Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N LEU 51.A O no hydrogen 2.958 N/A PHE 6.A N LYS 53.A O no hydrogen 2.893 N/A ALA 8.A N GLN 55.A O no hydrogen 2.992 N/A GLY 9.A N ASP 7.A OD2 no hydrogen 3.013 N/A ASN 10.A N ASP 7.A OD2 no hydrogen 3.337 N/A LYS 15.A N THR 12.A OG1 no hydrogen 3.151 N/A TYR 16.A N THR 12.A O no hydrogen 3.049 N/A TYR 16.A OH MET 172.A O no hydrogen 2.850 N/A ALA 17.A N ILE 13.A O no hydrogen 2.897 N/A THR 18.A N ASN 14.A O no hydrogen 3.000 N/A THR 18.A OG1 ASN 14.A O no hydrogen 3.128 N/A PHE 19.A N LYS 15.A O no hydrogen 3.041 N/A MET 20.A N TYR 16.A O no hydrogen 2.965 N/A GLU 21.A N ALA 17.A O no hydrogen 3.154 N/A SER 22.A N THR 18.A O no hydrogen 2.881 N/A SER 22.A OG THR 18.A O no hydrogen 2.859 N/A LEU 23.A N PHE 19.A O no hydrogen 2.931 N/A ARG 24.A N MET 20.A O no hydrogen 2.885 N/A ARG 24.A NE ALA 177.A O no hydrogen 2.813 N/A ARG 24.A NH1 GLU 183.A OE1 no hydrogen 2.918 N/A ARG 24.A NH2 ALA 176.A O no hydrogen 2.820 N/A ARG 24.A NH2 GLU 183.A OE1 no hydrogen 2.735 N/A ASN 25.A N GLU 21.A O no hydrogen 2.988 N/A GLU 26.A N SER 22.A O no hydrogen 3.083 N/A ALA 27.A N LEU 23.A O no hydrogen 2.984 N/A LYS 28.A N ARG 24.A O no hydrogen 3.015 N/A LYS 28.A NZ ASN 25.A OD1 no hydrogen 3.123 N/A ASP 29.A N MET 39.A O no hydrogen 2.791 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.863 N/A LEU 32.A N ASP 29.A OD1 no hydrogen 3.134 N/A CYS 34.A N ILE 37.A O no hydrogen 3.188 N/A CYS 34.A SG HIS 215.A ND1 no hydrogen 3.485 N/A TYR 35.A N GLN 259.A O no hydrogen 2.926 N/A TYR 35.A OH SER 217.A O no hydrogen 2.841 N/A GLY 36.A N ALA 260.A O no hydrogen 2.972 N/A ILE 37.A N CYS 34.A O no hydrogen 2.951 N/A MET 39.A N LEU 32.A O no hydrogen 3.167 N/A LEU 40.A N LEU 251.A O no hydrogen 3.031 N/A SER 45.A OG ILE 47.A O no hydrogen 2.936 N/A LYS 48.A NZ SER 45.A O no hydrogen 2.944 N/A TYR 49.A OH ASP 99.A OD1 no hydrogen 3.062 N/A LEU 50.A N LEU 66.A O no hydrogen 3.023 N/A VAL 52.A N LEU 64.A O no hydrogen 3.010 N/A LYS 53.A N ILE 4.A O no hydrogen 2.772 N/A LEU 54.A N ILE 62.A O no hydrogen 2.876 N/A GLN 55.A N PHE 6.A O no hydrogen 2.965 N/A GLY 56.A N LYS 60.A O no hydrogen 2.916 N/A ALA 57.A N SER 145.A OG no hydrogen 3.020 N/A LEU 59.A N GLY 56.A O no hydrogen 3.112 N/A LYS 60.A N SER 58.A OG no hydrogen 3.425 N/A LYS 60.A NZ GLY 149.A O no hydrogen 3.082 N/A LYS 60.A NZ SER 152.A O no hydrogen 2.752 N/A ILE 62.A N LEU 54.A O no hydrogen 3.067 N/A THR 63.A N SER 77.A O no hydrogen 2.930 N/A LEU 64.A N VAL 52.A O no hydrogen 2.822 N/A MET 65.A N GLY 75.A O no hydrogen 3.078 N/A LEU 66.A N LEU 50.A O no hydrogen 2.899 N/A ARG 67.A N TYR 72.A O no hydrogen 2.939 N/A ARG 67.A NH1 GLU 96.A OE1 no hydrogen 3.313 N/A ARG 68.A N LYS 48.A O no hydrogen 2.842 N/A ARG 68.A NE