Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4itu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N GLU 28.A OE1 no hydrogen 3.449 N/A ARG 2.A N GLU 28.A OE1 no hydrogen 2.974 N/A LEU 3.A N GLU 28.A O no hydrogen 2.831 N/A LYS 4.A N ASN 1.A O no hydrogen 3.329 N/A GLU 6.A N LEU 3.A O no hydrogen 2.975 N/A VAL 7.A N THR 84.A OG1 no hydrogen 3.060 N/A ILE 8.A N LYS 31.A O no hydrogen 2.877 N/A ALA 9.A N GLY 85.A O no hydrogen 2.968 N/A ILE 10.A N ALA 33.A O no hydrogen 2.927 N/A THR 11.A N VAL 87.A O no hydrogen 2.965 N/A THR 11.A OG1 VAL 87.A O no hydrogen 3.460 N/A GLY 13.A N ILE 35.A O no hydrogen 3.429 N/A GLY 14.A N ASP 36.A OD2 no hydrogen 2.982 N/A LEU 19.A N ALA 15.A O no hydrogen 3.271 N/A ALA 20.A N GLY 16.A O no hydrogen 3.107 N/A ILE 21.A N ILE 17.A O no hydrogen 2.850 N/A ALA 22.A N GLY 18.A O no hydrogen 3.011 N/A SER 23.A N LEU 19.A O no hydrogen 3.005 N/A ALA 24.A N ALA 20.A O no hydrogen 3.055 N/A ALA 25.A N ILE 21.A O no hydrogen 2.839 N/A LEU 26.A N ALA 22.A O no hydrogen 2.921 N/A ARG 27.A N SER 23.A O no hydrogen 3.052 N/A ARG 27.A NE GLU 28.A OE2 no hydrogen 2.894 N/A ARG 27.A NH1 GLU 226.A OE1 no hydrogen 2.731 N/A ARG 27.A NH2 GLU 28.A OE2 no hydrogen 2.996 N/A ARG 27.A NH2 GLU 226.A OE1 no hydrogen 3.383 N/A ARG 27.A NH2 GLU 226.A OE2 no hydrogen 2.992 N/A GLU 28.A N ALA 24.A O no hydrogen 3.127 N/A GLU 28.A N ALA 25.A O no hydrogen 3.153 N/A GLY 29.A N LEU 26.A O no hydrogen 2.994 N/A ALA 30.A N ALA 25.A O no hydrogen 3.041 N/A LYS 31.A N GLU 6.A O no hydrogen 2.989 N/A VAL 32.A N VAL 55.A O no hydrogen 3.094 N/A ALA 33.A N ILE 8.A O no hydrogen 2.872 N/A LEU 34.A N LYS 57.A O no hydrogen 2.804 N/A ILE 35.A N ILE 10.A O no hydrogen 2.972 N/A ASP 36.A N PHE 59.A O no hydrogen 3.042 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.936 N/A GLN 39.A NE2 GLU 43.A OE2 no hydrogen 3.181 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 3.056 N/A ALA 42.A N ASP 38.A O no hydrogen 3.080 N/A GLU 43.A N GLN 39.A O no hydrogen 2.918 N/A ARG 44.A N GLY 40.A O no hydrogen 2.773 N/A SER 45.A N LEU 41.A O no hydrogen 2.802 N/A SER 45.A OG GLY 14.A O no hydrogen 2.668 N/A SER 45.A OG LEU 41.A O no hydrogen 3.132 N/A ALA 46.A N ALA 42.A O no hydrogen 2.948 N/A ALA 47.A N GLU 43.A O no hydrogen 3.021 N/A MET 48.A N ARG 44.A O no hydrogen 2.977 N/A LEU 49.A N SER 45.A O no hydrogen 2.981 N/A LEU 49.A N ALA 46.A O no hydrogen 3.231 N/A SER 50.A N ALA 47.A O no hydrogen 3.308 N/A SER 50.A OG ALA 46.A O no hydrogen 2.943 N/A SER 50.A OG ALA 56.A O no hydrogen 2.974 N/A THR 51.A N LEU 49.A O no hydrogen 2.913 N/A ALA 54.A N THR 51.A O no hydrogen 3.034 N/A ALA 56.A N SER 50.A OG no hydrogen 3.107 N/A LYS 57.A N VAL 32.A O no hydrogen 3.063 N/A PHE 59.A N LEU 34.A O no hydrogen 2.788 N/A ALA 61.A N ASP 36.A O no hydrogen 2.985 N/A THR 64.A N ASP 62.A OD1 no hydrogen 2.918 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.818 