Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zi1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 4.A OE1 no hydrogen 2.687 N/A GLN 4.A NE2 LEU 1.A O no hydrogen 3.068 N/A SER 5.A N TYR 2.A O no hydrogen 2.887 N/A ARG 9.A N ALA 7.A O no hydrogen 2.864 N/A ARG 9.A NH1 ALA 8.A O no hydrogen 3.234 N/A ARG 9.A NH1 GLU 206.A OE1 no hydrogen 3.499 N/A ARG 9.A NH1 GLU 206.A OE2 no hydrogen 2.986 N/A ARG 9.A NH2 PHE 3.A O no hydrogen 2.853 N/A ARG 9.A NH2 GLU 206.A OE1 no hydrogen 2.708 N/A ARG 10.A N SER 201.A O no hydrogen 3.305 N/A ARG 10.A NH2 ASP 254.A OD1 no hydrogen 2.721 N/A ALA 11.A N GLN 177.A OE1 no hydrogen 2.908 N/A LEU 12.A N ALA 199.A O no hydrogen 2.793 N/A PHE 14.A N VAL 64.A O no hydrogen 3.086 N/A VAL 15.A N ARG 197.A O no hydrogen 2.841 N/A PHE 16.A N GLU 66.A O no hydrogen 2.859 N/A LYS 17.A N TYR 119.A OH no hydrogen 3.137 N/A LYS 17.A NZ ALA 193.A O no hydrogen 3.179 N/A LYS 17.A NZ PHE 195.A O no hydrogen 2.792 N/A VAL 18.A N THR 68.A O no hydrogen 2.811 N/A GLN 23.A N ASN 20.A OD1 no hydrogen 3.042 N/A THR 24.A N ASN 20.A O no hydrogen 3.035 N/A THR 24.A OG1 ASN 20.A O no hydrogen 2.754 N/A ALA 25.A N ARG 21.A O no hydrogen 2.932 N/A ARG 26.A N PHE 22.A O no hydrogen 3.138 N/A ARG 26.A NH2 LEU 99.A O no hydrogen 3.354 N/A PHE 27.A N GLN 23.A O no hydrogen 2.930 N/A TYR 28.A N THR 24.A O no hydrogen 2.911 N/A ARG 29.A N ALA 25.A O no hydrogen 2.959 N/A ARG 29.A NE ASP 30.A OD1 no hydrogen 2.868 N/A ARG 29.A NH1 ASP 273.A OD1 no hydrogen 2.695 N/A ARG 29.A NH2 ASP 30.A OD2 no hydrogen 3.084 N/A ARG 29.A NH2 ASP 273.A OD1 no hydrogen 3.490 N/A ARG 29.A NH2 ASP 273.A OD2 no hydrogen 2.794 N/A ASP 30.A N ARG 26.A O no hydrogen 2.860 N/A VAL 31.A N ARG 26.A O no hydrogen 3.141 N/A VAL 31.A N PHE 27.A O no hydrogen 3.159 N/A LEU 32.A N PHE 27.A O no hydrogen 2.895 N/A GLY 33.A N ARG 29.A O no hydrogen 3.235 N/A MET 34.A N TYR 28.A O no hydrogen 2.796 N/A LYS 35.A N GLY 55.A O no hydrogen 2.879 N/A LEU 37.A N MET 53.A O no hydrogen 2.753 N/A ARG 38.A NE GLU 59.A OE1 no hydrogen 3.461 N/A ARG 38.A NE GLU 59.A OE2 no hydrogen 2.696 N/A ARG 38.A NH1 GLU 40.A OE2 no hydrogen 2.920 N/A ARG 38.A NH2 GLU 59.A OE1 no hydrogen 2.866 N/A HIS 39.A ND1 THR 52.A OG1 no hydrogen 2.668 N/A HIS 39.A NE2 GLU 41.A OE2 no hydrogen 2.781 N/A GLU 40.A N LYS 51.A O no hydrogen 2.886 N/A PHE 42.A N TRP 49.A O no