Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N PRO 1.A O no hydrogen 3.319 N/A GLN 5.A N LEU 2.A O no hydrogen 3.238 N/A GLN 7.A N ILE 24.A O no hydrogen 2.891 N/A GLY 9.A N SER 22.A O no hydrogen 2.638 N/A LEU 12.A N VAL 20.A O no hydrogen 2.717 N/A GLY 13.A N VAL 20.A O no hydrogen 3.219 N/A GLY 15.A N GLY 18.A O no hydrogen 2.910 N/A GLY 18.A N GLY 15.A O no hydrogen 3.158 N/A SER 19.A N HIS 36.A O no hydrogen 3.068 N/A VAL 20.A N GLY 13.A O no hydrogen 2.781 N/A TYR 21.A N ILE 34.A O no hydrogen 2.871 N/A SER 22.A N PRO 10.A O no hydrogen 2.684 N/A GLY 23.A N VAL 32.A O no hydrogen 2.890 N/A ILE 24.A N GLN 7.A O no hydrogen 2.945 N/A ARG 25.A N LEU 30.A O no hydrogen 2.879 N/A ARG 25.A NE ASP 28.A OD1 no hydrogen 3.189 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 3.273 N/A VAL 26.A N GLN 5.A O no hydrogen 2.953 N/A SER 27.A OG GLN 5.A OE1 no hydrogen 3.285 N/A ASP 28.A N ARG 25.A O no hydrogen 3.344 N/A ASN 29.A N ARG 25.A O no hydrogen 2.611 N/A LEU 30.A N ASP 28.A OD1 no hydrogen 3.298 N/A VAL 32.A N GLY 23.A O no hydrogen 2.965 N/A ALA 33.A N LEU 86.A O no hydrogen 2.751 N/A ILE 34.A N TYR 21.A O no hydrogen 2.881 N/A LYS 35.A N LEU 84.A O no hydrogen 2.817 N/A LYS 35.A NZ GLU 55.A OE2 no hydrogen 2.628 N/A HIS 36.A N SER 19.A O no hydrogen 2.848 N/A VAL 37.A N PHE 82.A O no hydrogen 2.845 N/A LYS 39.A N ASP 80.A O no hydrogen 2.785 N/A LYS 39.A NZ GLU 77.A OE2 no hydrogen 2.436 N/A LYS 39.A NZ ARG 78.A O no hydrogen 2.723 N/A LYS 39.A NZ PRO 79.A O no hydrogen 3.266 N/A ARG 41.A N GLU 38.A O no hydrogen 3.075 N/A ILE 42.A N LYS 39.A O no hydrogen 3.065 N/A GLY 46.A N VAL 52.A O no hydrogen 2.701 N/A LEU 48.A N THR 50.A O no hydrogen 2.913 N/A VAL 52.A N GLY 46.A O no hydrogen 3.037 N/A MET 54.A N ASP 44.A O no hydrogen 2.757 N/A VAL 56.A N PRO 53.A O no hydrogen 2.944 N/A VAL 57.A N PRO 53.A O no hydrogen 3.416 N/A LEU 58.A N MET 54.A O no hydrogen 2.927 N/A LEU 59.A N GLU 55.A O no hydrogen 2.911 N/A LYS 60.A N VAL 56.A O no hydrogen 2.966 N/A LYS 61.A N VAL 57.A O no hydrogen 3.036 N/A LYS 61.A NZ CYS 127.A O no hydrogen 2.964 N/A VAL 62.A N LEU 58.A O no hydrogen 3.084 N/A SER 63.A N LYS 60.A O no hydrogen 3.368 N/A PHE 66.A N SER 64.A OG no hydrogen 2.945 N/A SER 67.A OG GLU 147.A OE1 no hydrogen 3.421 N/A ILE 70.A N LEU 150.A O no hydrogen 2.978 N/A ARG 71.A N GLU 87.A OE2 no hydrogen 2.728 N/A ARG 71.A NE SER 64.A O no hydrogen 3.131 N/A LEU 73.A N ILE 85.A O no hydrogen 2.792 N/A ASP 74.A N ILE 85.A O no hydrogen 3.471 N/A PHE 76.A N VAL 83.A O no hydrogen 2.856 N/A ARG 78.A N SER 81.A O no hydrogen 2.706 N/A PHE 82.A N VAL 37.A O no hydrogen 2.855 N/A VAL 83.A N PHE 76.A O no hydrogen 2.966 N/A LEU 84.A N LYS 35.A O no hydrogen 2.691 N/A ILE 85.A N ASP 74.A O no hydrogen 2.852 N/A LEU 86.A N ALA 33.A O no hydrogen 2.835 N/A GLU 87.A N ARG 71.A O no hydrogen 