Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pmt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 65.A O no hydrogen 2.799 N/A ARG 7.A N GLU 68.A OE1 no hydrogen 3.242 N/A ARG 7.A NE GLU 68.A O no hydrogen 2.825 N/A ARG 7.A NH1 PRO 71.A O no hydrogen 3.278 N/A ARG 7.A NH2 PRO 71.A O no hydrogen 2.784 N/A ARG 8.A NE ASP 9.A OD1 no hydrogen 3.450 N/A ASP 9.A N LYS 6.A O no hydrogen 2.945 N/A ILE 10.A N ARG 7.A O no hydrogen 2.954 N/A VAL 11.A N GLU 28.A O no hydrogen 2.957 N/A LYS 13.A N LEU 26.A O no hydrogen 2.841 N/A LYS 13.A NZ GLU 28.A OE2 no hydrogen 3.446 N/A TRP 14.A N LEU 26.A O no hydrogen 3.434 N/A LEU 16.A N VAL 24.A O no hydrogen 2.819 N/A GLY 17.A N VAL 24.A O no hydrogen 3.397 N/A GLY 19.A N GLY 22.A O no hydrogen 3.040 N/A LYS 23.A N ALA 41.A O no hydrogen 3.054 N/A VAL 24.A N GLY 17.A O no hydrogen 2.945 N/A PHE 25.A N VAL 39.A O no hydrogen 2.941 N/A LEU 26.A N TRP 14.A O no hydrogen 2.819 N/A ALA 27.A N VAL 37.A O no hydrogen 2.822 N/A GLU 28.A N VAL 11.A O no hydrogen 2.968 N/A CYS 29.A N MET 35.A O no hydrogen 2.774 N/A CYS 29.A SG ASP 9.A O no hydrogen 3.783 N/A HIS 30.A N ASP 9.A O no hydrogen 2.823 N/A MET 35.A N CYS 29.A O no hydrogen 2.912 N/A VAL 37.A N ALA 27.A O no hydrogen 2.862 N/A ALA 38.A N PHE 76.A O no hydrogen 2.928 N/A VAL 39.A N PHE 25.A O no hydrogen 2.909 N/A LYS 40.A N MET 74.A O no hydrogen 2.797 N/A LYS 40.A NZ ASP 155.A OD1 no hydrogen 2.791 N/A ALA 41.A N LYS 23.A O no hydrogen 2.978 N/A LEU 42.A N LEU 72.A O no hydrogen 2.926 N/A ARG 46.A N ASP 43.A OD2 no hydrogen 3.439 N/A ALA 48.A N PHE 44.A O no hydrogen 3.040 N/A GLU 49.A N GLN 45.A O no hydrogen 2.983 N/A LEU 50.A N ARG 46.A O no hydrogen 3.128 N/A LEU 51.A N GLU 47.A O no hydrogen 3.192 N/A THR 52.A N ALA 48.A O no hydrogen 3.030 N/A THR 52.A OG1 ALA 48.A O no hydrogen 2.641 N/A MET 53.A N GLU 49.A O no hydrogen 3.001 N/A LEU 54.A N LEU 50.A O no hydrogen 3.022 N/A GLN 55.A N TYR 127.A OH no hydrogen 3.094 N/A HIS 58.A N HIS 56.A ND1 no hydrogen 2.963 N/A HIS 58.A ND1 VAL 151.A O no hydrogen 2.813 N/A ILE 59.A N HIS 56.A O no hydrogen 3.248 N/A VAL 60.A N ILE 153.A O no hydrogen 2.874 N/A ARG 61.A N GLU 77.A OE2 no hydrogen 2.839 N/A PHE 63.A N VAL 75.A O no hydrogen 2.810 N/A VAL 65.A N HIS 3.A O no hydrogen 2.981 N/A CYS 66.A N LEU 73.A O no hydrogen 3.162 N/A CYS 66.A SG ILE 5.A O no hydrogen 3.668 N/A THR 67.A OG1 HIS 4.A