Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N GLN 7.A OE1 no hydrogen 2.889 N/A GLN 7.A N ASN 4.A OD1 no hydrogen 2.854 N/A MET 8.A N ASN 4.A O no hydrogen 2.975 N/A GLU 9.A N GLU 5.A O no hydrogen 2.973 N/A ARG 10.A N ARG 6.A O no hydrogen 3.010 N/A ARG 11.A N GLN 7.A O no hydrogen 3.035 N/A ARG 11.A NE GLY 197.A O no hydrogen 2.805 N/A ARG 11.A NH1 SER 133.A OG no hydrogen 2.908 N/A ARG 11.A NH1 ASP 135.A OD1 no hydrogen 2.706 N/A ARG 11.A NH1 ASP 135.A OD2 no hydrogen 3.447 N/A ARG 11.A NH2 ASP 135.A OD2 no hydrogen 2.786 N/A ARG 11.A NH2 LYS 198.A O no hydrogen 3.113 N/A LYS 12.A N MET 8.A O no hydrogen 2.906 N/A LYS 12.A NZ ASP 196.A OD1 no hydrogen 3.079 N/A ASN 13.A N GLU 9.A O no hydrogen 2.846 N/A THR 14.A N ARG 10.A O no hydrogen 2.790 N/A THR 14.A OG1 ARG 10.A O no hydrogen 2.764 N/A CYS 15.A N ARG 11.A O no hydrogen 2.957 N/A CYS 15.A SG ARG 11.A O no hydrogen 3.386 N/A GLU 16.A N LYS 12.A O no hydrogen 2.923 N/A ILE 17.A N ASN 13.A O no hydrogen 3.132 N/A LEU 18.A N THR 14.A O no hydrogen 2.975 N/A LEU 19.A N CYS 15.A O no hydrogen 2.923 N/A SER 20.A N GLU 16.A O no hydrogen 2.908 N/A SER 20.A OG GLU 16.A O no hydrogen 3.156 N/A SER 20.A OG ILE 17.A O no hydrogen 3.194 N/A ARG 21.A N ILE 17.A O no hydrogen 3.035 N/A ARG 21.A NH1 GLU 125.A OE1 no hydrogen 2.733 N/A ARG 21.A NH1 GLU 125.A OE2 no hydrogen 3.500 N/A ARG 21.A NH2 GLU 125.A OE2 no hydrogen 2.826 N/A TYR 22.A N LEU 18.A O no hydrogen 2.800 N/A LYS 23.A N LEU 19.A O no hydrogen 2.932 N/A LYS 23.A NZ GLU 190.A OE1 no hydrogen 3.440 N/A ARG 24.A N SER 20.A O no hydrogen 3.199 N/A LYS 25.A N ARG 21.A O no hydrogen 2.943 N/A ARG 30.A N PHE 27.A O no hydrogen 2.967 N/A ARG 30.A NH1 ARG 99.A O no hydrogen 2.751 N/A ILE 31.A N LEU 28.A O no hydrogen 3.232 N/A VAL 32.A N ILE 101.A O no hydrogen 2.897 N/A THR 33.A N TRP 53.A O no hydrogen 2.889 N/A THR 33.A OG1 LEU 103.A O no hydrogen 2.688 N/A GLY 34.A N LEU 103.A O no hydrogen 3.272 N/A ASP 35.A N VAL 51.A O no hydrogen 3.108 N/A LYS 37.A N LEU 49.A O no hydrogen 2.818 N/A ILE 39.A N THR 47.A O no hydrogen 2.828 N/A PHE 41.A N LYS 45.A O no hydrogen 2.957 N/A THR 47.A N ILE 39.A O no hydrogen 2.768 N/A THR 47.A OG1 LEU 64.A O no hydrogen 2.396 N/A LEU 49.A N LYS 37.A O no hydrogen 2.799 N/A CYS 50.A N GLU 62.A O no hydrogen 2.813 N/A CYS 50.A SG MET 48.A O.B no hydrogen 3.773 N/A VAL 51.A N ASP 35.A O no hydrogen 3.114 N/A TRP 52.A N TYR 