Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kaq_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N SER 24.A OG no hydrogen 3.057 N/A SER 3.A N ARG 22.A O no hydrogen 2.714 N/A GLN 4.A NE2 TYR 83.A O no hydrogen 2.724 N/A SER 5.A N THR 20.A O no hydrogen 3.261 N/A SER 5.A OG THR 20.A OG1 no hydrogen 2.740 N/A LEU 9.A N LYS 100.A O no hydrogen 2.610 N/A ALA 11.A N GLU 102.A O no hydrogen 3.059 N/A SER 12.A OG PRO 13.A O no hydrogen 3.469 N/A GLU 15.A N SER 12.A O no hydrogen 2.578 N/A VAL 17.A N ILE 72.A O no hydrogen 3.041 N/A THR 18.A OG1 LEU 70.A O no hydrogen 3.444 N/A THR 18.A OG1 THR 71.A OG1 no hydrogen 3.148 N/A MET 19.A N LEU 70.A O no hydrogen 2.821 N/A THR 20.A N SER 5.A O no hydrogen 3.040 N/A THR 20.A OG1 SER 5.A O no hydrogen 3.545 N/A THR 20.A OG1 SER 5.A OG no hydrogen 2.740 N/A CYS 21.A N TYR 68.A O no hydrogen 2.669 N/A ARG 22.A N SER 3.A O no hydrogen 2.692 N/A ALA 23.A N THR 66.A O no hydrogen 2.890 N/A SER 24.A N VAL 1.A O no hydrogen 2.985 N/A SER 24.A OG VAL 1.A O no hydrogen 3.515 N/A VAL 27.A N GLY 65.A O no hydrogen 2.779 N/A SER 28.A N THR 89.A OG1 no hydrogen 3.012 N/A ILE 30.A N THR 48.A OG1 no hydrogen 3.327 N/A HIS 31.A N GLN 86.A O no hydrogen 2.922 N/A TRP 32.A N ILE 45.A O no hydrogen 2.598 N/A PHE 33.A N TYR 84.A O no hydrogen 2.688 N/A GLN 34.A N LYS 42.A O no hydrogen 2.846 N/A GLN 34.A NE2 TYR 83.A OH no hydrogen 3.252 N/A GLN 35.A N THR 82.A O no hydrogen 2.859 N/A GLN 35.A NE2 SER 39.A O no hydrogen 2.959 N/A LYS 36.A NZ GLU 78.A O no hydrogen 2.817 N/A SER 39.A N LYS 36.A O no hydrogen 3.226 N/A SER 39.A OG LYS 36.A O no hydrogen 3.030 N/A LYS 42.A N GLN 34.A O no hydrogen 2.776 N/A TRP 44.A N TRP 32.A O no hydrogen 2.807 N/A ILE 45.A N TRP 32.A O no hydrogen 3.130 N/A TYR 46.A N ASN 50.A O no hydrogen 2.696 N/A ALA 47.A N HIS 31.A ND1 no hydrogen 2.995 N/A THR 48.A N ILE 30.A O no hydrogen 2.901 N/A SER 49.A N ALA 47.A O no hydrogen 2.767 N/A ASN 50.A N TYR 46.A O no hydrogen 3.014 N/A ASN 50.A ND2 TYR 46.A O no hydrogen 3.250 N/A ASN 50.A ND2 ALA 47.A O no hydrogen 3.251 N/A ALA 52.A N TRP 44.A O no hydrogen 2.956 N/A VAL 55.A N ALA 52.A O no hydrogen 3.129 N/A ARG 58.A NH1 ASP 79.A OD1 no hydrogen 3.350 N/A ARG 58.A NH1 ASP 79.A OD2 no hydrogen 2.292 N/A ARG 58.A NH2 ASP 79.A OD1 no hydrogen 3.251 N/A PHE 59.A N PRO 56.A O no hydrogen 2.982 N/A SER 60.A N THR 71.A O no hydrogen 2.962 N/A SER 60.A OG THR 71.A O no hydrogen 3.410 N/A SER 62.A N SER 69.A O no hydrogen 2.929 N/A SER 64.A N SER 67.A O no hydrogen 3.007 N/A SER 67.A N SER 64.A O no hydrogen 3.243 N/A TYR 68.A N CYS 21.A O no hydrogen 2.950 N/A TYR 68.A OH VAL 27.A O no hydrogen 2.843 N/A SER 69.A N SER 62.A O no hydrogen 2.811 N/A LEU 70.A N MET 19.A O no hydrogen 2.785 N/A THR 71.A N SER 60.A O no hydrogen 2.774 N/A THR 71.A OG1 THR 18.A OG1 no hydrogen 3.148 N/A