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.365 N/A LYS 65.A N ASP 62.A O no hydrogen 2.934 N/A ILE 69.A N LYS 65.A O no hydrogen 3.003 N/A THR 70.A N ALA 66.A O no hydrogen 2.994 N/A THR 70.A OG1 ALA 66.A O no hydrogen 2.762 N/A ALA 71.A N ALA 67.A O no hydrogen 2.970 N/A ALA 72.A N ASP 68.A O no hydrogen 3.027 N/A ILE 73.A N ILE 69.A O no hydrogen 3.059 N/A THR 74.A N THR 70.A O no hydrogen 2.992 N/A THR 74.A OG1 THR 70.A O no hydrogen 3.048 N/A SER 75.A N ALA 71.A O no hydrogen 2.913 N/A SER 75.A OG ALA 71.A O no hydrogen 3.078 N/A ALA 76.A N ALA 72.A O no hydrogen 2.864 N/A GLU 77.A N ILE 73.A O no hydrogen 2.916 N/A GLN 78.A N THR 74.A O no hydrogen 3.009 N/A THR 79.A N SER 75.A O no hydrogen 2.989 N/A THR 79.A N ALA 76.A O no hydrogen 3.006 N/A THR 79.A OG1 SER 75.A O no hydrogen 2.613 N/A ILE 80.A N ALA 76.A O no hydrogen 2.782 N/A GLY 81.A N GLU 77.A O no hydrogen 2.900 N/A LEU 83.A N GLU 77.A OE2 no hydrogen 2.923 N/A THR 84.A N VAL 7.A O no hydrogen 2.912 N/A THR 84.A OG1 GLU 6.A OE1 no hydrogen 2.575 N/A THR 84.A OG1 VAL 7.A O no hydrogen 3.444 N/A GLY 85.A N VAL 7.A O no hydrogen 3.127 N/A LEU 86.A N THR 135.A O no hydrogen 2.956 N/A VAL 87.A N ALA 9.A O no hydrogen 2.816 N/A ASN 88.A N VAL 137.A O no hydrogen 2.813 N/A ASN 88.A ND2 SER 121.A OG no hydrogen 3.047 N/A ASN 88.A ND2 ASN 138.A OD1 no hydrogen 2.819 N/A ASN 89.A ND2 THR 11.A O no hydrogen 3.023 N/A ALA 90.A N THR 11.A OG1 no hydrogen 3.012 N/A GLY 96.A N THR 150.A O no hydrogen 2.856 N/A SER 97.A N ASP 100.A OD1 no hydrogen 2.974 N/A ASP 100.A N SER 97.A O no hydrogen 3.153 N/A ALA 101.A N SER 97.A O no hydrogen 2.746 N/A ALA 105.A N ASP 102.A OD2 no hydrogen 2.884 N/A TRP 106.A N ASP 102.A O no hydrogen 2.958 N/A ASP 107.A N ALA 103.A O no hydrogen 3.016 N/A ARG 108.A N ALA 104.A O no hydrogen 3.095 N/A ARG 108.A NH1 THR 64.A OG1 no hydrogen 3.010 N/A ARG 108.A NH2 ASP 62.A OD1 no hydrogen 3.527 N/A ARG 108.A NH2 ASP 62.A OD2 no hydrogen 3.176 N/A ILE 109.A N ALA 105.A O no hydrogen 3.046 N/A MET 110.A N TRP 106.A O no hydrogen 2.991 N/A ALA 111.A N ASP 107.A O no hydrogen 2.800 N/A VAL 112.A N ARG 108.A O no hydrogen 2.948 N/A ASN 113.A N ILE 109.A O no hydrogen 3.233 N/A ASN 113.A ND2 ILE 92.A O no hydrogen 2.979 N/A ASN 113.A ND2 ILE 109.A O no hydrogen 2.937 N/A VAL 114.A N MET 110.A O no hydrogen 2.831 N/A THR 115.A N MET 110.A O no hydrogen 3.293 N/A GLY 116.A N ALA 111.A O no hydrogen 2.849 N/A THR 117.A N ASN 113.A O no hydrogen 3.248 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.782 N/A PHE 118.A N VAL 114.A O no hydrogen 3.025 N/A LEU 119.A N THR 115.A O no hydrogen 2.716 N/A ALA 120.A N GLY 116.A O no hydrogen 2.880 N/A SER 121.A N THR 117.A O no hydrogen 3.081 N/A SER 121.A OG THR 117.A O no hydrogen 2.732 N/A LYS 122.A N PHE 118.A O no hydrogen 2.853 N/A ALA 123.A N LEU 119.A O no hydrogen 3.095 