Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u2n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 202.A O no hydrogen 2.987 N/A PHE 3.A N GLY 200.A O no hydrogen 2.926 N/A HIS 6.A N PHE 3.A O no hydrogen 2.932 N/A HIS 6.A ND1 GLU 219.A OE1 no hydrogen 2.886 N/A HIS 6.A NE2 CYS 197.A O no hydrogen 2.823 N/A SER 7.A OG ASN 126.A OD1 no hydrogen 3.081 N/A HIS 9.A N GLN 5.A O no hydrogen 3.027 N/A VAL 10.A N HIS 6.A O no hydrogen 2.901 N/A LEU 11.A N SER 7.A O no hydrogen 3.012 N/A GLU 12.A N GLN 8.A O no hydrogen 2.894 N/A GLN 13.A N HIS 9.A O no hydrogen 2.946 N/A LEU 14.A N VAL 10.A O no hydrogen 2.763 N/A ASN 15.A N LEU 11.A O no hydrogen 2.754 N/A GLN 16.A N GLU 12.A O no hydrogen 2.857 N/A GLN 17.A N GLN 13.A O no hydrogen 2.896 N/A GLN 17.A NE2 ALA 158.A O no hydrogen 3.222 N/A ARG 18.A N LEU 14.A O no hydrogen 3.164 N/A ARG 18.A NE ASN 15.A OD1 no hydrogen 2.834 N/A ARG 18.A NH2 ASN 15.A OD1 no hydrogen 2.847 N/A GLN 19.A N ASN 15.A O no hydrogen 3.149 N/A LEU 20.A N GLN 16.A O no hydrogen 3.322 N/A GLY 21.A N ARG 18.A O no hydrogen 3.060 N/A LEU 22.A N GLN 17.A O no hydrogen 2.777 N/A CYS 24.A SG GLN 17.A O no hydrogen 3.877 N/A CYS 24.A SG LEU 22.A O no hydrogen 3.662 N/A ASP 25.A N ALA 37.A O no hydrogen 3.201 N/A CYS 26.A N ALA 37.A O no hydrogen 3.274 N/A CYS 26.A SG ALA 37.A O no hydrogen 3.394 N/A PHE 28.A N PHE 35.A O no hydrogen 2.764 N/A VAL 30.A N VAL 33.A O no hydrogen 3.018 N/A VAL 33.A N VAL 30.A O no hydrogen 2.889 N/A PHE 35.A N PHE 28.A O no hydrogen 2.919 N/A ALA 37.A N CYS 26.A O no hydrogen 3.111 N/A HIS 38.A N TYR 77.A OH no hydrogen 2.881 N/A HIS 38.A ND1 TYR 77.A OH no hydrogen 2.638 N/A HIS 38.A NE2 GLN 17.A OE1 no hydrogen 3.058 N/A LYS 39.A N ASP 25.A OD1 no hydrogen 2.773 N/A LYS 39.A N ASP 25.A OD2 no hydrogen 3.387 N/A LYS 39.A NZ ASP 25.A O no hydrogen 2.907 N/A LYS 39.A NZ ASP 25.A OD1 no hydrogen 3.275 N/A VAL 41.A N HIS 38.A O no hydrogen 2.978 N/A LEU 42.A N HIS 38.A O no hydrogen 2.968 N/A ALA 43.A N LYS 39.A O no hydrogen 2.910 N/A ALA 44.A N ALA 40.A O no hydrogen 3.137 N/A CYS 45.A N VAL 41.A O no hydrogen 2.990 N/A CYS 45.A N LEU 42.A O no hydrogen 2.939 N/A CYS 45.A SG VAL 41.A O no hydrogen 3.407 N/A CYS 45.A SG MET 76.A O no hydrogen 3.753 N/A PHE 49.A N SER 46.A O no hydrogen 3.060 N/A PHE 49.A N SER 46.A OG no hydrogen 3.028 N/A LYS 50.A N SER 46.A O no hydrogen 3.112 N/A MET 51.A N GLU 47.A O no hydrogen 3.074 N/A LEU 52.A N TYR 48.A O no hydrogen 2.981 N/A PHE 53.A N PHE 49.A O no hydrogen 2.946 N/A PHE 53.A N LYS 50.A O no hydrogen 3.140 N/A VAL 54.A N MET 51.A O no hydrogen 3.308 N/A GLY 68.A N ASN 65.A OD1 no hydrogen 2.750 N/A LEU 69.A N ASN 65.A O no hydrogen 3.336 N/A GLY 70.A N ALA 66.A O no hydrogen 2.804 N/A GLN 71.A N ALA 67.A O no hydrogen 3.073 N/A GLN 71.A N GLY 68.A O no hydrogen 3.184 N/A VAL 72.A N GLY 68.A O no hydrogen 3.077 N/A LEU 73.A N LEU 69.A O no hydrogen 2.940 N/A GLU 74.A N GLY 70.A O no hydrogen 3.075 N/A PHE 75.A N GLN 71.A O no hydrogen 2.940 N/A MET 76.A N VAL 