Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mpk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ARG 52.A O no hydrogen 2.563 N/A SER 5.A N GLU 8.A OE1 no hydrogen 2.968 N/A GLU 8.A N SER 5.A OG no hydrogen 3.215 N/A GLN 9.A N SER 5.A O no hydrogen 2.876 N/A GLN 10.A N ALA 6.A O no hydrogen 2.875 N/A GLN 10.A NE2 GLN 10.A O no hydrogen 3.238 N/A GLN 10.A NE2 ASP 14.A OD1 no hydrogen 3.073 N/A GLN 10.A NE2 ASP 14.A OD2 no hydrogen 3.242 N/A TRP 11.A N ARG 7.A O no hydrogen 2.864 N/A MET 12.A N GLU 8.A O no hydrogen 2.894 N/A ALA 13.A N GLN 9.A O no hydrogen 2.955 N/A ASP 14.A N GLN 10.A O no hydrogen 3.111 N/A ASP 14.A N TRP 11.A O no hydrogen 3.193 N/A HIS 15.A N TRP 11.A O no hydrogen 2.903 N/A VAL 18.A N ASP 56.A O no hydrogen 2.758 N/A LYS 19.A N ASP 78.A OD2 no hydrogen 2.835 N/A VAL 20.A N GLU 58.A O no hydrogen 2.802 N/A ALA 21.A N MET 79.A O no hydrogen 2.946 N/A VAL 22.A N ILE 60.A O no hydrogen 2.869 N/A ASN 24.A N VAL 62.A O no hydrogen 2.745 N/A ASN 24.A ND2 ASP 63.A OD1 no hydrogen 2.859 N/A PHE 26.A N THR 30.A O no hydrogen 2.774 N/A PHE 29.A N PHE 26.A O no hydrogen 2.871 N/A THR 30.A N PHE 26.A O no hydrogen 3.041 N/A THR 30.A OG1 LEU 23.A O no hydrogen 2.668 N/A LEU 31.A N GLY 39.A O no hydrogen 3.180 N/A PHE 32.A N ASN 24.A O no hydrogen 2.967 N/A ARG 33.A NH2 TYR 177.A OH no hydrogen 3.199 N/A GLU 36.A N ARG 33.A O no hydrogen 2.896 N/A GLY 39.A N LEU 31.A O no hydrogen 2.766 N/A ILE 41.A N PRO 28.A O no hydrogen 2.783 N/A SER 42.A N PHE 29.A O no hydrogen 2.832 N/A SER 42.A OG PHE 29.A O no hydrogen 3.045 N/A SER 42.A OG TYR 99.A OH no hydrogen 2.809 N/A ALA 44.A N GLY 40.A O no hydrogen 3.325 N/A VAL 45.A N ILE 41.A O no hydrogen 3.005 N/A LEU 46.A N SER 42.A O no hydrogen 2.877 N/A GLN 47.A N ALA 43.A O no hydrogen 3.131 N/A LEU 48.A N ALA 44.A O no hydrogen 3.134 N/A LEU 49.A N VAL 45.A O no hydrogen 2.847 N/A GLN 50.A N LEU 46.A O no hydrogen 2.794 N/A GLN 50.A NE2 LEU 55.A O no hydrogen 3.278 N/A LEU 51.A N GLN 47.A O no hydrogen 3.291 N/A ARG 52.A N LEU 48.A O no hydrogen 3.218 N/A ARG 52.A NE SER 221.A O no hydrogen 3.356 N/A ARG 52.A NE SER 221.A OG no hydrogen 3.165 N/A ARG 52.A NH1 LEU 48.A O no hydrogen 3.251 N/A ARG 52.A NH2 SER 221.A O no hydrogen 3.111 N/A ARG 52.A NH2 GLU 226.A OE2 no hydrogen 2.737 N/A THR 53.A N LEU 49.A O no hydrogen 2.877 N/A THR 53.A OG1 LEU 49.A O no hydrogen 2.809 N/A THR 53.A OG1 GLN 50.A O no hydrogen 3.496 N/A GLY 54.A N GLN 50.A O no hydrogen 2.704 N/A LEU 55.A N THR 53.A OG1 no hydrogen 3.040 N/A ASP 56.A N PRO 16.A O no hydrogen 2.893 N/A GLU 58.A N VAL 18.A O no hydrogen 2.796 N/A ILE 60.A N VAL 20.A O no hydrogen 2.669 