hydrogen 2.774 N/A TRP 49.A N PHE 42.A O no hydrogen 2.978 N/A SER 50.A N TYR 69.A O no hydrogen 2.801 N/A LYS 51.A N GLU 40.A O no hydrogen 2.938 N/A THR 52.A N LEU 67.A O no hydrogen 2.821 N/A THR 52.A OG1 HIS 39.A ND1 no hydrogen 2.668 N/A MET 53.A N ARG 38.A O no hydrogen 2.891 N/A VAL 54.A N ALA 65.A O no hydrogen 2.856 N/A GLY 55.A N LYS 35.A O no hydrogen 3.037 N/A ASP 61.A N PRO 58.A O no hydrogen 3.079 N/A HIS 62.A ND1 PRO 58.A O no hydrogen 3.070 N/A PHE 63.A N ASP 132.A OD2 no hydrogen 2.813 N/A VAL 64.A N LEU 12.A O no hydrogen 3.067 N/A ALA 65.A N VAL 54.A O no hydrogen 2.778 N/A GLU 66.A N PHE 14.A O no hydrogen 2.915 N/A LEU 67.A N THR 52.A O no hydrogen 2.732 N/A THR 68.A N PHE 16.A O no hydrogen 2.884 N/A TYR 69.A N SER 50.A O no hydrogen 2.945 N/A ASN 70.A ND2 TYR 76.A OH no hydrogen 2.879 N/A TYR 71.A N LYS 48.A O no hydrogen 3.155 N/A TYR 71.A OH GLU 41.A OE1 no hydrogen 2.714 N/A TYR 71.A OH GLU 41.A OE2 no hydrogen 3.270 N/A VAL 73.A N ASN 70.A O no hydrogen 2.908 N/A ASN 80.A N ASP 190.A O no hydrogen 2.900 N/A ASN 80.A ND2 GLY 188.A O no hydrogen 2.952 N/A PHE 82.A N ASP 81.A OD1 no hydrogen 2.908 N/A MET 83.A N THR 138.A O no hydrogen 2.832 N/A ILE 85.A N LYS 120.A O no hydrogen 3.005 N/A THR 86.A N LYS 136.A O no hydrogen 2.870 N/A LEU 87.A N TYR 122.A O no hydrogen 2.969 N/A ALA 88.A N PRO 133.A O no hydrogen 2.813 N/A SER 89.A N GLN 124.A O no hydrogen 2.982 N/A SER 90.A N ARG 126.A O no hydrogen 3.139 N/A GLN 91.A NE2 GLN 91.A O no hydrogen 3.477 N/A GLN 91.A NE2 ASN 95.A OD1 no hydrogen 3.121 N/A ALA 92.A N SER 89.A OG no hydrogen 2.946 N/A VAL 93.A N SER 89.A O no hydrogen 3.306 N/A SER 94.A N SER 90.A O no hydrogen 2.929 N/A SER 94.A OG SER 90.A O no hydrogen 3.256 N/A ASN 95.A N GLN 91.A O no hydrogen 2.725 N/A ASN 95.A ND2 VAL 31.A O no hydrogen 2.973 N/A ALA 96.A N ALA 92.A O no hydrogen 2.947 N/A ARG 97.A N VAL 93.A O no hydrogen 3.142 N/A LYS 98.A N SER 94.A O no hydrogen 3.019 N/A LEU 99.A N ASN 95.A O no hydrogen 2.833 N/A GLU 100.A N ARG 97.A O no hydrogen 3.351 N/A TRP 101.A N ALA 96.A O no hydrogen 2.809 N/A TRP 101.A NE1 GLU 114.A O no hydrogen 3.037 N/A THR 104.A N GLU 112.A O no hydrogen 2.977 N/A VAL 106.A N VAL 110.A O no hydrogen 2.856 N/A GLY 109.A N GLU 105.A OE2 no hydrogen 2.840 N/A VAL 110.A N ALA 107.A O no hydrogen 2.891 N/A PHE 111.A N LEU 123.A O no