Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f1s_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 11.A SG PHE 14.A O no hydrogen 3.450 N/A GLN 12.A N LYS 37.A O no hydrogen 2.985 N/A PHE 14.A N SER 25.A O no hydrogen 2.959 N/A GLY 18.A N ASN 1.A O no hydrogen 3.431 N/A SER 21.A N GLY 18.A O no hydrogen 3.150 N/A THR 23.A N LEU 16.A O no hydrogen 3.027 N/A CYS 24.A SG HIS 36.A O no hydrogen 3.245 N/A SER 25.A N PHE 14.A O no hydrogen 3.122 N/A ALA 27.A N HIS 13.A ND1 no hydrogen 3.234 N/A GLN 28.A NE2 THR 147.A O no hydrogen 3.146 N/A TYR 30.A N ALA 27.A O no hydrogen 3.325 N/A TYR 30.A OH CYS 47.A O no hydrogen 2.536 N/A ARG 31.A N VAL 40.A O no hydrogen 2.677 N/A GLY 33.A N GLN 38.A O no hydrogen 2.950 N/A HIS 36.A N GLY 33.A O no hydrogen 3.305 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.236 N/A GLN 38.A N ASP 35.A OD1 no hydrogen 3.091 N/A CYS 39.A N GLN 12.A OE1 no hydrogen 3.165 N/A CYS 39.A SG HIS 13.A ND1 no hydrogen 3.063 N/A CYS 39.A SG SER 25.A O no hydrogen 3.968 N/A VAL 40.A N ARG 31.A O no hydrogen 2.923 N/A HIS 42.A N GLY 29.A O no hydrogen 3.134 N/A ASP 43.A N GLY 29.A O no hydrogen 3.379 N/A CYS 47.A N GLN 28.A O no hydrogen 3.235 N/A CYS 47.A SG GLN 28.A O no hydrogen 3.501 N/A CYS 47.A SG GLN 28.A OE1 no hydrogen 3.765 N/A GLY 48.A N PRO 144.A O no hydrogen 3.004 N/A GLN 57.A N LEU 54.A O no hydrogen 3.365 N/A GLN 57.A NE2 SER 166.A O no hydrogen 3.071 N/A GLN 57.A NE2 SER 166.A OG no hydrogen 2.629 N/A VAL 58.A N GLY 71.A O no hydrogen 2.874 N/A LYS 59.A N LYS 95.A O no hydrogen 2.864 N/A LYS 59.A NZ TYR 97.A OH no hydrogen 2.974 N/A LEU 60.A N CYS 69.A O no hydrogen 2.799 N/A THR 61.A N THR 93.A O no hydrogen 2.706 N/A THR 61.A OG1 ASP 67.A OD1 no hydrogen 2.677 N/A ASN 62.A N LYS 66.A O no hydrogen 3.017 N/A ASN 62.A ND2 HIS 89.A NE2 no hydrogen 3.373 N/A GLY 65.A N ASN 62.A O no hydrogen 2.941 N/A LYS 66.A N ASN 62.A OD1 no hydrogen 2.717 N/A PHE 68.A N LEU 60.A O no hydrogen 3.051 N/A CYS 69.A SG PHE 68.A O no hydrogen 3.427 N/A CYS 69.A SG ASP 211.A O no hydrogen 3.781 N/A GLY 70.A N ASP 211.A O no hydrogen 2.916 N/A GLY 71.A N VAL 58.A O no hydrogen 2.858 N/A VAL 72.A N LEU 80.A O no hydrogen 3.061 N/A ILE 73.A N TRP 56.A O no hydrogen 2.825 N/A ILE 74.A N PHE 78.A O no hydrogen 3.067 N/A ARG 75.A N PHE 78.A O no hydrogen 3.228 N/A ARG 75.A NH1 ASN 258.A OD1 no hydrogen 2.662 N/A ARG 75.A NH2 ASN 258.A OD1 no hydrogen 3.425 N/A PHE 78.A N ARG 75.A O no hydrogen 2.885 N/A VAL 79.A N LEU 130.A O no