GLU 26.A O no hydrogen 3.240 N/A ARG 68.A NE ALA 27.A O no hydrogen 2.950 N/A ARG 68.A NH1 ILE 47.A O no hydrogen 3.162 N/A ARG 68.A NH2 ALA 27.A O no hydrogen 3.541 N/A ARG 68.A NH2 LYS 28.A O no hydrogen 2.899 N/A ASN 69.A ND2 PRO 41.A O no hydrogen 3.139 N/A ASN 70.A N ARG 67.A O no hydrogen 3.369 N/A LEU 71.A N ARG 67.A O no hydrogen 2.731 N/A TYR 72.A N ASN 70.A OD1 no hydrogen 3.119 N/A MET 74.A N MET 65.A O no hydrogen 2.901 N/A TYR 76.A N HIS 87.A O no hydrogen 2.975 N/A TYR 76.A OH GLU 162.A OE2 no hydrogen 2.578 N/A SER 77.A N THR 63.A O no hydrogen 2.812 N/A ASP 78.A N ARG 85.A O no hydrogen 3.171 N/A TYR 80.A N LYS 83.A O no hydrogen 2.868 N/A LYS 83.A N TYR 80.A O no hydrogen 2.912 N/A LYS 83.A NZ ASP 81.A O no hydrogen 3.554 N/A CYS 84.A N PRO 110.A O no hydrogen 3.054 N/A CYS 84.A SG LEU 104.A O no hydrogen 3.517 N/A ARG 85.A N ASP 78.A O no hydrogen 3.038 N/A ARG 85.A NE ASP 78.A OD1 no hydrogen 3.359 N/A ARG 85.A NE ASP 78.A OD2 no hydrogen 3.014 N/A ARG 85.A NH1 GLN 154.A O no hydrogen 2.824 N/A ARG 85.A NH2 ASP 78.A OD1 no hydrogen 2.739 N/A ARG 85.A NH2 GLN 154.A O no hydrogen 2.784 N/A TYR 86.A N VAL 112.A O no hydrogen 3.011 N/A HIS 87.A N TYR 76.A O no hydrogen 2.846 N/A HIS 87.A NE2 ASP 78.A OD2 no hydrogen 2.771 N/A PHE 89.A N MET 74.A O no hydrogen 3.450 N/A ASN 90.A N TYR 118.A O no hydrogen 3.181 N/A ILE 92.A N PHE 89.A O no hydrogen 3.196 N/A LYS 93.A NZ ASN 90.A O no hydrogen 3.334 N/A SER 98.A N GLY 94.A O no hydrogen 3.391 N/A ASP 99.A N THR 95.A O no hydrogen 3.046 N/A VAL 100.A N GLU 96.A O no hydrogen 2.808 N/A GLU 101.A N TYR 97.A O no hydrogen 2.817 N/A ASN 102.A N SER 98.A O no hydrogen 3.133 N/A THR 103.A N ASP 99.A O no hydrogen 2.970 N/A THR 103.A N VAL 100.A O no hydrogen 3.127 N/A THR 103.A OG1 ASP 99.A O no hydrogen 2.649 N/A LEU 104.A N VAL 100.A O no hydrogen 2.961 N/A CYS 105.A N GLU 101.A O no hydrogen 3.039 N/A SER 108.A OG ASN 109.A OD1 no hydrogen 3.361 N/A ASN 109.A N PRO 106.A O no hydrogen 3.158 N/A ARG 111.A NH1 CYS 105.A O no hydrogen 2.694 N/A VAL 112.A N CYS 84.A O no hydrogen 3.180 N/A LYS 114.A N TYR 86.A O no hydrogen 2.923 N/A ILE 116.A N ILE 88.A O no hydrogen 3.050 N/A TYR 118.A OH GLU 162.A OE1 no hydrogen 2.778 N/A TYR 122.A OH GLU 175.A OE2 no hydrogen 2.807 N/A LEU 125.A N LEU 121.A O no hydrogen 3.061 N/A GLU 126.A N TYR 122.A O no hydrogen 3.007 N/A LYS 127.A N PRO 123.A O no hydrogen 3.200 N/A LYS 128.A N THR 124.A O no hydrogen 3.072 N/A LYS 128.A NZ GLU 159.A OE2 no hydrogen 2.974 N/A ALA 129.A N LEU 125.A O no hydrogen 2.890 N/A GLY 130.A N LYS 127.A O no hydrogen 2.942 N/A VAL 131.A N GLU 126.A O no hydrogen 2.963 N/A SER 133.A N GLU 136.A OE1 no hydrogen 3.031 N/A SER 133.A OG ASN 135.A OD1 no hydrogen 3.229 N/A ARG 134.A N GLU 126.A