Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gg5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 249.A O no hydrogen 2.980 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 2.745 N/A GLN 7.A N GLY 4.A O no hydrogen 2.567 N/A GLN 7.A NE2 ARG 39.A O no hydrogen 3.312 N/A TYR 8.A OH MET 194.A O no hydrogen 2.742 N/A LEU 9.A N GLU 5.A O no hydrogen 2.931 N/A GLY 10.A N LEU 6.A O no hydrogen 2.712 N/A GLN 11.A N TYR 8.A O no hydrogen 2.699 N/A ILE 12.A N TYR 8.A O no hydrogen 2.836 N/A GLN 13.A N LEU 9.A O no hydrogen 2.860 N/A GLN 13.A NE2 GLN 13.A O no hydrogen 3.399 N/A HIS 14.A N GLY 10.A O no hydrogen 3.244 N/A HIS 14.A N GLN 11.A O no hydrogen 2.833 N/A ILE 15.A N GLN 11.A O no hydrogen 2.950 N/A LEU 16.A N ILE 12.A O no hydrogen 2.959 N/A ARG 17.A N GLN 13.A O no hydrogen 3.039 N/A ARG 17.A N HIS 14.A O no hydrogen 3.112 N/A CYS 18.A N ILE 15.A O no hydrogen 2.931 N/A GLY 19.A N ILE 15.A O no hydrogen 2.544 N/A VAL 20.A N SER 32.A O no hydrogen 3.050 N/A ARG 21.A NE ASP 23.A OD1 no hydrogen 2.757 N/A LYS 22.A N THR 30.A O no hydrogen 2.814 N/A LYS 22.A NZ ASP 229.A OD2 no hydrogen 2.856 N/A ASP 24.A N THR 28.A O no hydrogen 2.761 N/A THR 26.A N ASP 24.A OD2 no hydrogen 2.516 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.239 N/A GLY 27.A N ASP 24.A O no hydrogen 2.924 N/A THR 28.A OG1 THR 26.A OG1 no hydrogen 3.049 N/A THR 30.A N LYS 22.A O no hydrogen 2.815 N/A THR 30.A OG1 LYS 22.A O no hydrogen 2.374 N/A LEU 31.A N ILE 232.A O no hydrogen 3.073 N/A SER 32.A N VAL 20.A O no hydrogen 2.748 N/A SER 32.A OG ASP 229.A OD1 no hydrogen 3.148 N/A VAL 33.A N ALA 230.A O no hydrogen 2.886 N/A GLY 35.A N GLY 228.A O no hydrogen 2.784 N/A MET 36.A N LEU 227.A O no hydrogen 3.129 N/A GLN 37.A NE2 THR 226.A OG1 no hydrogen 3.180 N/A ALA 38.A N HIS 225.A O no hydrogen 3.127 N/A ARG 39.A NH2 ASP 222.A OD2 no hydrogen 2.774 N/A TYR 40.A N PHE 223.A O no hydrogen 2.732 N/A LEU 42.A N GLY 221.A O no hydrogen 2.552 N/A ARG 43.A N SER 41.A OG no hydrogen 2.856 N/A ARG 43.A NE PRO 220.A O no hydrogen 3.351 N/A THR 50.A N GLU 5.A OE2 no hydrogen 3.076 N/A THR 50.A OG1 GLU 5.A OE2 no hydrogen 2.632 N/A THR 51.A N GLU 5.A OE1 no hydrogen 3.084 N/A THR 51.A OG1 GLU 5.A OE1 no hydrogen 3.309 N/A VAL 54.A N TYR 276.A OH no hydrogen 3.166 N/A VAL 59.A N PHE 55.A O no hydrogen 3.345 N/A LEU 60.A N TRP 56.A O no hydrogen 2.940 N/A GLU 61.A N LYS 57.A O no hydrogen 2.923 N/A GLU 62.A N GLY 58.A O no hydrogen 2.734 N/A LEU 63.A N LEU 60.A O no hydrogen 2.716 N/A LEU 64.A N LEU 60.A O no hydrogen 2.924 N/A TRP 65.A N GLU 61.A O no hydrogen 2.931 N/A TRP 65.A NE1 SER 70.A OG no hydrogen 2.753 N/A PHE 66.A N GLU 62.A O no hydrogen 3.073 N/A ILE 67.A N LEU 63.A O no hydrogen 2.465 N/A LYS 68.A N LEU 64.A O no hydrogen 2.831 N/A GLY 69.A N PHE 66.A O no hydrogen 2.647 N/A SER 70.A N TRP 65.A O no