Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bnj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 30.A O no hydrogen 2.939 N/A GLU 4.A N ASN 2.A OD1 no hydrogen 3.452 N/A LYS 6.A N LEU 3.A O no hydrogen 3.155 N/A THR 7.A N ASP 87.A OD2 no hydrogen 2.814 N/A TYR 8.A N LYS 33.A O no hydrogen 3.079 N/A TYR 8.A OH LEU 233.A O no hydrogen 2.825 N/A VAL 9.A N GLY 88.A O no hydrogen 2.975 N/A ILE 10.A N VAL 35.A O no hydrogen 2.829 N/A MET 11.A N TYR 90.A O no hydrogen 2.888 N/A GLY 12.A N THR 37.A O no hydrogen 3.382 N/A ALA 14.A N SER 18.A OG no hydrogen 2.979 N/A ASN 15.A N SER 18.A OG no hydrogen 3.175 N/A ARG 17.A N ASN 15.A OD1 no hydrogen 3.079 N/A SER 18.A N ASN 15.A O no hydrogen 3.156 N/A SER 18.A OG ASN 15.A O no hydrogen 3.233 N/A PHE 21.A N SER 18.A O no hydrogen 2.986 N/A GLY 22.A N SER 18.A O no hydrogen 3.458 N/A VAL 23.A N ILE 19.A O no hydrogen 3.173 N/A ALA 24.A N ALA 20.A O no hydrogen 2.920 N/A LYS 25.A N PHE 21.A O no hydrogen 2.975 N/A VAL 26.A N GLY 22.A O no hydrogen 3.169 N/A LEU 27.A N VAL 23.A O no hydrogen 2.977 N/A ASP 28.A N ALA 24.A O no hydrogen 2.713 N/A GLN 29.A N LYS 25.A O no hydrogen 3.002 N/A LEU 30.A N VAL 26.A O no hydrogen 3.070 N/A LEU 30.A N LEU 27.A O no hydrogen 3.015 N/A GLY 31.A N ASP 28.A O no hydrogen 2.984 N/A ALA 32.A N LEU 27.A O no hydrogen 3.157 N/A LYS 33.A N LYS 6.A O no hydrogen 2.872 N/A LEU 34.A N GLN 56.A OE1 no hydrogen 2.855 N/A VAL 35.A N TYR 8.A O no hydrogen 3.081 N/A PHE 36.A N HIS 60.A O no hydrogen 2.806 N/A THR 37.A N ILE 10.A O no hydrogen 3.017 N/A TYR 38.A N TYR 62.A O no hydrogen 3.030 N/A ARG 42.A NE GLU 46.A OE2 no hydrogen 3.255 N/A ARG 42.A NH2 GLU 46.A OE2 no hydrogen 3.132 N/A SER 43.A N LYS 40.A O no hydrogen 2.815 N/A ARG 44.A N LYS 40.A O no hydrogen 3.326 N/A ARG 44.A NE.A GLU 41.A OE1.B no hydrogen 2.397 N/A ARG 44.A NE.B GLU 48.A OE2 no hydrogen 3.096 N/A ARG 44.A NH1.B TYR 38.A OH no hydrogen 3.108 N/A ARG 44.A NH1.B LEU 61.A O no hydrogen 3.222 N/A ARG 44.A NH2.A GLU 41.A OE1.B no hydrogen 2.910 N/A LYS 45.A N GLU 41.A O no hydrogen 3.067 N/A GLU 46.A N ARG 42.A O no hydrogen 2.934 N/A LEU 47.A N SER 43.A O no hydrogen 2.796 N/A GLU 48.A N ARG 44.A O no hydrogen 2.766 N/A LYS 49.A N LYS 45.A O no hydrogen 3.230 N/A LYS 49.A N GLU 46.A O no hydrogen 3.185 N/A LYS 49.A NZ GLU 46.A OE1 no hydrogen 2.938 N/A LYS 49.A NZ GLU 46.A OE2 no hydrogen 3.398 N/A LEU 50.A N GLU 46.A O no hydrogen 2.808 N/A LEU 51.A N LEU 47.A O no hydrogen 3.076 N/A GLU 52.A N LYS 49.A O no hydrogen 3.269 N/A GLN 53.A N LEU 50.A O no hydrogen 3.163 N/A LEU 54.A N LEU 51.A