72.A O no hydrogen 3.043 N/A TYR 77.A N LEU 73.A O no hydrogen 3.003 N/A TYR 77.A OH HIS 38.A ND1 no hydrogen 2.638 N/A THR 78.A N PHE 75.A O no hydrogen 3.311 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.931 N/A ALA 79.A N PHE 75.A O no hydrogen 2.669 N/A LYS 80.A N THR 78.A OG1 no hydrogen 3.165 N/A LEU 81.A N MET 119.A O no hydrogen 3.075 N/A LEU 83.A N LEU 117.A O no hydrogen 2.777 N/A SER 84.A N ASN 87.A OD1 no hydrogen 2.899 N/A ASN 87.A N SER 84.A O no hydrogen 2.967 N/A ASN 87.A ND2 SER 82.A O no hydrogen 3.206 N/A VAL 88.A N SER 84.A O no hydrogen 2.921 N/A VAL 91.A N ASN 87.A O no hydrogen 3.146 N/A LEU 92.A N VAL 88.A O no hydrogen 2.858 N/A ALA 93.A N ASP 89.A O no hydrogen 2.885 N/A VAL 94.A N ASP 90.A O no hydrogen 3.191 N/A ALA 95.A N VAL 91.A O no hydrogen 2.683 N/A THR 96.A N LEU 92.A O no hydrogen 2.812 N/A THR 96.A OG1 LEU 92.A O no hydrogen 2.492 N/A PHE 97.A N ALA 93.A O no hydrogen 2.948 N/A LEU 98.A N VAL 94.A O no hydrogen 3.055 N/A GLN 99.A N THR 96.A O no hydrogen 3.286 N/A MET 100.A N ALA 95.A O no hydrogen 3.001 N/A ILE 104.A N MET 100.A O no hydrogen 2.942 N/A THR 105.A N GLN 101.A O no hydrogen 2.903 N/A THR 105.A OG1 GLN 101.A O no hydrogen 3.211 N/A THR 105.A OG1 ASP 102.A O no hydrogen 2.906 N/A ALA 106.A N ASP 102.A O no hydrogen 2.970 N/A CYS 107.A N ILE 103.A O no hydrogen 2.867 N/A CYS 107.A SG VAL 88.A O no hydrogen 3.761 N/A CYS 107.A SG ILE 103.A O no hydrogen 3.453 N/A HIS 108.A N ILE 104.A O no hydrogen 2.878 N/A ALA 109.A N THR 105.A O no hydrogen 2.982 N/A LEU 110.A N ALA 106.A O no hydrogen 3.148 N/A LYS 111.A N CYS 107.A O no hydrogen 3.027 N/A SER 112.A N HIS 108.A O no hydrogen 2.956 N/A SER 112.A OG ALA 109.A O no hydrogen 2.603 N/A LEU 113.A N LEU 110.A O no hydrogen 3.298 N/A THR 116.A OG1 LEU 83.A O no hydrogen 3.400 N/A LEU 117.A N LEU 83.A O no hydrogen 3.083 N/A MET 119.A N LEU 81.A O no hydrogen 2.805 N/A ILE 121.A N ALA 79.A O no hydrogen 3.292 N/A SER 127.A N ASN 123.A O no hydrogen 3.170 N/A ILE 128.A N PHE 124.A O no hydrogen 2.840 N/A LEU 129.A N GLY 125.A O no hydrogen 2.845 N/A GLU 130.A N ASN 126.A O no hydrogen 2.959 N/A CYS 131.A N SER 127.A O no hydrogen 3.143 N/A CYS 131.A SG SER 127.A O no hydrogen 3.329 N/A LEU 132.A N ILE 128.A O no hydrogen 2.961 N/A ASN 133.A N LEU 129.A O no hydrogen 2.901 N/A GLU 134.A N GLU 130.A O no hydrogen 2.956 N/A GLN 135.A N CYS 131.A O no hydrogen 2.862 N/A GLN 135.A NE2 ALA 40.A O no hydrogen 3.063 N/A ARG 136.A N LEU 132.A O no hydrogen 2.906 N/A ARG 136.A NE ASN 133.A OD1 no hydrogen 3.215 N/A ARG 136.A NH2 ASN 133.A OD1 no hydrogen 2.942 N/A LEU 137.A N ASN 133.A O no hydrogen 2.906 N/A GLN 138.A N GLN 135.A O no hydrogen 3.021 N/A GLY 139.A N ARG 136.A O no hydrogen 3.010 N/A LEU 140.A N GLN 135.A O no hydrogen 2.845 N/A CYS 142.A SG LEU 140.A O no hydrogen 3.781 N/A VAL 144.A N ALA 155.A O no hydrogen 3.272 N/A SER 145.A N ALA 177.A O no hydrogen 3.003 N/A VAL 146.A N PHE 153.A O no hydrogen 2.834 N/A VAL 147.A N VAL 179.A O no hydrogen 