Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kmo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 55.A O no hydrogen 2.904 N/A VAL 4.A N LYS 28.A O no hydrogen 2.870 N/A VAL 5.A N LYS 53.A O no hydrogen 2.895 N/A TYR 6.A N GLU 30.A O no hydrogen 3.335 N/A ARG 10.A N PRO 201.A O no hydrogen 2.788 N/A ARG 10.A NE TYR 197.A O no hydrogen 2.893 N/A ARG 10.A NH2 TYR 197.A O no hydrogen 3.151 N/A ARG 10.A NH2 VAL 198.A O no hydrogen 3.180 N/A GLY 11.A N ILE 202.A O no hydrogen 2.821 N/A ARG 12.A N TYR 6.A OH no hydrogen 3.028 N/A ARG 12.A NH1 GLU 96.A OE1 no hydrogen 2.951 N/A ARG 12.A NH1 GLU 96.A OE2 no hydrogen 3.256 N/A ARG 12.A NH2 GLU 96.A OE2 no hydrogen 2.849 N/A CYS 13.A N ARG 10.A O no hydrogen 3.003 N/A ALA 14.A N ARG 10.A O no hydrogen 2.864 N/A ALA 14.A N GLY 11.A O no hydrogen 3.184 N/A ARG 17.A N CYS 13.A O no hydrogen 2.827 N/A ARG 17.A NH1 VAL 9.A O no hydrogen 3.224 N/A ARG 17.A NH2 GLU 29.A OE1 no hydrogen 3.149 N/A MET 18.A N ALA 14.A O no hydrogen 2.954 N/A LEU 19.A N ALA 15.A O no hydrogen 2.907 N/A LEU 20.A N LEU 16.A O no hydrogen 2.983 N/A ALA 21.A N ARG 17.A O no hydrogen 2.927 N/A ASP 22.A N MET 18.A O no hydrogen 2.919 N/A GLN 23.A N LEU 19.A O no hydrogen 2.952 N/A GLN 23.A NE2 TYR 152.A OH no hydrogen 2.785 N/A GLY 24.A N ALA 21.A O no hydrogen 3.085 N/A GLN 25.A N LEU 20.A O no hydrogen 2.715 N/A GLN 25.A NE2 GLN 23.A O no hydrogen 3.596 N/A TRP 27.A NE1 GLU 29.A OE2 no hydrogen 2.810 N/A LYS 28.A N TYR 2.A O no hydrogen 2.931 N/A LYS 28.A NZ GLU 30.A OE1 no hydrogen 2.769 N/A GLU 30.A N VAL 4.A O no hydrogen 2.951 N/A VAL 32.A N TYR 6.A O no hydrogen 3.033 N/A THR 33.A OG1 THR 36.A OG1 no hydrogen 2.269 N/A THR 36.A N THR 33.A OG1 no hydrogen 3.288 N/A THR 36.A OG1 THR 33.A OG1 no hydrogen 2.269 N/A TRP 37.A N THR 33.A O no hydrogen 2.936 N/A GLN 38.A N VAL 34.A O no hydrogen 3.008 N/A GLU 39.A N THR 36.A O no hydrogen 2.959 N/A GLY 40.A N TRP 37.A O no hydrogen 3.107 N/A SER 41.A N GLU 39.A OE1 no hydrogen 3.163 N/A SER 41.A OG GLU 39.A OE1 no hydrogen 2.310 N/A SER 41.A OG GLU 39.A OE2 no hydrogen 3.249 N/A LYS 43.A NZ GLY 49.A O no hydrogen 2.887 N/A ALA 44.A N GLY 40.A O no hydrogen 2.744 N/A SER 45.A N SER 41.A O no hydrogen 3.044 N/A SER 45.A OG SER 41.A O no hydrogen 3.507 N/A SER 45.A OG LEU 42.A O no hydrogen 3.410 N/A SER 46.A N LYS 43.A O no hydrogen 3.145 N/A SER 46.A OG LEU 42.A O no hydrogen 3.170 N/A GLY 49.A N SER 46.A O no hydrogen 3.140 N/A LYS 53.A N VAL 5.A O no hydrogen 2.993 N/A PHE 54.A N LEU 61.A O no