hydrogen 2.813 N/A GLU 112.A N THR 104.A O no hydrogen 2.687 N/A THR 113.A N PHE 121.A O no hydrogen 2.882 N/A THR 113.A OG1 PHE 121.A O no hydrogen 3.504 N/A ALA 115.A N TYR 119.A O no hydrogen 2.817 N/A GLY 118.A N ALA 115.A O no hydrogen 2.885 N/A TYR 119.A OH LYS 17.A O no hydrogen 2.831 N/A LYS 120.A NZ.A GLU 112.A OE2 no hydrogen 3.023 N/A LYS 120.A NZ.A GLU 114.A OE2 no hydrogen 2.964 N/A PHE 121.A N THR 113.A O no hydrogen 2.838 N/A TYR 122.A N ILE 85.A O no hydrogen 2.773 N/A TYR 122.A OH GLU 112.A OE1 no hydrogen 3.027 N/A LEU 123.A N PHE 111.A O no hydrogen 2.733 N/A GLN 124.A N LEU 87.A O no hydrogen 2.807 N/A ASN 125.A N GLY 109.A O no hydrogen 2.832 N/A ARG 126.A N GLN 124.A O no hydrogen 2.787 N/A ARG 126.A NE GLN 124.A OE1 no hydrogen 2.818 N/A ARG 126.A NH2 GLN 124.A OE1 no hydrogen 2.796 N/A SER 131.A N LEU 128.A O no hydrogen 3.503 N/A VAL 134.A N ASP 132.A OD1 no hydrogen 3.170 N/A LEU 135.A N THR 86.A O no hydrogen 2.779 N/A LYS 136.A N THR 86.A O no hydrogen 3.359 N/A LYS 136.A NZ GLU 181.A OE1 no hydrogen 3.372 N/A LYS 136.A NZ GLU 181.A OE2 no hydrogen 2.863 N/A VAL 137.A N LYS 179.A O no hydrogen 2.999 N/A THR 138.A N GLY 84.A O no hydrogen 2.854 N/A THR 138.A OG1 GLU 181.A OE1 no hydrogen 2.622 N/A LEU 139.A N GLU 181.A O no hydrogen 2.900 N/A ALA 140.A N ASP 81.A O no hydrogen 3.022 N/A VAL 141.A N GLN 183.A O no hydrogen 2.910 N/A SER 142.A N ASP 245.A OD1 no hydrogen 3.229 N/A SER 142.A N ASP 245.A OD2 no hydrogen 3.206 N/A SER 142.A OG.A ASP 245.A OD1 no hydrogen 2.682 N/A SER 142.A OG.B ASP 245.A OD1 no hydrogen 3.083 N/A LYS 146.A N ASP 143.A OD1 no hydrogen 3.194 N/A SER 147.A N ASP 143.A O no hydrogen 3.004 N/A SER 147.A OG ASP 143.A O no hydrogen 3.119 N/A LEU 148.A N LEU 144.A O no hydrogen 2.749 N/A ASN 149.A N GLN 145.A O no hydrogen 2.934 N/A TYR 150.A N LYS 146.A O no hydrogen 3.141 N/A TRP 151.A N SER 147.A O no hydrogen 2.854 N/A TRP 151.A NE1 ASP 243.A OD2 no hydrogen 2.911 N/A CYS 152.A N LEU 148.A O no hydrogen 2.838 N/A CYS 152.A SG MET 157.A O no hydrogen 3.483 N/A ASN 153.A N ASN 149.A O no hydrogen 2.943 N/A ASN 153.A ND2 ASN 149.A OD1 no hydrogen 3.059 N/A LEU 154.A N TYR 150.A O no hydrogen 3.184 N/A LEU 155.A N TYR 150.A O no hydrogen 3.001 N/A MET 157.A N TRP 151.A O no hydrogen 2.935 N/A LYS 158.A N GLY 172.A O no hydrogen 2.807 N/A TYR 160.A N LEU 170.A O no