hydrogen 3.338 N/A THR 71.A OG1 TYR 121.A OH no hydrogen 3.030 N/A ASN 72.A N SER 70.A OG no hydrogen 3.322 N/A ALA 73.A N GLY 104.A O no hydrogen 2.798 N/A LYS 74.A N ASN 72.A OD1 no hydrogen 2.980 N/A LYS 74.A NZ GLU 103.A OE1 no hydrogen 3.173 N/A LEU 76.A N ALA 73.A O no hydrogen 3.111 N/A SER 77.A N ALA 73.A O no hydrogen 2.924 N/A SER 78.A N LYS 74.A O no hydrogen 3.305 N/A SER 78.A OG GLU 75.A O no hydrogen 3.339 N/A LYS 79.A N LEU 76.A O no hydrogen 2.565 N/A LYS 79.A NZ GLU 75.A O no hydrogen 3.111 N/A GLY 80.A N SER 77.A O no hydrogen 2.900 N/A TRP 84.A NE1 GLU 62.A OE2 no hydrogen 2.717 N/A ASN 87.A N TRP 84.A O no hydrogen 2.727 N/A ASN 87.A ND2 TRP 84.A O no hydrogen 3.394 N/A GLY 88.A N ASP 85.A O no hydrogen 3.047 N/A SER 89.A OG ASP 91.A OD2 no hydrogen 2.628 N/A ARG 90.A NH2 THR 100.A O no hydrogen 3.288 N/A PHE 92.A N SER 89.A O no hydrogen 2.597 N/A PHE 92.A N SER 89.A OG no hydrogen 2.874 N/A LEU 93.A N SER 89.A O no hydrogen 2.727 N/A SER 95.A N ASP 91.A O no hydrogen 2.748 N/A SER 95.A OG ASP 91.A O no hydrogen 3.057 N/A SER 95.A OG PHE 92.A O no hydrogen 3.444 N/A LEU 96.A N LEU 93.A O no hydrogen 2.641 N/A GLY 97.A N LEU 93.A O no hydrogen 3.205 N/A SER 99.A OG ASP 94.A OD2 no hydrogen 2.924 N/A ARG 101.A NH1 ASP 105.A O no hydrogen 3.033 N/A ARG 101.A NH2 LEU 164.A O no hydrogen 3.210 N/A GLY 104.A N GLY 88.A O no hydrogen 2.626 N/A LEU 106.A N THR 71.A O no hydrogen 2.847 N/A GLY 107.A N ASP 105.A OD2 no hydrogen 2.880 N/A PHE 112.A N VAL 109.A O no hydrogen 2.437 N/A GLN 113.A N VAL 109.A O no hydrogen 3.187 N/A GLN 113.A NE2 PRO 108.A O no hydrogen 3.195 N/A GLN 113.A NE2 ASP 161.A OD1 no hydrogen 3.041 N/A ARG 115.A N PHE 112.A O no hydrogen 3.039 N/A ARG 115.A NE TRP 114.A O no hydrogen 3.249 N/A ARG 115.A NE ASP 134.A OD1 no hydrogen 3.337 N/A ARG 115.A NH1 ILE 67.A O no hydrogen 3.226 N/A ARG 115.A NH1 ASP 264.A OD2 no hydrogen 2.813 N/A ARG 115.A NH2 ASP 134.A OD1 no hydrogen 2.945 N/A ARG 115.A NH2 ASP 264.A OD2 no hydrogen 3.440 N/A HIS 116.A ND1 GLN 131.A O no hydrogen 3.068 N/A PHE 117.A N VAL 133.A O no hydrogen 2.723 N/A ALA 119.A N HIS 116.A O no hydrogen 2.784 N/A TYR 121.A OH THR 71.A OG1 no hydrogen 3.030 N/A TYR 121.A OH ASP 105.A OD2 no hydrogen 3.153 N/A ARG 122.A N TYR 128.A OH no hydrogen 2.435 N/A ARG 122.A NH2 ASP 127.A O no hydrogen 3.305 N/A ASP 123.A N SER 126.A OG no hydrogen 2.810 N/A MET 124.A N ASP 105.A OD1 no hydrogen 2.957 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 2.236 N/A SER 126.A N ASP 123.A O no hydrogen 3.027 N/A SER 126.A OG ASP 123.A O no hydrogen 2.802 N/A SER 126.A OG TYR 128.A OH no hydrogen 2.990 N/A TYR 128.A OH ASP 123.A O no hydrogen 2.994 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.863 N/A SER 129.A OG ASP 127.A OD1 no hydrogen 2.306 N/A GLN 131.A N TYR 128.A O no hydrogen 2.825 N/A GLN 131.A N SER 