Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1so3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N HIS 185.A O no hydrogen 2.912 N/A LEU 5.A N ASP 29.A OD2 no hydrogen 2.921 N/A GLN 6.A N PHE 187.A O no hydrogen 2.955 N/A GLN 6.A NE2 GLU 32.A OE1 no hydrogen 3.003 N/A VAL 7.A N ILE 30.A O no hydrogen 3.033 N/A ALA 8.A N ALA 189.A O no hydrogen 3.064 N/A LEU 9.A N GLU 32.A O no hydrogen 3.008 N/A THR 13.A OG1 ASP 15.A OD1 no hydrogen 2.747 N/A MET 14.A N GLU 41.A OE2 no hydrogen 2.909 N/A SER 16.A OG ASN 11.A OD1 no hydrogen 2.930 N/A ALA 17.A N THR 13.A O no hydrogen 3.179 N/A TYR 18.A N MET 14.A O no hydrogen 2.913 N/A GLU 19.A N ASP 15.A O no hydrogen 3.264 N/A GLU 19.A N SER 16.A O no hydrogen 3.197 N/A THR 20.A N ALA 17.A O no hydrogen 2.944 N/A THR 21.A N ALA 17.A O no hydrogen 2.969 N/A THR 21.A OG1 TYR 53.A OH no hydrogen 2.792 N/A ARG 22.A N TYR 18.A O no hydrogen 2.912 N/A LEU 23.A N THR 20.A O no hydrogen 2.952 N/A ILE 24.A N THR 20.A O no hydrogen 3.087 N/A ALA 25.A N THR 21.A O no hydrogen 2.983 N/A GLU 27.A N ILE 24.A O no hydrogen 2.774 N/A ASP 29.A N LEU 5.A O no hydrogen 2.892 N/A ILE 30.A N LEU 5.A O no hydrogen 3.234 N/A ILE 31.A N ILE 57.A O no hydrogen 2.888 N/A GLU 32.A N VAL 7.A O no hydrogen 2.940 N/A VAL 33.A N LEU 59.A O no hydrogen 2.878 N/A GLY 34.A N LEU 9.A O no hydrogen 2.963 N/A THR 35.A OG1 ASP 61.A O no hydrogen 2.543 N/A CYS 38.A N GLY 34.A O no hydrogen 2.860 N/A CYS 38.A SG VAL 33.A O no hydrogen 3.779 N/A CYS 38.A SG GLY 34.A O no hydrogen 3.529 N/A VAL 39.A N THR 35.A O no hydrogen 2.991 N/A GLY 40.A N ILE 36.A O no hydrogen 2.933 N/A GLU 41.A N LEU 37.A O no hydrogen 2.891 N/A GLY 42.A N CYS 38.A O no hydrogen 2.835 N/A ARG 44.A NE ASP 48.A OD2 no hydrogen 3.218 N/A ARG 44.A NH2 ASP 48.A OD2 no hydrogen 2.930 N/A ALA 45.A N GLY 42.A O no hydrogen 2.978 N/A ARG 47.A N VAL 43.A O no hydrogen 3.207 N/A ARG 47.A NH1.B GLU 77.A O no hydrogen 3.066 N/A ARG 47.A NH2.B GLU 77.A O no hydrogen 3.119 N/A ASP 48.A N ARG 44.A O no hydrogen 2.770 N/A LEU 49.A N ALA 45.A O no hydrogen 3.087 N/A LYS 50.A N VAL 46.A O no hydrogen 3.063 N/A LYS 50.A NZ PRO 54.A O no hydrogen 3.107 N/A LYS 50.A NZ LYS 56.A O no hydrogen 2.841 N/A LYS 50.A NZ ASP 81.A OD1 no hydrogen 3.498 N/A LYS 50.A NZ ASP 81.A OD2 no hydrogen 2.676 N/A ALA 51.A N ARG 47.A O no hydrogen 3.086 N/A LEU 52.A N ASP 48.A O no hydrogen 3.028 