ILE 72.A N VAL 17.A O no hydrogen 2.873 N/A SER 73.A N ARG 58.A O no hydrogen 2.958 N/A SER 73.A OG ARG 58.A O no hydrogen 3.161 N/A VAL 75.A N GLU 15.A O no hydrogen 2.880 N/A GLU 76.A N ASP 79.A OD2 no hydrogen 2.800 N/A ASP 79.A N GLU 76.A O no hydrogen 2.946 N/A ALA 80.A N ALA 77.A O no hydrogen 3.362 N/A THR 82.A N GLN 35.A O no hydrogen 2.916 N/A TYR 83.A N THR 99.A O no hydrogen 2.731 N/A TYR 83.A OH ASP 79.A O no hydrogen 2.832 N/A TYR 84.A N PHE 33.A O no hydrogen 2.948 N/A CYS 85.A N GLN 4.A OE1 no hydrogen 2.897 N/A GLN 86.A N HIS 31.A O no hydrogen 2.650 N/A GLN 86.A NE2 GLN 87.A O no hydrogen 3.203 N/A GLN 87.A N THR 94.A O no hydrogen 3.051 N/A GLN 87.A NE2 SER 90.A O no hydrogen 2.976 N/A THR 94.A N GLN 87.A O no hydrogen 3.309 N/A THR 94.A N GLN 87.A OE1 no hydrogen 3.119 N/A THR 94.A OG1 GLN 87.A OE1 no hydrogen 2.666 N/A GLY 96.A N CYS 85.A O no hydrogen 2.779 N/A THR 99.A N TYR 83.A O no hydrogen 2.874 N/A THR 99.A OG1 PRO 6.A O no hydrogen 2.908 N/A LYS 100.A N ALA 7.A O no hydrogen 2.930 N/A LEU 101.A N ALA 81.A O no hydrogen 2.762 N/A GLU 102.A N LEU 9.A O no hydrogen 2.739 N/A ILE 103.A N GLN 163.A OE1 no hydrogen 2.950 N/A LYS 104.A N ALA 11.A O no hydrogen 2.598 N/A ARG 105.A NE THR 106.A O no hydrogen 2.743 N/A ARG 105.A NH1 ASP 167.A O no hydrogen 2.913 N/A ARG 105.A NH2 THR 106.A O no hydrogen 3.496 N/A ARG 105.A NH2 THR 106.A OG1 no hydrogen 3.007 N/A ALA 108.A N TYR 137.A O no hydrogen 2.897 N/A SER 111.A N ASN 134.A O no hydrogen 3.189 N/A PHE 113.A N LEU 132.A O no hydrogen 2.921 N/A PHE 115.A N VAL 130.A O no hydrogen 2.827 N/A GLN 121.A N SER 118.A OG no hydrogen 3.292 N/A GLN 121.A NE2 SER 128.A OG no hydrogen 2.730 N/A LEU 122.A N SER 118.A O no hydrogen 3.148 N/A LYS 123.A N ASP 119.A O no hydrogen 3.185 N/A SER 124.A N GLN 121.A O no hydrogen 2.940 N/A SER 124.A OG GLN 121.A O no hydrogen 2.465 N/A GLY 125.A N LEU 122.A O no hydrogen 3.077 N/A ALA 127.A N LEU 178.A O no hydrogen 2.882 N/A SER 128.A N GLN 121.A OE1 no hydrogen 3.089 N/A SER 128.A OG THR 177.A OG1 no hydrogen 3.017 N/A VAL 129.A N LEU 176.A O no hydrogen 2.574 N/A VAL 130.A N PHE 115.A O no hydrogen 3.103 N/A CYS 131.A N SER 174.A O no hydrogen 2.742 N/A CYS 131.A SG PHE 113.A O no hydrogen 3.962 N/A LEU 132.A N PHE 113.A O no hydrogen 2.749 N/A LEU 133.A N LEU 172.A O no hydrogen 2.731 N/A ASN 134.A N SER 111.A O no hydrogen 2.875 N/A ASN 135.A N SER 171.A OG no hydrogen 3.058 N/A ASN 135.A ND2 ASP 167.A OD2 no hydrogen 3.081 N/A ASN 135.A ND2 THR 169.A OG1 no hydrogen 3.106 N/A PHE 136.A N TYR 170.A O no hydrogen 2.834 N/A TYR 137.A N ALA 108.A O no hydrogen 2.893 N/A ARG 139.A NH2.B GLU 102.A OE2 no hydrogen 2.957 N/A LYS 142.A N THR 194.A O no hydrogen 3.081 N/A GLN 144.A N GLU 192.A O no hydrogen 2.879 N/A TRP 145.A NE1 SER 174.A OG no hydrogen 2.813 N/A LYS 146.A N ALA 