Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cjf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N.A LEU 4.A O no hydrogen 3.329 N/A ARG 3.A N.B LEU 4.A O no hydrogen 3.337 N/A LEU 4.A N CYS 1.A O no hydrogen 3.153 N/A TYR 6.A OH GLU 12.A OE1 no hydrogen 2.755 N/A TRP 11.A N ASP 7.A O no hydrogen 3.150 N/A GLU 12.A N ALA 8.A O no hydrogen 2.832 N/A PHE 13.A N ALA 87.A O no hydrogen 2.750 N/A ARG 15.A NE PRO 94.A O no hydrogen 3.158 N/A ARG 15.A NH1 LYS 90.A O no hydrogen 2.967 N/A ARG 15.A NH2 LYS 90.A O no hydrogen 2.722 N/A ARG 15.A NH2 PRO 94.A O no hydrogen 3.150 N/A ARG 17.A N PRO 14.A O no hydrogen 3.164 N/A LEU 18.A N ARG 15.A O no hydrogen 3.060 N/A ASN 19.A N ASP 36.A O no hydrogen 2.797 N/A GLY 21.A N GLU 34.A O no hydrogen 2.581 N/A LEU 24.A N VAL 32.A O no hydrogen 2.841 N/A GLY 25.A N VAL 32.A O no hydrogen 3.144 N/A GLY 27.A N GLY 30.A O no hydrogen 2.880 N/A GLN 31.A N MET 52.A O no hydrogen 3.012 N/A VAL 32.A N GLY 25.A O no hydrogen 2.734 N/A ILE 33.A N VAL 50.A O no hydrogen 2.680 N/A GLU 34.A N LYS 22.A O no hydrogen 2.868 N/A ALA 35.A N VAL 48.A O no hydrogen 2.969 N/A ASP 36.A N ASN 19.A O no hydrogen 2.791 N/A ALA 37.A N ARG 46.A O.A no hydrogen 2.902 N/A ALA 37.A N ARG 46.A O.B no hydrogen 2.723 N/A PHE 38.A N ARG 17.A O no hydrogen 3.033 N/A GLY 39.A N THR 45.A O no hydrogen 2.914 N/A LYS 42.A N.A GLY 39.A O no hydrogen 3.128 N/A LYS 42.A N.B GLY 39.A O no hydrogen 3.160 N/A THR 43.A N ASP 41.A OD1 no hydrogen 2.975 N/A THR 43.A OG1 ASP 41.A OD1 no hydrogen 2.546 N/A THR 43.A OG1 ASP 41.A OD2 no hydrogen 3.127 N/A THR 43.A OG1 THR 45.A OG1 no hydrogen 2.814 N/A THR 45.A OG1 THR 43.A OG1 no hydrogen 2.814 N/A ARG 46.A NE.A ASP 41.A OD2 no hydrogen 3.250 N/A ARG 46.A NH2.A ASP 41.A OD2 no hydrogen 2.986 N/A THR 47.A OG1 ASP 36.A OD1 no hydrogen 3.217 N/A VAL 48.A N ALA 35.A O no hydrogen 2.769 N/A ALA 49.A N VAL 99.A O no hydrogen 3.035 N/A VAL 50.A N ILE 33.A O no hydrogen 2.684 N/A LYS 51.A N VAL 97.A O no hydrogen 2.871 N/A MET 52.A N GLN 31.A O no hydrogen 2.816 N/A LEU 53.A N LEU 95.A O no hydrogen 3.339 N/A LYS 54.A NZ GLY 27.A O no hydrogen 2.956 N/A HIS 62.A N THR 58.A O no hydrogen 2.890 N/A ARG 63.A N HIS 59.A O no hydrogen 2.779 N/A ALA 64.A N SER 60.A O no hydrogen 2.833 N/A LEU 65.A N GLU 61.A O no hydrogen 3.229 N/A MET 66.A N HIS 62.A O no hydrogen 2.990 N/A SER 67.A N ARG 63.A O no hydrogen 2.651 N/A SER 67.A OG ARG 63.A O no hydrogen 2.982 N/A GLU 68.A N ALA 64.A O no hydrogen 