ND1 no hydrogen 3.059 N/A GLY 69.A N THR 67.A O no hydrogen 2.896 N/A LEU 73.A N CYS 66.A O no hydrogen 3.166 N/A MET 74.A N LYS 40.A O no hydrogen 2.814 N/A VAL 75.A N GLY 64.A O no hydrogen 2.805 N/A PHE 76.A N ALA 38.A O no hydrogen 2.833 N/A GLU 77.A N ARG 61.A O no hydrogen 3.033 N/A HIS 81.A N VAL 145.A O no hydrogen 2.842 N/A GLY 82.A N MET 79.A O no hydrogen 3.120 N/A LEU 84.A N CYS 143.A O no hydrogen 2.892 N/A ASN 85.A ND2 THR 140.A OG1 no hydrogen 3.131 N/A ASN 85.A ND2 GLU 201.A OE2 no hydrogen 3.520 N/A ASN 85.A ND2 GLY 206.A O no hydrogen 3.082 N/A ARG 86.A N ASP 83.A OD1 no hydrogen 3.096 N/A PHE 87.A N ASP 83.A O no hydrogen 3.028 N/A LEU 88.A N LEU 84.A O no hydrogen 2.874 N/A ARG 89.A N ASN 85.A O no hydrogen 3.134 N/A ARG 89.A NE ASN 85.A OD1 no hydrogen 2.924 N/A SER 90.A N ARG 86.A O no hydrogen 2.947 N/A SER 90.A OG ARG 86.A O no hydrogen 2.837 N/A SER 90.A OG PHE 87.A O no hydrogen 3.411 N/A HIS 91.A N LEU 88.A O no hydrogen 3.305 N/A ALA 95.A N GLY 92.A O no hydrogen 3.090 N/A ALA 99.A N ALA 95.A O no hydrogen 2.984 N/A ALA 99.A N LYS 96.A O no hydrogen 3.338 N/A GLY 100.A N ASP 103.A OD2 no hydrogen 3.036 N/A LEU 109.A N HIS 91.A O no hydrogen 2.923 N/A GLY 110.A N GLN 113.A OE1 no hydrogen 2.881 N/A LEU 114.A N GLY 110.A O no hydrogen 3.080 N/A LEU 115.A N LEU 111.A O no hydrogen 2.995 N/A ALA 116.A N GLY 112.A O no hydrogen 3.060 N/A VAL 117.A N GLN 113.A O no hydrogen 2.936 N/A ALA 118.A N LEU 114.A O no hydrogen 2.996 N/A SER 119.A N LEU 115.A O no hydrogen 2.819 N/A GLN 120.A N ALA 116.A O no hydrogen 3.196 N/A GLN 120.A NE2 ALA 116.A O no hydrogen 2.962 N/A GLN 120.A NE2 LEU 149.A O no hydrogen 2.930 N/A VAL 121.A N VAL 117.A O no hydrogen 3.250 N/A ALA 122.A N ALA 118.A O no hydrogen 3.094 N/A ALA 123.A N SER 119.A O no hydrogen 2.954 N/A GLY 124.A N GLN 120.A O no hydrogen 3.198 N/A MET 125.A N VAL 121.A O no hydrogen 3.014 N/A VAL 126.A N ALA 122.A O no hydrogen 2.788 N/A TYR 127.A N ALA 123.A O no hydrogen 3.224 N/A LEU 128.A N GLY 124.A O no hydrogen 3.088 N/A ALA 129.A N MET 125.A O no hydrogen 2.968 N/A GLY 130.A N VAL 126.A O no hydrogen 3.154 N/A LEU 131.A N LEU 128.A O no hydrogen 3.159 N/A HIS 132.A N ALA 129.A O no hydrogen 3.147 N/A PHE 133.A N LEU 128.A O no hydrogen 2.959 N/A HIS 135.A N ASP 191.A OD2 no hydrogen 2.734 N/A HIS 135.A NE2 ASP 155.A O no hydrogen 2.690 N/A ARG 136.A N ASP 191.A