Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1zi3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 17.A N LYS 14.A O no hydrogen 3.060 N/A CYS 19.A SG GLY 37.A O no hydrogen 3.230 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 2.816 N/A ARG 20.A NH1 ASP 22.A OD1 no hydrogen 3.471 N/A ARG 20.A NH1 ASP 22.A OD2 no hydrogen 2.769 N/A ARG 20.A NH1 VAL 253.A O no hydrogen 3.079 N/A ARG 20.A NH2 GLU 36.A O no hydrogen 3.008 N/A ASP 22.A N ASP 22.A OD1 no hydrogen 2.619 N/A THR 27.A N ALA 31.A O no hydrogen 2.829 N/A THR 27.A OG1 ALA 31.A O no hydrogen 3.528 N/A TRP 29.A N THR 27.A OG1 no hydrogen 3.259 N/A TRP 29.A NE1 PRO 233.A O no hydrogen 2.755 N/A LEU 30.A N THR 27.A O no hydrogen 2.860 N/A ALA 31.A N THR 27.A OG1 no hydrogen 3.020 N/A ILE 33.A N VAL 25.A O no hydrogen 2.857 N/A VAL 34.A N VAL 236.A O no hydrogen 2.856 N/A TRP 35.A NE1 LEU 24.A O no hydrogen 3.038 N/A GLU 36.A N GLU 240.A OE1 no hydrogen 2.647 N/A THR 38.A N TRP 35.A O no hydrogen 3.137 N/A THR 38.A OG1 TRP 35.A O no hydrogen 2.737 N/A ILE 43.A N ASN 40.A OD1 no hydrogen 3.034 N/A LEU 44.A N ASN 40.A O no hydrogen 3.251 N/A ASN 45.A N ILE 41.A O no hydrogen 2.732 N/A GLU 46.A N ASP 42.A O no hydrogen 3.102 N/A GLN 47.A N ILE 43.A O no hydrogen 3.030 N/A PHE 48.A N LEU 44.A O no hydrogen 2.998 N/A ARG 49.A N ASN 45.A O no hydrogen 2.861 N/A LEU 50.A N GLU 46.A O no hydrogen 3.011 N/A GLN 51.A N PHE 48.A O no hydrogen 3.155 N/A ASN 52.A N ARG 49.A O no hydrogen 2.851 N/A THR 53.A N PHE 48.A O no hydrogen 3.260 N/A THR 53.A OG1 PHE 48.A O no hydrogen 2.767 N/A THR 54.A N ASP 123.A OD1 no hydrogen 2.949 N/A ILE 55.A N ARG 85.A O no hydrogen 2.848 N/A GLY 56.A N TYR 124.A O no hydrogen 2.789 N/A LEU 57.A N HIS 87.A O no hydrogen 2.934 N/A THR 58.A N VAL 126.A O no hydrogen 2.860 N/A THR 58.A OG1 VAL 126.A O no hydrogen 3.556 N/A VAL 59.A N TYR 89.A O no hydrogen 3.048 N/A ALA 61.A N PHE 91.A O no hydrogen 2.799 N/A LYS 63.A N ASP 93.A OD1 no hydrogen 3.009 N/A LYS 63.A N ASP 93.A OD2 no hydrogen 3.422 N/A TYR 65.A N ILE 62.A O no hydrogen 3.011 N/A VAL 66.A N LYS 63.A O no hydrogen 3.177 N/A ALA 67.A N LYS 64.A O no hydrogen 3.171 N/A PHE 68.A N TYR 65.A O no hydrogen 3.004 N/A LEU 69.A N VAL 66.A O no hydrogen 3.273 N/A LYS 70.A NZ GLU 74.A OE1 no hydrogen 2.588 N/A PHE 72.A N PHE 68.A O no hydrogen 3.126 N/A LEU 73.A N LEU 69.A O no hydrogen 2.845 N/A GLU 74.A N LYS 70.A O no hydrogen 2.899 N/A THR 75.A N LEU 71.A O no hydrogen 3.009 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.836 N/A THR 75.A OG1 PHE 72.A O no hydrogen 3.108 N/A ALA 76.A N PHE 72.A O no hydrogen 2.986 N/A GLU 77.A N LEU 73.A O no hydrogen 2.955 N/A LYS 78.A N THR 75.A O no hydrogen 