N/A VAL 62.A N VAL 22.A O no hydrogen 2.822 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.848 N/A GLU 67.A N THR 64.A OG1 no hydrogen 3.157 N/A LEU 68.A N THR 64.A O no hydrogen 3.149 N/A ILE 69.A N VAL 65.A O no hydrogen 2.924 N/A ALA 70.A N GLU 66.A O no hydrogen 2.878 N/A LYS 71.A N GLU 67.A O no hydrogen 3.007 N/A LYS 71.A NZ GLU 67.A OE2 no hydrogen 3.402 N/A LYS 71.A NZ GLU 76.A OE1 no hydrogen 2.505 N/A LEU 72.A N LEU 68.A O no hydrogen 3.093 N/A ARG 73.A N ILE 69.A O no hydrogen 2.894 N/A SER 74.A N ALA 70.A O no hydrogen 2.918 N/A SER 74.A OG ALA 70.A O no hydrogen 3.396 N/A SER 74.A OG LYS 71.A O no hydrogen 3.420 N/A GLY 75.A N LEU 72.A O no hydrogen 3.114 N/A GLU 76.A N SER 74.A OG no hydrogen 3.133 N/A ALA 77.A N LYS 71.A O no hydrogen 2.882 N/A ASP 78.A N LYS 19.A O no hydrogen 2.786 N/A MET 79.A N LYS 19.A O no hydrogen 3.341 N/A ALA 80.A N ALA 203.A O no hydrogen 2.718 N/A GLY 81.A N ALA 21.A O no hydrogen 2.905 N/A LEU 83.A N ALA 201.A O no hydrogen 2.907 N/A VAL 85.A N GLU 199.A O no hydrogen 2.910 N/A ALA 88.A N ASN 86.A OD1 no hydrogen 3.022 N/A ARG 89.A N ASN 86.A O no hydrogen 2.975 N/A GLU 90.A N SER 87.A O no hydrogen 3.009 N/A PHE 92.A N ARG 89.A O no hydrogen 3.133 N/A LEU 93.A N ARG 89.A O no hydrogen 2.754 N/A SER 94.A N THR 204.A O no hydrogen 2.803 N/A SER 96.A N LEU 202.A O no hydrogen 2.897 N/A SER 96.A OG ARG 97.A O no hydrogen 2.682 N/A ARG 97.A N ASN 216.A OD1 no hydrogen 2.954 N/A TYR 99.A N ILE 200.A O no hydrogen 2.780 N/A TYR 99.A OH SER 42.A OG no hydrogen 2.809 N/A TYR 99.A OH GLY 81.A O no hydrogen 2.560 N/A VAL 100.A N ILE 200.A O no hydrogen 3.332 N/A ARG 101.A NH2 GLU 199.A OE2 no hydrogen 2.368 N/A ASN 102.A N ALA 198.A O no hydrogen 2.884 N/A VAL 105.A N GLN 170.A O no hydrogen 2.907 N/A ILE 106.A N SER 191.A O no hydrogen 2.974 N/A VAL 107.A N VAL 168.A O no hydrogen 2.979 N/A THR 108.A N ARG 188.A O no hydrogen 2.932 N/A THR 108.A OG1 ARG 109.A O no hydrogen 2.829 N/A ARG 109.A NE ASP 111.A OD2 no hydrogen 2.999 N/A ARG 109.A NH1 VAL 160.A O no hydrogen 2.806 N/A ARG 109.A NH1 ALA 165.A O no hydrogen 2.905 N/A GLN 110.A N LYS 186.A O no hydrogen 2.933 N/A GLN 110.A NE2 LEU 187.A O no hydrogen 2.976 N/A ALA 114.A N ASP 111.A O no hydrogen 3.162 N/A ALA 118.A N SER 191.A OG no hydrogen 2.909 N/A ASP 119.A N ASP 117.A OD1 no hydrogen 2.868 N/A HIS 120.A N ASP 117.A O no hydrogen 2.958 N/A HIS 120.A ND1 ASP 117.A OD1 no hydrogen 2.734 N/A GLY 123.A N GLN 144.A O no hydrogen 2.956 N/A ARG 124.A N LEU 121.A O no hydrogen 2.777 N/A ARG 124.A NE ASP 166.A OD2 no hydrogen 3.374 N/A ARG 124.A NH1 ASP 113.A O no hydrogen 3.349 N/A ARG 124.A NH2 ASP 113.A