OD1 no hydrogen 3.077 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.017 N/A THR 140.A N GLU 201.A OE1 no hydrogen 3.093 N/A THR 140.A OG1 GLU 201.A OE2 no hydrogen 2.713 N/A ARG 141.A NE TYR 165.A OH no hydrogen 2.934 N/A ARG 141.A NH2 ASP 137.A OD1 no hydrogen 2.882 N/A ARG 141.A NH2 TYR 165.A OH no hydrogen 3.354 N/A ASN 142.A N ALA 139.A O no hydrogen 2.903 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.748 N/A ASN 142.A ND2 ASP 137.A OD2 no hydrogen 3.000 N/A CYS 143.A N THR 140.A O no hydrogen 3.070 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.738 N/A LEU 144.A N LYS 152.A O no hydrogen 2.796 N/A VAL 145.A N GLY 82.A O no hydrogen 2.808 N/A GLY 146.A N VAL 150.A O no hydrogen 2.776 N/A VAL 150.A N GLY 146.A O no hydrogen 3.340 N/A VAL 151.A N GLN 120.A OE1 no hydrogen 2.821 N/A LYS 152.A N LEU 144.A O no hydrogen 2.986 N/A LYS 152.A NZ GLU 77.A OE1 no hydrogen 3.392 N/A LYS 152.A NZ GLU 77.A OE2 no hydrogen 2.732 N/A ILE 153.A N HIS 58.A O no hydrogen 2.879 N/A GLY 154.A N ASN 142.A O no hydrogen 2.946 N/A ASP 155.A N ASN 142.A O no hydrogen 3.301 N/A ARG 158.A NH2 ASP 155.A OD2 no hydrogen 2.982 N/A ILE 160.A N ASP 164.A OD2 no hydrogen 3.277 N/A ASP 164.A N TYR 161.A O no hydrogen 3.253 N/A TYR 165.A OH ASP 137.A OD2 no hydrogen 2.574 N/A TYR 166.A N LEU 171.A O no hydrogen 2.807 N/A VAL 168.A N THR 169.A O no hydrogen 3.299 N/A LEU 171.A N TYR 166.A O no hydrogen 2.798 N/A ILE 173.A N LEU 171.A O no hydrogen 2.864 N/A ARG 174.A NE THR 163.A O no hydrogen 3.106 N/A ARG 174.A NE ASN 215.A OD1 no hydrogen 2.969 N/A ARG 174.A NH1 PRO 209.A O no hydrogen 3.145 N/A ARG 174.A NH1 TRP 210.A O no hydrogen 2.743 N/A ARG 174.A NH1 LEU 213.A O no hydrogen 3.199 N/A ARG 174.A NH2 LEU 213.A O no hydrogen 2.838 N/A TRP 175.A N PRO 172.A O no hydrogen 2.956 N/A TRP 175.A NE1 GLU 201.A OE1 no hydrogen 2.849 N/A MET 176.A N ILE 173.A O no hydrogen 3.071 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.885 N/A SER 180.A N PRO 177.A O no hydrogen 3.206 N/A SER 180.A OG LYS 185.A O no hydrogen 2.709 N/A ILE 181.A N PRO 177.A O no hydrogen 3.247 N/A LEU 182.A N PRO 178.A O no hydrogen 2.933 N/A TYR 183.A N GLU 179.A O no hydrogen 2.979 N/A ARG 184.A N SER 180.A O no hydrogen 2.939 N/A LYS 185.A N GLU 179.A O no hydrogen 3.449 N/A THR 187.A N SER 190.A OG no hydrogen 2.741 N/A THR 187.A OG1 GLU 189.A OE1 no hydrogen 3.262 