Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mkn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 227.A OD1 no hydrogen 2.717 N/A SER 2.A N ASP 202.A O no hydrogen 2.388 N/A SER 2.A OG ALA 3.A O no hydrogen 2.810 N/A LYS 4.A NZ ASP 37.A OD1 no hydrogen 2.616 N/A PHE 5.A N LYS 251.A O no hydrogen 3.190 N/A PHE 6.A N ASP 227.A O no hydrogen 3.032 N/A VAL 7.A N ASP 37.A O no hydrogen 2.832 N/A GLY 8.A N PHE 229.A O no hydrogen 2.851 N/A GLY 9.A N VAL 39.A O no hydrogen 2.755 N/A ASN 10.A N VAL 231.A O no hydrogen 2.822 N/A TRP 11.A N ALA 41.A O no hydrogen 3.144 N/A LYS 12.A N ASN 10.A OD1 no hydrogen 2.979 N/A LYS 12.A NZ GLU 97.A OE2 no hydrogen 2.718 N/A ASN 14.A ND2 TRP 11.A O no hydrogen 2.897 N/A ASN 19.A N SER 16.A OG no hydrogen 2.929 N/A VAL 20.A N SER 16.A O no hydrogen 2.829 N/A ALA 21.A N VAL 17.A O no hydrogen 3.006 N/A LYS 22.A N ALA 18.A O no hydrogen 3.046 N/A LYS 22.A NZ GLU 26.A OE1 no hydrogen 3.089 N/A LEU 23.A N ASN 19.A O no hydrogen 2.917 N/A VAL 24.A N VAL 20.A O no hydrogen 2.892 N/A ASP 25.A N ALA 21.A O no hydrogen 3.037 N/A GLU 26.A N LYS 22.A O no hydrogen 2.948 N/A LEU 27.A N LEU 23.A O no hydrogen 2.853 N/A ASN 28.A N VAL 24.A O no hydrogen 2.879 N/A ASN 28.A ND2 HIS 53.A O no hydrogen 2.946 N/A ALA 29.A N ASP 25.A O no hydrogen 3.091 N/A ALA 29.A N GLU 26.A O no hydrogen 3.114 N/A GLY 30.A N LEU 27.A O no hydrogen 3.056 N/A ASP 37.A N PHE 5.A O no hydrogen 2.912 N/A VAL 39.A N VAL 7.A O no hydrogen 2.876 N/A VAL 40.A N GLN 60.A O no hydrogen 2.852 N/A ALA 41.A N GLY 9.A O no hydrogen 2.808 N/A TYR 46.A N PRO 43.A O no hydrogen 2.995 N/A ILE 47.A N PHE 44.A O no hydrogen 3.217 N/A VAL 50.A N TYR 46.A O no hydrogen 2.919 N/A MET 51.A N ILE 47.A O no hydrogen 2.797 N/A GLN 52.A N ASP 48.A O no hydrogen 3.018 N/A GLN 52.A NE2 ASP 48.A OD1 no hydrogen 2.471 N/A HIS 53.A N TYR 49.A O no hydrogen 2.982 N/A HIS 53.A N VAL 50.A O no hydrogen 3.167 N/A LEU 54.A N VAL 50.A O no hydrogen 2.823 N/A ASP 55.A N ASN 28.A OD1 no hydrogen 2.829 N/A ASP 57.A N ASP 55.A OD1 no hydrogen 2.644 N/A LYS 58.A N ASP 55.A O no hydrogen 3.267 N/A LYS 58.A NZ ASN 28.A O no hydrogen 2.807 N/A LYS 58.A NZ GLY 30.A O no hydrogen 2.673 N/A TYR 59.A N ASP 55.A O no hydrogen 3.032 N/A TYR 59.A OH LEU 27.A O no hydrogen 2.737 N/A GLN 60.A N VAL 38.A O no hydrogen 2.948 N/A SER 62.A N VAL 40.A O no hydrogen 2.876 N/A SER 62.A OG ALA 63.A O no hydrogen 2.895 N/A ALA 63.A N TRP 