2.855 N/A LEU 69.A N LEU 65.A O no hydrogen 2.935 N/A LYS 70.A N MET 66.A O no hydrogen 3.080 N/A LYS 70.A NZ LEU 4.A O no hydrogen 3.231 N/A ILE 71.A N SER 67.A O no hydrogen 2.767 N/A LEU 72.A N GLU 68.A O no hydrogen 2.962 N/A ILE 73.A N LEU 69.A O no hydrogen 2.976 N/A HIS 74.A N LYS 70.A O no hydrogen 2.851 N/A ILE 75.A N ILE 71.A O no hydrogen 2.832 N/A GLY 76.A N LEU 72.A O no hydrogen 3.268 N/A HIS 78.A N ASN 83.A OD1 no hydrogen 3.118 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 3.095 N/A ASN 80.A ND2 GLN 136.A OE1 no hydrogen 3.010 N/A ASN 80.A ND2 VAL 166.A O no hydrogen 2.907 N/A VAL 81.A N HIS 78.A O no hydrogen 3.376 N/A VAL 82.A N ILE 168.A O no hydrogen 2.882 N/A ASN 83.A N GLU 100.A OE1 no hydrogen 2.852 N/A ASN 83.A ND2 HIS 78.A O no hydrogen 2.812 N/A ASN 83.A ND2 GLU 100.A OE1 no hydrogen 3.102 N/A ASN 83.A ND2 GLU 100.A OE2 no hydrogen 3.327 N/A LEU 85.A N ILE 98.A O no hydrogen 2.752 N/A GLY 86.A N ILE 98.A O no hydrogen 3.173 N/A ALA 87.A N TRP 11.A O no hydrogen 3.024 N/A CYS 88.A N MET 96.A O no hydrogen 2.892 N/A CYS 88.A SG PHE 13.A O no hydrogen 3.310 N/A THR 89.A N GLU 12.A OE2 no hydrogen 2.870 N/A THR 89.A OG1 GLU 12.A OE1 no hydrogen 2.875 N/A LYS 90.A N GLU 12.A OE2 no hydrogen 3.227 N/A MET 96.A N CYS 88.A O no hydrogen 3.017 N/A VAL 97.A N LYS 51.A O no hydrogen 2.817 N/A ILE 98.A N GLY 86.A O no hydrogen 2.897 N/A VAL 99.A N ALA 49.A O no hydrogen 2.829 N/A GLU 100.A N ASN 83.A O no hydrogen 2.985 N/A CYS 102.A SG SER 161.A OG no hydrogen 2.966 N/A PHE 104.A N LEU 160.A O no hydrogen 3.041 N/A GLY 105.A N CYS 102.A O no hydrogen 3.155 N/A ASN 106.A ND2 THR 109.A OG1 no hydrogen 2.723 N/A LEU 107.A N ILE 158.A O no hydrogen 2.650 N/A SER 108.A OG ASN 106.A OD1 no hydrogen 2.597 N/A THR 109.A N ASN 106.A OD1 no hydrogen 2.925 N/A TYR 110.A N ASN 106.A O no hydrogen 3.173 N/A LEU 111.A N LEU 107.A O no hydrogen 2.828 N/A ARG 112.A N SER 108.A O no hydrogen 3.191 N/A ARG 112.A NE GLY 211.A O no hydrogen 3.298 N/A SER 113.A N THR 109.A O no hydrogen 3.270 N/A SER 113.A N TYR 110.A O no hydrogen 2.881 N/A SER 113.A OG TYR 110.A O no hydrogen 2.660 N/A LYS 114.A N LEU 111.A O no hydrogen 2.879 N/A LYS 114.A NZ GLU 117.A OE1 no hydrogen 2.673 N/A LYS 114.A NZ ASP 124.A O no hydrogen 2.841 N/A ARG 115.A NE LEU 210.A O no hydrogen 2.934 N/A ARG 115.A NH2 LEU 210.A O no hydrogen 3.165 N/A GLU 117.A N LYS 114.A O no hydrogen 2.944 N/A VAL 119.A N LEU 126.A O no hydrogen 2.892 N/A LEU 126.A N GLU 