Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gs3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 41.A OE2 no hydrogen 3.316 N/A ARG 6.A N THR 2.A O no hydrogen 2.996 N/A ALA 7.A N ALA 3.A O no hydrogen 2.965 N/A LYS 8.A N THR 4.A O no hydrogen 3.304 N/A VAL 9.A N ALA 5.A O no hydrogen 3.346 N/A VAL 10.A N ARG 6.A O no hydrogen 3.038 N/A ASP 11.A N ALA 7.A O no hydrogen 3.202 N/A TRP 12.A N LYS 8.A O no hydrogen 2.807 N/A CYS 13.A N VAL 9.A O no hydrogen 2.750 N/A CYS 13.A SG VAL 9.A O no hydrogen 3.485 N/A ASN 14.A N VAL 10.A O no hydrogen 2.982 N/A GLU 15.A N ASP 11.A O no hydrogen 3.136 N/A GLU 15.A N TRP 12.A O no hydrogen 3.243 N/A LEU 16.A N TRP 12.A O no hydrogen 3.129 N/A ILE 18.A N GLU 15.A O no hydrogen 2.930 N/A ALA 19.A N GLU 15.A O no hydrogen 2.758 N/A SER 20.A OG THR 23.A OG1 no hydrogen 3.152 N/A THR 23.A OG1 SER 20.A OG no hydrogen 3.152 N/A LYS 24.A N SER 20.A O no hydrogen 2.816 N/A LYS 24.A NZ ASP 56.A OD1 no hydrogen 2.750 N/A CYS 25.A N PRO 21.A O no hydrogen 2.979 N/A CYS 25.A SG PRO 21.A O no hydrogen 3.677 N/A GLU 26.A N SER 22.A O no hydrogen 3.350 N/A LEU 27.A N THR 23.A O no hydrogen 2.853 N/A LEU 28.A N LYS 24.A O no hydrogen 2.973 N/A ALA 29.A N CYS 25.A O no hydrogen 3.203 N/A LYS 30.A N GLU 26.A O no hydrogen 3.146 N/A VAL 31.A N LEU 27.A O no hydrogen 2.845 N/A GLN 32.A N LEU 28.A O no hydrogen 2.830 N/A GLU 33.A N ALA 29.A O no hydrogen 2.940 N/A THR 34.A N LYS 30.A O no hydrogen 3.239 N/A THR 34.A N VAL 31.A O no hydrogen 3.204 N/A THR 34.A OG1 LYS 30.A O no hydrogen 3.512 N/A VAL 35.A N VAL 31.A O no hydrogen 2.868 N/A LEU 36.A N GLN 32.A O no hydrogen 2.961 N/A GLY 37.A N THR 34.A O no hydrogen 3.322 N/A SER 38.A N GLU 33.A O no hydrogen 3.216 N/A SER 38.A OG GLU 33.A O no hydrogen 3.333 N/A CYS 39.A N THR 34.A O no hydrogen 2.702 N/A CYS 39.A SG THR 2.A OG1 no hydrogen 3.179 N/A LEU 42.A N CYS 39.A O no hydrogen 3.023 N/A ALA 43.A N ALA 40.A O no hydrogen 3.383 N/A VAL 50.A N PHE 46.A O no hydrogen 3.184 N/A LEU 51.A N LEU 47.A O no hydrogen 2.863 N/A SER 52.A N GLU 48.A O no hydrogen 3.122 N/A LEU 53.A N VAL 50.A O no hydrogen 2.930 N/A ALA 54.A N LEU 51.A O no hydrogen 3.067 N/A HIS 55.A N SER 52.A O no hydrogen 3.169 N/A ASP 56.A N LEU 53.A O no hydrogen 2.983 N/A ASN 58.A N ASP 56.A OD2 no hydrogen 2.902 N/A VAL 61.A N ASN 58.A OD1 no hydrogen 3.160 N/A ARG 62.A N ASN 58.A O no hydrogen 3.279 N/A ARG 62.A NE ASP 56.A O no hydrogen 2.986 N/A ARG 62.A NH1 ASP 93.A OD1 no hydrogen 2.905 N/A ARG 62.A NH2 SER 57.A O no hydrogen 2.921 N/A LYS 63.A N MET 59.A O no hydrogen 2.909 N/A LYS 63.A NZ GLU 60.A OE2 no hydrogen 3.491 N/A LYS 63.A NZ GLN 97.A OE1 no hydrogen 3.161 N/A GLN 64.A N GLU 60.A O no hydrogen 2.997 N/A GLN 64.A N VAL 61.A O no hydrogen 3.033 N/A VAL 65.A N VAL 61.A O no hydrogen 3.106 N/A VAL 66.A N ARG 62.A O no hydrogen 