O no hydrogen 2.922 N/A ASN 55.A N ASP 28.A OD2 no hydrogen 3.129 N/A GLN 56.A NE2 ASP 28.A OD1 no hydrogen 2.718 N/A GLN 56.A NE2 ALA 32.A O no hydrogen 2.854 N/A TYR 62.A N PHE 36.A O no hydrogen 2.766 N/A TYR 62.A OH ASP 82.A OD2 no hydrogen 2.633 N/A GLN 63.A NE2 ARG 39.A O no hydrogen 2.929 N/A GLN 63.A NE2 GLU 41.A OE2.B no hydrogen 2.911 N/A ILE 64.A N TYR 38.A O no hydrogen 2.805 N/A ASP 65.A N GLU 71.A OE1 no hydrogen 2.848 N/A GLN 67.A N ASP 65.A OD1 no hydrogen 2.611 N/A GLN 67.A NE2 ASP 118.A OD2 no hydrogen 3.173 N/A SER 68.A N ASP 65.A O no hydrogen 3.077 N/A GLU 71.A N SER 68.A O no hydrogen 3.243 N/A GLU 71.A N SER 68.A OG no hydrogen 3.090 N/A VAL 72.A N SER 68.A O no hydrogen 3.318 N/A ILE 73.A N ASP 69.A O no hydrogen 2.837 N/A ASN 74.A N GLU 70.A O no hydrogen 2.921 N/A GLY 75.A N GLU 71.A O no hydrogen 2.757 N/A PHE 76.A N VAL 72.A O no hydrogen 3.005 N/A GLU 77.A N ILE 73.A O no hydrogen 3.079 N/A GLN 78.A N ASN 74.A O no hydrogen 2.987 N/A GLN 78.A NE2 GLN 78.A O no hydrogen 3.443 N/A GLN 78.A NE2 ASP 82.A OD2 no hydrogen 3.429 N/A ILE 79.A N GLY 75.A O no hydrogen 3.050 N/A GLY 80.A N PHE 76.A O no hydrogen 2.888 N/A LYS 81.A N GLU 77.A O no hydrogen 3.155 N/A ASP 82.A N GLN 78.A O no hydrogen 2.777 N/A ASP 82.A N ILE 79.A O no hydrogen 3.064 N/A VAL 83.A N ILE 79.A O no hydrogen 2.942 N/A GLY 84.A N GLY 80.A O no hydrogen 2.954 N/A ILE 86.A N LEU 134.A O no hydrogen 2.932 N/A ASP 87.A N THR 7.A O no hydrogen 2.658 N/A VAL 89.A N SER 140.A O no hydrogen 2.969 N/A TYR 90.A N VAL 9.A O no hydrogen 2.784 N/A TYR 90.A OH THR 144.A OG1 no hydrogen 2.717 N/A HIS 91.A N VAL 142.A O no hydrogen 2.716 N/A HIS 91.A NE2 SER 123.A OG no hydrogen 2.848 N/A SER 92.A N MET 11.A O no hydrogen 3.048 N/A PHE 95.A N SER 120.A OG no hydrogen 3.122 N/A ASN 97.A ND2 ASP 100.A OD2.B no hydrogen 3.229 N/A GLU 99.A N.A GLU 99.A OE1.A no hydrogen 3.079 N/A ASP 100.A N.A ASN 97.A O no hydrogen 2.888 N/A ASP 100.A N.B ASN 97.A O no hydrogen 3.306 N/A LEU 101.A N.A MET 98.A O.A no hydrogen 2.967 N/A LEU 101.A N.A MET 98.A O.B no hydrogen 3.454 N/A LEU 101.A N.B ASN 97.A O no hydrogen 2.961 N/A ARG 102.A N.A LEU 101.A O.B no hydrogen 1.233 N/A ARG 102.A N.B MET 98.A O.A no hydrogen 2.442 N/A ARG 102.A N.B MET 98.A O.B no hydrogen 2.476 N/A ARG 102.A NE.A MET 98.A O.A no hydrogen 3.434 N/A ARG 102.A NE.B GLY 199.A O no hydrogen 2.627 N/A ARG 102.A NH2.B LYS 198.A O no hydrogen 3.071 N/A GLU 107.A N ARG 104.A O.A no hydrogen 3.334 N/A GLU 107.A N ARG 104.A O.B no hydrogen 2.890 N/A THR 108.A N PHE 105.A O no hydrogen 3.079 N/A THR 108.A OG1 PHE 