N/A TYR 53.A N LEU 49.A O no hydrogen 2.878 N/A TYR 53.A OH THR 21.A OG1 no hydrogen 2.792 N/A HIS 55.A NE2 GLU 26.A OE1 no hydrogen 3.321 N/A HIS 55.A NE2 GLU 26.A OE2 no hydrogen 3.025 N/A LYS 56.A N TYR 53.A O no hydrogen 3.071 N/A LYS 56.A NZ VAL 28.A O no hydrogen 2.756 N/A VAL 58.A N ASP 81.A OD2 no hydrogen 2.852 N/A LEU 59.A N ILE 31.A O no hydrogen 3.017 N/A ALA 60.A N TRP 82.A O no hydrogen 2.804 N/A ASP 61.A N VAL 33.A O no hydrogen 2.924 N/A LYS 63.A N THR 84.A OG1 no hydrogen 2.998 N/A LYS 63.A NZ THR 35.A OG1 no hydrogen 2.884 N/A LYS 63.A NZ ASP 61.A OD1 no hydrogen 3.084 N/A ILE 64.A N THR 84.A O no hydrogen 3.000 N/A LEU 71.A N ALA 67.A O no hydrogen 2.910 N/A SER 72.A N GLY 68.A O no hydrogen 3.031 N/A SER 72.A OG.A GLY 68.A O no hydrogen 2.415 N/A SER 72.A OG.A LYS 69.A O no hydrogen 3.077 N/A SER 72.A OG.B ALA 97.A O no hydrogen 3.052 N/A ARG 73.A N LYS 69.A O no hydrogen 3.049 N/A ARG 73.A NH1 GLU 103.A OE1 no hydrogen 3.177 N/A ARG 73.A NH2 GLU 103.A OE1 no hydrogen 3.279 N/A ARG 73.A NH2 GLU 103.A OE2 no hydrogen 3.035 N/A MET 74.A N ILE 70.A O no hydrogen 2.995 N/A CYS 75.A N LEU 71.A O no hydrogen 3.115 N/A CYS 75.A SG LEU 71.A O no hydrogen 3.470 N/A PHE 76.A N SER 72.A O no hydrogen 2.785 N/A GLU 77.A N ARG 73.A O no hydrogen 2.823 N/A ALA 78.A N MET 74.A O no hydrogen 3.263 N/A ASN 79.A N PHE 76.A O no hydrogen 2.910 N/A ALA 80.A N CYS 75.A O no hydrogen 3.150 N/A ASP 81.A N VAL 58.A O no hydrogen 2.892 N/A TRP 82.A N VAL 58.A O no hydrogen 3.177 N/A VAL 83.A N ASP 107.A O no hydrogen 3.060 N/A THR 84.A N ALA 60.A O no hydrogen 3.158 N/A THR 84.A OG1 ASP 61.A OD1 no hydrogen 2.675 N/A VAL 85.A N GLN 109.A O no hydrogen 2.891 N/A ILE 86.A N ILE 64.A O no hydrogen 2.878 N/A CYS 87.A N GLU 111.A O no hydrogen 2.908 N/A CYS 87.A SG GLU 111.A O no hydrogen 3.324 N/A CYS 87.A SG THR 113.A O no hydrogen 3.271 N/A CYS 87.A SG TYR 115.A O no hydrogen 3.609 N/A ALA 89.A N ILE 86.A O no hydrogen 3.022 N/A ASN 92.A N ASP 90.A OD2 no hydrogen 2.880 N/A ASN 92.A ND2 ASP 90.A OD2 no hydrogen 2.686 N/A THR 93.A N ASP 90.A O no hydrogen 2.928 N/A THR 93.A OG1 ASP 66.A OD1 no hydrogen 3.475 N/A ALA 94.A N ASP 90.A O no hydrogen 3.380 N/A LYS 95.A N ILE 91.A O no hydrogen 2.980 N/A GLY 96.A N ASN 92.A O no hydrogen 2.932 N/A ALA 97.A N THR 93.A O no hydrogen 3.027 N/A LEU 98.A N ALA 94.A O no hydrogen 3.055 N/A ASP 99.A N LYS 95.A