Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ws3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 27.A O no hydrogen 3.008 N/A ARG 2.A NH1 GLU 4.A OE2 no hydrogen 2.923 N/A LEU 3.A N LEU 25.A O no hydrogen 3.009 N/A PHE 5.A N TYR 23.A O no hydrogen 2.855 N/A SER 6.A N ILE 89.A O no hydrogen 2.930 N/A ILE 7.A N GLN 21.A O no hydrogen 2.833 N/A TYR 8.A N ILE 91.A O no hydrogen 2.967 N/A ARG 9.A N ARG 19.A O no hydrogen 2.779 N/A ARG 9.A NE ASP 102.A OD1 no hydrogen 2.905 N/A ARG 9.A NH1 ASP 46.A OD2 no hydrogen 2.956 N/A ARG 9.A NH2 SER 48.A OG no hydrogen 2.811 N/A ARG 9.A NH2 ASP 102.A OD1 no hydrogen 3.448 N/A ARG 9.A NH2 ASP 102.A OD2 no hydrogen 2.986 N/A TYR 10.A N ASP 102.A OD1 no hydrogen 2.964 N/A ASN 11.A N ASP 15.A OD2 no hydrogen 3.064 N/A ASP 13.A N ASN 11.A OD1 no hydrogen 3.090 N/A VAL 14.A N ASN 11.A O no hydrogen 3.060 N/A ASP 15.A N ASN 11.A O no hydrogen 2.632 N/A ARG 19.A N ARG 9.A O no hydrogen 3.053 N/A ARG 19.A NE ASP 15.A OD1 no hydrogen 3.050 N/A ARG 19.A NH1 GLN 21.A OE1 no hydrogen 2.905 N/A ARG 19.A NH2 GLN 21.A OE1 no hydrogen 3.196 N/A GLN 21.A N ILE 7.A O no hydrogen 2.918 N/A TYR 23.A N PHE 5.A O no hydrogen 2.973 N/A TYR 23.A OH ASP 46.A OD2 no hydrogen 2.658 N/A LEU 25.A N LEU 3.A O no hydrogen 2.981 N/A ALA 27.A N MET 1.A O no hydrogen 2.929 N/A ARG 31.A N ASP 28.A O no hydrogen 3.352 N/A MET 34.A N ASP 37.A OD2 no hydrogen 2.820 N/A LEU 35.A N THR 77.A O no hydrogen 2.816 N/A LEU 36.A N ALA 74.A O no hydrogen 3.206 N/A ALA 38.A N MET 34.A O no hydrogen 3.385 N/A LEU 39.A N LEU 35.A O no hydrogen 2.880 N/A ILE 40.A N LEU 36.A O no hydrogen 2.928 N/A GLN 41.A N ASP 37.A O no hydrogen 3.263 N/A LEU 42.A N ALA 38.A O no hydrogen 2.901 N/A LYS 43.A N LEU 39.A O no hydrogen 3.171 N/A LYS 43.A N ILE 40.A O no hydrogen 3.284 N/A LYS 43.A NZ PRO 47.A O no hydrogen 2.856 N/A LYS 43.A NZ LEU 49.A O no hydrogen 2.842 N/A GLU 44.A N GLN 41.A O no hydrogen 2.963 N/A LYS 45.A N GLN 41.A O no hydrogen 3.353 N/A ASP 46.A N LEU 42.A O no hydrogen 2.684 N/A SER 48.A N ASP 46.A OD1 no hydrogen 2.962 N/A SER 48.A OG ASP 46.A OD1 no hydrogen 2.977 N/A LEU 49.A N ASP 46.A O no hydrogen 3.302 N/A SER 50.A N ASP 102.A OD2 no hydrogen 3.083 N/A ARG 52.A NH1 VAL 105.A O no hydrogen 3.004 N/A ARG 53.A NH1 ARG 53.A O no hydrogen 3.098 N/A ARG 56.A NH1 CYS 55.A O no hydrogen 2.986 N/A CYS 60.A SG SER 62.A OG no hydrogen 3.027 N/A LEU 65.A N GLY 72.A O no hydrogen 2.844 N/A ASN 66.A N ARG 92.A O no hydrogen 2.793 N/A ASN 66.A ND2 ASN 71.A OD1 no hydrogen 3.299 N/A MET 67.A N LYS 70.A O no hydrogen 2.748 N/A ASN 68.A N VAL 90.A O no hydrogen 2.964 N/A LYS 70.A N MET 67.A O no hydrogen 2.956 N/A LYS 70.A NZ SER 214.A O no hydrogen 3.552 N/A ASN 71.A ND2 CYS 154.A O no hydrogen 3.039 N/A GLY 72.A N LEU 65.A O no hydrogen 2.989 N/A ALA 74.A N ASP 63.A O no hydrogen 2.990 N/A CYS 75.A SG ASP 63.A OD1 no hydrogen 3.582 N/A ILE 76.A N LEU 73.A O no hydrogen 3.291 N/A THR 77.A N ALA 74.A O no hydrogen 3.387 N/A THR 77.A OG1 LEU 73.A O no hydrogen 3.041 N/A ILE 79.A N MET 33.A O no