OE2 no hydrogen 2.987 N/A ARG 134.A NE GLU 204.A OE1 no hydrogen 2.955 N/A ARG 134.A NH1 GLU 126.A OE2 no hydrogen 2.820 N/A ARG 134.A NH1 GLU 205.A OE2 no hydrogen 3.472 N/A ARG 134.A NH2 GLU 204.A OE1 no hydrogen 2.958 N/A ARG 134.A NH2 GLU 205.A OE2 no hydrogen 2.786 N/A ASN 135.A N SER 133.A OG no hydrogen 3.409 N/A GLU 136.A N SER 133.A O no hydrogen 2.994 N/A VAL 137.A N ARG 134.A O no hydrogen 2.884 N/A GLN 138.A NE2 SER 195.A OG no hydrogen 3.328 N/A LEU 139.A N PHE 194.A O no hydrogen 2.814 N/A LEU 144.A N GLY 140.A O no hydrogen 2.929 N/A SER 145.A N ILE 141.A O no hydrogen 3.102 N/A SER 146.A N GLN 142.A O no hydrogen 2.846 N/A SER 146.A OG GLN 142.A O no hydrogen 3.347 N/A ASP 147.A N ILE 143.A O no hydrogen 2.934 N/A ILE 148.A N LEU 144.A O no hydrogen 3.106 N/A GLY 149.A N SER 145.A O no hydrogen 3.415 N/A LYS 150.A N SER 146.A O no hydrogen 3.220 N/A LYS 150.A N ASP 147.A O no hydrogen 3.200 N/A ILE 151.A N ILE 148.A O no hydrogen 3.217 N/A SER 152.A N ILE 148.A O no hydrogen 2.922 N/A SER 152.A OG THR 61.A O no hydrogen 2.685 N/A GLY 153.A N ASP 78.A OD1 no hydrogen 2.998 N/A GLN 154.A N ILE 151.A O no hydrogen 3.124 N/A GLU 162.A N THR 158.A O no hydrogen 3.171 N/A ALA 163.A N GLU 159.A O no hydrogen 2.945 N/A LYS 164.A N LYS 160.A O no hydrogen 3.074 N/A PHE 165.A N ILE 161.A O no hydrogen 2.954 N/A LEU 166.A N GLU 162.A O no hydrogen 2.882 N/A LEU 167.A N ALA 163.A O no hydrogen 2.936 N/A VAL 168.A N LYS 164.A O no hydrogen 3.111 N/A ALA 169.A N PHE 165.A O no hydrogen 2.793 N/A ILE 170.A N LEU 166.A O no hydrogen 2.908 N/A GLN 171.A N LEU 167.A O no hydrogen 3.392 N/A GLN 171.A NE2 LEU 167.A O no hydrogen 3.107 N/A MET 172.A N VAL 168.A O no hydrogen 2.986 N/A VAL 173.A N ALA 169.A O no hydrogen 3.063 N/A SER 174.A OG LEU 71.A O no hydrogen 2.683 N/A GLU 175.A N ILE 170.A O no hydrogen 3.023 N/A ALA 176.A N GLN 171.A O no hydrogen 3.082 N/A ALA 177.A N VAL 173.A O no hydrogen 3.178 N/A ARG 178.A N SER 174.A O no hydrogen 3.135 N/A ARG 178.A NH1 GLU 175.A OE1 no hydrogen 2.977 N/A ARG 178.A NH2 ASN 70.A O no hydrogen 2.507 N/A PHE 179.A N GLU 175.A O no hydrogen 2.902 N/A TYR 181.A N ASP 247.A O no hydrogen 3.237 N/A ILE 182.A N PHE 179.A O no hydrogen 3.121 N/A GLU 183.A N PHE 179.A O no hydrogen 3.190 N/A ASN 184.A N LYS 180.A O no hydrogen 2.812 N/A GLN 185.A N TYR 181.A O no hydrogen 2.945 N/A VAL 186.A N ILE 182.A O no hydrogen 3.212 N/A LYS 187.A N GLU 183.A O no hydrogen 3.159 N/A LYS 187.A NZ GLU 183.A OE2 no hydrogen 3.043 N/A LYS 187.A NZ ASN 184.A OD1 no hydrogen 3.494 N/A THR 188.A N ASN 184.A O no hydrogen 2.977 N/A THR 188.A OG1 ASN 184.A O no hydrogen 2.944 N/A ASN 189.A N GLN 185.A O no hydrogen 3.216 N/A ASN 189.A ND2 GLN 185.A O no hydrogen 2.772 N/A PHE 190.A N LYS 187.A