Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kyq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ASP 12.A OD1 no hydrogen 3.467 N/A ARG 4.A NH1 ASP 12.A OD2 no hydrogen 2.793 N/A ARG 4.A NH2 ASP 12.A OD1 no hydrogen 3.114 N/A SER 5.A OG GLU 8.A OE1 no hydrogen 2.692 N/A TYR 9.A OH HIS 11.A ND1 no hydrogen 2.636 N/A HIS 10.A NE2 SER 5.A O no hydrogen 2.550 N/A HIS 11.A ND1 TYR 9.A OH no hydrogen 2.636 N/A LEU 13.A N HIS 10.A O no hydrogen 3.044 N/A GLY 14.A N HIS 11.A O no hydrogen 3.049 N/A ASN 16.A N SER 28.A OG no hydrogen 2.997 N/A TYR 17.A OH HIS 38.A NE2 no hydrogen 2.569 N/A THR 18.A N VAL 26.A O no hydrogen 2.828 N/A ILE 20.A N LEU 24.A O no hydrogen 2.919 N/A ARG 21.A N LEU 24.A O no hydrogen 3.317 N/A ARG 21.A NE GLU 23.A OE2 no hydrogen 2.780 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.865 N/A LEU 24.A N ARG 21.A O no hydrogen 2.945 N/A ILE 25.A N VAL 113.A O no hydrogen 2.887 N/A VAL 26.A N THR 18.A O no hydrogen 2.907 N/A GLY 27.A N VAL 115.A O no hydrogen 3.042 N/A SER 28.A N ASN 16.A O no hydrogen 2.853 N/A SER 28.A OG ASN 16.A O no hydrogen 3.471 N/A GLN 29.A N SER 118.A O no hydrogen 3.041 N/A GLN 29.A NE2 TYR 9.A OH no hydrogen 3.057 N/A GLN 31.A N ASP 35.A OD2 no hydrogen 2.772 N/A GLN 31.A NE2 HIS 11.A O no hydrogen 2.965 N/A LYS 32.A N ASP 35.A OD2 no hydrogen 3.387 N/A LYS 32.A NZ ASP 35.A OD1 no hydrogen 3.055 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.863 N/A ASP 35.A N LYS 32.A O no hydrogen 2.960 N/A ILE 36.A N PRO 33.A O no hydrogen 2.890 N/A ASP 37.A N PRO 33.A O no hydrogen 3.408 N/A HIS 38.A N GLU 34.A O no hydrogen 3.035 N/A HIS 38.A NE2 TYR 17.A OH no hydrogen 2.569 N/A LEU 39.A N ASP 35.A O no hydrogen 3.002 N/A LYS 40.A N ILE 36.A O no hydrogen 2.897 N/A GLN 41.A N ASP 37.A O no hydrogen 2.880 N/A GLN 41.A NE2.B ASP 37.A O no hydrogen 3.604 N/A GLU 42.A N HIS 38.A O no hydrogen 2.840 N/A GLN 43.A N LEU 39.A O no hydrogen 3.004 N/A ASN 44.A N LYS 40.A O no hydrogen 3.211 N/A VAL 45.A N LEU 39.A O no hydrogen 3.209 N/A ALA 46.A N ARG 112.A O no hydrogen 2.930 N/A ILE 48.A N ARG 77.A O no hydrogen 2.908 N/A LEU 49.A N TYR 114.A O no hydrogen 2.806 N/A ASN 50.A N MET 79.A O no hydrogen 2.743 N/A ASN 50.A ND2 GLN 52.A OE1 no hydrogen 3.319 N/A LEU 51.A N HIS 116.A O no hydrogen 2.904 N/A GLN 52.A N ASN 50.A OD1 no hydrogen 2.828 N/A GLN 52.A NE2 GLN 29.A OE1 no hydrogen 2.910 N/A GLN 52.A NE2 SER 118.A OG no hydrogen 2.962 N/A GLN 53.A N ASP 56.A OD2 no hydrogen 2.889 N/A LYS 55.A NZ GLN 53.A OE1 no hydrogen 3.516 N/A ASP 56.A N GLN 53.A O no hydrogen 2.837 N/A ILE 57.A N GLN 53.A O no hydrogen 3.278 N/A GLU 58.A N ASP 54.A O no hydrogen 2.844 N/A TYR 59.A N LYS 55.A O no hydrogen 