Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n59_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 18.A OD2 no hydrogen 2.989 N/A TYR 3.A N VAL 16.A O no hydrogen 3.091 N/A LYS 4.A N ASP 81.A OD1 no hydrogen 2.952 N/A VAL 5.A N ILE 14.A O no hydrogen 2.943 N/A LYS 6.A N CYS 82.A O no hydrogen 2.697 N/A ASP 7.A N ALA 12.A O no hydrogen 2.898 N/A VAL 8.A N ILE 84.A O no hydrogen 2.961 N/A THR 9.A N ASP 7.A OD1 no hydrogen 3.337 N/A THR 9.A OG1 THR 86.A O no hydrogen 2.779 N/A THR 10.A N ASP 7.A OD2 no hydrogen 3.517 N/A THR 10.A OG1 ASP 7.A OD2 no hydrogen 3.074 N/A GLY 11.A N ASP 7.A O no hydrogen 2.859 N/A ALA 12.A N THR 10.A OG1 no hydrogen 3.287 N/A ILE 14.A N VAL 5.A O no hydrogen 3.158 N/A VAL 16.A N TYR 3.A O no hydrogen 3.092 N/A ASP 18.A N ALA 1.A O no hydrogen 3.146 N/A LYS 20.A N PRO 17.A O no hydrogen 2.799 N/A TYR 21.A OH ASP 58.A OD2 no hydrogen 2.694 N/A ILE 22.A N SER 76.A O no hydrogen 2.889 N/A LEU 23.A N THR 73.A O no hydrogen 3.170 N/A GLU 25.A N TYR 21.A O no hydrogen 3.134 N/A PHE 26.A N ILE 22.A O no hydrogen 3.108 N/A GLU 27.A N LEU 23.A O no hydrogen 2.870 N/A LYS 28.A N ASP 24.A O no hydrogen 2.790 N/A GLN 29.A N GLU 25.A O no hydrogen 3.023 N/A GLN 29.A NE2 GLU 15.A O no hydrogen 3.300 N/A GLN 29.A NE2 GLU 25.A OE2 no hydrogen 3.096 N/A GLY 30.A N GLU 27.A O no hydrogen 3.128 N/A VAL 31.A N PHE 26.A O no hydrogen 2.769 N/A SER 36.A OG SER 44.A OG no hydrogen 2.497 N/A ARG 38.A NH1 GLU 27.A OE2 no hydrogen 3.255 N/A ARG 38.A NH2 GLU 27.A OE1 no hydrogen 3.037 N/A CYS 42.A SG SER 36.A OG no hydrogen 3.395 N/A CYS 42.A SG SER 44.A OG no hydrogen 3.481 N/A SER 44.A OG SER 36.A OG no hydrogen 2.497 N/A VAL 46.A N SER 43.A O no hydrogen 3.061 N/A ALA 47.A N ILE 71.A O no hydrogen 2.883 N/A LEU 48.A N GLU 85.A O no hydrogen 2.983 N/A ILE 49.A N LYS 69.A O no hydrogen 2.940 N/A SER 50.A N THR 83.A O no hydrogen 2.981 N/A SER 50.A OG THR 83.A O no hydrogen 3.362 N/A SER 51.A N THR 83.A O no hydrogen 3.377 N/A GLU 53.A N SER 80.A OG no hydrogen 2.767 N/A ASP 55.A N TYR 77.A O no hydrogen 2.685 N/A GLN 56.A NE2 TYR 70.A O no hydrogen 2.962 N/A SER 57.A N ASP 55.A OD1 no hydrogen 2.624 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.785 N/A SER 57.A OG ASP 55.A OD2 no hydrogen 3.565 N/A GLY 59.A N GLN 56.A O no hydrogen 2.729 N/A SER 60.A N GLY 40.A O no hydrogen 3.041 N/A SER 60.A OG GLY 40.A O no hydrogen 3.249 N/A PHE 61.A N GLY 40.A O no hydrogen 3.016 N/A SER 63.A N GLN 66.A OE1 no hydrogen 2.783 N/A SER 63.A OG.A GLN 66.A OE1 no hydrogen 2.959 N/A SER 63.A OG.B GLN 66.A OE1 no hydrogen 3.525 N/A SER 63.A OG.B ASP 95.A OD1 no hydrogen 2.413 N/A LYS 65.A N SER 63.A OG.B no hydrogen 3.183 N/A GLN 66.A N SER 63.A OG.B no hydrogen 3.010 N/A GLN 66.A NE2 LEU 93.A O no hydrogen 3.204 N/A GLU 67.A N SER 63.A O no hydrogen 3.121 N/A LYS 68.A N LYS 65.A O no hydrogen 3.171 N/A LYS 