Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ASP 2.A OD1 no hydrogen 3.207 N/A ALA 5.A N ASP 2.A O no hydrogen 2.946 N/A GLU 9.A N ASN 7.A OD1 no hydrogen 3.424 N/A LEU 10.A N ASN 7.A O no hydrogen 2.892 N/A GLN 12.A NE2 GLU 9.A O no hydrogen 3.495 N/A ALA 13.A N LEU 10.A O no hydrogen 3.173 N/A HIS 16.A N ALA 13.A O no hydrogen 3.172 N/A VAL 17.A N VAL 14.A O no hydrogen 3.157 N/A VAL 18.A N VAL 14.A O no hydrogen 3.009 N/A ILE 19.A N ILE 86.A O no hydrogen 2.663 N/A SER 23.A N GLY 20.A O no hydrogen 2.879 N/A ILE 25.A N THR 44.A O no hydrogen 2.726 N/A HIS 27.A N HIS 42.A O no hydrogen 2.822 N/A ILE 32.A N VAL 40.A O no hydrogen 3.027 N/A GLY 35.A N GLY 38.A O no hydrogen 3.170 N/A HIS 36.A N MET 170.A O no hydrogen 3.269 N/A PHE 37.A N ASP 169.A OD1 no hydrogen 3.011 N/A PHE 37.A N ASP 169.A OD2 no hydrogen 3.023 N/A VAL 40.A N GLY 33.A O no hydrogen 3.016 N/A TYR 41.A N VAL 53.A O no hydrogen 2.734 N/A HIS 42.A ND1 HIS 50.A NE2 no hydrogen 2.759 N/A THR 44.A N ILE 25.A O no hydrogen 2.729 N/A LEU 45.A N ILE 49.A O no hydrogen 2.979 N/A LEU 46.A N SER 23.A O no hydrogen 2.798 N/A ILE 49.A N LEU 45.A O no hydrogen 3.033 N/A HIS 50.A NE2 HIS 42.A ND1 no hydrogen 2.759 N/A CYS 51.A N GLY 43.A O no hydrogen 2.881 N/A ALA 52.A N LEU 98.A O no hydrogen 2.702 N/A VAL 53.A N TYR 41.A O no hydrogen 2.866 N/A LYS 54.A N VAL 96.A O no hydrogen 2.799 N/A LYS 54.A NZ GLY 38.A O no hydrogen 3.341 N/A LYS 54.A NZ ASP 169.A OD2 no hydrogen 2.720 N/A LYS 54.A NZ TYR 171.A OH no hydrogen 3.530 N/A SER 55.A N CYS 39.A O no hydrogen 2.797 N/A ASN 57.A ND2 ASN 57.A O no hydrogen 2.912 N/A ARG 58.A N PHE 37.A O no hydrogen 3.053 N/A ARG 58.A NE HIS 36.A O no hydrogen 2.856 N/A PHE 65.A N GLU 61.A O no hydrogen 2.920 N/A LEU 66.A N VAL 62.A O no hydrogen 2.941 N/A THR 67.A N SER 63.A O no hydrogen 3.212 N/A THR 67.A OG1 SER 63.A O no hydrogen 3.091 N/A THR 67.A OG1 GLN 64.A O no hydrogen 2.800 N/A GLU 68.A N GLN 64.A O no hydrogen 3.071 N/A GLY 69.A N PHE 65.A O no hydrogen 3.147 N/A ILE 70.A N LEU 66.A O no hydrogen 2.898 N/A ILE 71.A N THR 67.A O no hydrogen 2.990 N/A MET 72.A N GLU 68.A O no hydrogen 3.109 N/A LYS 73.A N GLY 69.A O no hydrogen 2.934 N/A LYS 73.A NZ HIS 16.A O no hydrogen 2.755 N/A ASP 74.A N ILE 70.A O no hydrogen 3.203 N/A ASP 74.A N ILE 71.A O no hydrogen 3.195 N/A SER 76.A N TYR 135.A OH no hydrogen 2.768 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 3.014 N/A ASN 79.A ND2 VAL 159.A O no hydrogen 3.122 N/A VAL 80.A N HIS 77.A O no hydrogen 3.040 N/A LEU 81.A N VAL 161.A O no hydrogen 2.889 N/A LEU 84.A N VAL 97.A O no hydrogen 2.941 N/A GLY 85.A N VAL 97.A O no hydrogen 3.393 N/A ILE 86.A N VAL 17.A O no hydrogen 2.761 N/A CYS 87.A N LEU 95.A O no hydrogen 3.038 N/A CYS 87.A SG ILE 19.A O no hydrogen 3.531 N/A ARG 89.A NE SER 93.A O no hydrogen 2.766 N/A SER 93.A N ASN 57.A OD1 no hydrogen 2.814 N/A LEU 95.A N CYS 87.A O no hydrogen 2.951 N/A VAL 96.A N LYS 