N/A THR 188.A OG1 GLU 189.A OE1 no hydrogen 3.535 N/A THR 188.A OG1 GLU 189.A OE2 no hydrogen 3.145 N/A GLU 189.A N THR 187.A OG1 no hydrogen 3.192 N/A SER 190.A N THR 187.A O no hydrogen 3.074 N/A SER 190.A N THR 187.A OG1 no hydrogen 3.220 N/A SER 190.A OG THR 187.A O no hydrogen 2.693 N/A ASP 191.A N THR 187.A O no hydrogen 3.114 N/A VAL 192.A N THR 188.A O no hydrogen 3.016 N/A TRP 193.A N GLU 189.A O no hydrogen 3.305 N/A SER 194.A N SER 190.A O no hydrogen 3.115 N/A SER 194.A OG TRP 175.A O no hydrogen 2.845 N/A SER 194.A OG SER 190.A O no hydrogen 3.201 N/A PHE 195.A N ASP 191.A O no hydrogen 2.869 N/A GLY 196.A N VAL 192.A O no hydrogen 3.003 N/A VAL 197.A N TRP 193.A O no hydrogen 3.118 N/A VAL 198.A N SER 194.A O no hydrogen 2.835 N/A LEU 199.A N PHE 195.A O no hydrogen 2.905 N/A TRP 200.A N GLY 196.A O no hydrogen 3.170 N/A TRP 200.A NE1 GLU 229.A O no hydrogen 2.843 N/A GLU 201.A N VAL 197.A O no hydrogen 2.911 N/A ILE 202.A N VAL 198.A O no hydrogen 2.806 N/A PHE 203.A N LEU 199.A O no hydrogen 2.997 N/A THR 204.A N TRP 200.A O no hydrogen 3.045 N/A THR 204.A N GLU 201.A O no hydrogen 3.393 N/A THR 204.A OG1 TRP 200.A O no hydrogen 2.933 N/A THR 204.A OG1 GLU 201.A O no hydrogen 3.176 N/A TYR 205.A N ILE 202.A O no hydrogen 3.101 N/A TYR 205.A OH LEU 109.A O no hydrogen 2.864 N/A GLY 206.A N GLU 201.A O no hydrogen 2.705 N/A LYS 207.A N THR 204.A OG1 no hydrogen 3.113 N/A LYS 207.A NZ TYR 211.A OH no hydrogen 3.561 N/A GLN 208.A NE2 THR 163.A OG1 no hydrogen 2.910 N/A GLN 208.A NE2 ASP 164.A OD1 no hydrogen 2.862 N/A TYR 211.A N GLN 208.A O no hydrogen 3.202 N/A GLN 212.A N GLN 212.A OE1 no hydrogen 2.913 N/A LEU 213.A N TRP 210.A O no hydrogen 2.808 N/A SER 214.A N GLU 217.A OE1 no hydrogen 2.985 N/A SER 214.A OG GLU 217.A OE1 no hydrogen 3.210 N/A ASN 215.A ND2 THR 163.A O no hydrogen 2.807 N/A GLU 217.A N SER 214.A OG no hydrogen 3.416 N/A ALA 218.A N SER 214.A O no hydrogen 2.876 N/A ILE 219.A N ASN 215.A O no hydrogen 2.889 N/A ASP 220.A N THR 216.A O no hydrogen 3.188 N/A CYS 221.A N GLU 217.A O no hydrogen 2.892 N/A CYS 221.A SG GLU 217.A O no hydrogen 3.525 N/A ILE 222.A N ALA 218.A O no hydrogen 2.837 N/A THR 223.A N ILE 219.A O no hydrogen 2.983 N/A THR 223.A OG1 ILE 219.A O no hydrogen 2.928 N/A THR 223.A OG1 ASP 220.A O no hydrogen 3.408 N/A GLN 224.A N ASP 220.A O no hydrogen 3.059 N/A GLY 225.A N ILE 222.A