68.A NZ GLU 64.A O no hydrogen 3.325 N/A LYS 69.A N GLN 66.A O no hydrogen 2.976 N/A TYR 70.A N GLN 66.A O no hydrogen 2.824 N/A ILE 71.A N ALA 47.A O no hydrogen 2.968 N/A LEU 72.A N GLN 56.A OE1 no hydrogen 2.885 N/A THR 73.A N CYS 45.A O no hydrogen 3.318 N/A THR 73.A OG1 CYS 45.A O no hydrogen 2.638 N/A CYS 75.A N LEU 72.A O no hydrogen 3.171 N/A CYS 75.A SG.B LEU 72.A O no hydrogen 3.816 N/A SER 76.A OG LEU 72.A O no hydrogen 2.724 N/A TYR 77.A N ASP 55.A O no hydrogen 2.995 N/A LYS 79.A N GLU 53.A O no hydrogen 3.043 N/A CYS 82.A N LYS 4.A O no hydrogen 3.024 N/A CYS 82.A SG SER 51.A O no hydrogen 3.805 N/A CYS 82.A SG GLU 53.A O no hydrogen 3.507 N/A CYS 82.A SG SER 80.A O no hydrogen 3.850 N/A THR 83.A N SER 51.A O no hydrogen 3.159 N/A THR 83.A OG1 SER 50.A OG no hydrogen 3.075 N/A ILE 84.A N LYS 6.A O no hydrogen 2.794 N/A GLU 85.A N LEU 48.A O no hydrogen 2.853 N/A THR 86.A N ASP 7.A OD1 no hydrogen 2.817 N/A THR 86.A OG1 ASP 7.A OD1 no hydrogen 3.208 N/A THR 86.A OG1 ASP 7.A OD2 no hydrogen 2.462 N/A TYR 88.A N VAL 46.A O no hydrogen 3.252 N/A TYR 88.A OH GLU 240.A OE2 no hydrogen 2.596 N/A LYS 91.A N TYR 88.A O no hydrogen 2.824 N/A LYS 91.A NZ GLU 85.A OE2 no hydrogen 2.855 N/A LYS 91.A NZ PRO 231.A O no hydrogen 2.610 N/A LYS 91.A NZ GLU 240.A OE2 no hydrogen 2.764 N/A ILE 92.A N GLU 89.A O no hydrogen 3.491 N/A LEU 93.A N TYR 70.A OH no hydrogen 3.155 N/A GLU 94.A N GLU 97.A OE1 no hydrogen 2.827 N/A ILE 98.A N GLU 94.A O no hydrogen 2.913 N/A GLU 99.A N ASP 95.A O no hydrogen 2.937 N/A LEU 100.A N PHE 96.A O no hydrogen 3.271 N/A ALA 101.A N GLU 97.A O no hydrogen 2.967 N/A GLU 102.A N ILE 98.A O no hydrogen 2.886 N/A THR 103.A N GLU 99.A O no hydrogen 3.010 N/A GLY 104.A N LEU 100.A O no hydrogen 2.909 N/A LEU 105.A N ALA 101.A O no hydrogen 3.053 N/A GLU 106.A N GLU 102.A O no hydrogen 3.239 N/A PHE 107.A N THR 103.A O no hydrogen 3.030 N/A PHE 108.A N GLY 104.A O no hydrogen 2.833 N/A ASN 109.A N LEU 105.A O no hydrogen 2.918 N/A LEU 111.A N PHE 108.A O no hydrogen 2.853 N/A LYS 112.A N ASN 109.A O no hydrogen 3.467 N/A ARG 117.A NE ASP 133.A OD1 no hydrogen 3.027 N/A ARG 117.A NH2 ASP 133.A OD1 no hydrogen 3.428 N/A ARG 117.A NH2 ASP 133.A OD2 no hydrogen 3.067 N/A ILE 121.A N SER 144.A O no hydrogen 2.924 N/A LEU 122.A N GLU 130.A OE1 no hydrogen 2.799 N/A ALA 127.A N GLY 124.A O no hydrogen 3.047 N/A GLU 130.A N THR 126.A O no hydrogen 2.900 N/A ALA 131.A N ALA 127.A O no hydrogen 2.774 N/A PHE 132.A N PRO 128.A O no hydrogen 3.201 N/A ASP 133.A N PHE 129.A O no hydrogen 2.965 N/A HIS 134.A N GLU 130.A O no hydrogen 3.008 N/A HIS 134.A NE2 VAL 141.A O no hydrogen 2.797 N/A TYR 135.A N ALA 131.A O no hydrogen 3.139 N/A TYR 135.A N PHE 132.A O no hydrogen 2.996 N/A TYR 135.A OH ASP 228.A OD1 no hydrogen 3.417 N/A LEU 136.A N PHE 132.A O no hydrogen 3.173 N/A PHE 137.A N ASP 133.A O no