hydrogen 3.031 N/A LEU 80.A N VAL 72.A O no hydrogen 2.844 N/A THR 81.A N SER 128.A O no hydrogen 3.130 N/A THR 81.A OG1 GLY 70.A O no hydrogen 2.989 N/A LYS 84.A N ASP 126.A OD1 no hydrogen 3.000 N/A LYS 84.A NZ TYR 118.A OH no hydrogen 3.058 N/A LYS 84.A NZ ALA 120.A O no hydrogen 3.327 N/A CYS 85.A N THR 82.A OG1 no hydrogen 3.012 N/A CYS 85.A SG THR 82.A OG1 no hydrogen 3.054 N/A SER 86.A N THR 82.A O no hydrogen 3.260 N/A SER 86.A OG THR 82.A O no hydrogen 3.454 N/A SER 86.A OG ALA 83.A O no hydrogen 2.752 N/A SER 86.A OG SER 128.A OG no hydrogen 2.666 N/A LEU 87.A N ALA 83.A O no hydrogen 3.040 N/A LEU 87.A N LYS 84.A O no hydrogen 3.300 N/A LEU 88.A N CYS 85.A O no hydrogen 3.320 N/A THR 93.A N THR 61.A O no hydrogen 2.769 N/A VAL 94.A N ILE 107.A O no hydrogen 2.886 N/A LYS 95.A N LYS 59.A O no hydrogen 2.949 N/A LYS 95.A NZ ASP 67.A OD1 no hydrogen 3.062 N/A LYS 95.A NZ ASP 67.A OD2 no hydrogen 3.112 N/A THR 96.A N LEU 105.A O no hydrogen 3.167 N/A THR 96.A OG1 GLN 57.A O no hydrogen 3.564 N/A PHE 98.A N THR 96.A OG1 no hydrogen 3.233 N/A ASN 99.A ND2 GLY 140.A O no hydrogen 3.190 N/A ARG 100.A NE ASP 103.A O no hydrogen 2.612 N/A ARG 100.A NH2 ASP 103.A O no hydrogen 3.022 N/A ARG 100.A NH2 ASP 103.A OD2 no hydrogen 3.340 N/A GLN 102.A N SER 101.A OG no hydrogen 2.760 N/A LEU 105.A N THR 96.A O no hydrogen 3.050 N/A ILE 107.A N VAL 94.A O no hydrogen 2.828 N/A THR 110.A N GLU 131.A O no hydrogen 3.058 N/A THR 110.A OG1 HIS 111.A ND1 no hydrogen 3.139 N/A THR 110.A OG1 GLU 131.A O no hydrogen 3.463 N/A HIS 111.A ND1 GLU 131.A OE2 no hydrogen 3.147 N/A HIS 113.A N LEU 129.A O no hydrogen 2.865 N/A HIS 115.A N LEU 127.A O no hydrogen 3.025 N/A ARG 117.A N HIS 115.A ND1 no hydrogen 2.952 N/A TYR 118.A N HIS 115.A O no hydrogen 3.057 N/A ASP 119.A N GLU 124.A O no hydrogen 3.140 N/A ALA 122.A N ASP 119.A OD2 no hydrogen 3.245 N/A GLY 123.A N ASP 119.A O no hydrogen 2.808 N/A ASN 125.A ND2 ARG 117.A O no hydrogen 3.002 N/A LEU 127.A N ASN 125.A O no hydrogen 2.972 N/A SER 128.A N THR 81.A O no hydrogen 2.922 N/A SER 128.A OG THR 82.A O no hydrogen 3.042 N/A SER 128.A OG SER 86.A OG no hydrogen 2.666 N/A LEU 129.A N HIS 113.A O no hydrogen 2.876 N/A LEU 130.A N VAL 79.A O no hydrogen 2.862 N/A GLU 131.A N HIS 111.A O no hydrogen 3.035 N/A LEU 132.A N ASN 77.A O no hydrogen 2.945 N/A GLU 133.A N LYS 108.A O no hydrogen 2.867 N/A ILE 136.A N GLU 76.A O no hydrogen 2.957 N/A CYS 138.A SG ILE 136.A O no hydrogen 3.821 N/A CYS 138.A SG GLY 142.A O no