3.068 N/A ARG 88.A N PRO 31.A O no hydrogen 3.225 N/A ARG 88.A NE VAL 32.A O no hydrogen 2.891 N/A ARG 88.A NH2 GLY 23.A O no hydrogen 2.935 N/A GLN 93.A N ILE 141.A O no hydrogen 3.220 N/A GLN 93.A NE2 GLU 101.A OE1 no hydrogen 3.107 N/A LEU 95.A N ILE 139.A O no hydrogen 2.775 N/A ASP 97.A N ASP 94.A OD1 no hydrogen 2.830 N/A PHE 98.A N ASP 94.A O no hydrogen 3.051 N/A ILE 99.A N LEU 95.A O no hydrogen 2.962 N/A THR 100.A N PHE 96.A O no hydrogen 2.923 N/A THR 100.A OG1 PHE 96.A O no hydrogen 3.072 N/A GLU 101.A N ASP 97.A O no hydrogen 2.936 N/A ARG 102.A N PHE 98.A O no hydrogen 2.867 N/A ARG 102.A NH1 HIS 269.A O no hydrogen 2.945 N/A ARG 102.A NH2 HIS 269.A O no hydrogen 2.884 N/A GLY 103.A N ILE 99.A O no hydrogen 2.712 N/A LEU 105.A N MET 201.A O no hydrogen 2.855 N/A ALA 110.A N GLN 106.A O no hydrogen 2.887 N/A ARG 111.A N GLU 107.A O no hydrogen 2.766 N/A ARG 111.A NE TRP 255.A O no hydrogen 2.595 N/A ARG 111.A NH2 TRP 255.A O no hydrogen 3.108 N/A SER 112.A N GLU 108.A O no hydrogen 3.237 N/A SER 112.A OG THR 265.A OG1 no hydrogen 2.669 N/A PHE 113.A N LEU 109.A O no hydrogen 2.988 N/A PHE 114.A N ALA 110.A O no hydrogen 2.825 N/A TRP 115.A N ARG 111.A O no hydrogen 2.953 N/A GLN 116.A N SER 112.A O no hydrogen 3.178 N/A GLN 116.A NE2 GLY 146.A O no hydrogen 2.920 N/A VAL 117.A N PHE 113.A O no hydrogen 3.034 N/A LEU 118.A N PHE 114.A O no hydrogen 2.953 N/A GLU 119.A N TRP 115.A O no hydrogen 2.946 N/A ALA 120.A N GLN 116.A O no hydrogen 3.121 N/A VAL 121.A N VAL 117.A O no hydrogen 2.869 N/A ARG 122.A N LEU 118.A O no hydrogen 2.852 N/A ARG 122.A NH1 GLU 119.A OE2 no hydrogen 3.166 N/A ARG 122.A NH1 GLN 251.A OE1 no hydrogen 3.128 N/A HIS 123.A N GLU 119.A O no hydrogen 2.975 N/A HIS 123.A NE2 VAL 62.A O no hydrogen 2.880 N/A CYS 124.A N ALA 120.A O no hydrogen 3.043 N/A CYS 124.A SG ALA 120.A O no hydrogen 3.409 N/A HIS 125.A N VAL 121.A O no hydrogen 2.943 N/A ASN 126.A N ARG 122.A O no hydrogen 2.879 N/A CYS 127.A N HIS 123.A O no hydrogen 2.998 N/A CYS 127.A SG LYS 61.A O no hydrogen 3.542 N/A CYS 127.A SG HIS 123.A O no hydrogen 3.289 N/A GLY 128.A N HIS 125.A O no hydrogen 3.049 N/A VAL 129.A N CYS 124.A O no hydrogen 2.823 N/A LEU 130.A N ALA 157.A O no hydrogen 2.809 N/A HIS 131.A NE2 ILE 151.A O no hydrogen 2.697 N/A ARG 132.A NE SER 155.A O no hydrogen 2.757 N/A ARG 132.A NH1 SER 155.A O no hydrogen 3.118 N/A ARG 132.A NH1 GLY 156.A O no hydrogen 3.246 N/A ARG 132.A NH1 ASP 166.A OD2 no hydrogen 3.373 N/A ARG 132.A NH2 ASP 166.A OD1 no hydrogen 3.303 N/A ARG 132.A NH2 ASP 166.A OD2 no hydrogen 3.265 N/A ARG 132.A NH2 TYR 184.A OH no hydrogen 3.100 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.056 N/A LYS 135.A NZ GLU 137.A OE2 no hydrogen 3.202 N/A LYS 135.A NZ THR 170.A OG1 no hydrogen 2.760 N/A ASN 138.A N LYS 135.A O no hydrogen 2.926 