105.A O no hydrogen 2.662 N/A SER 109.A N ASP 100.A OD1.B no hydrogen 2.978 N/A SER 109.A OG ASP 100.A OD1.B no hydrogen 3.011 N/A SER 109.A OG ASP 100.A OD2.B no hydrogen 3.343 N/A GLY 112.A N SER 109.A OG no hydrogen 2.838 N/A PHE 113.A N SER 109.A O no hydrogen 2.843 N/A LEU 114.A N ARG 110.A O no hydrogen 2.892 N/A LEU 115.A N GLU 111.A O no hydrogen 2.903 N/A ALA 116.A N GLY 112.A O no hydrogen 3.161 N/A GLN 117.A N PHE 113.A O no hydrogen 3.215 N/A GLN 117.A NE2 VAL 161.A O no hydrogen 3.390 N/A ASP 118.A N LEU 114.A O no hydrogen 2.928 N/A ILE 119.A N LEU 115.A O no hydrogen 3.215 N/A SER 120.A N ALA 116.A O no hydrogen 2.981 N/A SER 120.A OG PHE 95.A O no hydrogen 3.330 N/A SER 120.A OG ALA 116.A O no hydrogen 2.829 N/A SER 121.A N GLN 117.A O no hydrogen 2.925 N/A SER 121.A OG SER 165.A OG no hydrogen 2.666 N/A TYR 122.A N GLN 117.A O no hydrogen 2.736 N/A SER 123.A OG HIS 91.A NE2 no hydrogen 2.848 N/A SER 123.A OG ILE 119.A O no hydrogen 2.476 N/A LEU 124.A N SER 121.A O no hydrogen 3.039 N/A THR 125.A OG1 ASN 169.A OD1 no hydrogen 2.886 N/A ILE 126.A N TYR 122.A O no hydrogen 3.434 N/A VAL 127.A N SER 123.A O no hydrogen 2.975 N/A ALA 128.A N LEU 124.A O no hydrogen 2.920 N/A HIS 129.A N THR 125.A O no hydrogen 2.960 N/A HIS 129.A ND1 GLU 130.A OE2 no hydrogen 2.811 N/A GLU 130.A N ILE 126.A O no hydrogen 2.960 N/A ALA 131.A N VAL 127.A O no hydrogen 2.764 N/A LYS 132.A N ALA 128.A O no hydrogen 2.987 N/A LYS 132.A NZ ASP 180.A OD2 no hydrogen 3.495 N/A LYS 133.A N GLU 130.A O no hydrogen 3.278 N/A LYS 133.A NZ GLU 130.A OE1 no hydrogen 2.991 N/A LEU 134.A N ALA 131.A O no hydrogen 2.903 N/A MET 135.A N LYS 132.A O no hydrogen 3.080 N/A GLY 138.A N MET 135.A O no hydrogen 2.938 N/A GLY 139.A N ASN 181.A O no hydrogen 3.033 N/A SER 140.A N ASP 87.A O no hydrogen 2.910 N/A SER 140.A OG LEU 232.A O no hydrogen 2.723 N/A ILE 141.A N ARG 183.A O no hydrogen 2.808 N/A VAL 142.A N VAL 89.A O no hydrogen 3.018 N/A ALA 143.A N ASN 185.A O no hydrogen 3.045 N/A THR 144.A OG1 TYR 90.A OH no hydrogen 2.717 N/A THR 144.A OG1 HIS 91.A O no hydrogen 3.039 N/A THR 145.A N ILE 187.A O no hydrogen 2.615 N/A THR 145.A OG1 GLU 167.A OE2 no hydrogen 2.606 N/A GLY 149.A N TYR 146.A O no hydrogen 2.790 N/A GLU 150.A N LEU 147.A O no hydrogen 2.952 N/A PHE 151.A N LEU 147.A O no hydrogen 3.284 N/A ASN 155.A ND2 GLY 201.A O no hydrogen 3.557 N/A TYR 156.A N GLN 154.A O no hydrogen 2.797 N/A ASN 157.A ND2 LEU 101.A O.B no hydrogen 3.247 N/A ASN 157.A ND2 GLY 103.A O.A no hydrogen 3.387 N/A MET 159.A N TYR 156.A O no hydrogen 3.007 N/A GLY 160.A N