3.062 N/A ALA 67.A N LYS 63.A O no hydrogen 3.150 N/A PHE 68.A N GLN 64.A O no hydrogen 3.079 N/A VAL 69.A N VAL 65.A O no hydrogen 2.898 N/A GLU 70.A N VAL 66.A O no hydrogen 2.919 N/A GLN 71.A N ALA 67.A O no hydrogen 3.067 N/A VAL 72.A N PHE 68.A O no hydrogen 2.968 N/A CYS 73.A N VAL 69.A O no hydrogen 3.212 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.553 N/A LYS 74.A N GLN 71.A O no hydrogen 2.833 N/A VAL 75.A N GLN 71.A O no hydrogen 3.071 N/A LYS 76.A N VAL 72.A O no hydrogen 2.676 N/A LEU 79.A N LYS 76.A O no hydrogen 2.726 N/A LEU 80.A N VAL 77.A O no hydrogen 3.088 N/A HIS 82.A N LEU 79.A O no hydrogen 2.782 N/A VAL 83.A N LEU 80.A O no hydrogen 3.137 N/A ILE 84.A N LEU 80.A O no hydrogen 2.828 N/A VAL 86.A N VAL 83.A O no hydrogen 3.050 N/A SER 88.A N ILE 84.A O no hydrogen 3.383 N/A MET 89.A N ASN 85.A O no hydrogen 3.009 N/A LEU 90.A N VAL 86.A O no hydrogen 2.844 N/A LEU 91.A N SER 88.A O no hydrogen 3.155 N/A ARG 92.A N MET 89.A O no hydrogen 2.823 N/A ASP 93.A N LEU 90.A O no hydrogen 3.184 N/A SER 95.A N ASP 93.A OD2 no hydrogen 2.814 N/A VAL 98.A N SER 95.A OG no hydrogen 3.197 N/A ILE 99.A N SER 95.A O no hydrogen 3.131 N/A LYS 100.A N ALA 96.A O no hydrogen 2.733 N/A ARG 101.A N GLN 97.A O no hydrogen 3.197 N/A ARG 101.A NH1 GLU 70.A OE1 no hydrogen 3.496 N/A ARG 101.A NH1 ARG 101.A O no hydrogen 2.989 N/A ARG 101.A NH2 GLU 70.A OE1 no hydrogen 3.090 N/A VAL 102.A N VAL 98.A O no hydrogen 2.874 N/A ILE 103.A N ILE 99.A O no hydrogen 2.846 N/A GLN 104.A N LYS 100.A O no hydrogen 3.210 N/A ALA 105.A N ARG 101.A O no hydrogen 2.986 N/A CYS 106.A N VAL 102.A O no hydrogen 2.873 N/A CYS 106.A SG VAL 102.A O no hydrogen 3.170 N/A GLY 107.A N GLN 104.A O no hydrogen 3.165 N/A SER 108.A OG GLU 70.A OE2 no hydrogen 2.564 N/A SER 108.A OG ALA 105.A O no hydrogen 3.234 N/A ILE 109.A N ALA 105.A O no hydrogen 3.086 N/A TYR 110.A N CYS 106.A O no hydrogen 2.761 N/A LYS 111.A N GLY 107.A O no hydrogen 3.308 N/A LYS 111.A NZ GLY 179.A O no hydrogen 2.754 N/A ASN 112.A N SER 108.A O no hydrogen 2.660 N/A GLY 113.A N ILE 109.A O no hydrogen 2.750 N/A LEU 114.A N TYR 110.A O no hydrogen 2.747 N/A GLN 115.A N LYS 111.A O no hydrogen 2.996 N/A TYR 116.A N ASN 112.A O no hydrogen 2.976 N/A LEU 117.A N GLY 113.A O no hydrogen 2.938 N/A CYS 118.A N LEU 114.A O no hydrogen 3.079 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.362 N/A CYS 118.A SG GLN 115.A O no hydrogen 3.981 N/A SER 119.A N TYR 116.A O no hydrogen 2.889 N/A SER 119.A OG GLN 115.A O no hydrogen 2.396 N/A LEU 120.A N LEU 117.A O no hydrogen 3.351 N/A GLU 128.A N GLY 124.A O no hydrogen 3.125 N/A GLN 129.A N ASP 125.A O no hydrogen 2.900 N/A ALA 130.A N SER 126.A O no hydrogen 2.919 N/A TRP 131.A N ALA 127.A O no hydrogen 2.846 N/A ASN 132.A N GLU 128.A O no hydrogen 3.075 N/A ASN 132.A N GLN 129.A O no hydrogen 