2.960 N/A TRP 60.A N ASP 56.A O no hydrogen 3.089 N/A GLY 61.A N GLU 58.A O no hydrogen 2.985 N/A ILE 62.A N ILE 57.A O no hydrogen 3.281 N/A SER 66.A N ASP 63.A OD1 no hydrogen 3.211 N/A SER 66.A OG ASP 63.A OD2 no hydrogen 2.488 N/A ILE 67.A N ASP 63.A O no hydrogen 3.226 N/A VAL 68.A N LEU 64.A O no hydrogen 2.818 N/A ARG 69.A N ASP 65.A O no hydrogen 2.842 N/A ARG 69.A NH1 SER 66.A OG no hydrogen 3.147 N/A ARG 70.A N SER 66.A O no hydrogen 3.107 N/A ARG 70.A NE ASP 37.A OD1 no hydrogen 2.830 N/A ARG 70.A NE ASP 37.A OD2 no hydrogen 3.343 N/A ARG 70.A NH1 GLU 73.A OE1 no hydrogen 2.959 N/A ARG 70.A NH2 ASP 37.A OD2 no hydrogen 2.590 N/A CYS 71.A N ILE 67.A O no hydrogen 3.031 N/A CYS 71.A SG ILE 67.A O no hydrogen 3.468 N/A LYS 72.A N VAL 68.A O no hydrogen 2.979 N/A GLU 73.A N ARG 69.A O no hydrogen 3.051 N/A LEU 74.A N ARG 70.A O no hydrogen 3.107 N/A LEU 74.A N CYS 71.A O no hydrogen 3.074 N/A GLY 75.A N LYS 72.A O no hydrogen 3.095 N/A ILE 76.A N CYS 71.A O no hydrogen 2.843 N/A ARG 77.A N ALA 46.A O no hydrogen 3.060 N/A ARG 77.A NE HIS 78.A O no hydrogen 3.027 N/A MET 79.A N ILE 48.A O no hydrogen 2.818 N/A ARG 80.A NH1 ASP 54.A OD1 no hydrogen 2.734 N/A ARG 80.A NH2 GLN 52.A O no hydrogen 3.016 N/A ARG 80.A NH2 ASP 54.A OD1 no hydrogen 2.766 N/A ARG 81.A N ASN 50.A O no hydrogen 2.981 N/A ARG 81.A NE SER 101.A OG no hydrogen 3.061 N/A ARG 81.A NH1 THR 206.A OXT no hydrogen 3.239 N/A ARG 81.A NH2 THR 206.A OXT no hydrogen 3.278 N/A ALA 83.A N LEU 51.A O no hydrogen 3.019 N/A LYS 84.A N SER 90.A OG no hydrogen 2.925 N/A SER 90.A N ASP 87.A OD1 no hydrogen 2.981 N/A LEU 91.A N ASP 87.A O no hydrogen 3.003 N/A ARG 92.A N PRO 88.A O no hydrogen 2.949 N/A ARG 92.A NE ASP 166.A OD2 no hydrogen 2.925 N/A ARG 92.A NH1 GLU 178.A OE2 no hydrogen 2.855 N/A ARG 92.A NH2 ASP 166.A OD1 no hydrogen 2.865 N/A SER 93.A N LEU 89.A O no hydrogen 3.045 N/A SER 93.A OG.A LEU 89.A O no hydrogen 3.129 N/A SER 93.A OG.B LEU 89.A O no hydrogen 3.182 N/A SER 93.A OG.B SER 90.A O no hydrogen 2.711 N/A GLN 94.A N SER 90.A O no hydrogen 3.019 N/A GLN 94.A N LEU 91.A O no hydrogen 3.172 N/A GLN 94.A NE2 SER 93.A OG.B no hydrogen 3.302 N/A LYS 97.A NZ GLN 94.A OE1 no hydrogen 3.031 N/A ALA 98.A N GLN 94.A O no hydrogen 2.991 N/A VAL 99.A N LEU 95.A O no hydrogen 2.788 N/A SER 100.A N PRO 96.A O no hydrogen 2.925 N/A SER 100.A OG.A VAL 200.A O no hydrogen 2.913 N/A SER 100.A OG.B LYS 97.A O no hydrogen 2.612 N/A SER 101.A N LYS 97.A O no hydrogen 3.119 N/A SER 101.A OG LYS 97.A O no hydrogen 3.542 N/A LEU 102.A N ALA 98.A O no hydrogen 3.072 N/A GLU 103.A N VAL 99.A O no hydrogen 2.733 N/A TRP 104.A N SER 100.A O no hydrogen 2.954 N/A ALA 105.A N SER 101.A O no hydrogen 