Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kj2_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.099 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.289 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.110 N/A LEU 5.A N CYS 101.A O no hydrogen 2.972 N/A ARG 6.A N TYR 27.A O no hydrogen 3.093 N/A TYR 7.A N SER 99.A O no hydrogen 2.651 N/A PHE 8.A N VAL 25.A O no hydrogen 2.856 N/A VAL 9.A N VAL 97.A O no hydrogen 3.048 N/A THR 10.A N MET 23.A O no hydrogen 2.998 N/A ALA 11.A N ILE 95.A O no hydrogen 2.825 N/A VAL 12.A N ARG 21.A O no hydrogen 3.051 N/A SER 13.A N HIS 93.A O no hydrogen 2.873 N/A SER 13.A OG HIS 93.A O no hydrogen 3.561 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.729 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.994 N/A LEU 17.A N PRO 15.A O no hydrogen 2.600 N/A GLY 18.A N GLY 16.A O no hydrogen 2.444 N/A ARG 21.A N VAL 12.A O no hydrogen 2.872 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.967 N/A TYR 22.A N SER 38.A OG no hydrogen 2.840 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.514 N/A MET 23.A N THR 10.A O no hydrogen 2.996 N/A GLU 24.A N PHE 36.A O no hydrogen 2.906 N/A GLY 26.A N VAL 34.A O no hydrogen 2.973 N/A TYR 27.A N ARG 6.A O no hydrogen 2.878 N/A VAL 28.A N THR 31.A O no hydrogen 2.845 N/A ASP 29.A N SER 4.A O no hydrogen 2.660 N/A THR 31.A N VAL 28.A O no hydrogen 3.093 N/A PHE 33.A N GLY 26.A O no hydrogen 2.876 N/A ARG 35.A N GLU 46.A O no hydrogen 3.187 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.717 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 2.910 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 3.406 N/A PHE 36.A N GLU 24.A O no hydrogen 2.876 N/A SER 38.A N TYR 22.A O no hydrogen 2.783 N/A SER 38.A OG TYR 22.A O no hydrogen 3.182 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.939 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.150 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.509 N/A GLU 46.A N ARG 35.A O no hydrogen 3.096 N/A ARG 48.A N PHE 33.A O no hydrogen 2.799 N/A MET 52.A N ALA 49.A O no hydrogen 2.535 N/A GLU 53.A N ARG 50.A O no hydrogen 3.293 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 2.964 N/A GLU 55.A N MET 52.A O no hydrogen 3.228 N/A TYR 59.A N GLY 56.A O no hydrogen 3.050 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.343 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.203 N/A ARG 62.A N GLU 58.A O no hydrogen 3.205 N/A GLU 63.A N TYR 59.A O no hydrogen 2.974 N/A THR 64.A N TRP 60.A O no hydrogen 3.094 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.500 N/A GLN 65.A N GLU 61.A O no hydrogen 2.852 N/A LYS 66.A N ARG 62.A O no hydrogen 2.928 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.894 N/A ALA 67.A N GLU 63.A O no hydrogen 2.939 N/A LYS 68.A N THR 64.A O no hydrogen 3.030 N/A GLY 69.A N LYS 66.A O no hydrogen 3.076 N/A ASN 70.A N LYS 66.A O no hydrogen 2.947 N/A ASN 70.A ND2 GLU 24.A OE2 no hydrogen 3.242 N/A GLU 71.A N ALA 67.A O no hydrogen 2.785 N/A GLN 72.A N LYS 68.A O no hydrogen 3.401 N/A SER 73.A N GLY 69.A O no hydrogen 2.999 N/A PHE 74.A N ASN 70.A O no hydrogen 2.995 N/A ARG 75.A N GLU 71.A O no hydrogen 3.195 N/A ARG 75.A N GLN 72.A O no hydrogen 3.227 N/A ARG 75.A NH1 GLU 71.A OE2 no hydrogen 3.079 N/A ARG 75.A NH2 GLU 71.A OE2 no hydrogen 3.076 N/A VAL 76.A N GLN 72.A O no hydrogen 3.336 N/A ASP 77.A N SER 73.A O no hydrogen 3.129 N/A LEU 78.A N PHE 74.A O no hydrogen 2.853 N/A ARG 79.A N ARG 75.A O no hydrogen 3.326 N/A THR 80.A N VAL 76.A O no hydrogen 2.833 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.937 N/A LEU 81.A N ASP 77.A O no hydrogen 3.075 N/A LEU 82.A N LEU 78.A O no hydrogen 3.159 N/A GLY 83.A N ARG 79.A O no hydrogen 3.255 N/A GLY 83.A N THR 80.A O no hydrogen 2.640 N/A TYR 84.A N THR 80.A O no hydrogen 3.124 N/A TYR 85.A