3.078 N/A ASN 132.A ND2 GLN 129.A OE1 no hydrogen 3.642 N/A ILE 133.A N GLN 129.A O no hydrogen 3.178 N/A LEU 134.A N ALA 130.A O no hydrogen 3.072 N/A SER 135.A N TRP 131.A O no hydrogen 3.100 N/A SER 135.A OG TRP 131.A O no hydrogen 3.084 N/A LEU 136.A N ASN 132.A O no hydrogen 2.868 N/A ILE 137.A N ILE 133.A O no hydrogen 2.861 N/A LYS 138.A N LEU 134.A O no hydrogen 2.984 N/A LYS 138.A NZ TYR 110.A OH no hydrogen 2.929 N/A LYS 138.A NZ GLU 201.A OE1 no hydrogen 2.850 N/A ALA 139.A N SER 135.A O no hydrogen 3.229 N/A GLN 140.A N LEU 136.A O no hydrogen 2.888 N/A GLN 140.A NE2 SER 88.A OG no hydrogen 2.413 N/A ILE 141.A N ILE 137.A O no hydrogen 2.964 N/A LEU 142.A N LYS 138.A O no hydrogen 2.927 N/A ASP 143.A N ALA 139.A O no hydrogen 3.090 N/A MET 144.A N ILE 141.A O no hydrogen 2.856 N/A ASP 146.A N ASP 143.A O no hydrogen 3.295 N/A ASN 147.A N MET 144.A O no hydrogen 3.019 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.769 N/A ILE 152.A N ASN 149.A OD1 no hydrogen 2.902 N/A ARG 153.A N ASN 149.A O no hydrogen 3.150 N/A ARG 153.A NH1 ASN 147.A O no hydrogen 2.667 N/A ARG 153.A NH2 ASP 150.A OD1 no hydrogen 2.782 N/A THR 154.A N ASP 150.A O no hydrogen 2.977 N/A THR 154.A OG1 ASP 150.A O no hydrogen 3.348 N/A THR 154.A OG1 ASN 222.A OD1 no hydrogen 3.072 N/A ASN 155.A N GLY 151.A O no hydrogen 3.109 N/A ASN 155.A ND2 GLN 104.A OE1 no hydrogen 2.891 N/A ALA 156.A N ILE 152.A O no hydrogen 2.925 N/A ILE 157.A N ARG 153.A O no hydrogen 2.860 N/A LYS 158.A N THR 154.A O no hydrogen 3.225 N/A PHE 159.A N ASN 155.A O no hydrogen 2.939 N/A LEU 160.A N ALA 156.A O no hydrogen 2.830 N/A GLU 161.A N ILE 157.A O no hydrogen 2.952 N/A GLY 162.A N LYS 158.A O no hydrogen 3.359 N/A VAL 163.A N PHE 159.A O no hydrogen 3.351 N/A VAL 164.A N LEU 160.A O no hydrogen 3.103 N/A VAL 165.A N GLU 161.A O no hydrogen 3.119 N/A LEU 166.A N GLY 162.A O no hydrogen 2.930 N/A GLN 167.A N VAL 163.A O no hydrogen 2.671 N/A SER 168.A OG VAL 164.A O no hydrogen 2.933 N/A SER 168.A OG VAL 165.A O no hydrogen 3.058 N/A ASP 171.A N SER 174.A OG no hydrogen 2.905 N/A ASP 173.A N ASP 171.A OD1 no hydrogen 2.716 N/A SER 174.A N ASP 171.A O no hydrogen 3.519 N/A SER 174.A OG ASP 171.A O no hydrogen 3.363 N/A SER 174.A OG ASP 171.A OD1 no hydrogen 3.073 N/A SER 174.A OG MET 236.A O no hydrogen 2.938 N/A LEU 175.A N LYS 235.A O no hydrogen 2.971 N/A ASP 180.A N ARG 177.A O no hydrogen 3.352 N/A SER 182.A N ASP 185.A OD2 no hydrogen 2.693 N/A SER 182.A OG ASP 185.A OD2 no hydrogen 3.483 N/A LEU 183.A N SER 168.A O no hydrogen 3.062 N/A ALA 184.A N SER 182.A OG no hydrogen 3.359 N/A ASP 185.A N SER 182.A O no hydrogen 2.790 N/A VAL 186.A N LEU 183.A O no hydrogen 3.402 N/A CYS 190.A N PRO 187.A O no hydrogen 3.350 N/A CYS 190.A SG CYS 118.A O no hydrogen 3.703 N/A THR 191.A OG1 HIS 189.A O no hydrogen 2.990 N/A ARG 194.A