117.A O no hydrogen 2.994 N/A THR 127.A N HIS 130.A ND1 no hydrogen 3.230 N/A THR 127.A OG1 HIS 130.A ND1 no hydrogen 3.017 N/A LEU 128.A N PRO 120.A O no hydrogen 2.969 N/A HIS 130.A ND1 THR 127.A OG1 no hydrogen 3.017 N/A LEU 131.A N THR 127.A O no hydrogen 3.176 N/A ILE 132.A N LEU 128.A O no hydrogen 2.860 N/A SER 134.A N LEU 131.A O no hydrogen 3.007 N/A SER 134.A OG LEU 131.A O no hydrogen 2.768 N/A PHE 135.A N ILE 132.A O no hydrogen 2.884 N/A GLN 136.A NE2 ASN 164.A O no hydrogen 2.759 N/A VAL 137.A N TYR 133.A O no hydrogen 2.959 N/A ALA 138.A N SER 134.A O no hydrogen 3.037 N/A LYS 139.A N PHE 135.A O no hydrogen 3.032 N/A LYS 139.A NZ ASN 80.A OD1 no hydrogen 3.407 N/A GLY 140.A N GLN 136.A O no hydrogen 2.890 N/A MET 141.A N VAL 137.A O no hydrogen 2.791 N/A GLU 142.A N ALA 138.A O no hydrogen 2.653 N/A PHE 143.A N LYS 139.A O no hydrogen 3.010 N/A LEU 144.A N GLY 140.A O no hydrogen 2.967 N/A ALA 145.A N MET 141.A O no hydrogen 2.769 N/A SER 146.A N GLU 142.A O no hydrogen 3.001 N/A SER 146.A OG PHE 143.A O no hydrogen 2.633 N/A ARG 147.A N PHE 143.A O no hydrogen 3.178 N/A ARG 147.A N LEU 144.A O no hydrogen 2.977 N/A ARG 147.A NE ILE 75.A O no hydrogen 2.963 N/A ARG 147.A NH2 HIS 74.A O no hydrogen 2.707 N/A LYS 148.A N ALA 145.A O no hydrogen 2.661 N/A ILE 149.A N ARG 172.A O no hydrogen 2.889 N/A HIS 150.A N ASP 196.A OD2 no hydrogen 2.846 N/A ARG 151.A N LEU 170.A O no hydrogen 2.600 N/A ASP 152.A N HIS 150.A ND1 no hydrogen 3.155 N/A ALA 155.A N GLU 206.A OE1 no hydrogen 2.914 N/A ARG 156.A NE ASP 152.A OD2 no hydrogen 3.285 N/A ARG 156.A NH1 ASP 152.A OD1 no hydrogen 2.986 N/A ASN 157.A N ALA 154.A O no hydrogen 2.763 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.577 N/A ASN 157.A ND2 ASP 152.A OD2 no hydrogen 2.724 N/A ILE 158.A N ALA 155.A O no hydrogen 3.144 N/A LEU 159.A N LYS 167.A O no hydrogen 2.887 N/A LEU 160.A N GLY 105.A O no hydrogen 2.859 N/A SER 161.A N VAL 165.A O no hydrogen 2.812 N/A VAL 165.A N GLU 162.A O no hydrogen 3.135 N/A VAL 166.A N GLN 136.A OE1 no hydrogen 2.984 N/A LYS 167.A N LEU 159.A O no hydrogen 2.943 N/A LYS 167.A NZ LEU 79.A O no hydrogen 2.755 N/A LYS 167.A NZ VAL 81.A O no hydrogen 3.396 N/A LYS 167.A NZ GLU 100.A OE1 no hydrogen 2.965 N/A ILE 168.A N ASN 80.A O no hydrogen 2.911 N/A ARG 172.A N ILE 149.A O no hydrogen 3.073 N/A TYR 175.A N TYR 191.A O no hydrogen 3.029 N/A LYS 179.A NZ PRO 214.A O no hydrogen 2.734 N/A TRP 180.A N PRO 177.A O no hydrogen 2.996 