hydrogen 2.952 N/A GLY 138.A N HIS 134.A O no hydrogen 2.800 N/A VAL 141.A N GLY 138.A O no hydrogen 3.211 N/A ARG 143.A N GLU 247.A O no hydrogen 3.136 N/A ARG 143.A NE GLY 119.A O no hydrogen 2.682 N/A ARG 143.A NH1 HIS 134.A ND1 no hydrogen 3.226 N/A ARG 143.A NH2 GLU 120.A O no hydrogen 2.886 N/A ARG 143.A NH2 GLU 130.A OE2 no hydrogen 3.181 N/A SER 144.A N GLY 119.A O no hydrogen 3.126 N/A ILE 145.A N ARG 249.A O no hydrogen 2.968 N/A ILE 147.A N PRO 251.A O no hydrogen 2.990 N/A ASN 148.A N ASN 146.A OD1 no hydrogen 2.660 N/A ASN 148.A ND2 ASN 146.A OD1 no hydrogen 3.333 N/A ASN 148.A ND2 GLU 253.A O no hydrogen 3.461 N/A ASP 149.A N ASN 146.A O no hydrogen 2.817 N/A VAL 150.A N ASN 146.A O no hydrogen 3.316 N/A ASN 153.A N ASP 187.A OD1 no hydrogen 2.774 N/A ASN 155.A N GLN 158.A OE1 no hydrogen 2.937 N/A VAL 156.A N GLU 258.A OE2 no hydrogen 2.939 N/A GLN 158.A N ASN 155.A O no hydrogen 2.886 N/A ILE 159.A N VAL 156.A O no hydrogen 3.008 N/A ILE 162.A N ILE 159.A O no hydrogen 3.073 N/A MET 163.A N ILE 159.A O no hydrogen 3.038 N/A SER 164.A N PRO 160.A O no hydrogen 2.855 N/A SER 164.A OG PRO 160.A O no hydrogen 3.276 N/A SER 164.A OG PRO 161.A O no hydrogen 3.540 N/A LEU 165.A N ILE 162.A O no hydrogen 3.200 N/A LEU 166.A N ILE 162.A O no hydrogen 3.122 N/A ASN 167.A N MET 163.A O no hydrogen 3.058 N/A ASN 167.A ND2 MET 163.A O no hydrogen 3.537 N/A ASN 170.A N GLY 168.A O no hydrogen 2.615 N/A ASN 170.A ND2 LEU 165.A O no hydrogen 2.551 N/A GLY 172.A N VAL 208.A O no hydrogen 2.744 N/A PHE 174.A N LEU 206.A O no hydrogen 2.715 N/A ILE 176.A N GLY 204.A O no hydrogen 2.794 N/A SER 178.A N THR 202.A O no hydrogen 3.110 N/A SER 178.A OG ASP 179.A O no hydrogen 3.333 N/A PHE 180.A N MET 200.A O no hydrogen 2.928 N/A ARG 182.A N ILE 198.A O no hydrogen 2.785 N/A ARG 182.A NE ASP 187.A OD2 no hydrogen 2.879 N/A ARG 182.A NH1 GLN 158.A OE1 no hydrogen 3.025 N/A ARG 182.A NH2 GLN 158.A OE1 no hydrogen 3.200 N/A ARG 182.A NH2 ASP 187.A OD1 no hydrogen 2.507 N/A THR 184.A N GLY 196.A O no hydrogen 3.126 N/A THR 184.A OG1 GLY 196.A O no hydrogen 2.681 N/A ALA 185.A N ASN 183.A OD1 no hydrogen 2.957 N/A LEU 186.A N ASN 183.A O no hydrogen 2.898 N/A ASP 187.A N THR 184.A O no hydrogen 2.775 N/A GLY 188.A N ALA 185.A O no hydrogen 2.878 N/A VAL 191.A N GLY 188.A O no hydrogen 3.182 N/A ALA 192.A N GLY 188.A O no hydrogen 3.147 N/A ALA 193.A N TYR 189.A O no hydrogen 2.894 N/A TYR 194.A N VAL 191.A O no hydrogen 3.002 N/A LEU 195.A N VAL 191.A O no hydrogen 2.835 N/A GLY 196.A N ALA 192.A O no hydrogen 2.940 N/A ILE 198.A N ARG 182.A O no hydrogen 2.941 N/A MET 200.A N PHE 180.A O no hydrogen 2.778 N/A ARG 201.A N ARG 221.A O no hydrogen 2.892 N/A ARG 201.A NE GLU 203.A OE1 no hydrogen 3.072 N/A ARG 201.A NH1 ASP 179.A OD1 no hydrogen 2.976 N/A THR 202.A N SER 178.A O no hydrogen 3.018 N/A THR 202.A OG1 TYR 216.A