O no hydrogen 2.733 N/A THR 125.A N ASP 166.A OD2 no hydrogen 2.935 N/A THR 125.A OG1 ASP 166.A OD2 no hydrogen 2.975 N/A VAL 126.A N LYS 146.A O no hydrogen 2.693 N/A ALA 127.A N ALA 167.A O no hydrogen 2.735 N/A LEU 128.A N VAL 148.A O no hydrogen 2.997 N/A ARG 130.A N ALA 150.A O no hydrogen 2.747 N/A ARG 130.A NE THR 149.A OG1 no hydrogen 2.943 N/A ARG 130.A NH1 ASP 151.A OD1 no hydrogen 2.774 N/A SER 132.A N VAL 129.A O no hydrogen 2.925 N/A ALA 134.A N SER 132.A OG no hydrogen 3.011 N/A ILE 135.A N SER 132.A O no hydrogen 3.148 N/A LEU 138.A N ALA 134.A O no hydrogen 2.774 N/A GLN 139.A N ILE 135.A O no hydrogen 2.887 N/A ARG 140.A N PRO 136.A O no hydrogen 3.054 N/A ARG 141.A N LEU 137.A O no hydrogen 3.014 N/A ARG 141.A NE ASP 194.A OD2 no hydrogen 2.528 N/A ARG 141.A NH1 ARG 141.A O no hydrogen 2.994 N/A ARG 141.A NH2 ASP 194.A OD2 no hydrogen 2.914 N/A TYR 142.A N LEU 138.A O no hydrogen 2.917 N/A ALA 145.A N TYR 142.A O no hydrogen 2.939 N/A LYS 146.A N ARG 124.A O no hydrogen 2.779 N/A VAL 148.A N VAL 126.A O no hydrogen 2.886 N/A ALA 150.A N LEU 128.A O no hydrogen 3.015 N/A ASP 151.A N GLU 155.A OE1 no hydrogen 2.587 N/A GLU 155.A N ASN 152.A OD1 no hydrogen 3.003 N/A ALA 156.A N ASN 152.A O no hydrogen 3.142 N/A MET 157.A N PRO 153.A O no hydrogen 2.911 N/A LEU 158.A N SER 154.A O no hydrogen 2.966 N/A MET 159.A N GLU 155.A O no hydrogen 2.938 N/A VAL 160.A N MET 157.A O no hydrogen 3.110 N/A ALA 161.A N MET 157.A O no hydrogen 3.122 N/A ASN 162.A N LEU 158.A O no hydrogen 2.853 N/A GLY 163.A N MET 159.A O no hydrogen 2.979 N/A GLY 163.A N VAL 160.A O no hydrogen 3.173 N/A GLN 164.A N MET 159.A O no hydrogen 2.661 N/A ALA 165.A N MET 159.A O no hydrogen 3.143 N/A ASP 166.A N THR 125.A O no hydrogen 2.853 N/A ASP 166.A N THR 125.A OG1 no hydrogen 2.854 N/A ALA 167.A N THR 125.A O no hydrogen 3.153 N/A VAL 168.A N VAL 107.A O no hydrogen 2.910 N/A VAL 169.A N ALA 127.A O no hydrogen 3.038 N/A GLN 170.A N VAL 105.A O no hydrogen 3.208 N/A GLN 170.A NE2 VAL 169.A O no hydrogen 2.926 N/A GLN 172.A N GLY 103.A O no hydrogen 2.935 N/A GLN 172.A NE2 SER 176.A OG no hydrogen 2.775 N/A SER 174.A N THR 171.A OG1 no hydrogen 3.067 N/A SER 174.A OG ALA 27.A O no hydrogen 2.765 N/A SER 174.A OG THR 171.A OG1 no hydrogen 3.343 N/A ALA 175.A N THR 171.A O no hydrogen 2.850 N/A SER 176.A N GLN 172.A O no hydrogen 2.807 N/A SER 176.A OG GLN 172.A O no hydrogen 2.849 N/A TYR 177.A N ILE 173.A O no hydrogen 3.095 N/A TYR 178.A N SER 174.A O no hydrogen 2.827 N/A VAL 179.A N ALA 175.A O no hydrogen 2.840 N/A ASN 180.A N SER 176.A O no hydrogen 3.033 N/A ARG 181.A N TYR 177.A O no hydrogen 3.267 N/A ARG 