190.A O no hydrogen 2.771 N/A LYS 146.A NZ GLU 192.A OE2 no hydrogen 2.351 N/A VAL 147.A N ALA 150.A O no hydrogen 2.914 N/A ASP 148.A N VAL 188.A O no hydrogen 2.837 N/A ALA 150.A N VAL 147.A O no hydrogen 3.087 N/A GLN 152.A N TRP 145.A O no hydrogen 2.770 N/A GLN 152.A NE2 ALA 150.A O no hydrogen 2.973 N/A ASN 155.A ND2 GLN 152.A OE1 no hydrogen 2.885 N/A GLN 157.A N THR 175.A O no hydrogen 3.068 N/A SER 159.A N SER 173.A O no hydrogen 3.002 N/A THR 161.A N SER 171.A O no hydrogen 2.820 N/A THR 161.A OG1 GLU 162.A O no hydrogen 3.088 N/A THR 161.A OG1 SER 171.A O no hydrogen 3.327 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.605 N/A GLN 163.A NE2 ILE 103.A O no hydrogen 2.879 N/A GLN 163.A NE2 SER 168.A O no hydrogen 2.873 N/A ASP 164.A N THR 169.A O no hydrogen 2.801 N/A LYS 166.A N ASP 164.A OD1 no hydrogen 2.821 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 2.894 N/A SER 168.A N ASP 164.A O no hydrogen 3.060 N/A THR 169.A N ASP 167.A OD1 no hydrogen 3.138 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.547 N/A TYR 170.A N PHE 136.A O no hydrogen 2.906 N/A SER 171.A N THR 161.A OG1 no hydrogen 2.820 N/A SER 171.A OG ASN 134.A OD1 no hydrogen 3.238 N/A LEU 172.A N LEU 133.A O no hydrogen 2.790 N/A SER 173.A N SER 159.A O no hydrogen 3.032 N/A SER 174.A N CYS 131.A O no hydrogen 2.843 N/A THR 175.A N GLN 157.A O no hydrogen 2.845 N/A LEU 176.A N VAL 129.A O no hydrogen 2.607 N/A THR 177.A N ASN 155.A O no hydrogen 2.995 N/A THR 177.A OG1 SER 128.A OG no hydrogen 3.017 N/A LEU 178.A N ALA 127.A O no hydrogen 2.888 N/A LYS 180.A N GLY 125.A O no hydrogen 3.054 N/A LYS 180.A NZ LEU 122.A O no hydrogen 2.904 N/A ASP 182.A N SER 179.A OG no hydrogen 3.169 N/A TYR 183.A N SER 179.A O no hydrogen 2.809 N/A GLU 184.A N LYS 180.A O no hydrogen 3.256 N/A LYS 185.A N ASP 182.A O no hydrogen 2.972 N/A HIS 186.A NE2 ASP 182.A OD1.B no hydrogen 3.019 N/A LYS 187.A N ASP 148.A OD2 no hydrogen 3.108 N/A VAL 188.A N ASP 148.A OD1 no hydrogen 2.820 N/A TYR 189.A N PHE 206.A O no hydrogen 3.069 N/A TYR 189.A OH TYR 183.A O no hydrogen 2.369 N/A ALA 190.A N LYS 146.A O no hydrogen 2.943 N/A CYS 191.A N LYS 204.A O no hydrogen 3.132 N/A GLU 192.A N GLN 144.A O no hydrogen 2.598 N/A VAL 193.A N VAL 202.A O no hydrogen 2.771 N/A THR 194.A N LYS 142.A O no hydrogen 2.964 N/A THR 194.A OG1 LYS 142.A O no hydrogen 3.449 N/A HIS 195.A NE2 PRO 138.A O no hydrogen 2.913 N/A GLY 197.A N HIS 195.A ND1 no hydrogen 3.071 N/A LEU 198.A N HIS 195.A O no hydrogen 2.912 N/A VAL 202.A N VAL 193.A O no hydrogen 2.928 N/A LYS 204.A N CYS 191.A O no hydrogen 3.336 N/A PHE 206.A N TYR 189.A O no hydrogen 3.108 N/A ARG 208.A N LYS 187.A O no hydrogen 2.870 N/A ARG 208.A NE HIS 186.A O no hydrogen 2.571 N/A ARG 208.A NH2 HIS 186.A O no hydrogen 3.045 N/A GLU 210.A N ASN 207.A O no hydrogen 3.211 N/A