Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 72.A O no hydrogen 2.915 N/A ARG 7.A NH1 GLU 75.A O no hydrogen 3.285 N/A ARG 7.A NH1 PRO 78.A O no hydrogen 2.906 N/A ARG 7.A NH2 PRO 78.A O no hydrogen 2.749 N/A ASP 9.A N LYS 6.A O no hydrogen 2.961 N/A VAL 11.A N GLU 28.A O no hydrogen 2.788 N/A LYS 13.A N LEU 26.A O no hydrogen 2.891 N/A LYS 13.A NZ GLU 28.A OE1 no hydrogen 2.793 N/A TRP 14.A N LEU 26.A O no hydrogen 3.450 N/A LEU 16.A N VAL 24.A O no hydrogen 2.762 N/A GLY 17.A N VAL 24.A O no hydrogen 3.459 N/A GLY 19.A N GLY 22.A O no hydrogen 2.744 N/A LYS 23.A N ALA 42.A O no hydrogen 3.042 N/A LYS 23.A NZ GLU 15.A OE1 no hydrogen 3.455 N/A VAL 24.A N GLY 17.A O no hydrogen 2.903 N/A PHE 25.A N VAL 40.A O no hydrogen 2.873 N/A LEU 26.A N TRP 14.A O no hydrogen 2.780 N/A ALA 27.A N VAL 38.A O no hydrogen 2.996 N/A GLU 28.A N VAL 11.A O no hydrogen 2.813 N/A CYS 29.A N MET 36.A O no hydrogen 2.781 N/A HIS 30.A N ASP 9.A O no hydrogen 3.281 N/A HIS 30.A ND1 ASP 9.A O no hydrogen 3.230 N/A MET 36.A N CYS 29.A O no hydrogen 3.233 N/A VAL 38.A N ALA 27.A O no hydrogen 2.939 N/A ALA 39.A N PHE 83.A O no hydrogen 2.722 N/A VAL 40.A N PHE 25.A O no hydrogen 2.876 N/A LYS 41.A N MET 81.A O no hydrogen 2.794 N/A ALA 42.A N LYS 23.A O no hydrogen 2.784 N/A LEU 43.A N LEU 79.A O no hydrogen 2.855 N/A LYS 44.A N PHE 21.A O no hydrogen 3.055 N/A LYS 44.A NZ GLU 18.A OE2 no hydrogen 3.156 N/A LYS 44.A NZ GLY 19.A O no hydrogen 3.123 N/A LYS 44.A NZ ALA 20.A O no hydrogen 3.528 N/A ALA 47.A N SER 46.A OG no hydrogen 2.767 N/A ARG 48.A NH1 ARG 48.A O no hydrogen 3.452 N/A PHE 51.A N ALA 47.A O no hydrogen 2.900 N/A ARG 53.A N GLN 49.A O no hydrogen 3.100 N/A GLU 54.A N ASP 50.A O no hydrogen 2.878 N/A ALA 55.A N PHE 51.A O no hydrogen 3.003 N/A GLU 56.A N GLN 52.A O no hydrogen 2.904 N/A LEU 57.A N ARG 53.A O no hydrogen 3.123 N/A LEU 58.A N GLU 54.A O no hydrogen 2.907 N/A THR 59.A N ALA 55.A O no hydrogen 3.027 N/A THR 59.A OG1 ALA 55.A O no hydrogen 2.636 N/A MET 60.A N GLU 56.A O no hydrogen 3.242 N/A MET 60.A N LEU 57.A O no hydrogen 2.979 N/A LEU 61.A N LEU 57.A O no hydrogen 2.948 N/A GLN 62.A N TYR 134.A OH no hydrogen 3.033 N/A GLN 62.A NE2 LEU 58.A O no hydrogen 2.831 N/A GLN 62.A NE2 THR 59.A O no hydrogen 3.531 N/A HIS 65.A N HIS 63.A ND1 no hydrogen 2.866 N/A HIS 65.A ND1 VAL 158.A O no hydrogen 2.791 N/A ILE 66.A N HIS 63.A O no hydrogen 3.276 N/A VAL 67.A N ILE 160.A O no hydrogen 3.073 N/A ARG 68.A N GLU 84.A OE2 