54.A O no hydrogen 2.898 N/A VAL 97.A N GLY 85.A O no hydrogen 2.902 N/A LEU 98.A N ALA 52.A O no hydrogen 2.853 N/A HIS 103.A N LEU 153.A O no hydrogen 2.942 N/A GLY 104.A N MET 101.A O no hydrogen 3.314 N/A LEU 106.A N CYS 151.A O no hydrogen 2.717 N/A ARG 107.A N ALA 148.A O no hydrogen 3.118 N/A ARG 107.A NE GLY 221.A O no hydrogen 3.013 N/A ARG 107.A NH2 GLY 221.A O no hydrogen 2.948 N/A ASN 108.A N ASP 105.A OD2 no hydrogen 3.175 N/A ASN 108.A ND2 ASP 105.A OD1 no hydrogen 2.762 N/A PHE 109.A N ASP 105.A O no hydrogen 3.121 N/A ILE 110.A N LEU 106.A O no hydrogen 3.091 N/A ARG 111.A N ARG 107.A O no hydrogen 3.132 N/A ARG 111.A N ASN 108.A O no hydrogen 3.216 N/A ARG 111.A NH2 GLY 221.A O no hydrogen 2.787 N/A ASN 112.A N PHE 109.A O no hydrogen 3.178 N/A THR 114.A N ASN 112.A OD1 no hydrogen 2.990 N/A THR 114.A OG1 ASN 112.A OD1 no hydrogen 2.638 N/A HIS 115.A N ASN 112.A O no hydrogen 3.397 N/A THR 118.A N ASP 121.A OD2 no hydrogen 2.923 N/A THR 118.A OG1 GLY 287.A O no hydrogen 2.853 N/A LYS 120.A NZ PHE 282.A O no hydrogen 2.806 N/A LYS 120.A NZ PHE 285.A O no hydrogen 3.084 N/A ASP 121.A N THR 118.A OG1 no hydrogen 3.030 N/A LEU 122.A N THR 118.A O no hydrogen 3.028 N/A ILE 123.A N VAL 119.A O no hydrogen 2.940 N/A GLY 124.A N LYS 120.A O no hydrogen 2.799 N/A PHE 125.A N ASP 121.A O no hydrogen 2.878 N/A GLY 126.A N LEU 122.A O no hydrogen 3.091 N/A LEU 127.A N ILE 123.A O no hydrogen 2.902 N/A GLN 128.A N GLY 124.A O no hydrogen 3.059 N/A GLN 128.A NE2 GLY 124.A O no hydrogen 3.537 N/A VAL 129.A N PHE 125.A O no hydrogen 3.077 N/A ALA 130.A N GLY 126.A O no hydrogen 3.014 N/A LYS 131.A N LEU 127.A O no hydrogen 2.876 N/A GLY 132.A N GLN 128.A O no hydrogen 2.962 N/A MET 133.A N VAL 129.A O no hydrogen 2.857 N/A LYS 134.A N ALA 130.A O no hydrogen 2.934 N/A TYR 135.A N LYS 131.A O no hydrogen 3.136 N/A LEU 136.A N GLY 132.A O no hydrogen 3.067 N/A ALA 137.A N MET 133.A O no hydrogen 2.811 N/A SER 138.A N LYS 134.A O no hydrogen 3.038 N/A SER 138.A OG TYR 135.A O no hydrogen 2.597 N/A LYS 139.A N TYR 135.A O no hydrogen 3.133 N/A LYS 139.A N LEU 136.A O no hydrogen 3.140 N/A LYS 139.A NZ TYR 135.A OH no hydrogen 3.054 N/A LYS 140.A N ALA 137.A O no hydrogen 2.994 N/A PHE 141.A N LEU 136.A O no hydrogen 2.907 N/A HIS 143.A N ASP 206.A OD2 no hydrogen 3.012 N/A HIS 143.A NE2 ALA 162.A O no hydrogen 2.656 N/A ARG 144.A N ASP 206.A OD1 no hydrogen 3.046 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.075 N/A ALA 148.A N GLU 216.A OE1 no hydrogen 3.048 N/A ARG 149.A NE TYR 176.A OH no hydrogen 3.009 N/A ARG 149.A NH1 ASP 145.A OD1 no hydrogen 3.241 N/A ARG 149.A NH1 TYR 176.A OH no hydrogen 3.427 N/A ASN 150.A N ALA 147.A O no hydrogen 2.987 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 2.691 N/A ASN 150.A ND2 TYR 176.A OH no hydrogen 3.563 N/A CYS 151.A N ALA 148.A O no hydrogen 3.370 N/A CYS 151.A SG ALA 147.A O no hydrogen 3.730 N/A MET 152.A N LYS 160.A