hydrogen 3.852 N/A ALA 141.A N GLN 137.A O no hydrogen 2.809 N/A LEU 143.A N PRO 55.A O no hydrogen 3.189 N/A VAL 145.A N ILE 73.A O no hydrogen 2.875 N/A CYS 146.A N TRP 223.A O no hydrogen 3.230 N/A THR 147.A N GLN 28.A OE1 no hydrogen 2.829 N/A LYS 150.A NZ GLU 154.A OE1 no hydrogen 3.384 N/A LYS 150.A NZ GLU 154.A OE2 no hydrogen 2.849 N/A ASP 151.A N GLU 149.A OE2 no hydrogen 3.405 N/A PHE 152.A N GLU 149.A OE1 no hydrogen 2.815 N/A ALA 153.A N GLU 149.A O no hydrogen 3.141 N/A GLU 154.A N LYS 150.A O no hydrogen 3.124 N/A HIS 155.A N ASP 151.A O no hydrogen 2.916 N/A HIS 155.A ND1 ASP 151.A O no hydrogen 3.030 N/A LEU 156.A N PHE 152.A O no hydrogen 2.883 N/A LEU 157.A N PHE 152.A O no hydrogen 3.289 N/A ILE 158.A N ALA 153.A O no hydrogen 2.982 N/A ARG 160.A NE HIS 155.A O no hydrogen 2.979 N/A THR 161.A N LEU 157.A O no hydrogen 2.884 N/A GLY 163.A N VAL 177.A O no hydrogen 2.843 N/A LEU 164.A N THR 216.A O no hydrogen 2.840 N/A LEU 165.A N ARG 175.A O no hydrogen 2.782 N/A SER 166.A N VAL 214.A O no hydrogen 2.867 N/A GLY 167.A N THR 173.A O no hydrogen 3.206 N/A TRP 168.A NE1 VAL 58.A O no hydrogen 3.181 N/A ARG 170.A N HIS 208.A O no hydrogen 3.116 N/A ARG 170.A NH1 ASP 211.A OD1 no hydrogen 3.424 N/A ARG 170.A NH2 TRP 209.A O no hydrogen 3.176 N/A ARG 170.A NH2 ASP 211.A OD1 no hydrogen 2.751 N/A THR 173.A N GLY 167.A O no hydrogen 2.729 N/A THR 173.A OG1 HIS 208.A NE2 no hydrogen 2.950 N/A ARG 175.A N LEU 165.A O no hydrogen 3.023 N/A VAL 177.A N GLY 163.A O no hydrogen 2.788 N/A THR 178.A N ARG 201.A O no hydrogen 3.366 N/A VAL 180.A N CYS 199.A O no hydrogen 3.244 N/A CYS 185.A N GLU 181.A O no hydrogen 3.048 N/A GLY 186.A N GLY 182.A O no hydrogen 2.841 N/A VAL 188.A N GLU 184.A O no hydrogen 3.006 N/A LEU 189.A N CYS 185.A O no hydrogen 2.844 N/A VAL 191.A N GLY 186.A O no hydrogen 2.840 N/A THR 194.A N THR 197.A OG1 no hydrogen 3.275 N/A THR 194.A OG1 THR 197.A OG1 no hydrogen 3.172 N/A ARG 196.A NH1 ASN 125.A OD1 no hydrogen 3.010 N/A THR 197.A N THR 194.A O no hydrogen 3.271 N/A THR 197.A OG1 THR 194.A O no hydrogen 3.350 N/A THR 197.A OG1 THR 194.A OG1 no hydrogen 3.172 N/A TYR 198.A N VAL 243.A O no hydrogen 3.010 N/A TYR 198.A OH GLU 200.A OE1 no hydrogen 2.908 N/A TYR 198.A OH THR 226.A O no hydrogen 3.404 N/A GLU 200.A N VAL 241.A O no hydrogen 2.894 N/A ARG 201.A N THR 178.A O no hydrogen 2.636 N/A ARG 201.A NH2 GLU 184.A OE1 no hydrogen 3.191 N/A SER 202.A N HIS 239.A O no hydrogen 2.706 N/A SER 202.A OG VAL 204.A O no hydrogen 