no hydrogen 2.783 N/A PHE 70.A N VAL 82.A O no hydrogen 2.711 N/A VAL 72.A N HIS 3.A O no hydrogen 2.905 N/A CYS 73.A N LEU 80.A O no hydrogen 3.015 N/A CYS 73.A SG ILE 5.A O no hydrogen 3.596 N/A CYS 73.A SG GLU 75.A O no hydrogen 3.978 N/A THR 74.A OG1 HIS 4.A ND1 no hydrogen 3.142 N/A LEU 80.A N CYS 73.A O no hydrogen 3.257 N/A MET 81.A N LYS 41.A O no hydrogen 2.967 N/A VAL 82.A N GLY 71.A O no hydrogen 2.837 N/A PHE 83.A N ALA 39.A O no hydrogen 2.800 N/A GLU 84.A N ARG 68.A O no hydrogen 2.968 N/A HIS 88.A N VAL 152.A O no hydrogen 2.998 N/A GLY 89.A N MET 86.A O no hydrogen 3.188 N/A LEU 91.A N CYS 150.A O no hydrogen 2.735 N/A ASN 92.A N ASP 90.A OD1 no hydrogen 2.997 N/A ASN 92.A ND2 THR 147.A OG1 no hydrogen 3.187 N/A ASN 92.A ND2 GLU 211.A OE2 no hydrogen 3.533 N/A ASN 92.A ND2 GLY 216.A O no hydrogen 3.049 N/A ARG 93.A N ASP 90.A OD1 no hydrogen 3.208 N/A PHE 94.A N ASP 90.A O no hydrogen 3.243 N/A LEU 95.A N LEU 91.A O no hydrogen 3.053 N/A ARG 96.A N ASN 92.A O no hydrogen 3.046 N/A ARG 96.A NE ASN 92.A OD1 no hydrogen 2.879 N/A SER 97.A N ARG 93.A O no hydrogen 2.803 N/A SER 97.A OG ARG 93.A O no hydrogen 2.802 N/A HIS 98.A N PHE 94.A O no hydrogen 2.936 N/A HIS 98.A N LEU 95.A O no hydrogen 3.172 N/A ALA 102.A N GLY 99.A O no hydrogen 3.172 N/A LEU 105.A N ASP 101.A O no hydrogen 3.096 N/A ALA 106.A N LYS 103.A O no hydrogen 3.403 N/A GLU 109.A N GLU 109.A OE2 no hydrogen 2.761 N/A ASP 110.A N GLY 107.A O no hydrogen 3.337 N/A LEU 116.A N HIS 98.A O no hydrogen 2.970 N/A GLY 117.A N GLN 120.A OE1 no hydrogen 2.799 N/A LEU 121.A N GLY 117.A O no hydrogen 2.907 N/A LEU 122.A N LEU 118.A O no hydrogen 2.847 N/A ALA 123.A N GLY 119.A O no hydrogen 2.827 N/A VAL 124.A N GLN 120.A O no hydrogen 2.950 N/A ALA 125.A N LEU 121.A O no hydrogen 3.132 N/A SER 126.A N LEU 122.A O no hydrogen 2.981 N/A GLN 127.A N ALA 123.A O no hydrogen 3.303 N/A GLN 127.A NE2 ALA 123.A O no hydrogen 2.931 N/A GLN 127.A NE2 LEU 156.A O no hydrogen 3.088 N/A VAL 128.A N VAL 124.A O no hydrogen 3.165 N/A ALA 129.A N ALA 125.A O no hydrogen 3.052 N/A ALA 130.A N SER 126.A O no hydrogen 2.985 N/A GLY 131.A N GLN 127.A O no hydrogen 3.179 N/A MET 132.A N VAL 128.A O no hydrogen 3.055 N/A VAL 133.A N ALA 129.A O no hydrogen 2.796 N/A VAL 133.A N ALA 130.A O no hydrogen 3.217 N/A TYR 134.A N ALA 130.A O no hydrogen 3.167 N/A LEU 135.A N GLY 131.A O no hydrogen 3.248 N/A ALA 136.A N MET 132.A O no hydrogen 3.151 N/A GLY 137.A N VAL 133.A O no hydrogen 