Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ms8_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ARG 22.A O no hydrogen 2.884 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 2.926 N/A GLN 4.A NE2 SER 104.A OG no hydrogen 3.076 N/A SER 5.A N SER 20.A O no hydrogen 2.894 N/A ARG 7.A NE GLY 103.A O no hydrogen 3.359 N/A ASN 8.A ND2 GLU 151.A OE2 no hydrogen 3.336 N/A LYS 9.A N LYS 105.A O no hydrogen 2.903 N/A THR 11.A N THR 107.A O no hydrogen 2.898 N/A THR 11.A OG1 VAL 12.A O no hydrogen 3.175 N/A THR 13.A N LEU 109.A O no hydrogen 2.838 N/A THR 13.A OG1 LEU 109.A O no hydrogen 3.403 N/A GLY 14.A N ALA 79.A O no hydrogen 2.596 N/A GLY 15.A N VAL 12.A O no hydrogen 2.920 N/A VAL 17.A N LEU 76.A O no hydrogen 2.892 N/A LEU 19.A N LEU 74.A O no hydrogen 2.806 N/A SER 20.A N SER 5.A O no hydrogen 2.821 N/A CYS 21.A N PHE 72.A O no hydrogen 3.027 N/A ARG 22.A N THR 3.A O no hydrogen 2.910 N/A ARG 22.A NE ASP 71.A OD1 no hydrogen 2.802 N/A ARG 22.A NH2 ASP 71.A OD2 no hydrogen 3.464 N/A GLN 23.A N GLU 70.A O no hydrogen 2.891 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 3.049 N/A GLN 23.A NE2 GLN 69.A O no hydrogen 2.944 N/A SER 26.A OG THR 24.A O no hydrogen 3.477 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.003 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.721 N/A MET 30.A N SER 47.A O no hydrogen 2.886 N/A TYR 31.A N ALA 90.A O no hydrogen 2.855 N/A TRP 32.A N HIS 45.A O no hydrogen 2.937 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 3.228 N/A TYR 33.A N PHE 88.A O no hydrogen 2.832 N/A ARG 34.A N ARG 42.A O no hydrogen 3.041 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.857 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.128 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 2.959 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.370 N/A ARG 34.A NH2 SER 82.A O no hydrogen 3.020 N/A GLN 35.A N LEU 86.A O no hydrogen 2.838 N/A ASP 36.A N GLY 40.A O no hydrogen 3.152 N/A HIS 39.A N ASP 36.A O no hydrogen 2.761 N/A ARG 42.A N ARG 34.A O no hydrogen 2.882 N/A ARG 42.A NH2 ASP 36.A OD2 no hydrogen 3.159 N/A ILE 44.A N TRP 32.A O no hydrogen 2.763 N/A HIS 45.A NE2 TYR 62.A O no hydrogen 3.082 N/A TYR 46.A N GLN 54.A O no hydrogen 2.896 N/A SER 47.A N MET 30.A O no hydrogen 2.857 N/A SER 47.A OG ASN 52.A O no hydrogen 2.606 N/A TYR 48.A N ASN 52.A OD1 no hydrogen 2.904 N/A GLY 49.A N SER 47.A OG no hydrogen 3.284 N/A GLY 51.A N ARG 66.A O no hydrogen 2.863 N/A ASN 52.A N GLY 49.A O no hydrogen 3.078 N/A GLN 54.A N TYR 46.A O no hydrogen 2.866 N/A GLN 54.A NE2 ASN 52.A OD1 no hydrogen 3.280 N/A GLY 56.A N ILE 44.A O no hydrogen 2.767 N/A ASP 57.A N LEU 43.A O no hydrogen 2.758 N/A VAL 58.A N LEU 43.A O no hydrogen 3.027 N/A TYR 62.A N PRO 59.A O no hydrogen 2.892 N/A