129.A O no hydrogen 2.422 N/A GLN 135.A NE2 GLN 113.A O no hydrogen 2.443 N/A GLN 135.A NE2 CYS 155.A O no hydrogen 3.059 N/A GLN 137.A N ASP 134.A OD1 no hydrogen 3.074 N/A GLN 137.A NE2 ASP 141.A OD2 no hydrogen 3.528 N/A ARG 138.A N ASP 134.A O no hydrogen 3.036 N/A VAL 139.A N GLN 135.A O no hydrogen 3.026 N/A ILE 140.A N LEU 136.A O no hydrogen 3.247 N/A ASP 141.A N GLN 137.A O no hydrogen 2.873 N/A THR 142.A N ARG 138.A O no hydrogen 2.796 N/A THR 142.A OG1 ARG 138.A O no hydrogen 3.061 N/A ILE 143.A N VAL 139.A O no hydrogen 2.698 N/A LYS 144.A N ILE 140.A O no hydrogen 2.693 N/A THR 145.A N ASP 141.A O no hydrogen 3.124 N/A ASP 149.A N ASN 146.A O no hydrogen 2.858 N/A ARG 150.A N ASP 149.A OD2 no hydrogen 2.896 N/A ARG 151.A N ASP 149.A OD2 no hydrogen 3.448 N/A MET 154.A N CYS 174.A O no hydrogen 2.927 N/A CYS 155.A N GLN 135.A OE1 no hydrogen 3.131 N/A CYS 155.A SG ALA 172.A O no hydrogen 3.541 N/A ALA 156.A N ALA 172.A O no hydrogen 2.807 N/A ARG 160.A NH1 GLU 120.A OE2 no hydrogen 2.826 N/A LEU 162.A N PRO 159.A O no hydrogen 2.975 N/A LEU 164.A N LEU 162.A O no hydrogen 2.186 N/A ALA 166.A N LEU 106.A O no hydrogen 2.793 N/A CYS 170.A N TYR 110.A OH no hydrogen 3.120 N/A ALA 172.A N TYR 188.A O no hydrogen 3.096 N/A CYS 174.A N MET 154.A O no hydrogen 3.095 N/A CYS 174.A SG MET 154.A O no hydrogen 3.922 N/A GLN 175.A N GLN 186.A O no hydrogen 2.717 N/A PHE 176.A N ILE 152.A O no hydrogen 2.409 N/A TYR 177.A N SER 184.A O no hydrogen 2.978 N/A VAL 179.A N GLU 182.A O no hydrogen 3.298 N/A SER 181.A OG ASN 180.A O no hydrogen 2.393 N/A GLU 182.A N VAL 179.A O no hydrogen 3.018 N/A LEU 183.A N LYS 219.A O no hydrogen 2.543 N/A SER 184.A N TYR 177.A O no hydrogen 3.004 N/A CYS 185.A N ASP 222.A O no hydrogen 2.928 N/A GLN 186.A N GLN 175.A O no hydrogen 2.643 N/A LEU 187.A N ILE 224.A O no hydrogen 2.896 N/A TYR 188.A N LEU 173.A O no hydrogen 3.134 N/A GLN 189.A N THR 226.A O no hydrogen 2.680 N/A GLN 189.A NE2 SER 191.A O no hydrogen 3.515 N/A GLN 189.A NE2 ASN 201.A OD1 no hydrogen 3.265 N/A ARG 190.A NE PRO 169.A O no hydrogen 2.431 N/A GLY 192.A N ASP 229.A O no hydrogen 2.842 N/A LEU 196.A N ASP 193.A OD1 no hydrogen 3.226 N/A VAL 198.A N ASP 193.A O no hydrogen 3.202 N/A ASN 201.A N GLY 197.A O no hydrogen 2.908 N/A ILE 202.A N VAL 198.A O no hydrogen 3.103 N/A ILE 202.A N PRO 199.A O no hydrogen 2.959 N/A ALA 203.A N PRO 199.A O no hydrogen 3.057 N/A SER 204.A N PHE 200.A O no hydrogen 2.737 N/A TYR 205.A N ASN 201.A O no hydrogen 2.908 N/A TYR 205.A N ILE 202.A O no hydrogen 2.845 N/A ALA 206.A N ILE 202.A O no hydrogen 2.694 N/A LEU 207.A N ALA 203.A O no hydrogen 2.673 N/A LEU 208.A N SER 204.A O no hydrogen 3.276 N/A THR 209.A N TYR 205.A O no hydrogen 3.023 N/A THR 209.A OG1 TYR 205.A O no hydrogen 2.752 N/A TYR 210.A N ALA 206.A O no hydrogen 3.100 N/A TYR 210.A OH LEU 