Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ARG 3.A O no hydrogen 3.126 N/A TRP 6.A N SER 128.A OG no hydrogen 2.975 N/A SER 7.A N ASP 135.A OD2 no hydrogen 2.940 N/A SER 7.A OG ASP 135.A OD2 no hydrogen 3.510 N/A GLY 8.A N CYS 129.A O no hydrogen 3.016 N/A THR 11.A N ASN 125.A O no hydrogen 3.134 N/A THR 11.A OG1 CYS 116.A O no hydrogen 3.519 N/A THR 11.A OG1 ASN 125.A O no hydrogen 2.842 N/A THR 12.A N THR 114.A O no hydrogen 2.966 N/A THR 12.A OG1 THR 114.A O no hydrogen 3.428 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.728 N/A THR 18.A N ARG 14.A O no hydrogen 2.876 N/A THR 18.A OG1 ARG 14.A O no hydrogen 2.990 N/A VAL 19.A N PHE 15.A O no hydrogen 3.047 N/A LEU 20.A N PRO 16.A O no hydrogen 3.187 N/A ALA 21.A N GLU 17.A O no hydrogen 2.998 N/A ARG 22.A N THR 18.A O no hydrogen 2.992 N/A ARG 22.A NH1 TYR 108.A O no hydrogen 3.273 N/A ARG 22.A NH1 LEU 109.A O no hydrogen 3.079 N/A ARG 22.A NH1 ASP 111.A O no hydrogen 2.765 N/A ARG 22.A NH2 ASP 111.A O no hydrogen 3.466 N/A CYS 23.A N VAL 19.A O no hydrogen 3.000 N/A VAL 24.A N LEU 20.A O no hydrogen 3.084 N/A LYS 25.A N ALA 21.A O no hydrogen 2.912 N/A TYR 26.A N ARG 22.A O no hydrogen 2.886 N/A TYR 26.A OH GLN 71.A OE1 no hydrogen 2.893 N/A TYR 26.A OH ASP 103.A O no hydrogen 2.716 N/A THR 27.A N CYS 23.A O no hydrogen 2.895 N/A THR 27.A OG1 CYS 23.A O no hydrogen 2.896 N/A THR 27.A OG1 VAL 24.A O no hydrogen 3.030 N/A GLU 28.A N VAL 24.A O no hydrogen 3.053 N/A GLU 28.A N LYS 25.A O no hydrogen 3.301 N/A ILE 29.A N LYS 25.A O no hydrogen 3.249 N/A ILE 29.A N TYR 26.A O no hydrogen 3.190 N/A HIS 30.A N TYR 26.A O no hydrogen 3.081 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.793 N/A MET 33.A N HIS 30.A O no hydrogen 3.166 N/A ARG 34.A N PRO 31.A O no hydrogen 3.086 N/A ARG 34.A NE PRO 31.A O no hydrogen 2.692 N/A SER 40.A OG ASP 37.A O no hydrogen 2.715 N/A SER 40.A OG ASP 37.A OD1 no hydrogen 3.381 N/A VAL 41.A N ASP 37.A O no hydrogen 3.164 N/A TRP 42.A N CYS 38.A O no hydrogen 2.952 N/A ASP 43.A N GLN 39.A O no hydrogen 2.914 N/A ALA 44.A N SER 40.A O no hydrogen 2.965 N/A PHE 45.A N VAL 41.A O no hydrogen 2.903 N/A LYS 46.A N TRP 42.A O no hydrogen 2.828 N/A GLY 47.A N ASP 43.A O no hydrogen 2.988 N/A ALA 48.A N PHE 45.A O no hydrogen 3.044 N/A PHE 49.A N LYS 46.A O no hydrogen 3.216 N/A ILE 50.A N LYS 46.A O no hydrogen 2.951 N/A SER 51.A OG THR 121.A O no hydrogen 3.035 N/A LYS 52.A N PHE 49.A O no hydrogen 3.359 N/A LYS 52.A NZ GLY 47.A O no hydrogen 3.115 N/A LYS 52.A NZ ALA 48.A O no hydrogen 3.562 N/A LYS 52.A NZ ASP 61.A OD1 no hydrogen 2.492 N/A CYS 55.A N HIS 53.A ND1 no hydrogen 3.167 N/A ASP 56.A N HIS 