O no hydrogen 3.352 N/A ARG 192.A N ASN 189.A O no hydrogen 3.130 N/A ARG 192.A NH1 ASN 189.A OD1 no hydrogen 2.595 N/A PHE 194.A N LEU 139.A O no hydrogen 2.941 N/A ASN 197.A ND2 TYR 181.A OH no hydrogen 2.951 N/A LYS 199.A NZ ASP 247.A OD2 no hydrogen 2.803 N/A VAL 200.A N ASN 197.A OD1 no hydrogen 2.955 N/A LEU 201.A N ASN 197.A O no hydrogen 3.492 N/A ASP 202.A N ASP 198.A O no hydrogen 3.105 N/A LEU 203.A N LYS 199.A O no hydrogen 2.998 N/A GLU 204.A N VAL 200.A O no hydrogen 3.140 N/A GLU 205.A N LEU 201.A O no hydrogen 3.003 N/A ASN 206.A N LEU 203.A O no hydrogen 3.015 N/A ASN 206.A ND2 ASP 202.A O no hydrogen 2.892 N/A ASN 206.A ND2 ASP 202.A OD1 no hydrogen 3.458 N/A TRP 207.A NE1 LEU 250.A O no hydrogen 3.020 N/A ILE 210.A N ASN 206.A O no hydrogen 2.928 N/A SER 211.A N TRP 207.A O no hydrogen 3.090 N/A SER 211.A OG TRP 207.A O no hydrogen 2.882 N/A THR 212.A N GLY 208.A O no hydrogen 3.115 N/A THR 212.A OG1 GLY 208.A O no hydrogen 3.223 N/A ALA 213.A N LYS 209.A O no hydrogen 3.035 N/A ILE 214.A N ILE 210.A O no hydrogen 3.078 N/A HIS 215.A N SER 211.A O no hydrogen 3.214 N/A ASN 216.A N THR 212.A O no hydrogen 2.978 N/A SER 217.A N ILE 214.A O no hydrogen 3.296 N/A SER 217.A OG ALA 213.A O no hydrogen 2.845 N/A SER 217.A OG ILE 214.A O no hydrogen 3.351 N/A LYS 218.A N ALA 221.A O no hydrogen 3.051 N/A GLY 220.A N TYR 35.A OH no hydrogen 2.948 N/A ALA 221.A N LYS 218.A O no hydrogen 2.989 N/A LEU 222.A N LEU 239.A O no hydrogen 3.007 N/A LEU 226.A N VAL 238.A O no hydrogen 2.967 N/A LEU 228.A N TRP 236.A O no hydrogen 2.688 N/A LYS 229.A N ASP 202.A OD1 no hydrogen 3.183 N/A ASN 230.A N THR 234.A O no hydrogen 2.745 N/A GLY 233.A N ASN 230.A O no hydrogen 2.830 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.206 N/A THR 234.A OG1 ASN 230.A OD1 no hydrogen 2.935 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.776 N/A LYS 235.A NZ GLU 227.A OE2 no hydrogen 3.086 N/A TRP 236.A N LEU 228.A O no hydrogen 2.819 N/A VAL 238.A N LEU 226.A O no hydrogen 2.882 N/A LEU 239.A N GLU 243.A OE1 no hydrogen 2.888 N/A ARG 240.A N GLU 243.A OE1 no hydrogen 2.764 N/A VAL 241.A N GLY 220.A O no hydrogen 2.931 N/A GLU 243.A N ARG 240.A O no hydrogen 3.041 N/A ILE 244.A N VAL 241.A O no hydrogen 3.087 N/A LYS 245.A N VAL 241.A O no hydrogen 2.822 N/A LYS 245.A NZ TYR 35.A O no hydrogen 2.927 N/A ASP 247.A N ILE 244.A O no hydrogen 3.016 N/A VAL 248.A N LYS 245.A O no hydrogen 3.136 N/A GLY 249.A N ARG 178.A O no hydrogen 2.814 N/A LEU 250.A N ARG 178.A O no hydrogen 2.991 N/A LEU 251.A N PRO 38.A O no hydrogen 2.867 N/A ASN 252.A N SER 211.A OG no hydrogen 2.848 N/A TYR 253.A OH ASN 255.A OD1 no hydrogen 2.920 N/A CYS 258.A SG LYS 33.A O no hydrogen 3.201 N/A CYS 258.A SG GLN 259.A O no hydrogen 3.913 N/A