TYR 62.A OH TYR 87.A OH no hydrogen 2.567 N/A LYS 63.A N LEU 75.A O no hydrogen 2.902 N/A THR 65.A N PHE 73.A O no hydrogen 3.004 N/A ARG 66.A NE THR 68.A O no hydrogen 3.068 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 2.939 N/A ARG 66.A NH1 SER 47.A O no hydrogen 3.245 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 2.829 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.698 N/A ARG 66.A NH2 GLN 69.A O no hydrogen 3.045 N/A THR 68.A OG1 GLU 70.A OE1 no hydrogen 3.392 N/A THR 68.A OG1 ASP 71.A OD2 no hydrogen 2.789 N/A GLN 69.A NE2 HIS 27.A O no hydrogen 3.112 N/A ASP 71.A N THR 68.A O no hydrogen 3.348 N/A ASP 71.A N THR 68.A OG1 no hydrogen 2.967 N/A PHE 72.A N CYS 21.A O no hydrogen 2.881 N/A PHE 73.A N THR 65.A O no hydrogen 2.904 N/A LEU 74.A N LEU 19.A O no hydrogen 2.931 N/A LEU 75.A N LYS 63.A O no hydrogen 2.807 N/A LEU 76.A N VAL 17.A O no hydrogen 2.850 N/A ALA 79.A N GLY 15.A O no hydrogen 2.669 N/A SER 80.A N GLN 83.A OE1 no hydrogen 2.921 N/A SER 80.A OG SER 82.A OG no hydrogen 3.092 N/A SER 82.A OG SER 80.A OG no hydrogen 3.092 N/A GLN 83.A N SER 80.A O no hydrogen 2.846 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.052 N/A THR 84.A N PRO 81.A O no hydrogen 3.080 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.140 N/A SER 85.A N LEU 106.A O no hydrogen 3.061 N/A SER 85.A OG GLN 35.A O no hydrogen 3.123 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 2.850 N/A SER 85.A OG ASP 36.A OD2 no hydrogen 3.338 N/A TYR 87.A N SER 104.A O no hydrogen 2.898 N/A TYR 87.A OH TYR 62.A OH no hydrogen 2.567 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.612 N/A PHE 88.A N TYR 33.A O no hydrogen 2.814 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 2.894 N/A CYS 89.A SG TYR 31.A O no hydrogen 3.699 N/A ALA 90.A N TYR 31.A O no hydrogen 2.969 N/A SER 91.A N TYR 99.A O no hydrogen 2.974 N/A SER 91.A OG HIS 27.A ND1 no hydrogen 2.721 N/A SER 92.A N TYR 29.A O no hydrogen 2.972 N/A SER 92.A OG GLN 97.A O no hydrogen 2.587 N/A ALA 94.A N SER 92.A OG no hydrogen 3.140 N/A GLN 97.A N ALA 94.A O no hydrogen 2.848 N/A TYR 99.A N SER 91.A O no hydrogen 2.868 N/A GLY 101.A N CYS 89.A O no hydrogen 2.875 N/A SER 104.A N TYR 87.A O no hydrogen 2.853 N/A SER 104.A OG PRO 6.A O no hydrogen 2.593 N/A LYS 105.A N ARG 7.A O no hydrogen 2.796 N/A LYS 105.A NZ ASP 148.A O no hydrogen 2.935 N/A LEU 106.A N SER 85.A O no hydrogen 2.891 N/A THR 107.A N LYS 9.A O no hydrogen 2.931 N/A THR 107.A OG1 HIS 149.A ND1 no hydrogen 2.712 N/A VAL 108.A N THR 84.A OG1 no hydrogen 2.764 N/A LEU 109.A N THR 11.A O no hydrogen 2.861 N/A LYS 113.A N ASP 111.A OD1 no hydrogen 3.123 N/A ASN 114.A N ASP 111.A O no hydrogen 3.128 N/A ASN 114.A ND2 ASP 111.A O no hydrogen 3.625 N/A VAL 115.A N LEU 112.A O no hydrogen 3.315 N/A