181.A NE TYR 182.A OH no hydrogen 2.757 N/A ARG 181.A NH2 TYR 182.A OH no hydrogen 3.392 N/A TYR 182.A N TYR 178.A O no hydrogen 2.811 N/A PHE 183.A N VAL 179.A O no hydrogen 2.977 N/A LYS 186.A N PHE 183.A O no hydrogen 2.776 N/A LYS 186.A NZ ALA 161.A O no hydrogen 2.487 N/A LEU 187.A N PHE 183.A O no hydrogen 2.972 N/A ARG 188.A N THR 108.A O no hydrogen 2.861 N/A ARG 188.A NH2 PRO 115.A O no hydrogen 2.721 N/A ALA 190.A N ILE 106.A O no hydrogen 2.821 N/A SER 191.A OG ALA 192.A O no hydrogen 2.975 N/A LEU 193.A N MET 104.A O no hydrogen 2.776 N/A ASP 194.A N TYR 142.A OH no hydrogen 2.759 N/A ALA 198.A N ASN 102.A O no hydrogen 2.922 N/A ILE 200.A N VAL 100.A O no hydrogen 2.798 N/A ALA 201.A N LEU 83.A O no hydrogen 3.070 N/A LEU 202.A N SER 96.A OG no hydrogen 3.064 N/A ALA 203.A N ALA 80.A O no hydrogen 3.248 N/A THR 204.A N SER 94.A O no hydrogen 3.058 N/A THR 204.A OG1 THR 205.A O no hydrogen 2.779 N/A ARG 206.A N PHE 92.A O no hydrogen 3.386 N/A ARG 206.A NH1 GLU 90.A O no hydrogen 2.809 N/A GLN 208.A N THR 205.A O no hydrogen 3.353 N/A THR 209.A N GLY 207.A O no hydrogen 2.893 N/A THR 209.A OG1 GLY 207.A O no hydrogen 3.476 N/A MET 212.A N GLN 208.A O no hydrogen 3.091 N/A SER 213.A N THR 209.A O no hydrogen 3.080 N/A SER 213.A OG GLU 8.A OE2 no hydrogen 2.551 N/A ILE 214.A N GLU 210.A O no hydrogen 2.847 N/A LEU 215.A N LEU 211.A O no hydrogen 2.827 N/A ASN 216.A N MET 212.A O no hydrogen 2.930 N/A LYS 217.A N SER 213.A O no hydrogen 3.030 N/A LYS 217.A NZ ALA 3.A O no hydrogen 2.867 N/A LYS 217.A NZ GLU 8.A OE1 no hydrogen 2.650 N/A LYS 217.A NZ GLU 8.A OE2 no hydrogen 3.332 N/A ALA 218.A N ILE 214.A O no hydrogen 2.921 N/A LEU 219.A N LEU 215.A O no hydrogen 2.659 N/A TYR 220.A N ASN 216.A O no hydrogen 2.841 N/A SER 221.A N LYS 217.A O no hydrogen 3.165 N/A SER 221.A N ALA 218.A O no hydrogen 3.140 N/A SER 221.A OG ALA 218.A O no hydrogen 2.779 N/A ILE 222.A N LEU 219.A O no hydrogen 2.867 N/A SER 223.A N GLU 226.A OE1 no hydrogen 2.946 N/A SER 223.A OG GLU 226.A OE1 no hydrogen 2.839 N/A GLU 226.A N SER 223.A OG no hydrogen 3.203 N/A LEU 227.A N SER 223.A O no hydrogen 3.186 N/A ALA 228.A N ASN 224.A O no hydrogen 2.763 N/A SER 229.A N ASP 225.A O no hydrogen 2.967 N/A SER 229.A OG ASP 225.A O no hydrogen 2.867 N/A ILE 230.A N GLU 226.A O no hydrogen 3.175 N/A ILE 231.A N LEU 227.A O no hydrogen 2.860 N/A SER 232.A N ALA 228.A O no hydrogen 2.864 N/A SER 232.A OG ALA 228.A O no hydrogen 3.253 N/A SER 232.A OG SER 229.A O no hydrogen 3.323 N/A ARG 233.A N ILE 230.A O no hydrogen 3.183 N/A TRP 234.A N ILE 231.A O no hydrogen 3.064 N/A ARG 235.A NH1 GLN 172.A OE1 no hydrogen 2.537 N/A