90.A O no hydrogen 2.987 N/A GLN 64.A NE2 LYS 12.A O no hydrogen 2.910 N/A GLN 64.A NE2 ALA 41.A O no hydrogen 2.893 N/A TRP 67.A N VAL 78.A O no hydrogen 2.865 N/A PHE 74.A N GLY 72.A O no hydrogen 2.895 N/A GLU 77.A N PHE 74.A O no hydrogen 3.047 N/A SER 79.A N GLN 82.A OE1 no hydrogen 3.003 N/A SER 79.A OG ASN 71.A OD1 no hydrogen 2.701 N/A GLU 81.A N GLU 81.A OE2 no hydrogen 2.745 N/A GLN 82.A N SER 79.A OG no hydrogen 2.982 N/A LEU 83.A N SER 79.A O no hydrogen 3.013 N/A THR 84.A N ALA 80.A O no hydrogen 2.871 N/A THR 84.A OG1 ALA 80.A O no hydrogen 3.310 N/A THR 84.A OG1 ALA 119.A O no hydrogen 2.908 N/A ASP 85.A N GLU 81.A O no hydrogen 2.990 N/A PHE 86.A N GLN 82.A O no hydrogen 2.926 N/A PHE 86.A N LEU 83.A O no hydrogen 3.132 N/A GLY 87.A N THR 84.A O no hydrogen 3.019 N/A VAL 88.A N LEU 83.A O no hydrogen 3.022 N/A TRP 90.A NE1 GLN 60.A OE1 no hydrogen 3.006 N/A VAL 91.A N GLY 122.A O no hydrogen 2.937 N/A ILE 92.A N ALA 63.A O no hydrogen 2.905 N/A LEU 93.A N ILE 124.A O no hydrogen 2.911 N/A SER 96.A N GLU 165.A OE1 no hydrogen 2.751 N/A SER 96.A OG GLU 165.A OE1 no hydrogen 3.542 N/A SER 96.A OG GLU 165.A OE2 no hydrogen 2.684 N/A GLU 97.A N HIS 95.A ND1 no hydrogen 2.961 N/A ARG 98.A N HIS 95.A O no hydrogen 2.829 N/A ARG 98.A NE GLU 104.A OE2 no hydrogen 2.996 N/A ARG 99.A N HIS 95.A O no hydrogen 2.976 N/A ARG 99.A NE GLY 94.A O no hydrogen 2.941 N/A ARG 99.A NE CYS 126.A O no hydrogen 3.300 N/A ARG 99.A NH1 ASN 106.A OD1 no hydrogen 2.830 N/A ARG 99.A NH2 CYS 126.A O no hydrogen 2.856 N/A SER 100.A N SER 96.A O no hydrogen 2.993 N/A SER 100.A OG.A SER 96.A O no hydrogen 2.888 N/A SER 100.A OG.A GLU 97.A O no hydrogen 3.234 N/A LEU 101.A N GLU 97.A O no hydrogen 2.872 N/A PHE 102.A N ARG 98.A O no hydrogen 3.054 N/A GLU 104.A N ARG 98.A O no hydrogen 3.258 N/A VAL 108.A N SER 105.A OG no hydrogen 3.030 N/A VAL 109.A N SER 105.A O no hydrogen 2.944 N/A ALA 110.A N ASN 106.A O no hydrogen 3.034 N/A LYS 111.A N GLU 107.A O no hydrogen 2.858 N/A LYS 111.A NZ GLU 153.A OE2 no hydrogen 2.981 N/A LYS 112.A N VAL 108.A O no hydrogen 2.895 N/A LYS 112.A NZ ASN 65.A OD1 no hydrogen 2.887 N/A LYS 112.A NZ ALA 66.A O no hydrogen 2.977 N/A LYS 112.A NZ GLU 104.A OE2 no hydrogen 2.862 N/A THR 113.A N VAL 109.A O no hydrogen 2.974 N/A THR 113.A OG1 VAL 109.A O no hydrogen 2.936 N/A SER 114.A N ALA 110.A O no hydrogen 2.927 N/A SER 114.A OG ALA 110.A O no hydrogen 3.457 N/A SER 