N/A ALA 124.A N ALA 120.A O no hydrogen 3.037 N/A LEU 125.A N SER 121.A O no hydrogen 2.755 N/A MET 128.A N ALA 124.A O no hydrogen 3.097 N/A LEU 129.A N LEU 125.A O no hydrogen 2.812 N/A GLU 130.A N ALA 126.A O no hydrogen 3.209 N/A ARG 131.A N GLY 127.A O no hydrogen 2.998 N/A ARG 131.A NH2 LEU 83.A O no hydrogen 2.975 N/A HIS 132.A N LEU 129.A O no hydrogen 3.076 N/A LYS 133.A N MET 128.A O no hydrogen 2.981 N/A GLY 134.A N GLY 176.A O no hydrogen 3.069 N/A THR 135.A N THR 84.A O no hydrogen 2.940 N/A THR 135.A OG1 LEU 231.A O no hydrogen 3.278 N/A ILE 136.A N ARG 178.A O no hydrogen 2.808 N/A VAL 137.A N LEU 86.A O no hydrogen 2.824 N/A ASN 138.A N ASN 180.A O no hydrogen 2.768 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.977 N/A GLY 140.A N VAL 182.A O no hydrogen 2.846 N/A VAL 142.A N PRO 184.A O no hydrogen 2.953 N/A ALA 143.A N SER 141.A OG no hydrogen 2.937 N/A GLY 144.A N SER 141.A O no hydrogen 2.876 N/A LEU 145.A N VAL 142.A O no hydrogen 2.990 N/A VAL 146.A N VAL 142.A O no hydrogen 2.999 N/A THR 150.A OG1 PRO 149.A O no hydrogen 2.599 N/A MET 151.A N ILE 148.A O no hydrogen 3.266 N/A ALA 152.A N GLY 96.A O no hydrogen 3.007 N/A CYS 155.A N MET 151.A O no hydrogen 2.924 N/A CYS 155.A SG ALA 143.A O no hydrogen 3.463 N/A CYS 155.A SG VAL 146.A O no hydrogen 4.030 N/A CYS 155.A SG MET 151.A O no hydrogen 3.309 N/A ALA 156.A N ALA 152.A O no hydrogen 2.963 N/A ALA 157.A N ALA 153.A O no hydrogen 2.823 N/A LYS 158.A N TYR 154.A O no hydrogen 2.910 N/A LYS 158.A NZ ASN 113.A OD1 no hydrogen 2.798 N/A LYS 158.A NZ PHE 139.A O no hydrogen 2.824 N/A GLY 159.A N CYS 155.A O no hydrogen 2.967 N/A ALA 160.A N ALA 156.A O no hydrogen 2.912 N/A ILE 161.A N ALA 157.A O no hydrogen 3.037 N/A VAL 162.A N LYS 158.A O no hydrogen 2.988 N/A ASN 163.A N GLY 159.A O no hydrogen 3.270 N/A LEU 164.A N ALA 160.A O no hydrogen 2.744 N/A THR 165.A N ILE 161.A O no hydrogen 2.934 N/A THR 165.A OG1 ILE 161.A O no hydrogen 2.776 N/A ARG 166.A N VAL 162.A O no hydrogen 3.437 N/A ARG 166.A NH1 ASN 163.A OD1 no hydrogen 2.944 N/A GLN 167.A N ASN 163.A O no hydrogen 2.992 N/A GLN 167.A NE2 ASP 171.A OD2 no hydrogen 2.842 N/A MET 168.A N LEU 164.A O no hydrogen 2.800 N/A ALA 169.A N THR 165.A O no hydrogen 2.964 N/A ALA 170.A N ARG 166.A O no hydrogen 2.988 N/A ASP 171.A N GLN 167.A O no hydrogen 3.124 N/A TYR 172.A N MET 168.A O no hydrogen 2.884 N/A SER 173.A N ALA 169.A O no hydrogen 3.069 N/A SER 173.A OG ALA 169.A O no hydrogen 2.565 N/A SER 173.A OG THR 240.A OG1 no hydrogen 2.757 N/A ARG 175.A N TYR 172.A O no hydrogen 2.854 N/A GLY 176.A N SER 173.A O no hydrogen 3.413 N/A VAL 177.A N TYR 172.A O no hydrogen 3.164 N/A ARG 178.A N GLY 134.A O no hydrogen 3.108 N/A ARG 178.A NH1 LEU 231.A O no hydrogen 3.003 N/A ARG 178.A NH1 VAL 239.A O no hydrogen 3.109 N/A ARG 178.A NH2 LEU 231.A O no hydrogen 2.942 N/A VAL 179.A N THR 240.A OG1 