3.162 N/A LEU 138.A N TYR 134.A O no hydrogen 3.276 N/A HIS 139.A N ALA 136.A O no hydrogen 2.995 N/A PHE 140.A N LEU 135.A O no hydrogen 2.907 N/A HIS 142.A N ASP 201.A OD2 no hydrogen 2.783 N/A HIS 142.A NE2 GLY 161.A O no hydrogen 2.766 N/A ARG 143.A N ASP 201.A OD1 no hydrogen 3.107 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.072 N/A THR 147.A N GLU 211.A OE1 no hydrogen 2.900 N/A THR 147.A OG1 GLU 211.A OE2 no hydrogen 2.678 N/A ARG 148.A NE TYR 174.A OH no hydrogen 2.916 N/A ARG 148.A NH2 ASP 144.A OD1 no hydrogen 2.939 N/A ASN 149.A N ALA 146.A O no hydrogen 2.831 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.770 N/A CYS 150.A N THR 147.A O no hydrogen 3.093 N/A CYS 150.A SG ALA 146.A O no hydrogen 3.530 N/A LEU 151.A N LYS 159.A O no hydrogen 2.721 N/A VAL 152.A N GLY 89.A O no hydrogen 3.001 N/A GLY 153.A N VAL 157.A O no hydrogen 2.848 N/A VAL 157.A N GLY 153.A O no hydrogen 2.882 N/A VAL 158.A N GLN 127.A OE1 no hydrogen 2.802 N/A LYS 159.A N LEU 151.A O no hydrogen 2.820 N/A LYS 159.A NZ GLU 84.A OE1 no hydrogen 2.939 N/A LYS 159.A NZ GLU 84.A OE2 no hydrogen 2.783 N/A ILE 160.A N HIS 65.A O no hydrogen 2.808 N/A GLY 161.A N ASN 149.A O no hydrogen 3.000 N/A PHE 163.A N ASN 149.A OD1 no hydrogen 2.842 N/A SER 166.A OG ARG 148.A O no hydrogen 2.658 N/A SER 166.A OG ASN 149.A OD1 no hydrogen 3.337 N/A ARG 167.A N GLY 164.A O no hydrogen 3.336 N/A ARG 167.A NH1 ASP 162.A OD2 no hydrogen 2.708 N/A ARG 167.A NH1 PHE 163.A O no hydrogen 2.796 N/A ARG 167.A NH2 ASP 162.A OD2 no hydrogen 2.792 N/A ASP 168.A N MET 165.A O no hydrogen 2.931 N/A ILE 169.A N MET 165.A O no hydrogen 2.790 N/A TYR 170.A N SER 166.A O no hydrogen 3.088 N/A TYR 170.A OH ASP 90.A OD1 no hydrogen 2.775 N/A TYR 170.A OH ASP 90.A OD2 no hydrogen 2.952 N/A SER 171.A N ASP 168.A O no hydrogen 3.199 N/A ASP 173.A N TYR 170.A O no hydrogen 3.017 N/A TYR 174.A N SER 171.A O no hydrogen 3.168 N/A TYR 174.A OH ASP 144.A OD2 no hydrogen 2.562 N/A TYR 175.A N LEU 181.A O no hydrogen 2.831 N/A VAL 177.A N THR 179.A O no hydrogen 3.239 N/A LEU 181.A N TYR 175.A O no hydrogen 2.764 N/A ARG 184.A NE ASN 225.A OD1 no hydrogen 3.362 N/A ARG 184.A NH1 PRO 219.A O no hydrogen 3.284 N/A ARG 184.A NH1 TRP 220.A O no hydrogen 2.769 N/A ARG 184.A NH1 LEU 223.A O no hydrogen 3.140 N/A ARG 184.A NH2 LEU 223.A O no hydrogen 2.860 N/A ARG 184.A NH2 ASN 225.A OD1 no hydrogen 2.876 N/A TRP 185.A N PRO 182.A O no hydrogen 2.944 