114.A OG LYS 111.A O no hydrogen 3.287 N/A SER 114.A OG GLU 153.A OE1 no hydrogen 2.754 N/A HIS 115.A N LYS 111.A O no hydrogen 2.954 N/A HIS 115.A NE2 GLU 81.A OE2 no hydrogen 2.785 N/A ALA 116.A N LYS 112.A O no hydrogen 2.914 N/A LEU 117.A N THR 113.A O no hydrogen 2.946 N/A ALA 118.A N SER 114.A O no hydrogen 2.984 N/A ALA 119.A N HIS 115.A O no hydrogen 2.987 N/A ALA 119.A N ALA 116.A O no hydrogen 3.110 N/A GLY 120.A N LEU 117.A O no hydrogen 3.026 N/A LEU 121.A N ALA 116.A O no hydrogen 3.018 N/A GLY 122.A N PRO 89.A O no hydrogen 2.838 N/A VAL 123.A N LYS 159.A O no hydrogen 2.903 N/A ILE 124.A N VAL 91.A O no hydrogen 2.850 N/A ALA 125.A N VAL 161.A O no hydrogen 2.829 N/A CYS 126.A N LEU 93.A O no hydrogen 2.921 N/A CYS 126.A SG LEU 93.A O no hydrogen 3.766 N/A CYS 126.A SG ILE 124.A O no hydrogen 3.981 N/A ILE 127.A N ALA 163.A O no hydrogen 2.942 N/A GLY 128.A N GLN 146.A OE1 no hydrogen 2.863 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.757 N/A THR 130.A N GLN 133.A OE1 no hydrogen 2.912 N/A GLN 133.A N THR 130.A OG1 no hydrogen 3.152 N/A ARG 134.A N THR 130.A O no hydrogen 2.914 N/A ARG 134.A NE GLU 129.A OE2 no hydrogen 2.756 N/A ARG 134.A NH2 GLU 129.A OE2 no hydrogen 2.851 N/A ASN 135.A N LEU 131.A O no hydrogen 2.759 N/A SER 136.A N GLU 132.A O no hydrogen 3.021 N/A SER 136.A OG.A GLU 132.A O no hydrogen 3.363 N/A SER 136.A OG.A GLN 133.A O no hydrogen 3.133 N/A SER 136.A OG.A SER 138.A OG no hydrogen 2.792 N/A SER 136.A OG.B GLU 132.A O no hydrogen 2.791 N/A GLY 137.A N ARG 134.A O no hydrogen 3.119 N/A SER 138.A N GLN 133.A O no hydrogen 2.917 N/A SER 138.A OG SER 136.A OG.A no hydrogen 2.792 N/A VAL 142.A N SER 138.A O no hydrogen 2.945 N/A LEU 143.A N VAL 139.A O no hydrogen 2.954 N/A ASP 144.A N PHE 140.A O no hydrogen 2.785 N/A ALA 145.A N LYS 141.A O no hydrogen 3.076 N/A GLN 146.A N VAL 142.A O no hydrogen 3.044 N/A GLN 146.A NE2 GLY 128.A O no hydrogen 3.059 N/A MET 147.A N LEU 143.A O no hydrogen 2.879 N/A ASP 148.A N ASP 144.A O no hydrogen 2.733 N/A ALA 149.A N ALA 145.A O no hydrogen 3.165 N/A LEU 150.A N GLN 146.A O no hydrogen 3.353 N/A VAL 151.A N MET 147.A O no hydrogen 2.813 N/A ASP 152.A N ASP 148.A O no hydrogen 3.005 N/A GLU 153.A N LEU 150.A O no hydrogen 3.024 N/A VAL 154.A N LEU 150.A O no hydrogen 2.888 N/A LYS 155.A NZ GLU 153.A O no hydrogen 3.170 N/A THR 158.A N ASP 156.A OD1 no hydrogen 2.972 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.657 