O no hydrogen 2.897 N/A LEU 153.A N GLY 104.A O no hydrogen 2.987 N/A ASP 154.A N THR 158.A O no hydrogen 3.219 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.796 N/A LYS 156.A N ASP 154.A OD1 no hydrogen 2.768 N/A PHE 157.A N ASP 154.A O no hydrogen 2.997 N/A THR 158.A N ASP 154.A OD1 no hydrogen 3.010 N/A VAL 159.A N GLN 128.A OE1 no hydrogen 2.611 N/A LYS 160.A N MET 152.A O no hydrogen 2.786 N/A LYS 160.A NZ PRO 78.A O no hydrogen 2.667 N/A VAL 161.A N ASN 79.A O no hydrogen 2.649 N/A ALA 162.A N ASN 150.A O no hydrogen 3.066 N/A ALA 167.A N PHE 164.A O no hydrogen 2.987 N/A ARG 168.A N GLY 165.A O no hydrogen 3.271 N/A ASP 169.A N ASP 163.A OD1 no hydrogen 2.808 N/A MET 170.A N ASP 169.A OD1 no hydrogen 2.636 N/A TYR 171.A OH ALA 167.A O no hydrogen 2.624 N/A TYR 175.A N ASP 172.A O no hydrogen 3.236 N/A TYR 176.A N LYS 173.A O no hydrogen 3.294 N/A TYR 176.A OH ASP 145.A OD2 no hydrogen 2.716 N/A SER 177.A N LEU 186.A O no hydrogen 2.889 N/A HIS 179.A N ALA 184.A O no hydrogen 2.937 N/A LYS 181.A N HIS 179.A ND1 no hydrogen 3.079 N/A THR 182.A N HIS 179.A ND1 no hydrogen 3.455 N/A GLY 183.A N HIS 179.A O no hydrogen 3.162 N/A LEU 186.A N SER 177.A O no hydrogen 2.820 N/A VAL 188.A N LEU 186.A O no hydrogen 2.966 N/A LYS 189.A NZ PRO 224.A O no hydrogen 2.984 N/A LYS 189.A NZ TYR 225.A O no hydrogen 2.451 N/A TRP 190.A N PRO 187.A O no hydrogen 2.934 N/A TRP 190.A NE1 GLU 216.A OE1 no hydrogen 2.878 N/A MET 191.A N VAL 188.A O no hydrogen 3.350 N/A GLU 194.A N GLU 194.A OE2 no hydrogen 2.818 N/A SER 195.A OG LYS 200.A O no hydrogen 2.913 N/A LEU 196.A N ALA 192.A O no hydrogen 3.055 N/A GLN 197.A N LEU 193.A O no hydrogen 3.239 N/A THR 198.A N GLU 194.A O no hydrogen 2.810 N/A THR 198.A OG1 GLU 194.A O no hydrogen 2.850 N/A GLN 199.A N SER 195.A O no hydrogen 2.732 N/A THR 202.A N SER 205.A OG no hydrogen 2.748 N/A LYS 204.A NZ ARG 268.A O no hydrogen 2.767 N/A SER 205.A N THR 202.A O no hydrogen 3.043 N/A SER 205.A N THR 202.A OG1 no hydrogen 3.155 N/A SER 205.A OG THR 202.A O no hydrogen 2.737 N/A ASP 206.A N THR 202.A O no hydrogen 2.998 N/A VAL 207.A N THR 203.A O no hydrogen 2.977 N/A TRP 208.A N LYS 204.A O no hydrogen 3.335 N/A SER 209.A N SER 205.A O no hydrogen 3.155 N/A SER 209.A OG TRP 190.A O no hydrogen 2.612 N/A SER 209.A OG SER 205.A O no hydrogen 3.367 N/A PHE 210.A N ASP 206.A O no hydrogen 2.821 N/A GLY 211.A N VAL 207.A O no hydrogen 3.025 N/A VAL 212.A N TRP 208.A O no hydrogen 3.289 N/A LEU 213.A N SER 209.A O no hydrogen 2.956 N/A LEU 214.A N PHE 210.A O no hydrogen 2.898 N/A TRP 215.A N GLY 211.A O no hydrogen 3.229 N/A TRP 215.A NE1 LEU 244.A O no hydrogen 2.675 N/A GLU 216.A N VAL 212.A O no hydrogen 2.923 N/A LEU 217.A N LEU 213.A O no hydrogen 3.031 N/A MET 218.A N LEU 214.A O no hydrogen 3.088 N/A THR 219.A N TRP 215.A O no hydrogen 2.953 N/A THR 219.A OG1 TRP 215.A O no hydrogen 2.623 N/A THR 219.A OG1 GLU 216.A O no hydrogen 3.135 