N LEU 81.A O no hydrogen 3.080 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.360 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.193 N/A ASN 86.A N GLY 83.A O no hydrogen 3.094 N/A GLN 87.A N LEU 82.A O no hydrogen 3.010 N/A SER 92.A OG SER 13.A O no hydrogen 2.248 N/A HIS 93.A N SER 13.A OG no hydrogen 2.812 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.682 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.806 N/A ILE 95.A N ALA 11.A O no hydrogen 2.799 N/A GLN 96.A N ALA 117.A O no hydrogen 3.047 N/A VAL 97.A N VAL 9.A O no hydrogen 3.013 N/A ILE 98.A N GLN 115.A O no hydrogen 2.959 N/A SER 99.A N TYR 7.A O no hydrogen 3.143 N/A SER 99.A OG TYR 113.A O no hydrogen 3.373 N/A GLY 100.A N TYR 113.A O no hydrogen 2.964 N/A CYS 101.A N LEU 5.A O no hydrogen 2.750 N/A GLU 102.A N ARG 111.A O no hydrogen 2.675 N/A VAL 103.A N HIS 3.A O no hydrogen 2.974 N/A GLY 104.A N ARG 108.A O no hydrogen 2.888 N/A ASP 106.A N ASP 106.A OD1 no hydrogen 2.701 N/A GLY 107.A N GLY 104.A O no hydrogen 3.146 N/A ARG 111.A N GLU 102.A O no hydrogen 2.890 N/A TYR 113.A N GLY 100.A O no hydrogen 2.706 N/A TYR 113.A OH GLU 102.A OE1 no hydrogen 2.787 N/A GLN 114.A NE2 TYR 113.A O no hydrogen 3.420 N/A GLN 115.A N ILE 98.A O no hydrogen 3.054 N/A TYR 116.A N ILE 124.A O no hydrogen 2.893 N/A ALA 117.A N GLN 96.A O no hydrogen 2.920 N/A TYR 118.A N CYS 121.A O no hydrogen 2.717 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.825 N/A ASP 119.A N THR 94.A O no hydrogen 2.656 N/A CYS 121.A N TYR 118.A O no hydrogen 3.012 N/A TYR 123.A N TYR 116.A O no hydrogen 3.035 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.859 N/A ALA 125.A N THR 134.A O no hydrogen 3.265 N/A LEU 126.A N GLN 114.A O no hydrogen 3.097 N/A ASN 127.A N THR 132.A O no hydrogen 2.890 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.596 N/A LEU 130.A N ASN 127.A O no hydrogen 3.042 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.846 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.023 N/A THR 132.A OG1 ASN 127.A OD1 no hydrogen 3.261 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.175 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.857 N/A THR 134.A N ALA 125.A O no hydrogen 2.907 N/A ALA 136.A N TYR 123.A O no hydrogen 2.751 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.888 N/A LEU 141.A N MET 138.A O no hydrogen 3.066 N/A ILE 142.A N ALA 139.A O no hydrogen 2.854 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.859 N/A LYS 144.A N ALA 140.A O no hydrogen 2.822 N/A HIS 145.A N LEU 141.A O no hydrogen 2.863 N/A LYS 146.A N ILE 142.A O no hydrogen 3.060 N/A TRP 147.A N THR 143.A O no hydrogen 2.874 N/A GLU 148.A N LYS 144.A O no hydrogen 3.072 N/A GLN 149.A N HIS 145.A O no hydrogen 3.142 N/A ALA 150.A N LYS 146.A O no hydrogen 3.055 N/A GLU 152.A N TRP 147.A O no hydrogen 2.954 N/A GLU 154.A N GLY 151.A O no hydrogen 3.165 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.802 N/A ARG 155.A N GLY 151.A O no hydrogen 3.345 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 2.624 N/A ARG 155.A NE GLU 152.A OE2 no hydrogen 3.433 N/A ARG 155.A NH2 GLU 152.A OE2 no hydrogen 3.191 N/A LEU 156.A N GLU 152.A O no hydrogen 2.947 N/A ARG 157.A N ALA 153.A O no hydrogen 2.867 N/A ARG 157.A NE LEU 130.A O no hydrogen 2.872 N/A ARG 157.A NH2 LEU 130.A O no hydrogen 3.082 N/A ALA 158.A N GLU 154.A O no hydrogen 3.071 N/A TYR 159.A N ARG 155.A O no hydrogen 3.110 N/A LEU 160.A N LEU 156.A O no hydrogen 2.816 N/A GLU 161.A N ARG 157.A O no hydrogen 3.111 N/A GLY 162.A N ALA 158.A O no hydrogen 3.036 N/A GLY 162.A N TYR 159.A O no hydrogen 3.229 N/A CYS 164.A N TYR 159.A O no hydrogen 2.943 N/A VAL 165.A N LEU 160.A O no hydrogen 3.316 N/A GLU 166.A N GLY 162.A O no hydrogen 2.863 N/A TRP 167.A N THR 163.A O no hydrogen 3.043 N/A LEU 168.A N CYS 164.A