O no hydrogen 2.873 N/A VAL 100.A N GLY 96.A O no hydrogen 3.153 N/A ALA 101.A N ALA 97.A O no hydrogen 2.878 N/A LYS 102.A N LEU 98.A O no hydrogen 3.075 N/A PHE 104.A N ALA 101.A O no hydrogen 3.053 N/A ASN 105.A N LYS 102.A O no hydrogen 3.193 N/A GLY 106.A N ALA 101.A O no hydrogen 2.811 N/A ASP 107.A N ASP 81.A O no hydrogen 3.014 N/A GLN 109.A N VAL 83.A O no hydrogen 2.893 N/A ILE 110.A N GLN 131.A O no hydrogen 3.093 N/A GLU 111.A N VAL 85.A O no hydrogen 2.768 N/A LEU 112.A N VAL 133.A O no hydrogen 2.845 N/A THR 113.A OG1 ALA 135.A O no hydrogen 3.030 N/A THR 117.A N GLN 120.A OE1 no hydrogen 3.155 N/A GLN 120.A N THR 117.A OG1 no hydrogen 3.146 N/A GLN 120.A NE2 CYS 87.A O no hydrogen 2.885 N/A ALA 121.A N THR 117.A O no hydrogen 3.174 N/A GLN 122.A N TRP 118.A O no hydrogen 3.081 N/A GLN 122.A NE2 ASP 126.A OD1 no hydrogen 2.750 N/A GLN 122.A NE2 ASP 126.A OD2 no hydrogen 3.535 N/A GLN 123.A N GLU 119.A O no hydrogen 3.051 N/A TRP 124.A N GLN 120.A O no hydrogen 2.860 N/A ARG 125.A N ALA 121.A O no hydrogen 3.104 N/A ARG 125.A NE MET 161.A O no hydrogen 2.912 N/A ARG 125.A NH1 ILE 129.A O no hydrogen 2.850 N/A ASP 126.A N GLN 122.A O no hydrogen 2.911 N/A ALA 127.A N GLN 123.A O no hydrogen 2.866 N/A GLY 128.A N ARG 125.A O no hydrogen 2.963 N/A ILE 129.A N TRP 124.A O no hydrogen 2.959 N/A GLN 131.A NE2 ASP 107.A OD2 no hydrogen 2.899 N/A VAL 132.A N LYS 164.A O no hydrogen 3.189 N/A VAL 133.A N ILE 110.A O no hydrogen 2.890 N/A TYR 134.A N THR 166.A O no hydrogen 2.775 N/A TYR 134.A OH ASP 151.A OD1 no hydrogen 2.486 N/A ALA 135.A N LEU 112.A O no hydrogen 3.092 N/A ARG 136.A N THR 168.A O no hydrogen 3.006 N/A ARG 136.A NE GLY 169.A O no hydrogen 2.961 N/A ARG 136.A NH1 VAL 145.A O no hydrogen 2.852 N/A ARG 136.A NH2 GLY 169.A O no hydrogen 2.819 N/A ASP 139.A N SER 137.A OG no hydrogen 3.063 N/A ALA 140.A N SER 137.A OG no hydrogen 3.118 N/A GLN 141.A N SER 137.A O no hydrogen 2.848 N/A ALA 142.A N ARG 138.A O no hydrogen 2.939 N/A ALA 143.A N ASP 139.A O no hydrogen 2.981 N/A GLY 144.A N GLN 141.A O no hydrogen 2.932 N/A VAL 145.A N ALA 140.A O no hydrogen 3.043 N/A GLY 148.A N ASP 151.A OD2 no hydrogen 2.983 N/A ASP 151.A N GLY 148.A O no hydrogen 3.006 N/A ILE 152.A N GLY 148.A O no hydrogen 3.279 N/A THR 153.A N GLU 149.A O no hydrogen 2.929 N/A ALA 154.A N ALA 150.A O no hydrogen 2.990 N/A ILE 155.A N ASP 151.A O no