3.040 N/A VAL 106.A N LEU 102.A O no hydrogen 2.941 N/A SER 107.A N GLU 103.A O no hydrogen 2.900 N/A SER 107.A OG GLU 103.A O no hydrogen 3.448 N/A SER 107.A OG TRP 104.A O no hydrogen 2.520 N/A GLU 108.A N TRP 104.A O no hydrogen 3.025 N/A GLY 109.A N VAL 106.A O no hydrogen 3.124 N/A ARG 112.A N ASN 44.A O no hydrogen 2.953 N/A ARG 112.A NE ASP 22.A O no hydrogen 2.767 N/A ARG 112.A NE ASP 22.A OD1 no hydrogen 3.387 N/A ARG 112.A NH1 GLN 43.A O no hydrogen 2.854 N/A ARG 112.A NH2 ASP 22.A OD1 no hydrogen 2.825 N/A VAL 113.A N GLU 23.A O no hydrogen 2.982 N/A TYR 114.A N TYR 47.A O no hydrogen 2.865 N/A TYR 114.A OH ASN 16.A O no hydrogen 3.415 N/A TYR 114.A OH SER 28.A O no hydrogen 2.698 N/A VAL 115.A N ILE 25.A O no hydrogen 2.840 N/A HIS 116.A N LEU 49.A O no hydrogen 3.007 N/A HIS 116.A ND1 CYS 117.A O no hydrogen 2.890 N/A ARG 123.A NH1 ASP 56.A OD2 no hydrogen 2.886 N/A ARG 123.A NH1 ALA 83.A O no hydrogen 2.788 N/A GLY 126.A N GLY 122.A O no hydrogen 2.967 N/A VAL 127.A N ARG 123.A O no hydrogen 2.988 N/A SER 128.A N ALA 124.A O no hydrogen 3.056 N/A SER 128.A OG ALA 124.A O no hydrogen 2.857 N/A ILE 129.A N PRO 125.A O no hydrogen 2.797 N/A ALA 130.A N GLY 126.A O no hydrogen 3.051 N/A TYR 131.A N VAL 127.A O no hydrogen 2.949 N/A TYR 131.A OH GLU 23.A OE2 no hydrogen 2.850 N/A MET 132.A N SER 128.A O no hydrogen 2.993 N/A TYR 133.A N ILE 129.A O no hydrogen 2.858 N/A TYR 133.A OH PHE 185.A O no hydrogen 2.743 N/A TRP 134.A N ALA 130.A O no hydrogen 2.862 N/A TRP 134.A NE1 THR 164.A OG1 no hydrogen 2.898 N/A PHE 135.A N TYR 131.A O no hydrogen 2.901 N/A CYS 136.A N MET 132.A O no hydrogen 2.986 N/A LEU 140.A N GLU 186.A O no hydrogen 2.974 N/A THR 142.A N ASN 139.A OD1 no hydrogen 2.935 N/A THR 142.A OG1 ASN 139.A OD1 no hydrogen 2.810 N/A ALA 143.A N ASN 139.A O no hydrogen 2.941 N/A TYR 144.A N LEU 140.A O no hydrogen 2.851 N/A TYR 144.A OH PRO 155.A O no hydrogen 2.798 N/A ASP 145.A N ASN 141.A O no hydrogen 2.871 N/A THR 146.A N THR 142.A O no hydrogen 2.911 N/A THR 146.A OG1 THR 142.A O no hydrogen 2.680 N/A LEU 147.A N ALA 143.A O no hydrogen 3.217 N/A VAL 148.A N TYR 144.A O no hydrogen 3.058 N/A SER 149.A N ASP 145.A O no hydrogen 2.942 N/A SER 149.A OG.A ASP 145.A O no hydrogen 3.155 N/A SER 149.A OG.A THR 146.A O no hydrogen 2.843 N/A SER 149.A OG.B ASP 145.A O no hydrogen 2.844 N/A LYS 150.A N LEU 147.A O no hydrogen 2.880 N/A LYS 150.A NZ LEU 19.A O no hydrogen 3.429 N/A LYS 150.A NZ ILE 20.A O no hydrogen 2.943 N/A ARG 151.A N LEU 147.A O no hydrogen 2.942 N/A ARG 151.A NE GLY 120.A O no hydrogen 2.873 N/A ARG 151.A NH1 ASN 16.A OD1 no hydrogen 3.075 N/A ARG 151.A NH1 THR 18.A OG1 no hydrogen 2.865 N/A ARG 151.A NH2 ASN 