O no hydrogen 3.036 N/A ARG 169.A N VAL 165.A O no hydrogen 3.372 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.591 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 2.635 N/A TYR 171.A N TRP 167.A O no hydrogen 2.906 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.343 N/A LEU 172.A N LEU 168.A O no hydrogen 2.952 N/A LYS 173.A N ARG 169.A O no hydrogen 3.009 N/A ASN 174.A N ARG 170.A O no hydrogen 3.039 N/A GLY 175.A N TYR 171.A O no hydrogen 2.810 N/A ASN 176.A N LEU 172.A O no hydrogen 2.808 N/A LEU 179.A N GLY 175.A O no hydrogen 2.912 N/A LEU 180.A N ASN 176.A O no hydrogen 3.175 N/A ARG 181.A N THR 178.A O no hydrogen 3.394 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 3.285 N/A ARG 181.A NH2 GLY 239.A O no hydrogen 3.001 N/A ASP 183.A N TYR 209.A O no hydrogen 3.041 N/A LYS 186.A N LEU 206.A O no hydrogen 2.992 N/A LYS 186.A NZ SER 184.A O no hydrogen 3.150 N/A HIS 188.A N TRP 204.A O no hydrogen 2.948 N/A THR 190.A N ARG 202.A O no hydrogen 2.836 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.820 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.540 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 2.651 N/A HIS 192.A N THR 200.A O no hydrogen 3.031 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.820 N/A ARG 194.A N LYS 198.A O no hydrogen 2.959 N/A VAL 199.A N VAL 249.A O no hydrogen 2.978 N/A THR 200.A N HIS 192.A O no hydrogen 2.652 N/A LEU 201.A N VAL 247.A O no hydrogen 2.659 N/A ARG 202.A N THR 190.A O no hydrogen 3.007 N/A ARG 202.A NH1 SER 246.A OG no hydrogen 3.368 N/A CYS 203.A N ALA 245.A O no hydrogen 2.621 N/A TRP 204.A N HIS 188.A O no hydrogen 2.691 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.118 N/A ALA 205.A N LYS 243.A O no hydrogen 2.792 N/A LEU 206.A N LYS 186.A O no hydrogen 2.804 N/A TYR 209.A N ASP 183.A O no hydrogen 2.976 N/A THR 214.A N TYR 262.A O no hydrogen 2.957 N/A THR 216.A N HIS 260.A O no hydrogen 2.967 N/A THR 216.A OG1 GLU 223.A OE2 no hydrogen 3.379 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.967 N/A GLN 218.A N THR 258.A O no hydrogen 2.626 N/A LEU 219.A N GLU 222.A O no hydrogen 3.099 N/A LEU 224.A N TRP 217.A O no hydrogen 3.381 N/A ILE 225.A N GLU 223.A O no hydrogen 2.611 N/A GLN 226.A NE2 ASP 227.A OD2 no hydrogen 2.784 N/A MET 228.A N GLN 226.A O no hydrogen 2.811 N/A GLU 229.A N SER 246.A O no hydrogen 2.883 N/A VAL 231.A N TRP 244.A O no hydrogen 3.275 N/A ARG 234.A N GLN 242.A O no hydrogen 3.080 N/A ALA 236.A N THR 240.A O no hydrogen 2.801 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.054 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.604 N/A PHE 241.A N PHE 208.A O no hydrogen 2.881 N/A GLN 242.A N ARG 234.A O no hydrogen 2.699 N/A LYS 243.A N ALA 205.A O no hydrogen 3.148 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.550 N/A ALA 245.A N CYS 203.A O no hydrogen 2.969 N/A SER 246.A N GLU 229.A O no hydrogen 2.631 N/A VAL 247.A N LEU 201.A O no hydrogen 2.687 N/A VAL 249.A N VAL 199.A O no hydrogen 2.682 N/A LEU 251.A N ASP 197.A O no hydrogen 3.362 N/A LYS 253.A N PRO 250.A O no hydrogen 2.893 N/A LYS 253.A NZ TYR 256.A OH no hydrogen 2.671 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.979 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.563 N/A TYR 256.A N LYS 253.A O no hydrogen 3.316 N/A TYR 257.A N GLU 254.A O no hydrogen 3.181 N/A THR 258.A N GLN 218.A O no hydrogen 2.956 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.378 N/A CYS 259.A N LEU 272.A O no hydrogen 2.631 N/A HIS 260.A N THR 216.A O no hydrogen 2.695 N/A VAL 261.A N LEU 270.A O no hydrogen 3.058 N/A TYR 262.A N THR 214.A O no hydrogen 2.904 N/A HIS 263.A ND1 ASP 212.A O no hydrogen 2.951 N/A LEU 266.A N HIS 263.A O no hydrogen 3.236 N/A LEU 270.A N VAL 261.A O no hydrogen 2.998 N/A LEU 272.A N CYS 259.A O no hydrogen 2.632 N/A