3.047 N/A HIS 79.A N THR 75.A O no hydrogen 2.952 N/A PHE 80.A N ALA 76.A O no hydrogen 2.774 N/A MET 81.A N VAL 138.A O no hydrogen 2.912 N/A HIS 84.A N MET 81.A O no hydrogen 3.007 N/A VAL 86.A N GLY 106.A O no hydrogen 3.248 N/A HIS 87.A N ILE 55.A O no hydrogen 2.904 N/A HIS 87.A NE2 SER 110.A OG no hydrogen 2.636 N/A TYR 88.A N GLN 108.A O no hydrogen 2.749 N/A TYR 88.A OH GLU 77.A OE2 no hydrogen 2.646 N/A TYR 89.A N LEU 57.A O no hydrogen 2.794 N/A TYR 89.A OH GLU 121.A OE1 no hydrogen 2.626 N/A VAL 90.A N SER 110.A O no hydrogen 2.915 N/A PHE 91.A N VAL 59.A O no hydrogen 2.928 N/A THR 92.A N LEU 112.A O no hydrogen 3.015 N/A THR 92.A OG1 ALA 61.A O no hydrogen 2.694 N/A THR 92.A OG1 ASP 93.A OD1 no hydrogen 3.568 N/A GLN 94.A N THR 92.A OG1 no hydrogen 2.946 N/A ALA 97.A N GLN 94.A O no hydrogen 2.810 N/A VAL 98.A N PRO 95.A O no hydrogen 3.174 N/A GLY 104.A N GLU 77.A OE1 no hydrogen 2.689 N/A ARG 107.A N GLY 104.A O no hydrogen 3.332 N/A ARG 107.A NE GLU 77.A OE2 no hydrogen 2.736 N/A ARG 107.A NH1 PHE 80.A O no hydrogen 3.010 N/A ARG 107.A NH1 MET 81.A O no hydrogen 3.380 N/A ARG 107.A NH2 PHE 80.A O no hydrogen 2.769 N/A ARG 107.A NH2 TYR 88.A OH no hydrogen 2.961 N/A GLN 108.A N VAL 86.A O no hydrogen 2.923 N/A SER 110.A N TYR 88.A O no hydrogen 2.856 N/A SER 110.A OG HIS 87.A NE2 no hydrogen 2.636 N/A LEU 112.A N VAL 90.A O no hydrogen 2.816 N/A VAL 114.A N THR 92.A O no hydrogen 2.958 N/A PHE 118.A N GLU 115.A O no hydrogen 3.117 N/A SER 120.A N ARG 117.A O no hydrogen 3.194 N/A SER 120.A OG ARG 117.A O no hydrogen 3.098 N/A GLU 121.A N PHE 118.A O no hydrogen 3.208 N/A VAL 122.A N PHE 118.A O no hydrogen 3.053 N/A ASP 123.A N THR 54.A O no hydrogen 2.901 N/A TYR 124.A N THR 54.A O no hydrogen 3.356 N/A LEU 125.A N GLY 190.A O no hydrogen 2.799 N/A VAL 126.A N GLY 56.A O no hydrogen 2.767 N/A CYS 127.A N PHE 188.A O no hydrogen 2.868 N/A CYS 127.A SG THR 58.A OG1 no hydrogen 3.733 N/A CYS 127.A SG PHE 188.A O no hydrogen 3.925 N/A VAL 128.A N THR 58.A O no hydrogen 3.231 N/A ASP 129.A N GLY 186.A O no hydrogen 3.271 N/A GLU 133.A N THR 260.A O no hydrogen 2.941 N/A PHE 134.A N THR 75.A OG1 no hydrogen 2.911 N/A ARG 135.A N ARG 258.A O no hydrogen 2.723 N/A ARG 135.A NH1 GLN 245.A OE1 no hydrogen 3.131 N/A ARG 135.A NH2 GLN 245.A OE1 no hydrogen 2.628 N/A ASP 136.A N ARG 258.A O no hydrogen 3.220 N/A HIS 137.A N ASP 136.A OD2 no hydrogen 2.691 N/A HIS 137.A NE2 GLU 141.A OE2 no hydrogen 2.818 N/A VAL 138.A N HIS 79.A O no hydrogen 3.026 N/A GLY 139.A N GLU 141.A OE1 no hydrogen 2.921 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.769 N/A ILE 142.A N GLY 139.A O no hydrogen 3.163 N/A LEU 143.A N VAL 140.A O no hydrogen 