42.A O no hydrogen 2.943 N/A TYR 210.A OH GLU 45.A O no hydrogen 3.168 N/A MET 211.A N LEU 207.A O no hydrogen 2.885 N/A ILE 212.A N LEU 208.A O no hydrogen 2.876 N/A ALA 213.A N THR 209.A O no hydrogen 2.984 N/A HIS 214.A N TYR 210.A O no hydrogen 2.758 N/A ILE 215.A N MET 211.A O no hydrogen 3.188 N/A THR 216.A N ILE 212.A O no hydrogen 2.945 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.830 N/A THR 216.A OG1 ALA 213.A O no hydrogen 3.322 N/A GLY 217.A N HIS 214.A O no hydrogen 2.647 N/A LEU 218.A N THR 216.A OG1 no hydrogen 3.343 N/A LYS 219.A N SER 181.A O no hydrogen 2.628 N/A GLY 221.A N LEU 183.A O no hydrogen 2.692 N/A ASP 222.A N SER 184.A OG no hydrogen 3.130 N/A PHE 223.A N TYR 40.A O no hydrogen 2.527 N/A ILE 224.A N CYS 185.A O no hydrogen 3.030 N/A HIS 225.A N ALA 38.A O no hydrogen 2.559 N/A HIS 225.A NE2 GLN 189.A OE1 no hydrogen 2.742 N/A THR 226.A N LEU 187.A O no hydrogen 2.834 N/A THR 226.A OG1 MET 36.A O no hydrogen 3.348 N/A THR 226.A OG1 GLN 186.A OE1 no hydrogen 3.313 N/A LEU 227.A N MET 36.A O no hydrogen 2.641 N/A GLY 228.A N GLN 189.A O no hydrogen 3.238 N/A ASP 229.A N ARG 190.A O no hydrogen 2.835 N/A ALA 230.A N VAL 33.A O no hydrogen 3.120 N/A HIS 231.A N GLY 192.A O no hydrogen 2.632 N/A HIS 231.A ND1 ASP 229.A O no hydrogen 3.013 N/A HIS 231.A ND1 ASP 229.A OD1 no hydrogen 3.141 N/A ILE 232.A N LEU 31.A O no hydrogen 2.932 N/A TYR 233.A OH ASP 24.A OD1 no hydrogen 2.806 N/A ILE 237.A N LEU 234.A O no hydrogen 2.990 N/A LEU 240.A N HIS 236.A O no hydrogen 2.878 N/A LYS 241.A N ILE 237.A O no hydrogen 2.826 N/A LYS 241.A N GLU 238.A O no hydrogen 2.624 N/A ILE 242.A N GLU 238.A O no hydrogen 3.158 N/A GLN 243.A N PRO 239.A O no hydrogen 2.686 N/A GLN 243.A NE2 THR 51.A OG1 no hydrogen 2.219 N/A LEU 244.A N LEU 240.A O no hydrogen 2.594 N/A GLN 245.A N ILE 242.A O no hydrogen 2.649 N/A ARG 246.A N GLN 243.A O no hydrogen 2.599 N/A ARG 246.A NH1 THR 51.A O no hydrogen 2.919 N/A ARG 249.A N THR 50.A OG1 no hydrogen 2.717 N/A ARG 249.A NH1 ASN 277.A O no hydrogen 3.221 N/A LYS 253.A N GLU 274.A O no hydrogen 2.799 N/A ARG 255.A N GLN 272.A O no hydrogen 3.003 N/A LEU 257.A N ASP 270.A O no hydrogen 2.891 N/A ARG 258.A NH1 ASP 270.A OD2 no hydrogen 2.750 N/A ARG 258.A NH2 ASP 265.A OD1 no hydrogen 3.336 N/A LYS 259.A NZ HIS 214.A O no hydrogen 3.309 N/A ASP 265.A N LYS 262.A O no hydrogen 3.189 N/A LYS 267.A N ASP 270.A OD1 no hydrogen 2.555 N/A GLU 269.A N GLU 269.A OE2 no hydrogen 2.297 N/A ASP 270.A N LYS 267.A O no hydrogen 2.359 N/A GLN 272.A N ARG 255.A O no hydrogen 2.928 N/A GLN 272.A NE2 ILE 273.A O no hydrogen 2.956 N/A GLU 274.A N LYS 253.A O no hydrogen 2.899 N/A TYR 276.A OH LEU 49.A O no hydrogen 2.107 N/A HIS 279.A N THR 50.A O no hydrogen 2.448 N/A HIS 279.A NE2 GLU 247.A O no hydrogen 2.978 N/A LYS 283.A NZ ILE 282.A O no hydrogen 2.136 N/A