hydrogen 2.774 N/A SER 80.A N ASP 32.A OD1 no hydrogen 3.219 N/A SER 80.A OG ASP 32.A OD2 no hydrogen 3.140 N/A ALA 81.A N PRO 78.A O no hydrogen 3.104 N/A LEU 82.A N ILE 79.A O no hydrogen 2.917 N/A ASN 83.A N ILE 79.A O no hydrogen 2.849 N/A LYS 87.A N GLN 84.A O no hydrogen 3.395 N/A LYS 88.A NZ ASP 22.A OD1 no hydrogen 3.140 N/A ILE 89.A N GLU 4.A O no hydrogen 2.898 N/A VAL 90.A N ASN 68.A OD1 no hydrogen 2.799 N/A ILE 91.A N SER 6.A O no hydrogen 2.842 N/A ARG 92.A N ASN 66.A O no hydrogen 3.051 N/A ILE 100.A N VAL 104.A O no hydrogen 2.872 N/A ARG 101.A N VAL 104.A O no hydrogen 3.463 N/A ARG 101.A NE ASP 102.A OD2 no hydrogen 2.890 N/A ARG 101.A NH2 SER 48.A O no hydrogen 2.594 N/A ASP 102.A N TYR 10.A O no hydrogen 2.822 N/A LEU 103.A N SER 50.A O no hydrogen 3.299 N/A VAL 104.A N ARG 101.A O no hydrogen 2.839 N/A ASP 106.A N PRO 98.A O no hydrogen 2.687 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 2.799 N/A TYR 111.A N MET 107.A O no hydrogen 3.116 N/A ALA 112.A N GLY 108.A O no hydrogen 2.909 N/A GLN 113.A N GLN 109.A O no hydrogen 3.122 N/A GLN 113.A NE2 PHE 169.A O no hydrogen 3.162 N/A GLU 115.A N TYR 111.A O no hydrogen 2.913 N/A LYS 116.A N ALA 112.A O no hydrogen 3.094 N/A LYS 116.A NZ GLN 113.A OE1 no hydrogen 3.129 N/A ILE 117.A N TYR 114.A O no hydrogen 3.206 N/A LYS 118.A N GLU 115.A O no hydrogen 3.219 N/A TYR 120.A N LYS 118.A O no hydrogen 2.876 N/A LEU 122.A N ASP 187.A OD1 no hydrogen 2.784 N/A ASN 123.A ND2 ARG 186.A O no hydrogen 2.952 N/A ASN 124.A N THR 188.A OG1 no hydrogen 2.937 N/A GLY 125.A N ASN 123.A OD1 no hydrogen 2.859 N/A GLN 126.A N ASN 124.A OD1 no hydrogen 3.042 N/A GLN 135.A NE2 ASP 184.A OD1 no hydrogen 3.025 N/A GLN 135.A NE2 SER 185.A OG no hydrogen 3.186 N/A MET 136.A N GLN 139.A OE1 no hydrogen 3.069 N/A GLN 139.A N MET 136.A O no hydrogen 2.606 N/A ARG 140.A N MET 136.A O no hydrogen 3.167 N/A ARG 140.A NH1 ARG 140.A O no hydrogen 2.945 N/A ARG 140.A NH1 ASP 144.A OD1 no hydrogen 2.866 N/A GLU 141.A N PRO 137.A O no hydrogen 2.906 N/A LYS 142.A N GLN 139.A O no hydrogen 3.031 N/A LEU 143.A N ARG 140.A O no hydrogen 2.952 N/A ASP 144.A N GLU 141.A O no hydrogen 3.124 N/A GLY 145.A N GLU 148.A OE1 no hydrogen 2.906 N/A GLY 145.A N GLU 148.A OE2 no hydrogen 3.157 N/A LEU 146.A N LEU 143.A O no hydrogen 3.046 N/A TYR 147.A N LEU 143.A O no hydrogen 3.150 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.605 N/A THR 157.A N ALA 153.A O no hydrogen 3.050 N/A THR 157.A OG1 ALA 153.A O no hydrogen 2.713 N/A THR 157.A OG1 CYS 154.A O no hydrogen 3.440 N/A SER 158.A N CYS 155.A O no hydrogen 2.952 N/A SER 158.A OG CYS 154.A O no hydrogen 3.376 N/A SER 158.A OG CYS 155.A O no hydrogen 2.687 N/A CYS 159.A N SER 156.A O no hydrogen 3.067 N/A SER 161.A OG ARG 205.A O no hydrogen 2.539 N/A TRP 163.A N CYS 159.A O no hydrogen 2.936 N/A TRP 163.A NE1 THR 157.A O no hydrogen 3.144 N/A TRP 164.A N PRO 160.A O no hydrogen 2.954 N/A ASN 165.A N SER 161.A O no hydrogen 3.251 N/A LYS 168.A N ASN 165.A O no hydrogen 3.132 N/A PHE 169.A N ASN 165.A O no