NE CYS 190.A O no hydrogen 3.208 N/A ARG 194.A NH2 CYS 190.A O no hydrogen 3.328 N/A ARG 195.A NH2 VAL 186.A O no hydrogen 2.882 N/A LYS 197.A N ARG 194.A O no hydrogen 2.884 N/A GLN 199.A N ARG 195.A O no hydrogen 2.855 N/A GLU 200.A N GLU 196.A O no hydrogen 2.847 N/A GLU 201.A N LYS 197.A O no hydrogen 3.003 N/A GLY 202.A N LEU 198.A O no hydrogen 2.608 N/A ASN 203.A N GLN 199.A O no hydrogen 2.965 N/A ASN 203.A ND2 GLN 199.A O no hydrogen 3.098 N/A ASN 204.A N GLU 200.A O no hydrogen 2.948 N/A ILE 205.A N GLU 201.A O no hydrogen 2.943 N/A LEU 206.A N GLY 202.A O no hydrogen 3.008 N/A ASP 207.A N ASN 203.A O no hydrogen 3.062 N/A ILE 208.A N ASN 204.A O no hydrogen 3.126 N/A LEU 209.A N ILE 205.A O no hydrogen 3.078 N/A LEU 210.A N LEU 206.A O no hydrogen 2.764 N/A GLN 211.A N ASP 207.A O no hydrogen 2.868 N/A PHE 212.A N ILE 208.A O no hydrogen 2.772 N/A HIS 213.A N LEU 209.A O no hydrogen 2.843 N/A GLY 214.A N GLN 211.A O no hydrogen 3.165 N/A THR 215.A N PHE 212.A O no hydrogen 3.146 N/A THR 215.A OG1 PHE 212.A O no hydrogen 3.048 N/A ILE 218.A N THR 215.A O no hydrogen 3.367 N/A SER 219.A OG ASP 150.A OD1 no hydrogen 2.614 N/A SER 219.A OG ASP 150.A OD2 no hydrogen 3.525 N/A ASN 222.A N SER 219.A OG no hydrogen 3.020 N/A LEU 223.A N SER 219.A O no hydrogen 2.773 N/A ILE 224.A N SER 220.A O no hydrogen 3.127 N/A ALA 225.A N VAL 221.A O no hydrogen 3.147 N/A CYS 226.A N ASN 222.A O no hydrogen 2.940 N/A CYS 226.A SG LEU 209.A O no hydrogen 3.520 N/A THR 227.A N LEU 223.A O no hydrogen 2.703 N/A THR 227.A OG1 LEU 223.A O no hydrogen 2.714 N/A SER 228.A N ILE 224.A O no hydrogen 2.771 N/A SER 229.A N ALA 225.A O no hydrogen 2.993 N/A SER 229.A OG GLU 161.A OE1 no hydrogen 2.737 N/A SER 229.A OG ALA 225.A O no hydrogen 3.028 N/A LEU 230.A N CYS 226.A O no hydrogen 3.062 N/A CYS 231.A N THR 227.A O no hydrogen 3.027 N/A CYS 231.A SG THR 227.A O no hydrogen 3.474 N/A THR 232.A N SER 228.A O no hydrogen 2.990 N/A THR 232.A OG1 SER 228.A O no hydrogen 3.312 N/A ILE 233.A N SER 229.A O no hydrogen 2.803 N/A ALA 234.A N LEU 230.A O no hydrogen 2.850 N/A LYS 235.A N CYS 231.A O no hydrogen 2.869 N/A MET 236.A N THR 232.A O no hydrogen 2.877 N/A ARG 237.A N ILE 233.A O no hydrogen 2.708 N/A ARG 237.A NE VAL 165.A O no hydrogen 3.136 N/A ARG 237.A NH1 ASP 180.A OD2 no hydrogen 3.389 N/A ARG 237.A NH1 MET 236.A O no hydrogen 2.671 N/A ARG 237.A NH2 ASP 180.A OD1 no hydrogen 3.162 N/A ARG 237.A NH2 ASP 180.A OD2 no hydrogen 3.331 N/A PHE 240.A N ARG 237.A O no hydrogen 3.086 N/A MET 241.A N PRO 238.A O no hydrogen 2.589 N/A VAL 244.A N PHE 240.A O no hydrogen 3.060 N/A VAL 245.A N MET 241.A O no hydrogen 2.978 N/A GLU 246.A N GLY 242.A O no hydrogen 2.992 N/A ALA 247.A N ALA 243.A O no hydrogen 3.051 N/A PHE 248.A N VAL 244.A O no hydrogen 3.012 N/A LYS 249.A N GLU 246.A O no hydrogen 3.160 N/A