hydrogen 2.620 N/A TYR 160.A OH ASP 175.A OD1 no hydrogen 2.652 N/A GLU 161.A N LEU 170.A O no hydrogen 3.264 N/A ASP 163.A N ARG 168.A O no hydrogen 2.771 N/A LYS 166.A N ASP 163.A OD1 no hydrogen 3.046 N/A GLN 167.A N GLU 164.A O no hydrogen 3.225 N/A GLN 167.A NE2 GLU 164.A O no hydrogen 2.649 N/A ARG 168.A N ASP 163.A O no hydrogen 3.176 N/A ARG 168.A NH1 GLU 161.A OE1 no hydrogen 2.772 N/A ARG 168.A NH1 GLU 181.A OE2 no hydrogen 2.860 N/A ARG 168.A NH2 GLU 161.A OE1 no hydrogen 2.751 N/A ALA 169.A N LEU 182.A O no hydrogen 2.950 N/A LEU 170.A N GLU 161.A O no hydrogen 2.847 N/A LEU 171.A N LEU 180.A O no hydrogen 2.741 N/A GLY 172.A N LYS 158.A O no hydrogen 2.959 N/A TYR 173.A OH LEU 155.A O no hydrogen 2.682 N/A GLN 177.A N ALA 174.A O no hydrogen 3.159 N/A GLN 177.A NE2 ARG 9.A O no hydrogen 2.821 N/A CYS 178.A SG LYS 179.A O no hydrogen 3.592 N/A LYS 179.A N LEU 135.A O no hydrogen 2.978 N/A LYS 179.A NZ ALA 174.A O no hydrogen 3.552 N/A LYS 179.A NZ ASP 175.A O no hydrogen 2.864 N/A LYS 179.A NZ GLN 177.A O no hydrogen 2.883 N/A LEU 180.A N LEU 171.A O no hydrogen 2.808 N/A GLU 181.A N VAL 137.A O no hydrogen 2.780 N/A LEU 182.A N ALA 169.A O no hydrogen 2.819 N/A GLN 183.A N LEU 139.A O no hydrogen 2.943 N/A GLN 183.A NE2 LYS 166.A O no hydrogen 3.050 N/A GLN 183.A NE2 GLY 184.A O no hydrogen 2.941 N/A GLY 184.A N GLN 167.A O no hydrogen 2.749 N/A VAL 185.A N VAL 141.A O no hydrogen 2.939 N/A ASP 190.A N ASN 80.A OD1 no hydrogen 2.596 N/A HIS 191.A ND1 ASP 81.A OD2 no hydrogen 2.746 N/A HIS 191.A NE2 ASP 245.A O no hydrogen 2.715 N/A ALA 192.A N ASP 190.A OD1 no hydrogen 2.937 N/A ALA 193.A N LYS 77.A O no hydrogen 2.976 N/A ALA 194.A N LYS 77.A O no hydrogen 2.884 N/A ARG 197.A NE GLU 248.A OE1 no hydrogen 2.817 N/A ARG 197.A NH2 GLU 248.A OE1 no hydrogen 2.820 N/A ILE 198.A N GLU 248.A O no hydrogen 3.117 N/A ALA 199.A N HIS 13.A O no hydrogen 2.942 N/A PHE 200.A N CYS 250.A O no hydrogen 2.909 N/A SER 201.A N ARG 10.A O no hydrogen 2.893 N/A SER 201.A OG ASP 254.A OD1 no hydrogen 2.717 N/A CYS 202.A N VAL 252.A O no hydrogen 3.067 N/A CYS 202.A SG PRO 203.A O no hydrogen 3.692 N/A GLN 204.A N GLU 255.A OE1 no hydrogen 3.021 N/A GLU 206.A N PRO 203.A O no hydrogen 2.950 N/A LEU 207.A N GLN 204.A O no hydrogen 3.080 N/A LEU 210.A N GLU 206.A O no hydrogen 2.983 N/A GLU 211.A N LEU 207.A O no