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.816 N/A MET 186.A N ILE 183.A O no hydrogen 3.253 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 3.159 N/A SER 190.A N PRO 187.A O no hydrogen 3.281 N/A SER 190.A OG LYS 195.A O no hydrogen 2.820 N/A ILE 191.A N PRO 187.A O no hydrogen 3.093 N/A LEU 192.A N PRO 188.A O no hydrogen 2.768 N/A TYR 193.A N GLU 189.A O no hydrogen 2.798 N/A ARG 194.A N SER 190.A O no hydrogen 3.000 N/A THR 197.A N SER 200.A OG no hydrogen 2.810 N/A THR 197.A OG1 GLU 199.A OE1 no hydrogen 3.014 N/A THR 198.A OG1 GLU 199.A OE2 no hydrogen 2.932 N/A SER 200.A N THR 197.A O no hydrogen 3.208 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.297 N/A SER 200.A OG THR 197.A O no hydrogen 2.853 N/A ASP 201.A N THR 197.A O no hydrogen 3.237 N/A VAL 202.A N THR 198.A O no hydrogen 2.953 N/A TRP 203.A N GLU 199.A O no hydrogen 3.346 N/A SER 204.A N SER 200.A O no hydrogen 2.922 N/A SER 204.A OG TRP 185.A O no hydrogen 2.763 N/A SER 204.A OG SER 200.A O no hydrogen 3.435 N/A PHE 205.A N ASP 201.A O no hydrogen 2.746 N/A GLY 206.A N VAL 202.A O no hydrogen 3.057 N/A VAL 207.A N TRP 203.A O no hydrogen 3.167 N/A VAL 208.A N SER 204.A O no hydrogen 2.808 N/A LEU 209.A N PHE 205.A O no hydrogen 2.908 N/A TRP 210.A N GLY 206.A O no hydrogen 3.135 N/A TRP 210.A NE1 GLU 239.A O no hydrogen 2.833 N/A GLU 211.A N VAL 207.A O no hydrogen 2.948 N/A ILE 212.A N VAL 208.A O no hydrogen 2.980 N/A PHE 213.A N LEU 209.A O no hydrogen 3.024 N/A THR 214.A OG1 TRP 210.A O no hydrogen 3.004 N/A THR 214.A OG1 GLU 211.A O no hydrogen 3.343 N/A TYR 215.A N ILE 212.A O no hydrogen 3.309 N/A TYR 215.A OH LEU 116.A O no hydrogen 2.792 N/A GLY 216.A N GLU 211.A O no hydrogen 2.758 N/A GLN 218.A NE2 ASP 173.A OD1 no hydrogen 3.414 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.935 N/A LEU 223.A N TRP 220.A O no hydrogen 2.781 N/A SER 224.A N GLU 227.A OE1 no hydrogen 2.778 N/A SER 224.A OG GLU 227.A OE1 no hydrogen 3.182 N/A GLU 227.A N SER 224.A OG no hydrogen 3.307 N/A ALA 228.A N SER 224.A O no hydrogen 2.951 N/A ILE 229.A N ASN 225.A O no hydrogen 3.066 N/A ASP 230.A N THR 226.A O no hydrogen 3.226 N/A CYS 231.A N GLU 227.A O no hydrogen 3.058 N/A CYS 231.A SG GLU 227.A O no hydrogen 3.547 N/A ILE 232.A N ALA 228.A O no hydrogen 2.910 N/A THR 233.A N ILE 229.A O no hydrogen 2.985 N/A THR 233.A OG1 ILE 229.A O no hydrogen 2.842 N/A THR 233.A OG1 ASP 230.A O no hydrogen 3.171 N/A GLN 234.A N ASP 230.A O no hydrogen 2.863 N/A GLY 235.A N CYS 