PHE 116.A N TYR 146.A O no hydrogen 2.829 N/A GLU 119.A N THR 143.A O no hydrogen 2.937 N/A ALA 121.A N LEU 141.A O no hydrogen 2.958 N/A PHE 123.A N VAL 139.A O no hydrogen 2.776 N/A ALA 128.A N GLU 127.A OE2 no hydrogen 2.640 N/A GLU 129.A N SER 126.A OG no hydrogen 3.058 N/A ILE 130.A N SER 126.A O no hydrogen 3.110 N/A SER 131.A N GLU 127.A O no hydrogen 2.892 N/A HIS 132.A N ALA 128.A O no hydrogen 2.904 N/A THR 133.A N GLU 129.A O no hydrogen 2.873 N/A THR 133.A OG1 GLU 129.A O no hydrogen 2.725 N/A GLN 134.A N ILE 130.A O no hydrogen 2.981 N/A LYS 135.A N THR 133.A OG1 no hydrogen 2.956 N/A ALA 136.A N VAL 191.A O no hydrogen 2.863 N/A THR 137.A N GLU 129.A OE1 no hydrogen 2.832 N/A THR 137.A OG1 GLU 129.A OE1 no hydrogen 3.483 N/A THR 137.A OG1 GLU 129.A OE2 no hydrogen 2.632 N/A LEU 138.A N LEU 189.A O no hydrogen 2.854 N/A VAL 139.A N PHE 123.A O no hydrogen 3.053 N/A CYS 140.A N SER 187.A O no hydrogen 2.878 N/A CYS 140.A SG ALA 121.A O no hydrogen 3.902 N/A LEU 141.A N ALA 121.A O no hydrogen 2.949 N/A ALA 142.A N LEU 185.A O no hydrogen 2.884 N/A THR 143.A N GLU 119.A O no hydrogen 2.871 N/A GLY 144.A N GLU 174.A OE2 no hydrogen 2.785 N/A PHE 145.A N TYR 183.A O no hydrogen 3.088 N/A TYR 146.A N PHE 116.A O no hydrogen 2.929 N/A HIS 149.A ND1 THR 107.A OG1 no hydrogen 2.712 N/A HIS 149.A NE2 ASN 8.A OD1 no hydrogen 2.739 N/A GLU 151.A N GLN 208.A O no hydrogen 2.864 N/A SER 153.A N GLN 206.A O no hydrogen 2.890 N/A TRP 154.A NE1 SER 187.A OG no hydrogen 2.950 N/A TRP 155.A N ARG 204.A O no hydrogen 2.885 N/A TRP 155.A NE1 SER 153.A OG no hydrogen 2.940 N/A VAL 156.A N LYS 159.A O no hydrogen 2.848 N/A ASN 157.A N HIS 202.A O no hydrogen 2.855 N/A ASN 157.A ND2 ASN 201.A OD1 no hydrogen 3.061 N/A LYS 159.A N VAL 156.A O no hydrogen 2.955 N/A VAL 161.A N TRP 154.A O no hydrogen 2.946 N/A VAL 165.A N HIS 162.A O no hydrogen 3.290 N/A CYS 166.A N ARG 188.A O no hydrogen 3.043 N/A THR 167.A OG1 SER 187.A OG no hydrogen 2.613 N/A ASP 168.A N SER 186.A O no hydrogen 3.155 N/A LEU 172.A N ALA 184.A O no hydrogen 2.833 N/A LYS 173.A NZ LEU 178.A O no hydrogen 2.832 N/A LYS 173.A NZ ASN 179.A O no hydrogen 3.304 N/A GLU 174.A N ARG 182.A O no hydrogen 2.873 N/A GLN 175.A N SER 181.A OG no hydrogen 2.837 N/A LEU 178.A N GLN 175.A O no hydrogen 2.875 N/A SER 181.A OG ARG 182.A O no hydrogen 2.606 N/A ARG 182.A NH1 GLY 144.A O no hydrogen 3.034 N/A TYR 183.A N PHE 145.A O no hydrogen 2.725 N/A ALA 184.A N LEU 172.A O no hydrogen 2.885 N/A LEU 185.A N ALA 142.A O no hydrogen 2.818 N/A SER 186.A N ASP 168.A OD2 no hydrogen 2.902 N/A SER 186.A OG ASP 168.A OD1 no hydrogen 3.158 N/A SER 186.A OG ASP 168.A OD2 no hydrogen 2.725 N/A SER 187.A N CYS 140.A O no hydrogen 2.957 N/A SER 187.A OG CYS 166.A O no hydrogen 3.266 N/A SER 187.A OG