60.A O no hydrogen 3.023 N/A TRP 53.A N THR 33.A O no hydrogen 2.819 N/A TRP 53.A NE1 SER 139.A OG no hydrogen 2.959 N/A ASP 54.A N GLY 57.A O no hydrogen 3.077 N/A SER 56.A N ASP 54.A OD1 no hydrogen 2.897 N/A GLY 57.A N ASP 54.A O no hydrogen 3.136 N/A ILE 59.A N TRP 52.A O no hydrogen 2.917 N/A TYR 60.A N TRP 52.A O no hydrogen 3.425 N/A TYR 60.A OH GLU 62.A OE2 no hydrogen 2.444 N/A TYR 61.A OH ASP 167.A OD1 no hydrogen 2.612 N/A GLU 62.A N CYS 50.A O no hydrogen 2.853 N/A LEU 64.A N MET 48.A O.A no hydrogen 2.842 N/A LEU 64.A N MET 48.A O.B no hydrogen 3.074 N/A LYS 65.A N GLU 68.A OE2 no hydrogen 3.312 N/A GLY 67.A N LYS 46.A O no hydrogen 2.730 N/A GLU 68.A N LYS 65.A O no hydrogen 2.992 N/A ARG 74.A N ASN 71.A OD1 no hydrogen 2.874 N/A TYR 75.A N ASN 71.A O no hydrogen 2.915 N/A TYR 75.A OH HIS 104.A ND1 no hydrogen 2.687 N/A GLN 76.A N ALA 72.A O no hydrogen 3.044 N/A GLN 76.A NE2 THR 118.A OG1 no hydrogen 2.837 N/A GLN 77.A N ALA 73.A O no hydrogen 3.140 N/A GLN 77.A NE2 ASN 81.A OD1 no hydrogen 3.247 N/A GLN 78.A N ARG 74.A O no hydrogen 2.927 N/A GLN 78.A NE2 GLU 62.A OE1 no hydrogen 2.964 N/A LEU 79.A N TYR 75.A O no hydrogen 2.941 N/A ILE 80.A N GLN 76.A O no hydrogen 3.100 N/A ASN 81.A N GLN 77.A O no hydrogen 2.951 N/A ASN 81.A ND2 GLU 62.A OE2 no hydrogen 3.554 N/A LEU 82.A N GLN 78.A O no hydrogen 2.813 N/A ASN 83.A N LEU 79.A O no hydrogen 2.986 N/A ARG 84.A N ILE 80.A O no hydrogen 3.268 N/A ALA 85.A N ASN 81.A O no hydrogen 3.116 N/A LEU 86.A N LEU 82.A O no hydrogen 2.893 N/A GLN 87.A N ASN 83.A O no hydrogen 3.016 N/A GLN 87.A NE2 ASN 83.A OD1 no hydrogen 3.336 N/A ARG 88.A N ARG 84.A O no hydrogen 3.185 N/A LYS 89.A N ALA 85.A O no hydrogen 2.883 N/A LYS 89.A NZ.B VAL 58.A O no hydrogen 3.288 N/A LYS 89.A NZ.B ILE 59.A O no hydrogen 3.102 N/A ARG 90.A N LEU 86.A O no hydrogen 2.805 N/A ARG 90.A NE ASP 54.A OD1 no hydrogen 3.273 N/A ARG 90.A NE ASP 54.A OD2 no hydrogen 2.819 N/A ARG 90.A NH1 LYS 89.A O no hydrogen 3.064 N/A ARG 90.A NH2 ASP 54.A OD1 no hydrogen 2.870 N/A GLU 92.A N GLU 92.A OE2 no hydrogen 2.730 N/A TYR 93.A N ARG 90.A O no hydrogen 2.769 N/A GLN 94.A N ARG 90.A O no hydrogen 3.214 N/A LYS 95.A N PRO 91.A O no hydrogen 3.077 N/A ARG 96.A N TYR 93.A O no hydrogen 3.063 N/A ARG 96.A NH1 GLN 87.A OE1 no hydrogen 3.373 N/A ARG 96.A NH1 TYR 93.A O no hydrogen 2.473 N/A GLN 97.A N GLU 92.A O no hydrogen 3.282 N/A ARG 99.A NE