3.000 N/A THR 144.A OG1 THR 234.A OG1 no hydrogen 2.549 N/A LEU 146.A N THR 234.A OG1 no hydrogen 2.997 N/A PHE 147.A N GLY 189.A O no hydrogen 2.894 N/A THR 149.A OG1 PHE 187.A O no hydrogen 2.769 N/A LEU 150.A N LEU 237.A O no hydrogen 2.932 N/A HIS 151.A N TYR 182.A O no hydrogen 2.995 N/A GLY 153.A N HIS 151.A ND1 no hydrogen 2.845 N/A PHE 154.A N HIS 151.A O no hydrogen 3.117 N/A SER 157.A N PHE 154.A O no hydrogen 3.007 N/A SER 158.A OG GLU 160.A OE2 no hydrogen 2.857 N/A ARG 159.A NE GLY 179.A O no hydrogen 2.998 N/A ARG 159.A NH2 GLY 179.A O no hydrogen 2.807 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.549 N/A ALA 161.A N SER 158.A O no hydrogen 2.890 N/A PHE 162.A N ARG 159.A O no hydrogen 3.013 N/A TYR 164.A OH PHE 181.A O no hydrogen 2.685 N/A ARG 166.A NH1 ILE 174.A O no hydrogen 2.825 N/A ARG 166.A NH2 ARG 159.A O no hydrogen 2.892 N/A ARG 166.A NH2 PHE 162.A O no hydrogen 2.926 N/A ARG 167.A N GLU 165.A OE1 no hydrogen 2.884 N/A ARG 167.A NE GLU 165.A OE1 no hydrogen 2.747 N/A ARG 167.A NH2 GLU 165.A OE2 no hydrogen 2.997 N/A ARG 167.A NH2 GLU 215.A O no hydrogen 2.784 N/A SER 170.A N ARG 167.A O no hydrogen 2.982 N/A SER 170.A OG ASP 209.A OD2 no hydrogen 2.650 N/A GLN 171.A N ASP 209.A OD1 no hydrogen 2.803 N/A ALA 172.A N SER 170.A OG no hydrogen 3.115 N/A TYR 173.A N SER 170.A O no hydrogen 3.068 N/A ILE 174.A N GLU 165.A O no hydrogen 3.023 N/A GLU 178.A N PRO 175.A O no hydrogen 3.109 N/A TYR 182.A OH GLU 221.A OE2 no hydrogen 2.575 N/A TYR 183.A N ASN 225.A OD1 no hydrogen 2.793 N/A LEU 184.A N THR 149.A O no hydrogen 2.906 N/A GLY 185.A N GLU 221.A OE1 no hydrogen 2.889 N/A PHE 188.A N CYS 127.A O no hydrogen 3.210 N/A GLY 189.A N PHE 147.A O no hydrogen 3.245 N/A GLY 190.A N LEU 125.A O no hydrogen 2.988 N/A SER 191.A N PRO 145.A O no hydrogen 2.837 N/A GLU 194.A N SER 191.A OG no hydrogen 3.122 N/A VAL 195.A N SER 191.A O no hydrogen 2.941 N/A GLN 196.A N VAL 192.A O no hydrogen 2.913 N/A ARG 197.A N GLN 193.A O no hydrogen 3.042 N/A ARG 197.A NH2 GLU 194.A OE2 no hydrogen 2.693 N/A LEU 198.A N GLU 194.A O no hydrogen 2.998 N/A THR 199.A N VAL 195.A O no hydrogen 2.939 N/A THR 199.A OG1 VAL 195.A O no hydrogen 3.198 N/A THR 199.A OG1 GLN 196.A O no hydrogen 3.103 N/A ARG 200.A N GLN 196.A O no hydrogen 2.842 N/A ARG 200.A NH2 GLU 115.A OE2 no hydrogen 3.558 N/A ALA 201.A N ARG 197.A O no hydrogen 2.947 N/A CYS 202.A N LEU 198.A O no hydrogen 2.889 N/A HIS 203.A N THR 199.A O no hydrogen 2.909 N/A GLN 204.A N ARG 200.A O no hydrogen 3.128 N/A ALA 205.A N ALA 201.A O no hydrogen 2.976 N/A MET 206.A N CYS 202.A O no hydrogen 2.899 N/A MET 207.A N HIS 203.A O no hydrogen 3.058 N/A VAL 208.A N GLN 204.A O no