hydrogen 2.884 N/A LYS 156.A N ILE 152.A O no hydrogen 3.018 N/A ARG 157.A N THR 153.A O no hydrogen 2.968 N/A LEU 158.A N ALA 154.A O no hydrogen 2.934 N/A SER 159.A N ILE 155.A O no hydrogen 2.872 N/A ASP 160.A N LYS 156.A O no hydrogen 2.846 N/A MET 161.A N ARG 157.A O no hydrogen 3.010 N/A MET 161.A N LEU 158.A O no hydrogen 3.097 N/A GLY 162.A N SER 159.A O no hydrogen 3.008 N/A PHE 163.A N LEU 158.A O no hydrogen 3.360 N/A LYS 164.A N GLY 130.A O no hydrogen 2.963 N/A THR 166.A N VAL 132.A O no hydrogen 2.899 N/A VAL 167.A N VAL 186.A O no hydrogen 2.944 N/A THR 168.A N TYR 134.A O no hydrogen 3.061 N/A ALA 172.A N ASP 175.A OD2 no hydrogen 2.932 N/A ASP 175.A N ALA 172.A O no hydrogen 2.998 N/A LEU 176.A N LEU 173.A O no hydrogen 3.204 N/A LEU 178.A N ASP 175.A O no hydrogen 3.050 N/A PHE 179.A N LEU 176.A O no hydrogen 3.174 N/A LYS 180.A N PRO 177.A O no hydrogen 3.308 N/A ILE 182.A N PHE 179.A O no hydrogen 3.178 N/A ILE 184.A N ILE 182.A O no hydrogen 2.853 N/A HIS 185.A N VAL 165.A O no hydrogen 2.799 N/A PHE 187.A N MET 4.A O no hydrogen 2.926 N/A ILE 188.A N VAL 167.A O no hydrogen 3.105 N/A ALA 189.A N GLN 6.A O no hydrogen 2.984 N/A ARG 191.A NH1 GLN 141.A OE1 no hydrogen 2.873 N/A SER 192.A OG.A LEU 171.A O no hydrogen 3.062 N/A SER 192.A OG.B LEU 171.A O no hydrogen 2.854 N/A ILE 193.A N GLY 190.A O no hydrogen 3.053 N/A ARG 194.A N GLY 190.A O no hydrogen 2.866 N/A ARG 194.A NH1 ALA 8.A O no hydrogen 2.773 N/A ASP 195.A N ARG 191.A O no hydrogen 2.905 N/A ALA 196.A N ILE 193.A O no hydrogen 3.334 N/A GLU 201.A N SER 198.A OG no hydrogen 3.244 N/A ALA 202.A N SER 198.A O no hydrogen 2.885 N/A ALA 203.A N PRO 199.A O no hydrogen 2.942 N/A ARG 204.A N VAL 200.A O no hydrogen 3.010 N/A ARG 204.A NE GLU 27.A OE1 no hydrogen 3.000 N/A ARG 204.A NH2 GLU 27.A OE2 no hydrogen 2.963 N/A GLN 205.A N GLU 201.A O no hydrogen 2.851 N/A PHE 206.A N ALA 202.A O no hydrogen 3.158 N/A LYS 207.A N ALA 203.A O no hydrogen 3.024 N/A LYS 207.A NZ ASP 29.A OD1 no hydrogen 2.968 N/A ARG 208.A N ARG 204.A O no hydrogen 2.835 N/A SER 209.A N GLN 205.A O no hydrogen 2.993 N/A ILE 210.A N PHE 206.A O no hydrogen 3.022 N/A ALA 211.A N LYS 207.A O no hydrogen 2.948 N/A GLU 212.A N ARG 208.A O no hydrogen 3.016 N/A LEU 213.A N SER 209.A O no hydrogen 2.821 N/A TRP 214.A N ILE 210.A O no hydrogen 2.889 N/A TRP 214.A NE1 ILE 182.A O no hydrogen 2.743 N/A