N/A TRP 180.A NE1 GLU 206.A OE1 no hydrogen 2.912 N/A MET 181.A N LEU 178.A O no hydrogen 3.255 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.730 N/A THR 185.A N ALA 182.A O no hydrogen 2.897 N/A THR 185.A OG1 VAL 190.A O no hydrogen 2.759 N/A ILE 186.A N ALA 182.A O no hydrogen 3.035 N/A PHE 187.A N PRO 183.A O no hydrogen 2.965 N/A ASP 188.A N GLU 184.A O no hydrogen 3.176 N/A ARG 189.A N THR 185.A O no hydrogen 2.450 N/A TYR 191.A N TYR 175.A O no hydrogen 3.079 N/A THR 192.A N SER 195.A OG no hydrogen 2.857 N/A GLN 194.A N THR 192.A OG1 no hydrogen 3.104 N/A GLN 194.A NE2 PRO 255.A O no hydrogen 2.987 N/A GLN 194.A NE2 ARG 258.A O no hydrogen 3.156 N/A GLN 194.A NE2 PRO 259.A O no hydrogen 3.284 N/A SER 195.A OG GLU 184.A OE2 no hydrogen 3.168 N/A SER 195.A OG THR 192.A O no hydrogen 3.427 N/A ASP 196.A N THR 192.A O no hydrogen 3.203 N/A VAL 197.A N ILE 193.A O no hydrogen 3.032 N/A TRP 198.A N GLN 194.A O no hydrogen 3.275 N/A SER 199.A N SER 195.A O no hydrogen 3.180 N/A SER 199.A OG TRP 180.A O no hydrogen 2.729 N/A SER 199.A OG SER 195.A O no hydrogen 3.234 N/A PHE 200.A N ASP 196.A O no hydrogen 2.813 N/A GLY 201.A N VAL 197.A O no hydrogen 3.093 N/A VAL 202.A N TRP 198.A O no hydrogen 3.214 N/A LEU 203.A N SER 199.A O no hydrogen 2.801 N/A LEU 204.A N PHE 200.A O no hydrogen 2.750 N/A TRP 205.A N GLY 201.A O no hydrogen 3.071 N/A TRP 205.A NE1 ARG 234.A O.A no hydrogen 2.983 N/A TRP 205.A NE1 ARG 234.A O.B no hydrogen 2.998 N/A GLU 206.A N VAL 202.A O no hydrogen 2.972 N/A ILE 207.A N LEU 203.A O no hydrogen 2.890 N/A PHE 208.A N LEU 204.A O no hydrogen 2.934 N/A SER 209.A N TRP 205.A O no hydrogen 2.891 N/A SER 209.A N GLU 206.A O no hydrogen 3.353 N/A SER 209.A OG TRP 205.A O no hydrogen 2.919 N/A SER 209.A OG GLU 206.A O no hydrogen 2.952 N/A LEU 210.A N ILE 207.A O no hydrogen 2.970 N/A GLY 211.A N GLU 206.A O no hydrogen 2.842 N/A ALA 212.A N SER 209.A OG no hydrogen 3.034 N/A VAL 218.A N TYR 215.A O no hydrogen 3.209 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 3.121 N/A PHE 224.A N ASP 221.A OD1 no hydrogen 3.084 N/A ARG 225.A NE GLU 223.A OE2 no hydrogen 2.652 N/A ARG 225.A NH1 GLU 223.A OE1 no hydrogen 3.144 N/A ARG 225.A NH1 GLU 223.A OE2 no hydrogen 3.149 N/A ARG 226.A N GLU 223.A O no hydrogen 2.671 N/A LEU 227.A N PHE 224.A O no hydrogen 2.896 N/A GLU 229.A N ARG 225.A O no hydrogen 2.979 N/A GLY 230.A N ARG 226.A O no hydrogen 3.224 N/A GLY 230.A N LEU 227.A O no hydrogen 3.329 N/A THR 