no hydrogen 3.192 N/A ASN 180.A N ILE 136.A O no hydrogen 2.960 N/A ASN 180.A ND2 VAL 239.A O no hydrogen 2.915 N/A ALA 181.A N ALA 242.A O no hydrogen 2.823 N/A VAL 182.A N ASN 138.A O no hydrogen 2.969 N/A CYS 183.A N PHE 244.A O no hydrogen 2.835 N/A GLY 185.A N VAL 246.A O no hydrogen 2.958 N/A THR 186.A N TYR 213.A OH no hydrogen 2.876 N/A THR 186.A OG1 TYR 213.A OH no hydrogen 3.132 N/A GLY 193.A N THR 190.A OG1 no hydrogen 3.037 N/A GLN 194.A N THR 190.A O no hydrogen 2.845 N/A GLN 194.A NE2 THR 188.A O no hydrogen 2.732 N/A GLN 195.A N GLY 191.A O no hydrogen 2.890 N/A GLN 195.A NE2 ALA 93.A O no hydrogen 2.950 N/A LEU 196.A N MET 192.A O no hydrogen 2.891 N/A LEU 197.A N GLY 193.A O no hydrogen 3.067 N/A GLY 198.A N GLN 194.A O no hydrogen 2.925 N/A SER 199.A N LEU 196.A O no hydrogen 3.292 N/A SER 199.A OG LEU 196.A O no hydrogen 2.753 N/A ASP 200.A N LEU 197.A O no hydrogen 2.976 N/A GLU 204.A N SER 202.A OG no hydrogen 3.038 N/A GLN 206.A N SER 202.A O no hydrogen 3.363 N/A ALA 207.A N PRO 203.A O no hydrogen 3.007 N/A ARG 208.A N GLU 204.A O no hydrogen 2.684 N/A ARG 208.A NH1 GLU 204.A OE2 no hydrogen 2.560 N/A ARG 209.A N VAL 205.A O no hydrogen 2.847 N/A LEU 210.A N GLN 206.A O no hydrogen 3.222 N/A ALA 211.A N ALA 207.A O no hydrogen 3.108 N/A LYS 212.A N ARG 209.A O no hydrogen 3.038 N/A TYR 213.A N LEU 210.A O no hydrogen 3.068 N/A TYR 213.A OH THR 186.A OG1 no hydrogen 3.132 N/A ILE 215.A N GLY 248.A O no hydrogen 3.030 N/A GLY 216.A N TYR 213.A O no hydrogen 2.910 N/A ARG 217.A NH1 ASP 223.A OD1 no hydrogen 3.458 N/A ARG 217.A NH1 ASP 223.A OD2 no hydrogen 3.342 N/A ARG 217.A NH2 PHE 218.A O no hydrogen 2.928 N/A ARG 217.A NH2 ASP 223.A OD2 no hydrogen 2.783 N/A GLY 219.A N THR 186.A O no hydrogen 2.816 N/A THR 220.A N ASP 223.A OD2 no hydrogen 2.859 N/A ASP 223.A N THR 220.A OG1 no hydrogen 3.051 N/A ILE 224.A N THR 220.A O no hydrogen 3.368 N/A ALA 225.A N PRO 221.A O no hydrogen 2.928 N/A GLU 226.A N GLU 222.A O no hydrogen 3.135 N/A VAL 228.A N ILE 224.A O no hydrogen 3.180 N/A ILE 229.A N ALA 225.A O no hydrogen 2.909 N/A PHE 230.A N GLU 226.A O no hydrogen 3.107 N/A LEU 231.A N ALA 227.A O no hydrogen 3.043 N/A LEU 232.A N VAL 228.A O no hydrogen 2.896 N/A SER 233.A N PHE 230.A O no hydrogen 3.064 N/A SER 233.A OG PHE 230.A O no hydrogen 2.650 N/A ALA 236.A N SER 233.A O no hydrogen 3.028 N/A VAL 239.A N ALA 236.A O no hydrogen 2.873 N/A THR 240.A OG1 SER 173.A OG no hydrogen 2.757 N/A GLY 241.A N VAL 179.A O no hydrogen 2.699 N/A ALA 242.A N ASN 180.A OD1 no hydrogen 2.967 N/A PHE 244.A N ALA 181.A O no hydrogen 2.784 N/A VAL 246.A N CYS 183.A O no hydrogen 3.062 N/A GLY 249.A N ASP 247.A OD1 no hydrogen 2.998 N/A MET 250.A N ASP 247.A O no hydrogen 3.037 N/A THR 251.A N ASP 247.A OD2 no hydrogen 2.899 N/A THR 251.A OG1 ASP 247.A OD2 no hydrogen 2.766 N/A ALA 252.A N GLY 249.A O no hydrogen 2.953 N/A