N/A ARG 220.A N LEU 217.A O no hydrogen 3.118 N/A ARG 220.A NE ILE 110.A O no hydrogen 3.018 N/A ARG 220.A NH1 ILE 110.A O no hydrogen 3.225 N/A ARG 220.A NH1 HIS 115.A O no hydrogen 2.774 N/A GLY 221.A N GLU 216.A O no hydrogen 2.688 N/A VAL 228.A N TYR 225.A O no hydrogen 3.300 N/A ASP 232.A N ASN 229.A O no hydrogen 3.078 N/A ILE 233.A N THR 230.A O no hydrogen 3.279 N/A TYR 236.A N ASP 232.A O no hydrogen 3.111 N/A LEU 237.A N ILE 233.A O no hydrogen 2.979 N/A LEU 238.A N THR 234.A O no hydrogen 3.011 N/A GLN 239.A N VAL 235.A O no hydrogen 2.962 N/A GLY 240.A N LEU 237.A O no hydrogen 2.948 N/A ARG 241.A N LEU 237.A O no hydrogen 3.240 N/A ARG 241.A NE GLN 239.A OE1 no hydrogen 2.705 N/A ARG 241.A NH1 GLN 239.A OE1 no hydrogen 3.361 N/A ARG 242.A NE TRP 261.A O no hydrogen 3.080 N/A ARG 242.A NH1 ARG 241.A O no hydrogen 2.993 N/A ARG 242.A NH2 TRP 261.A O no hydrogen 2.746 N/A GLN 245.A NE2 CYS 249.A O no hydrogen 2.796 N/A GLN 245.A NE2 ASP 251.A OD1 no hydrogen 2.915 N/A CYS 249.A N PRO 246.A O no hydrogen 3.136 N/A CYS 249.A SG PRO 250.A O no hydrogen 3.410 N/A TYR 254.A N PRO 250.A O no hydrogen 3.016 N/A TYR 254.A OH LEU 243.A O no hydrogen 2.595 N/A GLU 255.A N ASP 251.A O no hydrogen 3.070 N/A VAL 256.A N PRO 252.A O no hydrogen 3.119 N/A MET 257.A N LEU 253.A O no hydrogen 3.061 N/A LEU 258.A N TYR 254.A O no hydrogen 2.956 N/A LYS 259.A N GLU 255.A O no hydrogen 3.072 N/A CYS 260.A N VAL 256.A O no hydrogen 2.942 N/A CYS 260.A SG VAL 256.A O no hydrogen 3.246 N/A TRP 261.A N MET 257.A O no hydrogen 3.052 N/A TRP 261.A N LEU 258.A O no hydrogen 3.143 N/A HIS 262.A N LYS 259.A O no hydrogen 3.253 N/A LYS 264.A N HIS 262.A ND1 no hydrogen 3.031 N/A MET 267.A N LYS 264.A O no hydrogen 2.931 N/A ARG 268.A N ALA 265.A O no hydrogen 3.121 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.846 N/A ARG 268.A NH1 GLU 194.A OE1 no hydrogen 2.636 N/A ARG 268.A NH1 GLU 194.A OE2 no hydrogen 3.503 N/A ARG 268.A NH1 LYS 204.A O no hydrogen 3.158 N/A ARG 268.A NH2 GLU 194.A OE2 no hydrogen 2.745 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.165 N/A GLU 273.A N SER 270.A OG no hydrogen 3.110 N/A LEU 274.A N SER 270.A O no hydrogen 3.069 N/A VAL 275.A N PHE 271.A O no hydrogen 2.952 N/A SER 276.A N SER 272.A O no hydrogen 2.993 N/A ARG 277.A N GLU 273.A O no hydrogen 2.863 N/A ARG 277.A NE GLU 273.A OE2 no hydrogen 3.169 N/A ILE 278.A N LEU 274.A O no hydrogen 2.826 N/A SER 279.A N VAL 275.A O no hydrogen 2.969 N/A SER 279.A OG VAL 275.A O no hydrogen 3.183 N/A SER 279.A OG SER 276.A O no hydrogen 2.695 N/A ALA 280.A N SER 276.A O no hydrogen 3.250 N/A ILE 281.A N ARG 277.A O no hydrogen 3.218 N/A PHE 282.A N ILE 278.A O no hydrogen 2.818 N/A SER 283.A N SER 279.A O no hydrogen 2.917 N/A SER 283.A OG ALA 280.A O no hydrogen 2.653 N/A THR 284.A N ILE 281.A O no hydrogen 3.114 N/A THR 284.A OG1 ILE 281.A O no hydrogen 2.612 N/A PHE 285.A N PHE 282.A O no hydrogen 3.275 N/A