231.A N ARG 226.A O no hydrogen 2.917 N/A ARG 232.A NE TRP 251.A O no hydrogen 3.042 N/A ARG 232.A NH1 LEU 227.A O no hydrogen 3.001 N/A ARG 232.A NH1 THR 231.A O no hydrogen 3.033 N/A ARG 232.A NH2 TRP 251.A O no hydrogen 2.822 N/A TYR 238.A N PHE 208.A O no hydrogen 3.009 N/A THR 239.A N PRO 236.A O no hydrogen 3.473 N/A THR 239.A OG1 THR 240.A O no hydrogen 2.765 N/A MET 243.A N THR 240.A OG1 no hydrogen 3.110 N/A TYR 244.A N THR 240.A O no hydrogen 3.130 N/A TYR 244.A OH MET 233.A O no hydrogen 2.606 N/A GLN 245.A N PRO 241.A O no hydrogen 2.945 N/A GLN 245.A NE2 GLN 245.A O no hydrogen 3.194 N/A GLN 245.A NE2 ASP 249.A OD1 no hydrogen 3.088 N/A THR 246.A N GLU 242.A O no hydrogen 3.080 N/A THR 246.A OG1 GLU 242.A O no hydrogen 2.970 N/A MET 247.A N MET 243.A O no hydrogen 3.075 N/A LEU 248.A N TYR 244.A O no hydrogen 2.947 N/A ASP 249.A N GLN 245.A O no hydrogen 2.958 N/A CYS 250.A N THR 246.A O no hydrogen 2.957 N/A CYS 250.A SG THR 246.A O no hydrogen 3.340 N/A TRP 251.A N MET 247.A O no hydrogen 2.990 N/A HIS 252.A N ASP 249.A O no hydrogen 3.048 N/A GLU 254.A N.A HIS 252.A ND1 no hydrogen 3.205 N/A GLU 254.A N.B HIS 252.A ND1 no hydrogen 3.208 N/A SER 256.A OG GLU 254.A OE1.B no hydrogen 3.005 N/A GLN 257.A N GLU 254.A O.A no hydrogen 2.874 N/A GLN 257.A N GLU 254.A O.B no hydrogen 2.913 N/A ARG 258.A N PRO 255.A O no hydrogen 3.252 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.697 N/A ARG 258.A NH1 GLU 184.A OE2 no hydrogen 2.867 N/A ARG 258.A NH1 GLN 194.A O no hydrogen 2.908 N/A ARG 258.A NH2 GLU 184.A OE1 no hydrogen 3.035 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 2.997 N/A THR 260.A N GLU 263.A OE1 no hydrogen 3.050 N/A SER 262.A OG GLU 142.A OE2 no hydrogen 2.824 N/A GLU 263.A N THR 260.A OG1 no hydrogen 3.074 N/A LEU 264.A N THR 260.A O no hydrogen 2.906 N/A VAL 265.A N PHE 261.A O no hydrogen 2.752 N/A GLU 266.A N SER 262.A O no hydrogen 3.088 N/A HIS 267.A N GLU 263.A O no hydrogen 2.984 N/A LEU 268.A N LEU 264.A O no hydrogen 2.797 N/A GLY 269.A N VAL 265.A O no hydrogen 2.994 N/A ASN 270.A N GLU 266.A O no hydrogen 3.178 N/A ASN 270.A N HIS 267.A O no hydrogen 3.250 N/A LEU 271.A N HIS 267.A O no hydrogen 3.126 N/A LEU 272.A N LEU 268.A O no hydrogen 2.856 N/A GLN 273.A N.A GLY 269.A O no hydrogen 3.219 N/A GLN 273.A N.B GLY 269.A O no hydrogen 3.238 N/A ALA 274.A N ASN 270.A O no hydrogen 2.838 N/A ASN 275.A N LEU 271.A O no hydrogen 2.885 N/A ALA 276.A N LEU 272.A O no hydrogen 2.787 N/A