16.A OD1 no hydrogen 2.735 N/A ARG 151.A NH2 ALA 119.A O no hydrogen 3.235 N/A ARG 151.A NH2 GLY 120.A O no hydrogen 3.405 N/A CYS 153.A SG ARG 151.A O no hydrogen 3.231 N/A GLY 154.A N LEU 121.A O no hydrogen 3.123 N/A LYS 157.A NZ ASN 141.A OD1 no hydrogen 3.015 N/A ALA 159.A N ASN 156.A OD1 no hydrogen 2.864 N/A ARG 161.A N LYS 157.A O no hydrogen 2.956 N/A ARG 161.A NH1 ALA 184.A O no hydrogen 2.775 N/A GLY 162.A N GLY 158.A O no hydrogen 2.819 N/A ALA 163.A N ALA 159.A O no hydrogen 2.991 N/A THR 164.A N ILE 160.A O no hydrogen 3.018 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.781 N/A TYR 165.A N ARG 161.A O no hydrogen 2.997 N/A TYR 165.A OH GLU 175.A O no hydrogen 2.696 N/A ASP 166.A N GLY 162.A O no hydrogen 2.888 N/A LEU 167.A N ALA 163.A O no hydrogen 2.918 N/A ALA 168.A N THR 164.A O no hydrogen 2.958 N/A ALA 168.A N TYR 165.A O no hydrogen 3.254 N/A LYS 169.A NZ TYR 165.A OH no hydrogen 3.439 N/A TRP 173.A N ASP 171.A OD1 no hydrogen 2.884 N/A LYS 174.A N ASP 171.A O no hydrogen 3.137 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.751 N/A SER 179.A N PRO 176.A O no hydrogen 3.089 N/A SER 179.A OG.B PRO 176.A O no hydrogen 2.889 N/A LEU 180.A N PHE 177.A O no hydrogen 2.996 N/A ALA 184.A N PRO 181.A O no hydrogen 3.141 N/A GLU 186.A N ASN 183.A O no hydrogen 3.196 N/A ILE 188.A N ASP 187.A OD1 no hydrogen 2.930 N/A ALA 189.A N GLU 192.A OE1 no hydrogen 2.953 N/A ARG 193.A N ALA 189.A O no hydrogen 2.949 N/A ARG 193.A NH1 TYR 133.A O no hydrogen 2.662 N/A ARG 193.A NH2 TYR 133.A O no hydrogen 3.160 N/A ARG 193.A NH2 MET 138.A O no hydrogen 2.931 N/A LYS 194.A N ASP 190.A O no hydrogen 3.081 N/A LYS 194.A NZ GLU 198.A OE2 no hydrogen 3.474 N/A LEU 195.A N TRP 191.A O no hydrogen 3.031 N/A ILE 196.A N GLU 192.A O no hydrogen 2.916 N/A GLN 197.A N ARG 193.A O no hydrogen 3.022 N/A GLN 197.A NE2 TRP 134.A O no hydrogen 2.793 N/A GLU 198.A N LYS 194.A O no hydrogen 3.099 N/A ARG 199.A N LEU 195.A O no hydrogen 2.986 N/A ARG 199.A NH1 LEU 167.A O no hydrogen 2.531 N/A ARG 199.A NH1 LYS 169.A O no hydrogen 2.832 N/A ARG 199.A NH2 LYS 169.A O no hydrogen 3.328 N/A ARG 199.A NH2 ASN 170.A OD1 no hydrogen 2.814 N/A VAL 200.A N ILE 196.A O no hydrogen 2.839 N/A ARG 201.A N GLN 197.A O no hydrogen 3.002 N/A ARG 201.A NE GLU 103.A OE1 no hydrogen 3.490 N/A ARG 201.A NE GLU 103.A OE2 no hydrogen 3.338 N/A ARG 201.A NH2 GLU 103.A OE2 no hydrogen 2.961 N/A ALA 202.A N GLU 198.A O no hydrogen 2.940 N/A LEU 203.A N VAL 200.A O no hydrogen 3.049 N/A ARG 204.A N ARG 201.A O no hydrogen 3.106 N/A ARG 204.A NH2 GLU 103.A OE1 no hydrogen 2.619 N/A THR 206.A N LEU 203.A O no hydrogen 3.022 N/A THR 206.A OG1 LEU 203.A O no hydrogen 3.113 N/A