ASN 157.A O no hydrogen 2.904 N/A ALA 162.A N VAL 158.A O no hydrogen 3.053 N/A LYS 163.A N MET 159.A O no hydrogen 2.736 N/A LYS 163.A NZ THR 144.A O no hydrogen 3.198 N/A ALA 164.A N GLY 160.A O no hydrogen 2.795 N/A SER 165.A N VAL 161.A O no hydrogen 3.086 N/A SER 165.A OG GLN 117.A OE1 no hydrogen 2.827 N/A SER 165.A OG SER 121.A OG no hydrogen 2.666 N/A LEU 166.A N ALA 162.A O no hydrogen 2.921 N/A GLU 167.A N LYS 163.A O no hydrogen 2.985 N/A ALA 168.A N ALA 164.A O no hydrogen 3.119 N/A ASN 169.A N SER 165.A O no hydrogen 2.934 N/A ASN 169.A ND2 SER 121.A OG no hydrogen 3.298 N/A ASN 169.A ND2 THR 125.A OG1 no hydrogen 2.812 N/A VAL 170.A N LEU 166.A O no hydrogen 2.888 N/A LYS 171.A N GLU 167.A O no hydrogen 3.224 N/A TYR 172.A N ALA 168.A O no hydrogen 2.799 N/A LEU 173.A N ASN 169.A O no hydrogen 2.826 N/A ALA 174.A N VAL 170.A O no hydrogen 2.852 N/A LEU 175.A N LYS 171.A O no hydrogen 3.060 N/A ASP 176.A N TYR 172.A O no hydrogen 2.908 N/A LEU 177.A N LEU 173.A O no hydrogen 2.742 N/A GLY 178.A N ALA 174.A O no hydrogen 3.033 N/A ASP 180.A N LEU 177.A O no hydrogen 2.962 N/A ASN 181.A N GLY 178.A O no hydrogen 2.792 N/A ASN 181.A ND2 GLU 137.A O no hydrogen 3.631 N/A ILE 182.A N LEU 177.A O no hydrogen 3.254 N/A ARG 183.A N GLY 139.A O no hydrogen 2.983 N/A ARG 183.A NH1 LEU 232.A O no hydrogen 3.367 N/A ARG 183.A NH1 SER 237.A OG no hydrogen 2.774 N/A ARG 183.A NH1 VAL 240.A O no hydrogen 3.053 N/A ARG 183.A NH2 LEU 232.A O no hydrogen 3.171 N/A VAL 184.A N THR 241.A OG1 no hydrogen 2.982 N/A ASN 185.A N ILE 141.A O no hydrogen 2.815 N/A ASN 185.A ND2 VAL 240.A O no hydrogen 3.176 N/A ALA 186.A N GLU 243.A O no hydrogen 2.906 N/A ILE 187.A N ALA 143.A O no hydrogen 2.865 N/A SER 188.A N ILE 245.A O no hydrogen 2.810 N/A ALA 189.A N THR 145.A O no hydrogen 3.098 N/A GLY 190.A N VAL 247.A O no hydrogen 2.979 N/A ARG 193.A NH1 ASN 204.A OD1 no hydrogen 3.061 N/A ARG 193.A NH2 ASN 204.A OD1 no hydrogen 2.911 N/A ALA 197.A N THR 194.A OG1 no hydrogen 3.240 N/A LYS 198.A N LEU 195.A O no hydrogen 3.246 N/A GLY 199.A N SER 196.A O no hydrogen 3.057 N/A VAL 200.A N ALA 197.A O no hydrogen 2.951 N/A GLY 201.A N LEU 101.A O.A no hydrogen 2.902 N/A PHE 203.A N VAL 200.A O no hydrogen 3.140 N/A ILE 206.A N GLY 202.A O no hydrogen 3.217 N/A ILE 206.A N PHE 203.A O no hydrogen 2.998 N/A LEU 207.A N PHE 203.A O no hydrogen 3.107 N/A LYS 208.A N ASN 204.A O no hydrogen 2.985 N/A GLU 209.A N THR 205.A O no hydrogen 2.996 N/A ILE 210.A N ILE 206.A O no hydrogen 3.213 N/A GLU 211.A N LEU 207.A O no hydrogen 3.312 N/A GLU 212.A N LYS 208.A