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.792 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.019 N/A ILE 139.A N ASP 136.A O no hydrogen 3.298 N/A LEU 140.A N LYS 149.A O no hydrogen 2.881 N/A ILE 141.A N GLN 93.A O no hydrogen 2.798 N/A ASP 142.A N GLU 147.A O no hydrogen 2.730 N/A LEU 143.A N PRO 91.A O no hydrogen 3.062 N/A ARG 145.A N ASP 142.A OD1 no hydrogen 3.241 N/A GLY 146.A N ASP 142.A O no hydrogen 2.785 N/A LEU 148.A N GLN 116.A OE1 no hydrogen 2.917 N/A LYS 149.A N LEU 140.A O no hydrogen 2.872 N/A LYS 149.A NZ SER 67.A O no hydrogen 2.444 N/A LEU 150.A N GLY 68.A O no hydrogen 2.900 N/A ILE 151.A N ASN 138.A O no hydrogen 2.915 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.297 N/A SER 155.A OG ASP 168.A O no hydrogen 3.324 N/A GLY 156.A N PHE 153.A O no hydrogen 3.260 N/A ALA 157.A N LEU 130.A O no hydrogen 2.953 N/A LEU 159.A N GLY 128.A O no hydrogen 2.795 N/A LYS 160.A N TYR 164.A OH no hydrogen 3.037 N/A LYS 160.A NZ VAL 163.A O no hydrogen 3.108 N/A TYR 164.A N TYR 184.A O no hydrogen 2.703 N/A TYR 164.A OH LEU 158.A O no hydrogen 2.794 N/A THR 170.A OG1 ASP 133.A OD1 no hydrogen 2.540 N/A ARG 171.A NE ASP 211.A OD1 no hydrogen 3.012 N/A ARG 171.A NH2 ASP 211.A OD2 no hydrogen 3.021 N/A TYR 173.A N THR 170.A O no hydrogen 3.036 N/A SER 174.A N ARG 171.A O no hydrogen 2.927 N/A SER 174.A OG ARG 171.A O no hydrogen 2.667 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.700 N/A TRP 178.A N PRO 175.A O no hydrogen 3.027 N/A ILE 179.A N PRO 175.A O no hydrogen 3.204 N/A ARG 180.A N PRO 176.A O no hydrogen 2.809 N/A TYR 181.A N GLU 177.A O no hydrogen 2.842 N/A HIS 182.A N TRP 178.A O no hydrogen 2.866 N/A TYR 184.A N TYR 164.A O no hydrogen 3.079 N/A TYR 184.A OH ASP 166.A O no hydrogen 2.600 N/A ARG 187.A NH1 LYS 160.A O no hydrogen 3.521 N/A SER 188.A OG HIS 185.A O no hydrogen 3.486 N/A ALA 189.A N HIS 185.A O no hydrogen 3.125 N/A ALA 190.A N GLY 186.A O no hydrogen 2.977 N/A VAL 191.A N ARG 187.A O no hydrogen 2.998 N/A TRP 192.A N SER 188.A O no hydrogen 3.117 N/A SER 193.A N ALA 189.A O no hydrogen 3.091 N/A SER 193.A OG ALA 190.A O no hydrogen 2.602 N/A LEU 194.A N ALA 190.A O no hydrogen 2.965 N/A GLY 195.A N VAL 191.A O no hydrogen 2.904 N/A ILE 196.A N TRP 192.A O no hydrogen 3.073 N/A LEU 197.A N SER 193.A O no hydrogen 3.013 N/A LEU 198.A N LEU 194.A O no hydrogen 2.836 N/A TYR 199.A N GLY 195.A O no hydrogen 3.061 N/A TYR 199.A OH PHE 220.A O no hydrogen 2.645 N/A ASP 200.A N ILE 196.A O no hydrogen 2.905 N/A MET 201.A N LEU 197.A O no hydrogen 2.950 N/A VAL 202.A N LEU 198.A O no hydrogen 3.038 N/A CYS 203.A N TYR 199.A O no hydrogen 2.885 N/A GLY 204.A N ASP 200.A O no hydrogen 2.831 N/A ILE 206.A N ASP 205.A OD1 no hydrogen 2.875 N/A GLU 209.A N GLU 213.A OE1 no hydrogen 2.666 N/A HIS 210.A N GLU 213.A OE1 no hydrogen 2.799 N/A ILE 214.A