53.A O no hydrogen 2.985 N/A ILE 57.A N ASN 138.A O no hydrogen 3.202 N/A THR 58.A N ASP 61.A OD2 no hydrogen 2.834 N/A THR 58.A OG1 GLU 60.A OE1 no hydrogen 3.433 N/A GLU 60.A N THR 58.A OG1 no hydrogen 3.218 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.897 N/A ASP 61.A N THR 58.A O no hydrogen 3.079 N/A TYR 62.A N GLU 59.A O no hydrogen 3.107 N/A TYR 62.A OH PRO 140.A O no hydrogen 2.595 N/A GLN 63.A N GLU 60.A O no hydrogen 3.122 N/A GLN 63.A NE2 GLU 59.A O no hydrogen 2.907 N/A MET 66.A N TYR 62.A O no hydrogen 2.941 N/A LYS 67.A N GLN 63.A O no hydrogen 2.859 N/A LEU 68.A N PRO 64.A O no hydrogen 3.126 N/A GLY 69.A N LEU 65.A O no hydrogen 2.873 N/A THR 70.A N LYS 67.A O no hydrogen 3.449 N/A THR 70.A OG1 MET 66.A O no hydrogen 3.385 N/A THR 70.A OG1 LYS 67.A O no hydrogen 3.083 N/A LYS 77.A N PRO 74.A O no hydrogen 3.091 N/A LEU 79.A N PHE 99.A O no hydrogen 2.816 N/A LEU 80.A N HIS 161.A O no hydrogen 2.864 N/A TRP 81.A NE1 GLU 102.A OE1 no hydrogen 3.301 N/A SER 82.A N MET 163.A O no hydrogen 3.068 N/A ARG 83.A NH1 ASP 173.A OD2 no hydrogen 2.747 N/A LYS 85.A NZ ASP 111.A OD2 no hydrogen 2.974 N/A LYS 85.A NZ ASP 112.A OD1 no hydrogen 3.107 N/A ALA 88.A N ILE 84.A O no hydrogen 3.460 N/A HIS 89.A N LYS 85.A O no hydrogen 2.973 N/A HIS 89.A NE2 GLU 102.A OE1 no hydrogen 2.821 N/A GLN 90.A N ASP 86.A O no hydrogen 2.965 N/A PHE 91.A N LEU 87.A O no hydrogen 2.959 N/A THR 92.A N ALA 88.A O no hydrogen 3.213 N/A THR 92.A OG1 HIS 89.A O no hydrogen 3.390 N/A THR 92.A OG1 ASP 103.A OD1 no hydrogen 3.429 N/A GLN 93.A N HIS 89.A O no hydrogen 3.132 N/A VAL 94.A N PHE 91.A O no hydrogen 3.382 N/A ARG 96.A N THR 92.A O no hydrogen 3.201 N/A PHE 99.A N LYS 77.A O no hydrogen 2.872 N/A THR 100.A N ASP 103.A OD1 no hydrogen 2.990 N/A THR 100.A OG1 GLU 102.A OE1 no hydrogen 3.032 N/A THR 100.A OG1 ASP 103.A OD1 no hydrogen 3.393 N/A ASP 103.A N THR 100.A O no hydrogen 2.953 N/A THR 104.A N LEU 101.A O no hydrogen 2.978 N/A THR 104.A OG1 LEU 101.A O no hydrogen 2.622 N/A GLY 107.A N THR 104.A OG1 no hydrogen 3.252 N/A TYR 108.A N THR 104.A O no hydrogen 2.926 N/A LEU 109.A N LEU 105.A O no hydrogen 2.916 N/A ALA 110.A N LEU 106.A O no hydrogen 3.380 N/A ASP 111.A N GLY 107.A O no hydrogen 3.078 N/A LEU 113.A N ALA 110.A O no hydrogen 3.020 N/A THR 114.A N THR 12.A OG1 no hydrogen 2.999 N/A TRP 115.A NE1 TYR 62.A OH no hydrogen 3.153 N/A CYS 116.A N THR 11.A OG1 no hydrogen 2.987 N/A CYS 116.A SG SER 128.A O no hydrogen 3.285 N/A ASN 125.A N CYS 116.A O no hydrogen 3.023 N/A GLN 127.A N ASN 125.A OD1 no hydrogen 2.770 N/A GLN 127.A NE2 GLN 4.A OE1 no hydrogen 3.491 N/A SER 128.A N ASN 125.A OD1 