N/A LYS 159.A NZ GLY 120.A O no hydrogen 3.057 N/A VAL 160.A N TRP 157.A O no hydrogen 3.110 N/A VAL 161.A N VAL 123.A O no hydrogen 2.806 N/A LEU 162.A N ARG 205.A O no hydrogen 2.941 N/A ALA 163.A N ALA 125.A O no hydrogen 2.841 N/A TYR 164.A N ILE 207.A O no hydrogen 2.898 N/A TYR 164.A OH GLU 129.A OE1 no hydrogen 2.611 N/A TYR 164.A OH GLU 129.A OE2 no hydrogen 3.190 N/A GLU 165.A N ILE 127.A O no hydrogen 2.837 N/A TRP 168.A N GLU 129.A O no hydrogen 3.143 N/A TRP 168.A NE1 TYR 164.A OH no hydrogen 2.957 N/A ALA 169.A N PRO 166.A O no hydrogen 2.785 N/A ILE 170.A N VAL 167.A O no hydrogen 3.142 N/A THR 172.A OG1 TRP 168.A O no hydrogen 2.703 N/A VAL 174.A N THR 172.A OG1 no hydrogen 3.142 N/A SER 177.A N GLN 180.A OE1 no hydrogen 2.827 N/A SER 177.A OG GLN 180.A OE1 no hydrogen 3.308 N/A GLN 180.A N SER 177.A OG no hydrogen 2.951 N/A ALA 181.A N SER 177.A O no hydrogen 2.923 N/A GLN 182.A N PRO 178.A O no hydrogen 2.907 N/A GLN 182.A NE2 ASP 225.A OD2 no hydrogen 2.881 N/A GLU 183.A N GLU 179.A O no hydrogen 2.962 N/A VAL 184.A N GLN 180.A O no hydrogen 3.354 N/A HIS 185.A N ALA 181.A O no hydrogen 2.946 N/A HIS 185.A ND1 ASP 225.A O no hydrogen 2.976 N/A ALA 186.A N GLN 182.A O no hydrogen 2.830 N/A TYR 187.A N GLU 183.A O no hydrogen 3.097 N/A TYR 187.A OH ASP 144.A OD1 no hydrogen 2.575 N/A TYR 187.A OH ASP 144.A OD2 no hydrogen 3.307 N/A LEU 188.A N VAL 184.A O no hydrogen 2.852 N/A ARG 189.A N HIS 185.A O no hydrogen 2.894 N/A ARG 189.A NE ASP 225.A OD1 no hydrogen 2.848 N/A ARG 189.A NH1 ALA 201.A O no hydrogen 2.847 N/A ARG 189.A NH1 LEU 204.A O no hydrogen 2.835 N/A ARG 189.A NH2 ASP 225.A O no hydrogen 3.194 N/A ARG 189.A NH2 ASP 227.A OD2 no hydrogen 2.735 N/A GLN 190.A N ALA 186.A O no hydrogen 3.074 N/A GLN 190.A NE2 TYR 187.A O no hydrogen 2.995 N/A TYR 191.A N TYR 187.A O no hydrogen 2.941 N/A TYR 191.A OH ASP 148.A OD1 no hydrogen 2.514 N/A CYS 192.A N LEU 188.A O no hydrogen 2.904 N/A CYS 192.A SG LEU 188.A O no hydrogen 3.378 N/A ALA 193.A N ARG 189.A O no hydrogen 2.917 N/A LYS 194.A N GLN 190.A O no hydrogen 3.075 N/A LYS 194.A NZ GLN 190.A OE1 no hydrogen 2.774 N/A LYS 195.A N TYR 191.A O no hydrogen 2.918 N/A LEU 196.A N CYS 192.A O no hydrogen 2.767 N/A GLY 197.A N ALA 193.A O no hydrogen 2.934 N/A ALA 201.A N GLY 197.A O no hydrogen 2.961 N/A ASP 202.A N ALA 198.A O no hydrogen 2.898 N/A LYS 203.A N ALA 199.A O no hydrogen 3.352 N/A