2.789 N/A VAL 204.A N SER 202.A OG no hydrogen 3.235 N/A MET 207.A N GLY 236.A O no hydrogen 2.617 N/A HIS 208.A N ALA 205.A O no hydrogen 3.241 N/A HIS 208.A NE2 THR 173.A OG1 no hydrogen 2.950 N/A TRP 209.A N ALA 206.A O no hydrogen 3.126 N/A TRP 209.A NE1 THR 173.A O no hydrogen 2.807 N/A MET 210.A N TRP 168.A O no hydrogen 2.989 N/A GLY 212.A N LEU 229.A O no hydrogen 2.784 N/A SER 213.A N MET 210.A O no hydrogen 3.269 N/A SER 213.A OG MET 210.A O no hydrogen 2.689 N/A VAL 214.A N SER 166.A O no hydrogen 3.089 N/A VAL 215.A N GLY 227.A O no hydrogen 3.017 N/A THR 216.A N LEU 164.A O no hydrogen 2.829 N/A THR 216.A OG1 LEU 164.A O no hydrogen 3.494 N/A ARG 217.A N PHE 224.A O no hydrogen 2.859 N/A ARG 217.A NH1 THR 161.A O no hydrogen 2.223 N/A ARG 217.A NH2 GLU 200.A OE1 no hydrogen 2.690 N/A HIS 219.A N SER 222.A O no hydrogen 2.842 N/A HIS 219.A NE2 GLN 12.A O no hydrogen 2.814 N/A GLY 221.A N GLU 218.A OE2 no hydrogen 2.770 N/A SER 222.A N HIS 219.A O no hydrogen 3.215 N/A SER 222.A OG TYR 30.A OH no hydrogen 3.265 N/A TRP 223.A N GLY 48.A O no hydrogen 2.850 N/A PHE 224.A N ARG 217.A O no hydrogen 2.764 N/A LEU 225.A N CYS 146.A O no hydrogen 2.876 N/A THR 226.A N VAL 215.A O no hydrogen 3.066 N/A THR 226.A OG1 TYR 198.A OH no hydrogen 2.934 N/A GLY 227.A N VAL 215.A O no hydrogen 3.333 N/A VAL 228.A N THR 244.A O no hydrogen 3.188 N/A LEU 229.A N SER 213.A O no hydrogen 2.751 N/A GLN 232.A NE2 GLY 230.A O no hydrogen 3.033 N/A GLN 232.A NE2 LEU 242.A O no hydrogen 2.818 N/A GLY 236.A N PRO 233.A O no hydrogen 2.869 N/A VAL 241.A N GLU 200.A O no hydrogen 2.787 N/A LEU 242.A N GLN 232.A OE1 no hydrogen 3.086 N/A VAL 243.A N TYR 198.A O no hydrogen 2.921 N/A THR 244.A N VAL 228.A O no hydrogen 2.745 N/A LYS 245.A N ARG 196.A O no hydrogen 2.841 N/A LYS 245.A NZ THR 195.A O no hydrogen 2.962 N/A VAL 246.A N THR 226.A O no hydrogen 3.417 N/A SER 247.A OG GLU 154.A OE1 no hydrogen 2.604 N/A ARG 248.A N LYS 245.A O no hydrogen 3.101 N/A ARG 248.A NE GLU 154.A OE1 no hydrogen 2.731 N/A ARG 248.A NH2 GLU 154.A OE2 no hydrogen 3.317 N/A TYR 249.A N VAL 246.A O no hydrogen 2.987 N/A TYR 249.A OH ASN 125.A OD1 no hydrogen 2.696 N/A PHE 253.A N TYR 249.A O no hydrogen 3.079 N/A LYS 254.A N SER 250.A O no hydrogen 3.250 N/A GLN 255.A N LEU 251.A O no hydrogen 2.904 N/A ILE 256.A N TRP 252.A O no hydrogen 2.980 N/A MET 257.A N PHE 253.A O no hydrogen 2.841 N/A ASN 258.A N LYS 254.A O no hydrogen 3.017 N/A ALA 259.A N ILE 256.A O no hydrogen 2.993 N/A