no hydrogen 3.209 N/A CYS 129.A N GLY 8.A O no hydrogen 3.154 N/A CYS 129.A SG THR 11.A OG1 no hydrogen 3.679 N/A ASP 131.A N ASP 135.A OD2 no hydrogen 2.961 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 3.197 N/A LYS 134.A N ASP 131.A OD1 no hydrogen 2.709 N/A ASP 135.A N ASP 131.A O no hydrogen 2.889 N/A CYS 136.A N ASP 131.A O no hydrogen 3.052 N/A CYS 136.A SG PRO 54.A O no hydrogen 3.876 N/A SER 142.A OG ASN 139.A OD1 no hydrogen 3.300 N/A VAL 143.A N ASN 139.A O no hydrogen 3.050 N/A PHE 144.A N PRO 140.A O no hydrogen 3.182 N/A TRP 145.A N VAL 141.A O no hydrogen 3.201 N/A LYS 146.A N SER 142.A O no hydrogen 3.161 N/A THR 147.A N VAL 143.A O no hydrogen 3.180 N/A THR 147.A OG1 VAL 143.A O no hydrogen 2.640 N/A VAL 148.A N PHE 144.A O no hydrogen 3.087 N/A SER 149.A N TRP 145.A O no hydrogen 2.889 N/A SER 149.A OG TRP 145.A O no hydrogen 2.927 N/A ARG 150.A N LYS 146.A O no hydrogen 3.082 N/A ARG 150.A NH2 GLU 59.A OE1 no hydrogen 3.412 N/A ARG 151.A N THR 147.A O no hydrogen 3.391 N/A ARG 151.A NH2 GLN 63.A OE1 no hydrogen 3.173 N/A PHE 152.A N VAL 148.A O no hydrogen 3.110 N/A ALA 153.A N SER 149.A O no hydrogen 3.021 N/A GLU 154.A N ARG 150.A O no hydrogen 3.032 N/A ALA 155.A N PHE 152.A O no hydrogen 3.180 N/A ALA 156.A N ALA 153.A O no hydrogen 3.229 N/A CYS 157.A N CYS 75.A O no hydrogen 2.992 N/A CYS 157.A SG ASP 158.A OD2 no hydrogen 3.243 N/A ASP 158.A N LYS 190.A O no hydrogen 2.922 N/A VAL 160.A N THR 193.A O no hydrogen 2.960 N/A HIS 161.A N ILE 78.A O no hydrogen 3.367 N/A VAL 162.A N GLU 195.A O no hydrogen 2.984 N/A MET 163.A N LEU 80.A O no hydrogen 3.020 N/A LEU 164.A N TRP 197.A O no hydrogen 2.992 N/A GLY 166.A N ILE 199.A O no hydrogen 2.793 N/A SER 167.A N ASP 165.A OD1 no hydrogen 2.920 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.735 N/A SER 167.A OG ASP 165.A OD2 no hydrogen 3.441 N/A ARG 168.A N ASP 165.A O no hydrogen 3.437 N/A PHE 172.A N THR 209.A OG1 no hydrogen 3.008 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 2.843 N/A SER 176.A N ASP 173.A O no hydrogen 3.030 N/A SER 176.A OG ASP 173.A O no hydrogen 2.834 N/A GLY 179.A N SER 176.A OG no hydrogen 3.117 N/A SER 180.A N SER 176.A O no hydrogen 2.856 N/A SER 180.A OG SER 176.A O no hydrogen 2.752 N/A VAL 181.A N THR 177.A O no hydrogen 2.930 N/A GLU 182.A N THR 177.A O no hydrogen 3.185 N/A VAL 183.A N PHE 178.A O no hydrogen 3.033 N/A ASN 185.A N GLU 182.A O no hydrogen 3.090 N/A ASN 185.A ND2 VAL 181.A O no hydrogen 2.898 N/A LEU 186.A N GLU 182.A O no hydrogen 3.253 N/A GLN 187.A NE2 ASN 185.A O no hydrogen 3.190 N/A LYS 190.A N GLN 187.A O no hydrogen 2.887 N/A LYS 190.A NZ GLU 154.A O