hydrogen 2.994 N/A ILE 170.A N SER 202.A O no hydrogen 3.215 N/A ALA 173.A N SER 156.A OG no hydrogen 3.371 N/A LEU 175.A N GLY 171.A O no hydrogen 2.869 N/A LEU 176.A N PRO 172.A O no hydrogen 2.834 N/A ALA 177.A N ALA 173.A O no hydrogen 3.229 N/A ALA 178.A N GLY 174.A O no hydrogen 2.847 N/A TYR 179.A N LEU 175.A O no hydrogen 2.888 N/A ARG 180.A N LEU 176.A O no hydrogen 2.992 N/A ARG 180.A NH1 ARG 180.A O no hydrogen 2.691 N/A ARG 180.A NH1 ASP 184.A OD2 no hydrogen 2.920 N/A PHE 181.A N ALA 177.A O no hydrogen 3.299 N/A PHE 181.A N ALA 178.A O no hydrogen 3.126 N/A LEU 182.A N ALA 178.A O no hydrogen 2.948 N/A ILE 183.A N TYR 179.A O no hydrogen 2.999 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 2.839 N/A ARG 186.A NE ASP 184.A OD1 no hydrogen 2.953 N/A ARG 186.A NE ASP 184.A OD2 no hydrogen 3.347 N/A ARG 186.A NH2 ASP 184.A OD2 no hydrogen 2.795 N/A ASP 187.A N ASP 184.A O no hydrogen 2.991 N/A THR 188.A N LEU 122.A O no hydrogen 2.898 N/A THR 188.A OG1 LEU 122.A O no hydrogen 3.285 N/A THR 188.A OG1 GLU 189.A OE2 no hydrogen 3.009 N/A THR 190.A OG1 LEU 182.A O no hydrogen 3.428 N/A ARG 193.A N GLU 189.A O no hydrogen 3.120 N/A ARG 193.A NE ASP 187.A OD2 no hydrogen 3.173 N/A ARG 193.A NH1 LYS 118.A O no hydrogen 2.673 N/A ARG 193.A NH2 TYR 120.A O no hydrogen 2.853 N/A ARG 193.A NH2 ASP 187.A OD1 no hydrogen 2.786 N/A LEU 194.A N THR 190.A O no hydrogen 3.058 N/A ASP 195.A N ASP 191.A O no hydrogen 2.886 N/A GLY 196.A N ARG 193.A O no hydrogen 2.895 N/A LEU 197.A N LEU 194.A O no hydrogen 2.892 N/A SER 198.A OG LEU 194.A O no hydrogen 3.054 N/A SER 198.A OG ASN 237.A OD1 no hydrogen 2.990 N/A PHE 201.A N ASP 199.A OD2 no hydrogen 3.007 N/A SER 202.A N ASP 199.A OD2 no hydrogen 2.895 N/A SER 202.A OG ASP 199.A OD1 no hydrogen 2.965 N/A SER 202.A OG ASP 199.A OD2 no hydrogen 3.427 N/A CYS 206.A N VAL 203.A O no hydrogen 3.127 N/A CYS 212.A SG THR 223.A OG1 no hydrogen 3.617 N/A SER 214.A OG ASN 211.A O no hydrogen 3.164 N/A VAL 215.A N CYS 212.A O no hydrogen 3.423 N/A CYS 216.A N VAL 213.A O no hydrogen 3.426 N/A LYS 218.A NZ GLY 58.A O no hydrogen 3.034 N/A GLY 219.A N CYS 216.A O no hydrogen 3.063 N/A ARG 224.A N ASN 221.A OD1 no hydrogen 2.933 N/A ALA 225.A N ASN 221.A O no hydrogen 3.361 N/A ILE 226.A N PRO 222.A O no hydrogen 2.742 N/A GLY 227.A N THR 223.A O no hydrogen 2.743 N/A HIS 228.A N ARG 224.A O no hydrogen 3.124 N/A ILE 229.A N ALA 225.A O no hydrogen 3.038 N/A LYS 230.A N ILE 226.A O no hydrogen 2.859 N/A LYS 230.A NZ CYS 206.A O no hydrogen 3.255 N/A SER 231.A N GLY 227.A O no hydrogen 2.944 N/A MET 232.A N HIS 228.A O no hydrogen 3.040 N/A LEU 233.A N ILE 229.A O no hydrogen 2.921 N/A LEU 234.A N LYS 230.A O no hydrogen 2.933 N/A GLN 235.A N SER 231.A O no hydrogen 2.906 N/A ARG 236.A N MET 232.A O no hydrogen 3.085 N/A ARG 236.A NE ASP 195.A OD1 no hydrogen 2.649 N/A ARG 236.A NH2 ASP 195.A OD1 no hydrogen 3.242 N/A ARG 236.A NH2 ASP 195.A OD2 no hydrogen 3.049 N/A ASN 237.A N LEU 233.A O no hydrogen 2.783 N/A ALA 238.A N LEU 234.A O no hydrogen 3.043 N/A