2.871 N/A VAL 148.A N HIS 151.A O no hydrogen 2.944 N/A LYS 149.A NZ ALA 183.A O no hydrogen 2.871 N/A HIS 151.A N VAL 148.A O no hydrogen 3.256 N/A HIS 151.A ND1 LYS 149.A O no hydrogen 3.190 N/A PHE 153.A N VAL 146.A O no hydrogen 2.902 N/A ALA 155.A N VAL 144.A O no hydrogen 3.000 N/A HIS 156.A N TYR 198.A OH no hydrogen 2.836 N/A HIS 156.A ND1 TYR 198.A OH no hydrogen 2.616 N/A ARG 157.A N ASP 143.A OD1 no hydrogen 2.927 N/A ARG 157.A NH1 ASP 143.A O no hydrogen 3.100 N/A ARG 157.A NH1 SER 176.A O no hydrogen 2.995 N/A ARG 157.A NH2 SER 174.A O no hydrogen 3.203 N/A ARG 157.A NH2 SER 176.A O no hydrogen 3.114 N/A LEU 160.A N HIS 156.A O no hydrogen 3.168 N/A ALA 161.A N ARG 157.A O no hydrogen 2.955 N/A ALA 162.A N VAL 159.A O no hydrogen 2.963 N/A SER 163.A N LEU 160.A O no hydrogen 3.172 N/A SER 164.A N LEU 160.A O no hydrogen 3.013 N/A SER 164.A OG LEU 215.A O no hydrogen 2.802 N/A SER 165.A N GLN 216.A O no hydrogen 3.194 N/A TYR 166.A N LEU 215.A O no hydrogen 3.172 N/A PHE 167.A N SER 164.A OG no hydrogen 2.843 N/A ARG 168.A N SER 164.A O no hydrogen 2.891 N/A ASP 169.A N SER 165.A O no hydrogen 2.959 N/A LEU 170.A N TYR 166.A O no hydrogen 2.827 N/A PHE 171.A N PHE 167.A O no hydrogen 2.851 N/A ASN 172.A N ARG 168.A O no hydrogen 2.979 N/A ASN 173.A N LEU 170.A O no hydrogen 3.073 N/A ASN 173.A ND2 ASP 169.A O no hydrogen 2.756 N/A SER 174.A N LEU 170.A O no hydrogen 2.962 N/A SER 176.A OG VAL 178.A O no hydrogen 3.096 N/A VAL 178.A N SER 176.A OG no hydrogen 3.399 N/A VAL 179.A N SER 145.A O no hydrogen 3.087 N/A VAL 185.A N PRO 182.A O no hydrogen 2.843 N/A PHE 190.A N GLN 186.A O no hydrogen 2.985 N/A GLN 191.A N PRO 187.A O no hydrogen 2.946 N/A GLN 192.A N GLN 188.A O no hydrogen 3.210 N/A ILE 193.A N SER 189.A O no hydrogen 3.131 N/A LEU 194.A N PHE 190.A O no hydrogen 2.725 N/A SER 195.A N GLN 191.A O no hydrogen 2.933 N/A PHE 196.A N GLN 192.A O no hydrogen 3.088 N/A CYS 197.A N ILE 193.A O no hydrogen 2.951 N/A CYS 197.A SG ILE 193.A O no hydrogen 3.512 N/A TYR 198.A N LEU 194.A O no hydrogen 3.213 N/A TYR 198.A N SER 195.A O no hydrogen 3.173 N/A TYR 198.A OH HIS 156.A ND1 no hydrogen 2.616 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.788 N/A GLY 200.A N PHE 196.A O no hydrogen 2.990 N/A ARG 201.A N THR 199.A OG1 no hydrogen 3.276 N/A LEU 202.A N SER 1.A O no hydrogen 3.050 N/A ASP 206.A N ASP 204.A OD1 no hydrogen 3.037 N/A MET 209.A N GLN 205.A O no hydrogen 3.300 N/A TYR 210.A N ASP 206.A O no hydrogen 2.971 N/A THR 211.A N LEU 207.A O no hydrogen 3.016 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.558 N/A ALA 212.A N LEU 208.A O no hydrogen 2.868 N/A GLY 213.A N MET 209.A O no hydrogen 2.807 N/A PHE 214.A N TYR 210.A O no hydrogen 2.931 N/A LEU 215.A N THR 211.A O no hydrogen 2.866 N/A GLN 216.A N GLY 213.A O no hydrogen 3.053 N/A ILE 217.A N ALA 212.A O no hydrogen 2.958 N/A ILE 220.A N ILE 217.A O no hydrogen 3.372 N/A MET 221.A N GLN 218.A O no hydrogen 2.943 N/A GLU 222.A N GLU 219.A O no hydrogen 3.024 N/A