ASN 123.A O no hydrogen 2.999 N/A ILE 101.A N ARG 30.A O no hydrogen 2.965 N/A PHE 102.A N GLU 125.A O no hydrogen 2.699 N/A LEU 103.A N VAL 32.A O no hydrogen 2.877 N/A HIS 104.A ND1 TYR 75.A OH no hydrogen 2.687 N/A ASN 106.A ND2 HIS 129.A O no hydrogen 2.812 N/A ALA 107.A N ASP 105.A OD1 no hydrogen 3.343 N/A HIS 110.A N ALA 107.A O no hydrogen 2.829 N/A HIS 110.A ND1 ASP 105.A O no hydrogen 2.828 N/A HIS 110.A NE2 GLU 36.A OE1 no hydrogen 2.716 N/A THR 111.A N PRO 108.A O no hydrogen 3.005 N/A THR 111.A OG1 PRO 108.A O no hydrogen 3.418 N/A ARG 116.A N ALA 112.A O no hydrogen 2.920 N/A ARG 116.A NE THR 111.A O no hydrogen 2.777 N/A ASP 117.A N ARG 113.A O no hydrogen 2.971 N/A THR 118.A N ALA 114.A O no hydrogen 3.040 N/A THR 118.A OG1 ALA 114.A O no hydrogen 3.081 N/A LEU 119.A N VAL 115.A O no hydrogen 2.896 N/A GLU 120.A N ARG 116.A O no hydrogen 3.037 N/A THR 121.A N ASP 117.A O no hydrogen 2.852 N/A THR 121.A OG1 ASP 117.A O no hydrogen 3.141 N/A LEU 122.A N THR 118.A O no hydrogen 2.839 N/A ASN 123.A N LEU 119.A O no hydrogen 2.842 N/A ASN 123.A ND2 GLU 120.A O no hydrogen 3.176 N/A TRP 124.A N LEU 119.A O no hydrogen 3.354 N/A GLU 125.A N VAL 100.A O no hydrogen 2.903 N/A LEU 127.A N PHE 102.A O no hydrogen 2.992 N/A SER 133.A OG ALA 130.A O no hydrogen 3.088 N/A SER 133.A OG ALA 131.A O no hydrogen 3.009 N/A LEU 136.A N SER 133.A O no hydrogen 2.958 N/A ALA 137.A N PRO 134.A O no hydrogen 3.153 N/A ASP 140.A N ALA 137.A O no hydrogen 2.877 N/A TYR 141.A N ALA 137.A O no hydrogen 2.987 N/A TYR 141.A OH GLY 181.A O no hydrogen 2.670 N/A HIS 142.A N PRO 138.A O no hydrogen 2.994 N/A HIS 142.A NE2 PHE 177.A O no hydrogen 2.674 N/A LEU 143.A N PRO 138.A O no hydrogen 3.128 N/A PHE 144.A N SER 139.A O no hydrogen 2.707 N/A SER 146.A N HIS 142.A O no hydrogen 3.181 N/A MET 147.A N LEU 143.A O no hydrogen 2.956 N/A GLY 148.A N PHE 144.A O no hydrogen 2.699 N/A LEU 151.A N MET 147.A O no hydrogen 2.845 N/A ALA 152.A N GLY 148.A O no hydrogen 3.174 N/A GLU 153.A N ALA 150.A O no hydrogen 3.209 N/A GLN 154.A N LEU 151.A O no hydrogen 2.897 N/A ARG 155.A NH1 ALA 152.A O no hydrogen 3.031 N/A ARG 155.A NH1 GLN 154.A O no hydrogen 2.968 N/A ASP 157.A N SER 161.A OG no hydrogen 3.401 N/A SER 158.A N SER 161.A OG no hydrogen 3.028 N/A SER 158.A OG SER 161.A OG no hydrogen 3.266 N/A TYR 159.A OH LEU 63.A O no hydrogen 2.725 N/A SER 161.A N SER 158.A O no hydrogen 3.100 