hydrogen 2.992 N/A GLN 55.A N THR 3.A O no hydrogen 2.972 N/A ASP 56.A N LEU 59.A O no hydrogen 2.920 N/A GLY 57.A N PRO 1.A O no hydrogen 3.003 N/A LEU 59.A N ASP 56.A O no hydrogen 2.801 N/A LEU 61.A N PHE 54.A O no hydrogen 2.908 N/A ASN 65.A ND2 GLU 96.A OE1 no hydrogen 2.933 N/A ILE 67.A N GLN 63.A O no hydrogen 3.005 N/A LEU 68.A N SER 64.A O no hydrogen 3.096 N/A ARG 69.A N ASN 65.A O no hydrogen 2.981 N/A ARG 69.A NE TYR 78.A OH no hydrogen 3.433 N/A ARG 69.A NE ASP 89.A OD1 no hydrogen 2.826 N/A ARG 69.A NH2 ASP 89.A OD1 no hydrogen 2.875 N/A ARG 69.A NH2 ASP 93.A OD1 no hydrogen 3.131 N/A HIS 70.A N THR 66.A O no hydrogen 2.976 N/A HIS 70.A NE2 ASP 56.A OD2 no hydrogen 3.018 N/A LEU 71.A N ILE 67.A O no hydrogen 2.823 N/A GLY 72.A N LEU 68.A O no hydrogen 2.683 N/A ARG 73.A N ARG 69.A O no hydrogen 2.779 N/A THR 74.A N HIS 70.A O no hydrogen 2.948 N/A THR 74.A OG1 HIS 70.A O no hydrogen 3.174 N/A THR 74.A OG1 LEU 71.A O no hydrogen 3.406 N/A LEU 75.A N LEU 71.A O no hydrogen 2.692 N/A LEU 77.A N GLY 72.A O no hydrogen 2.802 N/A TYR 78.A OH ASP 89.A OD1 no hydrogen 2.612 N/A TYR 78.A OH ASP 89.A OD2 no hydrogen 3.219 N/A LYS 80.A N GLU 84.A OE1 no hydrogen 3.004 N/A GLU 84.A N ASP 81.A OD2 no hydrogen 2.895 N/A ALA 85.A N ASP 81.A O no hydrogen 3.003 N/A ALA 86.A N GLN 82.A O no hydrogen 2.981 N/A LEU 87.A N GLN 83.A O no hydrogen 3.048 N/A VAL 88.A N GLU 84.A O no hydrogen 2.735 N/A ASP 89.A N ALA 85.A O no hydrogen 2.994 N/A MET 90.A N ALA 86.A O no hydrogen 2.832 N/A VAL 91.A N LEU 87.A O no hydrogen 3.111 N/A ASN 92.A N VAL 88.A O no hydrogen 2.995 N/A ASN 92.A ND2 ASN 65.A OD1 no hydrogen 3.185 N/A ASP 93.A N ASP 89.A O no hydrogen 2.922 N/A GLY 94.A N MET 90.A O no hydrogen 3.082 N/A VAL 95.A N VAL 91.A O no hydrogen 2.884 N/A GLU 96.A N ASN 92.A O no hydrogen 2.798 N/A ASP 97.A N ASP 93.A O no hydrogen 3.014 N/A LEU 98.A N GLY 94.A O no hydrogen 3.371 N/A ARG 99.A N VAL 95.A O no hydrogen 2.924 N/A ARG 99.A NH1 ASP 156.A OD2 no hydrogen 3.091 N/A ARG 99.A NH2 ASN 153.A OD1 no hydrogen 2.921 N/A ARG 99.A NH2 ASP 156.A OD2 no hydrogen 2.880 N/A CYS 100.A N.A GLU 96.A O no hydrogen 3.034 N/A CYS 100.A N.B GLU 96.A O no hydrogen 3.032 N/A CYS 100.A SG.A GLU 96.A O no hydrogen 3.042 N/A CYS 100.A SG.A GLU 96.A OE2 no hydrogen 3.180 N/A LYS 101.A N ASP 97.A O no hydrogen 3.191 N/A TYR 102.A N LEU 98.A O no hydrogen 2.938 N/A ILE 103.A N ARG 99.A O no hydrogen 2.800 N/A SER 104.A N CYS 100.A O.A no hydrogen 2.926 N/A SER 104.A N CYS 100.A O.B no hydrogen 