hydrogen 3.227 N/A ASP 212.A N PRO 208.A O no hydrogen 3.054 N/A LEU 213.A N ASP 209.A O no hydrogen 2.956 N/A MET 214.A N LEU 210.A O no hydrogen 2.955 N/A LYS 215.A N GLU 211.A O no hydrogen 2.973 N/A ARG 216.A N ASP 212.A O no hydrogen 2.919 N/A GLU 217.A N LEU 213.A O no hydrogen 2.871 N/A ASN 218.A N LYS 215.A O no hydrogen 3.009 N/A GLN 219.A N MET 214.A O no hydrogen 2.866 N/A GLN 219.A NE2 GLU 217.A O no hydrogen 3.488 N/A LEU 222.A N ILE 240.A O no hydrogen 2.796 N/A THR 223.A N ILE 240.A O no hydrogen 3.143 N/A LEU 225.A N GLU 211.A OE2 no hydrogen 2.923 N/A VAL 226.A N VAL 238.A O no hydrogen 3.063 N/A LEU 228.A N VAL 236.A O no hydrogen 2.851 N/A LYS 233.A N THR 230.A O no hydrogen 2.926 N/A LYS 233.A NZ GLU 40.A OE2 no hydrogen 2.804 N/A THR 235.A OG1 ASP 229.A OD1 no hydrogen 2.783 N/A VAL 236.A N LEU 228.A O no hydrogen 3.157 N/A VAL 238.A N VAL 226.A O no hydrogen 2.940 N/A VAL 239.A N PHE 251.A O no hydrogen 2.926 N/A ILE 240.A N THR 223.A O no hydrogen 3.018 N/A LEU 241.A N ILE 249.A O no hydrogen 2.803 N/A ALA 242.A N LYS 220.A O no hydrogen 3.116 N/A ASP 243.A N HIS 247.A O no hydrogen 2.900 N/A ASP 245.A N ASP 243.A OD1 no hydrogen 2.798 N/A GLY 246.A N ASP 243.A O no hydrogen 2.812 N/A HIS 247.A N ASP 243.A OD1 no hydrogen 2.953 N/A HIS 247.A NE2 ALA 140.A O no hydrogen 2.688 N/A ILE 249.A N LEU 241.A O no hydrogen 2.889 N/A CYS 250.A N ILE 198.A O no hydrogen 2.930 N/A PHE 251.A N VAL 239.A O no hydrogen 2.921 N/A VAL 252.A N PHE 200.A O no hydrogen 2.942 N/A GLY 253.A N GLN 237.A O no hydrogen 2.996 N/A ASP 254.A N CYS 202.A O no hydrogen 2.743 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.739 N/A PHE 257.A N GLY 253.A O no hydrogen 3.009 N/A ARG 258.A N ASP 254.A O no hydrogen 2.965 N/A ARG 258.A NE ASP 254.A OD2 no hydrogen 2.746 N/A LEU 260.A N ALA 256.A O no hydrogen 3.069 N/A SER 261.A N PHE 257.A O no hydrogen 2.837 N/A SER 261.A OG PHE 257.A O no hydrogen 2.783 N/A LYS 262.A NZ GLU 259.A OE1 no hydrogen 3.211 N/A ASP 264.A N LEU 37.A O no hydrogen 2.712 N/A GLU 266.A N ASP 264.A OD1 no hydrogen 2.877 N/A GLY 267.A N ASP 264.A O no hydrogen 3.188 N/A ASN 269.A N GLU 266.A O no hydrogen 3.171 N/A CYS 270.A N GLY 267.A O no hydrogen 2.746 N/A TRP 271.A N SER 268.A O no hydrogen 3.468 N/A SER 274.A N TRP 271.A O no hydrogen 3.129 N/A SER 274.A OG SER 268.A O no hydrogen 2.696 N/A