N/A SER 161.A N SER 158.A OG no hydrogen 2.958 N/A SER 161.A OG SER 158.A O no hydrogen 2.698 N/A SER 161.A OG SER 158.A OG no hydrogen 3.266 N/A VAL 162.A N SER 158.A O no hydrogen 3.308 N/A LYS 163.A N TYR 159.A O no hydrogen 3.231 N/A LYS 163.A NZ TYR 159.A OH no hydrogen 3.402 N/A LYS 164.A N GLU 160.A O no hydrogen 3.155 N/A LYS 164.A NZ GLU 168.A OE2 no hydrogen 3.302 N/A TRP 165.A N SER 161.A O no hydrogen 2.837 N/A LEU 166.A N VAL 162.A O no hydrogen 2.791 N/A ASP 167.A N LYS 163.A O no hydrogen 2.824 N/A GLU 168.A N LYS 164.A O no hydrogen 2.950 N/A TRP 169.A N TRP 165.A O no hydrogen 2.863 N/A PHE 170.A N LEU 166.A O no hydrogen 2.808 N/A ALA 171.A N ASP 167.A O no hydrogen 3.198 N/A ALA 172.A N GLU 168.A O no hydrogen 2.956 N/A LYS 173.A NZ SER 146.A OG no hydrogen 3.083 N/A PHE 177.A N ASP 174.A O no hydrogen 3.019 N/A TYR 178.A OH PHE 170.A O no hydrogen 2.745 N/A TRP 179.A N ASP 175.A O no hydrogen 3.028 N/A ARG 180.A N GLU 176.A O no hydrogen 2.889 N/A GLY 181.A N PHE 177.A O no hydrogen 3.230 N/A ILE 182.A N TYR 178.A O no hydrogen 3.278 N/A HIS 183.A N TRP 179.A O no hydrogen 2.922 N/A HIS 183.A NE2 GLN 55.A OE1 no hydrogen 2.933 N/A LYS 184.A N ARG 180.A O no hydrogen 2.940 N/A LYS 184.A NZ HIS 142.A ND1 no hydrogen 3.101 N/A LEU 185.A N ILE 182.A O no hydrogen 3.142 N/A ARG 188.A N LYS 184.A O no hydrogen 3.203 N/A ARG 188.A NH1 ASP 135.A O no hydrogen 2.977 N/A TRP 189.A N LEU 185.A O no hydrogen 2.783 N/A GLU 190.A N PRO 186.A O no hydrogen 2.898 N/A LYS 191.A N GLU 187.A O no hydrogen 2.973 N/A LYS 191.A NZ GLU 201.A OXT no hydrogen 3.231 N/A CYS 192.A N ARG 188.A O no hydrogen 2.912 N/A VAL 193.A N TRP 189.A O no hydrogen 2.951 N/A ALA 194.A N GLU 190.A O no hydrogen 2.875 N/A SER 195.A N.A LYS 191.A O no hydrogen 2.863 N/A SER 195.A N.B LYS 191.A O no hydrogen 2.872 N/A SER 195.A N.B CYS 192.A O no hydrogen 3.227 N/A SER 195.A OG.A LYS 191.A O no hydrogen 2.993 N/A SER 195.A OG.B LYS 191.A O no hydrogen 3.265 N/A SER 195.A OG.B CYS 192.A O no hydrogen 2.888 N/A SER 195.A OG.B LYS 198.A O no hydrogen 2.831 N/A ASP 196.A N VAL 193.A O no hydrogen 2.921 N/A GLY 197.A N CYS 192.A O no hydrogen 2.877 N/A LYS 198.A N SER 195.A O.A no hydrogen 2.987 N/A LYS 198.A N SER 195.A O.B no hydrogen 3.012 N/A LYS 198.A NZ SER 195.A O.A no hydrogen 2.966 N/A LYS 198.A NZ SER 195.A O.B no hydrogen 2.937 N/A TYR 199.A OH TYR 132.A O no hydrogen 2.789 N/A