THR 167.A OG1 no hydrogen 2.613 N/A ARG 188.A N CYS 166.A O no hydrogen 2.819 N/A ARG 188.A NH1 CYS 166.A O no hydrogen 3.338 N/A ARG 188.A NH1 ASP 168.A OD1 no hydrogen 2.903 N/A ARG 188.A NH2 ASP 168.A OD1 no hydrogen 3.139 N/A LEU 189.A N LEU 138.A O no hydrogen 2.944 N/A ARG 190.A N GLY 164.A O no hydrogen 2.721 N/A ARG 190.A NE GLU 129.A OE2 no hydrogen 2.871 N/A ARG 190.A NH2 GLU 129.A OE2 no hydrogen 2.826 N/A VAL 191.A N ALA 136.A O no hydrogen 2.872 N/A SER 192.A OG THR 194.A OG1 no hydrogen 3.062 N/A ALA 193.A N GLN 134.A O no hydrogen 2.954 N/A THR 194.A OG1 SER 192.A OG no hydrogen 3.062 N/A PHE 195.A N SER 192.A O no hydrogen 3.052 N/A PHE 195.A N SER 192.A OG no hydrogen 3.082 N/A TRP 196.A N SER 192.A O no hydrogen 3.227 N/A GLN 197.A N ALA 193.A O no hydrogen 2.886 N/A ASN 198.A N PHE 195.A O no hydrogen 3.430 N/A ARG 200.A N ASN 198.A OD1 no hydrogen 2.919 N/A ASN 201.A N ASN 198.A O no hydrogen 3.139 N/A ASN 201.A ND2 PHE 195.A O no hydrogen 2.905 N/A HIS 202.A N ASN 157.A OD1 no hydrogen 2.900 N/A PHE 203.A N ALA 234.A O no hydrogen 2.842 N/A ARG 204.A N TRP 155.A O no hydrogen 2.861 N/A ARG 204.A NH1 GLN 206.A OE1 no hydrogen 3.378 N/A ARG 204.A NH2 GLN 206.A OE1 no hydrogen 2.991 N/A ARG 204.A NH2 SER 231.A OG no hydrogen 3.086 N/A CYS 205.A N ALA 232.A O no hydrogen 2.893 N/A GLN 206.A N SER 153.A O no hydrogen 2.813 N/A VAL 207.A N VAL 230.A O no hydrogen 2.779 N/A GLN 208.A N GLU 151.A O no hydrogen 2.852 N/A PHE 209.A N GLN 228.A O no hydrogen 2.681 N/A TYR 210.A N HIS 149.A O no hydrogen 3.033 N/A TYR 210.A OH GLU 151.A OE1 no hydrogen 3.385 N/A GLY 211.A N THR 227.A OG1 no hydrogen 3.071 N/A LEU 212.A N PRO 225.A O no hydrogen 3.110 N/A SER 213.A N ASP 216.A OD2 no hydrogen 2.765 N/A ASN 215.A N SER 213.A OG no hydrogen 3.166 N/A ASP 216.A N SER 213.A O no hydrogen 3.002 N/A TRP 218.A NE1 ARG 222.A O no hydrogen 3.284 N/A ARG 222.A NH1 VAL 115.A O no hydrogen 2.903 N/A ARG 222.A NH2 LYS 113.A O no hydrogen 3.263 N/A ARG 222.A NH2 VAL 115.A O no hydrogen 2.832 N/A LYS 224.A NZ SER 213.A O no hydrogen 3.077 N/A LYS 224.A NZ GLU 214.A O no hydrogen 3.383 N/A LYS 224.A NZ ASP 216.A O no hydrogen 2.737 N/A VAL 226.A N LYS 224.A O no hydrogen 2.845 N/A THR 227.A N LEU 212.A O no hydrogen 3.103 N/A GLN 228.A N PHE 209.A O no hydrogen 2.949 N/A GLN 228.A NE2 VAL 226.A O no hydrogen 2.915 N/A VAL 230.A N VAL 207.A O no hydrogen 2.915 N/A ALA 232.A N CYS 205.A O no hydrogen 2.995 N/A ALA 234.A N PHE 203.A O no hydrogen 2.884 N/A GLY 236.A N ASN 201.A O no hydrogen 2.839 N/A ARG 237.A N TRP 196.A O no hydrogen 2.972 N/A ARG 237.A NE ASP 239.A OD2 no hydrogen 3.121 N/A ARG 237.A NH1 GLU 124.A OE1 no hydrogen 2.472 N/A ARG 237.A NH1 GLU 124.A OE2 no hydrogen 3.523 N/A ARG 237.A NH2 ASP 239.A OD2 no hydrogen 3.451 N/A