OH no hydrogen 2.970 N/A THR 202.A OG1 VAL 219.A O no hydrogen 3.051 N/A GLU 203.A N VAL 219.A O no hydrogen 3.059 N/A GLY 204.A N ILE 176.A O no hydrogen 2.957 N/A VAL 205.A N GLU 217.A O no hydrogen 2.951 N/A LEU 206.A N PHE 174.A O no hydrogen 2.749 N/A ASN 207.A N GLN 215.A O no hydrogen 2.832 N/A VAL 208.A N GLY 172.A O no hydrogen 2.929 N/A LYS 209.A N THR 213.A O no hydrogen 2.973 N/A GLY 212.A N LYS 209.A O no hydrogen 2.923 N/A THR 213.A N ASP 211.A OD1 no hydrogen 3.046 N/A THR 213.A OG1 ASP 211.A OD1 no hydrogen 2.676 N/A THR 213.A OG1 ASP 211.A OD2 no hydrogen 3.005 N/A TRP 214.A N GLY 260.A O no hydrogen 2.909 N/A GLN 215.A N ASN 207.A O no hydrogen 2.848 N/A TYR 216.A N GLU 258.A O no hydrogen 2.803 N/A TYR 216.A OH THR 202.A OG1 no hydrogen 2.970 N/A GLU 217.A N VAL 205.A O no hydrogen 3.241 N/A GLY 218.A N ILE 256.A O no hydrogen 2.995 N/A VAL 219.A N GLU 203.A O no hydrogen 2.817 N/A ILE 220.A N LEU 254.A O no hydrogen 2.723 N/A ARG 221.A N ARG 201.A O no hydrogen 3.004 N/A ARG 221.A NH1 GLU 203.A OE2 no hydrogen 3.126 N/A ARG 221.A NH1 GLU 253.A OE2 no hydrogen 2.913 N/A ARG 221.A NH2 GLU 203.A OE1 no hydrogen 2.786 N/A ARG 221.A NH2 GLU 203.A OE2 no hydrogen 3.556 N/A SER 222.A OG TYR 223.A O no hydrogen 2.784 N/A TYR 223.A N THR 199.A O no hydrogen 2.917 N/A TYR 223.A OH ASP 179.A OD1 no hydrogen 2.610 N/A ASP 225.A N ILE 248.A O no hydrogen 3.046 N/A THR 226.A OG1 GLU 247.A OE1 no hydrogen 3.096 N/A TYR 227.A N TYR 246.A O no hydrogen 2.743 N/A ASN 230.A N ASP 228.A OD1 no hydrogen 3.050 N/A ASN 230.A ND2 ASP 228.A OD1 no hydrogen 3.326 N/A ASN 230.A ND2 ASP 228.A OD2 no hydrogen 3.534 N/A SER 232.A N ASN 230.A OD1 no hydrogen 2.788 N/A SER 232.A OG ASN 230.A OD1 no hydrogen 2.443 N/A THR 233.A N ASN 230.A O no hydrogen 3.247 N/A THR 233.A OG1 ASP 228.A O no hydrogen 3.464 N/A THR 233.A OG1 ASN 230.A O no hydrogen 3.043 N/A ARG 235.A NH1 TYR 194.A O no hydrogen 2.456 N/A ARG 235.A NH1 ASP 225.A OD2 no hydrogen 3.108 N/A GLY 236.A N THR 233.A OG1 no hydrogen 2.906 N/A ALA 237.A N THR 233.A O no hydrogen 2.966 N/A LEU 238.A N HIS 234.A O no hydrogen 2.976 N/A GLY 239.A N ARG 235.A O no hydrogen 3.028 N/A GLU 240.A N GLY 236.A O no hydrogen 2.767 N/A TRP 241.A N GLY 239.A O no hydrogen 2.576 N/A THR 244.A N TYR 135.A O no hydrogen 3.128 N/A TYR 246.A N TYR 227.A O no hydrogen 3.178 N/A TYR 246.A OH ALA 131.A O no hydrogen 2.635 N/A ILE 248.A N ASP 225.A O no hydrogen 2.839 N/A ARG 249.A N ARG 143.A O no hydrogen 2.860 N/A LEU 254.A N ILE 220.A O no hydrogen 2.756 N/A ILE 256.A N GLY 218.A O no hydrogen 2.876 N/A LYS 257.A NZ GLU 217.A OE1 no hydrogen 3.487 N/A GLU 258.A N TYR 216.A O no hydrogen 3.086 N/A GLY 260.A N TRP 214.A O no hydrogen 2.932 N/A LYS 262.A N GLY 212.A O no hydrogen 3.005 N/A LYS 262.A NZ LEU 166.A O no hydrogen 3.449 N/A LYS 262.A NZ GLY 168.A O no hydrogen 3.051 N/A