LYS 203.A N VAL 200.A O no hydrogen 3.148 N/A LEU 204.A N VAL 200.A O no hydrogen 2.978 N/A ARG 205.A NH1 LYS 4.A O no hydrogen 2.968 N/A ARG 205.A NH1 ASP 37.A OD2 no hydrogen 2.894 N/A ILE 206.A N ASP 227.A OD2 no hydrogen 2.899 N/A ILE 207.A N LEU 162.A O no hydrogen 2.775 N/A TYR 208.A N GLY 228.A O no hydrogen 2.897 N/A GLY 209.A N TYR 164.A O no hydrogen 2.745 N/A SER 213.A N ASN 216.A OD1 no hydrogen 2.865 N/A SER 213.A OG ASN 216.A OD1 no hydrogen 3.447 N/A ASP 214.A N ASP 214.A OD2 no hydrogen 2.592 N/A THR 215.A N SER 213.A OG no hydrogen 3.002 N/A ASN 216.A N SER 213.A OG no hydrogen 3.342 N/A ASN 216.A ND2 SER 211.A O no hydrogen 2.943 N/A CYS 217.A SG ASP 214.A O no hydrogen 3.842 N/A LEU 220.A N ASN 216.A O no hydrogen 3.145 N/A SER 221.A N CYS 217.A O no hydrogen 2.864 N/A SER 221.A OG CYS 217.A O no hydrogen 3.295 N/A SER 221.A OG LYS 218.A O no hydrogen 3.299 N/A SER 221.A OG ALA 247.A O no hydrogen 2.812 N/A LYS 222.A N LYS 218.A O no hydrogen 3.317 N/A GLN 223.A N LEU 220.A O no hydrogen 3.033 N/A GLN 223.A NE2 ASP 219.A O no hydrogen 3.148 N/A ASP 225.A N GLN 182.A OE1 no hydrogen 2.815 N/A ILE 226.A N GLN 223.A O no hydrogen 3.264 N/A ASP 227.A N ILE 206.A O no hydrogen 2.938 N/A PHE 229.A N PHE 6.A O no hydrogen 2.927 N/A LEU 230.A N TYR 208.A O no hydrogen 2.898 N/A VAL 231.A N GLY 8.A O no hydrogen 2.801 N/A SER 235.A N GLY 232.A O no hydrogen 2.863 N/A SER 235.A OG ASN 10.A O no hydrogen 3.160 N/A SER 235.A OG GLY 232.A O no hydrogen 2.705 N/A LEU 236.A N GLY 233.A O no hydrogen 3.057 N/A LYS 237.A N ALA 234.A O no hydrogen 3.208 N/A GLY 238.A N GLU 26.A OE2 no hydrogen 2.972 N/A PHE 241.A N LYS 237.A O no hydrogen 2.912 N/A VAL 242.A N GLY 238.A O no hydrogen 2.892 N/A THR 243.A N ALA 239.A O no hydrogen 2.958 N/A THR 243.A OG1 ALA 239.A O no hydrogen 3.061 N/A ILE 244.A N ALA 240.A O no hydrogen 3.114 N/A CYS 245.A N PHE 241.A O no hydrogen 3.029 N/A CYS 245.A SG PHE 241.A O no hydrogen 3.436 N/A ASN 246.A N VAL 242.A O no hydrogen 3.035 N/A ASN 246.A N THR 243.A O no hydrogen 2.996 N/A ASN 246.A ND2 THR 31.A O no hydrogen 2.906 N/A ASN 246.A ND2 VAL 242.A O no hydrogen 2.872 N/A ALA 247.A N ILE 244.A O no hydrogen 3.031 N/A LYS 251.A N ALA 248.A O no hydrogen 3.052 N/A LYS 251.A NZ SER 221.A O no hydrogen 2.605 N/A LYS 251.A NZ GLN 223.A O no hydrogen 2.631 N/A LYS 251.A NZ ILE 226.A O no hydrogen 2.573 N/A ALA 252.A N GLY 249.A O no hydrogen 3.328 N/A