hydrogen 3.065 N/A ASP 209.A N ALA 205.A O no hydrogen 3.059 N/A GLN 210.A N MET 206.A O no hydrogen 2.980 N/A ALA 211.A N MET 207.A O no hydrogen 2.948 N/A ASN 212.A N VAL 208.A O no hydrogen 2.964 N/A GLY 213.A N GLN 210.A O no hydrogen 2.885 N/A ILE 214.A N ASP 209.A O no hydrogen 2.834 N/A VAL 217.A N GLU 165.A OE2 no hydrogen 2.717 N/A TRP 218.A N SER 222.A OG no hydrogen 2.832 N/A HIS 219.A N ALA 216.A O no hydrogen 2.959 N/A HIS 219.A ND1 GLU 215.A OE2 no hydrogen 2.793 N/A GLU 221.A N TRP 218.A O no hydrogen 3.110 N/A SER 222.A N HIS 219.A O no hydrogen 2.896 N/A HIS 223.A N HIS 219.A O no hydrogen 3.389 N/A HIS 223.A ND1 HIS 219.A O no hydrogen 3.231 N/A LEU 224.A N ASP 220.A O no hydrogen 2.886 N/A ASN 225.A N GLU 221.A O no hydrogen 3.056 N/A ASN 225.A ND2 TYR 183.A O no hydrogen 2.902 N/A ASN 225.A ND2 GLU 221.A O no hydrogen 2.949 N/A LYS 226.A N SER 222.A O no hydrogen 3.168 N/A LYS 226.A NZ GLN 171.A O no hydrogen 2.798 N/A LYS 226.A NZ TYR 173.A O no hydrogen 2.983 N/A TYR 227.A N HIS 223.A O no hydrogen 2.891 N/A LEU 228.A N LEU 224.A O no hydrogen 2.928 N/A LEU 229.A N ASN 225.A O no hydrogen 2.992 N/A LEU 229.A N LYS 226.A O no hydrogen 3.224 N/A ARG 230.A N LYS 226.A O no hydrogen 3.191 N/A HIS 231.A N TYR 227.A O no hydrogen 2.742 N/A HIS 231.A ND1 TYR 227.A O no hydrogen 3.019 N/A LYS 232.A NZ ASP 180.A OD2 no hydrogen 2.739 N/A LYS 232.A NZ LEU 229.A O no hydrogen 2.805 N/A THR 234.A N LEU 146.A O no hydrogen 2.661 N/A THR 234.A OG1 THR 144.A OG1 no hydrogen 2.549 N/A THR 234.A OG1 LEU 146.A O no hydrogen 3.041 N/A LYS 235.A NZ GLU 141.A O no hydrogen 2.706 N/A LYS 235.A NZ LEU 143.A O no hydrogen 2.823 N/A VAL 236.A N PRO 32.A O no hydrogen 2.934 N/A LEU 237.A N GLY 148.A O no hydrogen 2.863 N/A SER 238.A N VAL 34.A O no hydrogen 3.158 N/A SER 238.A OG VAL 34.A O no hydrogen 2.707 N/A TYR 241.A N SER 238.A O no hydrogen 3.057 N/A TYR 241.A OH GLU 141.A OE1 no hydrogen 2.658 N/A LEU 242.A N PRO 239.A O no hydrogen 3.154 N/A TRP 243.A N PHE 259.A O no hydrogen 2.923 N/A TRP 243.A NE1 GLY 249.A O no hydrogen 2.634 N/A LEU 247.A N ASP 244.A OD1 no hydrogen 2.948 N/A LEU 248.A N ASP 244.A O no hydrogen 2.766 N/A GLY 249.A N GLN 245.A O no hydrogen 2.815 N/A TRP 250.A NE1 LEU 254.A O no hydrogen 2.711 N/A LEU 254.A N PRO 251.A O no hydrogen 2.988 N/A LYS 256.A NZ GLU 36.A OE1 no hydrogen 3.160 N/A ARG 258.A N GLU 240.A O no hydrogen 2.939 N/A ARG 258.A NE GLU 240.A OE2 no hydrogen 2.809 N/A ARG 258.A NH1 HIS 137.A O no hydrogen 2.908 N/A ARG 258.A NH2 GLU 36.A OE2 no hydrogen 2.801 N/A ARG 258.A NH2 GLU 240.A OE2 no hydrogen 2.779 N/A THR 260.A N GLU 133.A O no hydrogen 2.963 N/A ALA 261.A N TRP 243.A O no hydrogen 2.985 N/A