no hydrogen 2.922 N/A VAL 191.A N GLN 187.A O no hydrogen 2.876 N/A GLN 192.A N ASP 158.A O no hydrogen 2.739 N/A THR 193.A N ASP 158.A O no hydrogen 3.137 N/A THR 193.A OG1 GLN 192.A OE1 no hydrogen 3.229 N/A LEU 194.A N GLN 223.A O no hydrogen 2.905 N/A GLU 195.A N VAL 160.A O no hydrogen 2.884 N/A ALA 196.A N SER 225.A O no hydrogen 2.883 N/A TRP 197.A N VAL 162.A O no hydrogen 2.752 N/A TRP 197.A NE1 GLU 195.A OE1 no hydrogen 2.935 N/A VAL 198.A N LYS 227.A O no hydrogen 2.860 N/A ILE 199.A N LEU 164.A O no hydrogen 2.858 N/A HIS 200.A N ILE 229.A O no hydrogen 3.006 N/A HIS 200.A NE2 ARG 202.A O no hydrogen 3.187 N/A LEU 204.A N ASN 228.A OD1 no hydrogen 3.159 N/A CYS 205.A N ASP 203.A OD1 no hydrogen 3.030 N/A GLN 206.A N ASP 203.A O no hydrogen 3.060 N/A GLN 206.A NE2 ASP 203.A OD2 no hydrogen 3.502 N/A ASP 207.A N LEU 204.A O no hydrogen 3.092 N/A THR 209.A N ASP 207.A OD1 no hydrogen 2.902 N/A THR 209.A OG1 PHE 172.A O no hydrogen 3.529 N/A THR 209.A OG1 ASP 207.A OD1 no hydrogen 2.949 N/A LYS 211.A N ASP 207.A O no hydrogen 3.103 N/A LYS 211.A NZ GLU 214.A OE1 no hydrogen 3.421 N/A GLU 212.A N PRO 208.A O no hydrogen 3.160 N/A LEU 213.A N THR 209.A O no hydrogen 3.094 N/A GLU 214.A N ILE 210.A O no hydrogen 3.080 N/A SER 215.A N LYS 211.A O no hydrogen 3.021 N/A ILE 216.A N GLU 212.A O no hydrogen 2.959 N/A ILE 217.A N LEU 213.A O no hydrogen 2.953 N/A SER 218.A N GLU 214.A O no hydrogen 2.923 N/A SER 218.A OG GLU 214.A O no hydrogen 2.651 N/A LYS 219.A N SER 215.A O no hydrogen 3.111 N/A ARG 220.A N ILE 217.A O no hydrogen 3.037 N/A ARG 220.A NH1 LEU 186.A O no hydrogen 3.229 N/A ARG 220.A NH2 VAL 183.A O no hydrogen 2.800 N/A ARG 220.A NH2 LEU 186.A O no hydrogen 2.880 N/A ASN 221.A N SER 218.A O no hydrogen 2.960 N/A ILE 222.A N ILE 217.A O no hydrogen 3.193 N/A GLN 223.A N GLN 192.A O no hydrogen 3.129 N/A SER 225.A N LEU 194.A O no hydrogen 3.027 N/A SER 225.A OG GLU 195.A OE2 no hydrogen 3.302 N/A CYS 226.A SG ALA 196.A O no hydrogen 4.045 N/A LYS 227.A N ALA 196.A O no hydrogen 2.954 N/A ASN 228.A ND2 ASP 203.A OD1 no hydrogen 2.905 N/A ILE 229.A N VAL 198.A O no hydrogen 2.885 N/A PHE 235.A N ARG 231.A O no hydrogen 2.990 N/A LEU 236.A N PRO 232.A O no hydrogen 3.111 N/A GLN 237.A N ASP 233.A O no hydrogen 3.353 N/A CYS 238.A N LYS 234.A O no hydrogen 2.928 N/A CYS 238.A SG LYS 234.A O no hydrogen 3.391 N/A VAL 239.A N PHE 235.A O no hydrogen 3.048 N/A LYS 240.A N LEU 236.A O no hydrogen 3.148 N/A ASN 241.A N GLN 237.A O no hydrogen 2.942 N/A SER 246.A N ASP 244.A OD1 no hydrogen 2.963 N/A CYS 247.A N ASP 244.A O no hydrogen 2.911 N/A CYS 247.A SG ASN 241.A O no hydrogen 3.760 N/A