 2.739 N/A THR 230.A OG1 GLN 233.A OE1 no hydrogen 3.002 N/A GLN 234.A N THR 230.A O no hydrogen 2.762 N/A GLN 234.A NE2 PRO 229.A O no hydrogen 2.971 N/A LEU 235.A N LYS 231.A O no hydrogen 2.857 N/A HIS 236.A N LYS 232.A O no hydrogen 3.009 N/A PHE 237.A N GLN 233.A O no hydrogen 3.043 N/A ILE 238.A N GLN 234.A O no hydrogen 3.019 N/A SER 239.A N LEU 235.A O no hydrogen 2.735 N/A SER 239.A OG LEU 235.A O no hydrogen 2.645 N/A SER 240.A N PHE 237.A O no hydrogen 2.806 N/A SER 240.A OG HIS 236.A O no hydrogen 2.845 N/A TYR 241.A N PHE 237.A O no hydrogen 2.891 N/A TYR 241.A OH HIS 115.A ND1 no hydrogen 2.663 N/A LEU 242.A N ILE 238.A O no hydrogen 2.777 N/A ALA 244.A N TYR 241.A O no hydrogen 3.027 N/A PHE 245.A N LEU 242.A O no hydrogen 2.923 N/A GLN 246.A N LEU 242.A O no hydrogen 2.793 N/A PHE 249.A N GLN 246.A O no hydrogen 3.052 N/A ASN 251.A N ASP 248.A O no hydrogen 3.356 N/A LEU 252.A N PHE 249.A O no hydrogen 3.059 N/A SER 253.A N GLU 256.A OE1 no hydrogen 2.688 N/A SER 253.A OG GLU 256.A OE1 no hydrogen 2.468 N/A GLU 256.A N SER 253.A OG no hydrogen 3.382 N/A LYS 257.A N SER 253.A O no hydrogen 2.968 N/A LYS 257.A NZ GLU 250.A O no hydrogen 2.876 N/A LYS 257.A NZ GLU 250.A OE1 no hydrogen 3.162 N/A SER 258.A N THR 254.A O no hydrogen 2.759 N/A ILE 259.A N GLU 255.A O no hydrogen 2.831 N/A ILE 260.A N GLU 256.A O no hydrogen 2.970 N/A LYS 261.A N LYS 257.A O no hydrogen 3.038 N/A GLU 262.A N SER 258.A O no hydrogen 2.855 N/A GLU 263.A N ILE 259.A O no hydrogen 2.898 N/A MET 264.A N ILE 260.A O no hydrogen 2.695 N/A MET 264.A N LYS 261.A O no hydrogen 3.049 N/A LEU 265.A N LYS 261.A O no hydrogen 2.900 N/A LEU 266.A N GLU 262.A O no hydrogen 3.496 N/A GLU 267.A N GLU 263.A O no hydrogen 3.096 N/A VAL 268.A N MET 264.A O no hydrogen 2.993 N/A ASN 269.A N LEU 265.A O no hydrogen 3.284 N/A ASN 269.A ND2 GLN 234.A OE1 no hydrogen 2.855 N/A ASN 269.A ND2 LEU 265.A O no hydrogen 2.631 N/A ARG 270.A N LEU 266.A O no hydrogen 3.027 N/A ARG 270.A NH1 THR 168.A OG1 no hydrogen 2.724 N/A PHE 271.A N GLU 267.A O no hydrogen 3.009 N/A ALA 272.A N VAL 268.A O no hydrogen 2.809 N/A LEU 273.A N ARG 270.A O no hydrogen 3.288 N/A SER 275.A N PHE 271.A O no hydrogen 3.109 N/A SER 275.A OG ASN 204.A OD1 no hydrogen 2.584 N/A HIS 276.A N ALA 272.A O no hydrogen 3.172 N/A PHE 277.A N LEU 273.A O no hydrogen 2.988 N/A LEU 278.A N ALA 274.A O no hydrogen 2.685 N/A TRP 279.A N SER 275.A O no hydrogen 3.220 N/A TRP 279.A NE1 ASN 204.A OD1 no hydrogen 2.709 N/A GLY 280.A N HIS 276.A O no hydrogen 2.878 N/A LEU 281.A N PHE 277.A O no hydrogen 2.929 N/A TRP 282.A N LEU 278.A O no hydrogen 2.774 N/A SER 283.A N TRP 279.A O no hydrogen 2.917 N/A SER 283.A OG TYR 296.A O no hydrogen 2.547 N/A VAL 285.A N LEU 281.A O no hydrogen 3.371 N/A GLN 286.A N TRP 282.A O no hydrogen 3.229 N/A GLN 286.A N SER 283.A O no hydrogen 2.866 N/A ALA 287.A N SER 283.A O no hydrogen 2.962 N/A ILE 289.A N VAL 285.A O no hydrogen 3.170 N/A SER 290.A OG TYR 296.A OH no hydrogen 3.204 N/A TYR 296.A OH SER 290.A OG no hydrogen 3.204 N/A TYR 299.A N GLY 295.A O no hydrogen 2.932 N/A TYR 299.A OH TYR 213.A OH no hydrogen 2.725 N/A ALA 300.A N TYR 296.A O no hydrogen 3.012 N/A GLN 301.A N MET 297.A O no hydrogen 2.696 N/A GLN 301.A NE2 TYR 152.A OH no hydrogen 3.420 N/A ALA 302.A N ASP 298.A O no hydrogen 2.853 N/A ARG 303.A N TYR 299.A O no hydrogen 2.903 N/A ARG 303.A NE HIS 276.A ND1 no hydrogen 2.965 N/A ARG 303.A NH1 TYR 299.A OH no hydrogen 3.237 N/A ARG 303.A NH2 SER 275.A OG no hydrogen 2.922 N/A ARG 303.A NH2 HIS 276.A ND1 no hydrogen 2.980 N/A PHE 304.A N ALA 300.A O no hydrogen 2.881 N/A ASP 305.A N GLN 301.A O no hydrogen 3.033 N/A ASP 305.A N ALA 302.A O no hydrogen 3.184 N/A ALA 306.A N ALA 302.A O no hydrogen 3.156 N/A TYR 307.A N ARG 303.A O no hydrogen 3.132 N/A TYR 307.A OH GLU 157.A OE2 no hydrogen 3.137 N/A PHE 308.A N PHE 304.A O no hydrogen 3.158 N/A HIS 309.A N ASP 305.A O no hydrogen 2.761 N/A GLN 310.A N ALA 306.A O no hydrogen 2.398 N/A GLN 310.A NE2 TYR 228.A OH no hydrogen 3.260 N/A LYS 311.A N TYR 307.A O no hydrogen 3.096 N/A LYS 311.A NZ GLU 157.A OE1 no hydrogen 2.945 N/A LYS 311.A NZ GLU 157.A OE2 no hydrogen 2.778 N/A ARG 312.A N PHE 308.A O no hydrogen 3.266 N/A ARG 312.A N HIS 309.A O no hydrogen 2.976 N/A LYS 313.A N HIS 309.A O no hydrogen 3.207 N/A LEU 314.A N GLN 310.A O no hydrogen 3.202 N/A GLY 315.A N LYS 311.A O no hydrogen 3.098 N/A