231.A O no hydrogen 3.103 N/A GLY 235.A N ILE 232.A O no hydrogen 3.287 N/A ARG 236.A N CYS 231.A O no hydrogen 2.928 N/A ARG 240.A NH1 PRO 241.A O no hydrogen 3.510 N/A CYS 244.A N PRO 241.A O no hydrogen 2.901 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.275 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.829 N/A VAL 248.A N PRO 245.A O no hydrogen 3.118 N/A TYR 249.A N PRO 245.A O no hydrogen 3.318 N/A TYR 249.A OH GLU 237.A OE2 no hydrogen 3.209 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.611 N/A ALA 250.A N PRO 246.A O no hydrogen 3.028 N/A ILE 251.A N GLU 247.A O no hydrogen 3.377 N/A MET 252.A N VAL 248.A O no hydrogen 3.110 N/A ARG 253.A N TYR 249.A O no hydrogen 2.941 N/A ARG 253.A NE GLU 237.A OE1 no hydrogen 3.450 N/A ARG 253.A NE GLU 237.A OE2 no hydrogen 2.928 N/A ARG 253.A NH2 GLU 237.A OE2 no hydrogen 2.695 N/A GLY 254.A N ALA 250.A O no hydrogen 3.054 N/A GLY 254.A N ILE 251.A O no hydrogen 3.049 N/A CYS 255.A N ILE 251.A O no hydrogen 3.195 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.282 N/A GLN 257.A NE2 ARG 253.A O no hydrogen 2.803 N/A ARG 258.A NH1 THR 233.A O no hydrogen 2.828 N/A ARG 258.A NH2 THR 233.A O no hydrogen 2.780 N/A GLN 261.A N GLN 261.A OE1 no hydrogen 3.070 N/A GLN 262.A N GLU 259.A O no hydrogen 2.967 N/A ARG 263.A N PRO 260.A O no hydrogen 3.370 N/A ARG 263.A NE GLN 257.A O no hydrogen 2.709 N/A ARG 263.A NH1 GLU 189.A OE1 no hydrogen 3.555 N/A ARG 263.A NH1 GLU 189.A OE2 no hydrogen 2.974 N/A ARG 263.A NH1 GLU 199.A O no hydrogen 3.184 N/A ARG 263.A NH2 GLU 189.A OE1 no hydrogen 2.962 N/A ARG 263.A NH2 GLN 257.A O no hydrogen 3.379 N/A ARG 263.A NH2 ARG 258.A O no hydrogen 2.976 N/A HIS 264.A N GLY 254.A O no hydrogen 3.062 N/A ASP 268.A N SER 265.A OG no hydrogen 3.252 N/A VAL 269.A N SER 265.A O no hydrogen 3.121 N/A HIS 270.A N ILE 266.A O no hydrogen 2.795 N/A ALA 271.A N LYS 267.A O no hydrogen 2.934 N/A ARG 272.A N ASP 268.A O no hydrogen 3.026 N/A LEU 273.A N VAL 269.A O no hydrogen 2.975 N/A GLN 274.A N HIS 270.A O no hydrogen 2.818 N/A ALA 275.A N ALA 271.A O no hydrogen 2.819 N/A LEU 276.A N ARG 272.A O no hydrogen 2.915 N/A ALA 277.A N LEU 273.A O no hydrogen 2.917 N/A GLN 278.A N GLN 274.A O no hydrogen 2.883 N/A ALA 279.A N ALA 275.A O no hydrogen 3.123 N/A ALA 279.A N LEU 276.A O no hydrogen 3.078 N/A HIS 280.A N ALA 277.A O no hydrogen 3.298 N/A HIS 281.A ND1 GLN 278.A OE1 no hydrogen 3.136 N/A HIS 283.A N HIS 280.A O no hydrogen 3.304 N/A