3.160 N/A SER 104.A OG CYS 100.A O.A no hydrogen 2.875 N/A SER 104.A OG CYS 100.A O.B no hydrogen 2.694 N/A SER 104.A OG LYS 101.A O no hydrogen 3.449 N/A LEU 105.A N LYS 101.A O no hydrogen 3.169 N/A ILE 106.A N TYR 102.A O no hydrogen 2.889 N/A VAL 107.A N ILE 103.A O no hydrogen 2.771 N/A THR 108.A N SER 104.A O no hydrogen 2.804 N/A THR 108.A OG1 SER 104.A O no hydrogen 2.638 N/A ASN 109.A N LEU 105.A O no hydrogen 3.327 N/A TYR 110.A OH GLN 208.A O no hydrogen 2.907 N/A GLY 113.A N ASN 109.A O no hydrogen 3.057 N/A LYS 114.A N TYR 110.A O no hydrogen 3.023 N/A LYS 114.A NZ TYR 110.A OH no hydrogen 2.689 N/A LYS 114.A NZ LEU 164.A O no hydrogen 3.483 N/A TYR 117.A N GLY 113.A O no hydrogen 3.055 N/A TYR 117.A OH HIS 161.A NE2 no hydrogen 2.813 N/A VAL 118.A N LYS 114.A O no hydrogen 2.774 N/A LYS 119.A N ASP 115.A O no hydrogen 3.132 N/A ALA 120.A N ASP 116.A O no hydrogen 3.067 N/A LEU 121.A N TYR 117.A O no hydrogen 2.941 N/A LEU 121.A N VAL 118.A O no hydrogen 3.271 N/A GLN 124.A N ALA 120.A O no hydrogen 3.353 N/A LEU 125.A N LEU 121.A O no hydrogen 2.858 N/A LEU 125.A N PRO 122.A O no hydrogen 2.949 N/A LYS 126.A N PRO 122.A O no hydrogen 2.842 N/A PHE 128.A N LEU 125.A O no hydrogen 3.030 N/A GLU 129.A N LEU 125.A O no hydrogen 3.419 N/A THR 130.A N LYS 126.A O no hydrogen 2.860 N/A THR 130.A OG1 LYS 126.A O no hydrogen 3.321 N/A LEU 131.A N PRO 127.A O no hydrogen 2.890 N/A LEU 132.A N PHE 128.A O no hydrogen 2.961 N/A SER 133.A N GLU 129.A O no hydrogen 2.711 N/A SER 133.A OG THR 130.A O no hydrogen 2.689 N/A GLN 134.A N THR 130.A O no hydrogen 3.154 N/A GLN 134.A N LEU 131.A O no hydrogen 3.256 N/A ASN 135.A N LEU 132.A O no hydrogen 2.880 N/A ASN 135.A ND2 PHE 141.A O no hydrogen 2.672 N/A ASN 135.A ND2 GLY 144.A O no hydrogen 3.310 N/A GLY 138.A N ASN 135.A O no hydrogen 3.043 N/A LYS 139.A N GLN 136.A O no hydrogen 3.156 N/A THR 140.A OG1 GLN 136.A OE1 no hydrogen 3.485 N/A ILE 142.A N ASP 151.A OD1 no hydrogen 3.131 N/A SER 148.A N ASP 151.A OD2 no hydrogen 3.120 N/A PHE 149.A N LEU 77.A O no hydrogen 3.069 N/A ASP 151.A N SER 148.A O no hydrogen 2.817 N/A TYR 152.A OH ASP 22.A OD2 no hydrogen 2.666 N/A ASN 153.A N PHE 149.A O no hydrogen 3.225 N/A ASN 153.A ND2 ASN 92.A OD1 no hydrogen 2.854 N/A LEU 154.A N ALA 150.A O no hydrogen 2.741 N/A LEU 155.A N ASP 151.A O no hydrogen 2.659 N/A ASP 156.A N TYR 152.A O no hydrogen 2.944 N/A LEU 157.A N ASN 153.A O no hydrogen 3.115 N/A LEU 158.A N LEU 154.A O no hydrogen 2.917 N/A LEU 158.A N LEU 155.A