O no hydrogen 3.013 N/A ARG 213.A N GLU 209.A O no hydrogen 2.877 N/A ARG 213.A N ILE 210.A O no hydrogen 3.256 N/A ARG 213.A NH1 GLU 209.A OE2 no hydrogen 3.143 N/A ARG 213.A NH2 LYS 255.A OXT no hydrogen 3.193 N/A ALA 214.A N ILE 210.A O no hydrogen 2.908 N/A LEU 216.A N SER 249.A O no hydrogen 3.076 N/A LYS 217.A N ALA 214.A O no hydrogen 2.801 N/A LYS 217.A NZ ALA 214.A O no hydrogen 3.190 N/A ARG 218.A NH1 ASN 219.A O no hydrogen 3.020 N/A ARG 218.A NH1 GLU 224.A OE1 no hydrogen 2.967 N/A ARG 218.A NH1 GLU 224.A OE2 no hydrogen 3.327 N/A ARG 218.A NH2 GLU 224.A OE2 no hydrogen 2.820 N/A ASN 219.A ND2 LEU 207.A O no hydrogen 3.110 N/A ASP 221.A N GLU 224.A OE1 no hydrogen 3.416 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.726 N/A GLN 222.A NE2 ARG 17.A O no hydrogen 2.721 N/A GLU 224.A N ASP 221.A O no hydrogen 2.995 N/A GLU 224.A N ASP 221.A OD1 no hydrogen 3.060 N/A VAL 225.A N ASP 221.A O no hydrogen 3.333 N/A GLY 226.A N GLN 222.A O no hydrogen 2.890 N/A LYS 227.A N VAL 223.A O no hydrogen 2.845 N/A LYS 227.A N GLU 224.A O no hydrogen 3.256 N/A THR 228.A N GLU 224.A O no hydrogen 3.288 N/A ALA 229.A N VAL 225.A O no hydrogen 2.933 N/A ALA 230.A N GLY 226.A O no hydrogen 2.894 N/A TYR 231.A N LYS 227.A O no hydrogen 3.182 N/A LEU 232.A N THR 228.A O no hydrogen 2.965 N/A LEU 233.A N ALA 229.A O no hydrogen 2.802 N/A SER 234.A N TYR 231.A O no hydrogen 3.378 N/A SER 234.A OG ALA 230.A O no hydrogen 3.110 N/A SER 234.A OG TYR 231.A O no hydrogen 3.180 N/A LEU 236.A N SER 234.A OG no hydrogen 3.112 N/A SER 237.A N SER 234.A O no hydrogen 3.328 N/A SER 237.A OG TYR 231.A O no hydrogen 2.939 N/A SER 237.A OG LEU 232.A O no hydrogen 3.121 N/A SER 237.A OG SER 234.A O no hydrogen 3.328 N/A SER 238.A N.A ASP 235.A O no hydrogen 3.132 N/A SER 238.A N.B ASP 235.A O no hydrogen 3.191 N/A SER 238.A OG.A ASP 235.A O no hydrogen 3.430 N/A VAL 240.A N SER 237.A O no hydrogen 2.857 N/A THR 241.A OG1 VAL 184.A O no hydrogen 3.405 N/A GLY 242.A N VAL 184.A O no hydrogen 2.765 N/A GLU 243.A N ASN 185.A OD1 no hydrogen 2.825 N/A ASN 244.A N GLU 243.A OE1 no hydrogen 2.879 N/A ILE 245.A N ALA 186.A O no hydrogen 2.845 N/A HIS 246.A NE2 GLU 150.A OE2 no hydrogen 2.756 N/A VAL 247.A N SER 188.A O no hydrogen 2.800 N/A SER 249.A OG ARG 218.A O no hydrogen 2.579 N/A GLY 250.A N ASP 248.A OD1 no hydrogen 3.183 N/A PHE 251.A N ASP 248.A O no hydrogen 3.173 N/A HIS 252.A N ASP 248.A OD2 no hydrogen 2.863 N/A HIS 252.A ND1 ASP 248.A OD1 no hydrogen 3.234 N/A ALA 253.A N GLY 250.A O no hydrogen 2.916 N/A ILE 254.A N PHE 251.A O no hydrogen 3.196 N/A