N HIS 210.A O no hydrogen 3.056 N/A ILE 215.A N ASP 211.A O no hydrogen 3.055 N/A GLY 216.A N GLU 213.A O no hydrogen 3.239 N/A ARG 222.A NE TYR 199.A OH no hydrogen 3.004 N/A SER 226.A N GLU 107.A OE2 no hydrogen 2.898 N/A SER 226.A OG GLU 107.A OE1 no hydrogen 2.622 N/A SER 226.A OG GLU 107.A OE2 no hydrogen 3.518 N/A GLU 228.A N GLU 228.A OE1.B no hydrogen 2.678 N/A CYS 229.A N SER 226.A OG no hydrogen 3.204 N/A GLN 230.A N SER 226.A O no hydrogen 2.926 N/A GLN 230.A NE2 VAL 225.A O no hydrogen 3.423 N/A HIS 231.A N SER 227.A O no hydrogen 2.938 N/A HIS 231.A ND1 HIS 253.A NE2 no hydrogen 2.802 N/A LEU 232.A N GLU 228.A O no hydrogen 3.183 N/A ILE 233.A N CYS 229.A O no hydrogen 2.997 N/A ARG 234.A N GLN 230.A O no hydrogen 2.925 N/A ARG 234.A NH1 GLN 230.A OE1 no hydrogen 2.825 N/A ARG 234.A NH2 VAL 219.A O no hydrogen 2.853 N/A TRP 235.A N HIS 231.A O no hydrogen 2.882 N/A CYS 236.A N LEU 232.A O no hydrogen 2.937 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.493 N/A LEU 237.A N ILE 233.A O no hydrogen 2.923 N/A ALA 238.A N TRP 235.A O no hydrogen 3.157 N/A ASP 243.A N ARG 240.A O no hydrogen 2.827 N/A ARG 244.A N PRO 241.A O no hydrogen 3.206 N/A ARG 244.A NE ALA 238.A O no hydrogen 2.846 N/A ARG 244.A NH1 GLU 177.A OE2 no hydrogen 2.894 N/A ARG 244.A NH1 SER 188.A O no hydrogen 2.979 N/A ARG 244.A NH2 GLU 177.A OE1 no hydrogen 2.911 N/A ARG 244.A NH2 ALA 238.A O no hydrogen 3.119 N/A THR 246.A N GLU 249.A OE1 no hydrogen 2.825 N/A THR 246.A OG1 GLU 249.A OE1 no hydrogen 3.448 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.021 N/A ILE 250.A N THR 246.A O no hydrogen 3.005 N/A GLN 251.A N PHE 247.A O no hydrogen 2.936 N/A GLN 251.A NE2 GLU 119.A OE2 no hydrogen 2.792 N/A ASN 252.A N GLU 248.A O no hydrogen 2.961 N/A HIS 253.A N ILE 250.A O no hydrogen 3.075 N/A HIS 253.A NE2 HIS 231.A ND1 no hydrogen 2.802 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 3.009 N/A TRP 255.A NE1 GLU 107.A OE1 no hydrogen 2.831 N/A MET 256.A N HIS 253.A O no hydrogen 2.930 N/A GLN 257.A N PRO 254.A O no hydrogen 3.268 N/A GLN 257.A NE2.A PRO 254.A O no hydrogen 2.785 N/A GLN 257.A NE2.B GLN 251.A O no hydrogen 2.914 N/A GLN 257.A NE2.B HIS 253.A O no hydrogen 2.776 N/A LEU 261.A N GLU 264.A OE1 no hydrogen 2.777 N/A GLN 263.A NE2.B ASN 144.A O no hydrogen 3.674 N/A THR 265.A N LEU 261.A O no hydrogen 2.958 N/A THR 265.A OG1 SER 112.A OG no hydrogen 2.669 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.769 N/A ALA 266.A N PRO 262.A O no hydrogen 2.989 N/A GLU 267.A N GLN 263.A O no hydrogen 3.047 N/A ILE 268.A N GLU 264.A O no hydrogen 2.877 N/A HIS 269.A N THR 265.A O no hydrogen 2.871 N/A HIS 269.A NE2 GLU 108.A OE1 no hydrogen 2.734 N/A LEU 270.A N ALA 266.A O no hydrogen 2.853 N/A HIS 271.A N ALA 266.A O no hydrogen 2.903 N/A HIS 271.A NE2 ASN 144.A O no hydrogen 2.871 N/A