O no hydrogen 3.236 N/A LEU 159.A N LEU 155.A O no hydrogen 3.092 N/A ILE 160.A N ASP 156.A O no hydrogen 3.032 N/A HIS 161.A N LEU 157.A O no hydrogen 3.216 N/A HIS 161.A ND1 LEU 157.A O no hydrogen 2.655 N/A HIS 161.A NE2 TYR 117.A OH no hydrogen 2.813 N/A GLU 162.A N LEU 158.A O no hydrogen 2.851 N/A VAL 163.A N LEU 159.A O no hydrogen 3.363 N/A LEU 164.A N ILE 160.A O no hydrogen 3.022 N/A ALA 165.A N HIS 161.A O no hydrogen 2.921 N/A GLY 167.A N GLU 162.A OE1 no hydrogen 2.704 N/A CYS 168.A N ALA 165.A O no hydrogen 2.975 N/A CYS 168.A SG HIS 161.A O no hydrogen 3.366 N/A CYS 168.A SG ALA 165.A O no hydrogen 3.256 N/A LEU 169.A N GLU 162.A OE2 no hydrogen 3.054 N/A ASP 170.A N GLY 167.A O no hydrogen 3.153 N/A PHE 172.A N LEU 169.A O no hydrogen 3.240 N/A LEU 174.A N GLU 129.A OE2 no hydrogen 2.901 N/A LEU 175.A N GLU 129.A OE1 no hydrogen 2.695 N/A SER 176.A N PHE 172.A O no hydrogen 2.886 N/A ALA 177.A N PRO 173.A O no hydrogen 2.967 N/A TYR 178.A N LEU 174.A O no hydrogen 2.996 N/A TYR 178.A OH ASP 151.A OD1 no hydrogen 2.303 N/A VAL 179.A N LEU 175.A O no hydrogen 3.138 N/A ARG 181.A N ALA 177.A O no hydrogen 2.725 N/A ARG 181.A NH2 GLY 138.A O no hydrogen 3.097 N/A ARG 181.A NH2 THR 140.A O no hydrogen 2.824 N/A LEU 182.A N TYR 178.A O no hydrogen 2.892 N/A SER 183.A N VAL 179.A O no hydrogen 3.225 N/A SER 183.A OG VAL 179.A O no hydrogen 2.550 N/A ALA 184.A N GLY 180.A O no hydrogen 3.136 N/A ALA 184.A N ARG 181.A O no hydrogen 3.229 N/A ARG 185.A N LEU 182.A O no hydrogen 3.160 N/A ARG 185.A NE ASP 22.A OD1 no hydrogen 3.347 N/A ARG 185.A NE ASP 22.A OD2 no hydrogen 2.940 N/A ARG 185.A NH2 ASP 22.A OD2 no hydrogen 3.107 N/A LYS 189.A N ARG 185.A O no hydrogen 2.713 N/A ALA 190.A N PRO 186.A O no hydrogen 3.267 N/A PHE 191.A N LYS 187.A O no hydrogen 3.383 N/A LEU 192.A N LEU 188.A O no hydrogen 2.721 N/A ALA 193.A N LYS 189.A O no hydrogen 3.183 N/A ALA 193.A N ALA 190.A O no hydrogen 3.050 N/A SER 194.A N PHE 191.A O no hydrogen 2.958 N/A SER 194.A OG PHE 191.A O no hydrogen 2.603 N/A TYR 197.A N SER 194.A O no hydrogen 3.190 N/A VAL 198.A N SER 194.A O no hydrogen 2.969 N/A ASN 199.A N PRO 195.A O no hydrogen 2.880 N/A LEU 200.A N TYR 197.A O no hydrogen 3.318 N/A ASN 203.A ND2 TYR 102.A OH no hydrogen 3.281 N/A ASN 203.A ND2 LYS 207.A O no hydrogen 2.705 N/A ASN 205.A ND2 ILE 106.A O no hydrogen 2.888 N/A LYS 207.A N ASN 205.A OD1 no hydrogen 2.861 N/A LYS 207.A NZ GLU 111.A OE1 no hydrogen 3.326 N/A LYS 207.A NZ GLU 111.A OE2 no hydrogen 2.831 N/A