O no hydrogen 3.007 N/A ARG 226.A N CYS 221.A O no hydrogen 2.968 N/A ARG 230.A NH1 CYS 234.A O no hydrogen 2.876 N/A CYS 234.A N PRO 231.A O no hydrogen 2.917 N/A CYS 234.A SG PRO 235.A O no hydrogen 3.421 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.844 N/A VAL 238.A N PRO 235.A O no hydrogen 2.964 N/A TYR 239.A N PRO 235.A O no hydrogen 3.275 N/A TYR 239.A OH LEU 228.A O no hydrogen 2.718 N/A ALA 240.A N PRO 236.A O no hydrogen 2.993 N/A ILE 241.A N GLU 237.A O no hydrogen 3.364 N/A MET 242.A N VAL 238.A O no hydrogen 3.038 N/A ARG 243.A N TYR 239.A O no hydrogen 2.954 N/A ARG 243.A NE GLU 227.A OE1 no hydrogen 2.779 N/A ARG 243.A NH2 GLU 227.A OE1 no hydrogen 3.526 N/A ARG 243.A NH2 GLU 227.A OE2 no hydrogen 2.869 N/A GLY 244.A N ALA 240.A O no hydrogen 3.012 N/A CYS 245.A N ILE 241.A O no hydrogen 3.203 N/A CYS 245.A N MET 242.A O no hydrogen 2.949 N/A CYS 245.A SG ILE 241.A O no hydrogen 3.464 N/A TRP 246.A N MET 242.A O no hydrogen 3.120 N/A TRP 246.A N ARG 243.A O no hydrogen 3.183 N/A GLN 247.A NE2 ARG 243.A O no hydrogen 2.865 N/A ARG 248.A NH1 THR 223.A O no hydrogen 3.007 N/A ARG 248.A NH2 THR 223.A O no hydrogen 2.750 N/A GLN 251.A N GLN 251.A OE1 no hydrogen 2.837 N/A GLN 252.A N GLU 249.A O no hydrogen 2.979 N/A ARG 253.A N PRO 250.A O no hydrogen 3.273 N/A ARG 253.A NE GLN 247.A O no hydrogen 2.754 N/A ARG 253.A NH1 GLU 179.A OE2 no hydrogen 2.766 N/A ARG 253.A NH1 GLU 189.A O no hydrogen 3.049 N/A ARG 253.A NH2 GLU 179.A OE1 no hydrogen 2.884 N/A ARG 253.A NH2 GLU 179.A OE2 no hydrogen 3.449 N/A ARG 253.A NH2 GLN 247.A O no hydrogen 3.478 N/A ARG 253.A NH2 ARG 248.A O no hydrogen 3.005 N/A HIS 254.A N GLY 244.A O no hydrogen 3.082 N/A ASP 258.A N SER 255.A OG no hydrogen 3.219 N/A VAL 259.A N SER 255.A O no hydrogen 3.055 N/A HIS 260.A N ILE 256.A O no hydrogen 2.811 N/A ALA 261.A N LYS 257.A O no hydrogen 3.008 N/A ARG 262.A N ASP 258.A O no hydrogen 2.916 N/A LEU 263.A N VAL 259.A O no hydrogen 2.958 N/A GLN 264.A N HIS 260.A O no hydrogen 2.874 N/A ALA 265.A N ALA 261.A O no hydrogen 2.976 N/A LEU 266.A N ARG 262.A O no hydrogen 3.050 N/A ALA 267.A N LEU 263.A O no hydrogen 2.879 N/A GLN 268.A N GLN 264.A O no hydrogen 2.948 N/A ALA 269.A N ALA 265.A O no hydrogen 3.036 N/A HIS 270.A N LEU 266.A O no hydrogen 3.230 N/A HIS 270.A N ALA 267.A O no hydrogen 3.299 N/A HIS 273.A N HIS 270.A O no hydrogen 2.913 N/A