Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N LEU 24.A O no hydrogen 2.788 N/A PHE 5.A N VAL 22.A O no hydrogen 2.799 N/A CYS 7.A N MET 20.A O no hydrogen 2.898 N/A CYS 7.A SG PHE 5.A O no hydrogen 3.776 N/A CYS 7.A SG MET 20.A O no hydrogen 3.755 N/A PHE 9.A N THR 18.A O no hydrogen 2.974 N/A SER 11.A N LEU 16.A O no hydrogen 2.882 N/A SER 11.A OG GLU 88.A OE1 no hydrogen 2.533 N/A ASP 12.A N GLU 88.A OE2 no hydrogen 2.796 N/A VAL 13.A N GLU 88.A OE1 no hydrogen 3.309 N/A VAL 13.A N GLU 88.A OE2 no hydrogen 3.418 N/A LEU 14.A N SER 11.A OG no hydrogen 2.970 N/A LEU 16.A N SER 11.A O no hydrogen 3.030 N/A THR 18.A N PHE 9.A O no hydrogen 2.869 N/A SER 19.A N THR 18.A OG1 no hydrogen 2.793 N/A SER 19.A OG ASP 8.A OD1 no hydrogen 2.569 N/A MET 20.A N CYS 7.A O no hydrogen 2.941 N/A THR 21.A N MET 64.A O no hydrogen 2.894 N/A THR 21.A OG1 GLN 6.A OE1 no hydrogen 2.891 N/A THR 21.A OG1 HIS 42.A O no hydrogen 2.963 N/A VAL 22.A N PHE 5.A O no hydrogen 2.903 N/A ILE 23.A N VAL 62.A O no hydrogen 2.917 N/A LEU 24.A N ALA 3.A O no hydrogen 2.941 N/A GLN 26.A N HIS 1.A O no hydrogen 3.009 N/A HIS 29.A N PRO 98.A O no hydrogen 2.914 N/A THR 31.A N ASP 105.A O no hydrogen 2.917 N/A THR 31.A OG1 HIS 29.A O no hydrogen 3.045 N/A LEU 32.A N ALA 61.A O no hydrogen 2.831 N/A PHE 33.A N PHE 107.A O no hydrogen 2.884 N/A LEU 34.A N VAL 63.A O no hydrogen 2.877 N/A LEU 35.A N ALA 109.A O no hydrogen 2.789 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 2.817 N/A GLY 37.A N ASP 40.A OD2 no hydrogen 2.873 N/A SER 39.A OG LEU 38.A O no hydrogen 2.572 N/A ASP 40.A N GLY 37.A O no hydrogen 3.147 N/A THR 43.A N ASP 41.A OD1 no hydrogen 2.957 N/A THR 43.A OG1 ASP 41.A OD1 no hydrogen 2.700 N/A ILE 44.A N ASP 41.A O no hydrogen 3.533 N/A TRP 45.A NE1 LEU 35.A O no hydrogen 2.987 N/A ARG 47.A N THR 43.A O no hydrogen 3.124 N/A ARG 47.A NH1 THR 43.A OG1 no hydrogen 3.004 N/A ARG 48.A N ILE 44.A O no hydrogen 2.910 N/A THR 49.A N TRP 45.A O no hydrogen 3.252 N/A THR 49.A OG1 TRP 45.A O no hydrogen 2.665 N/A SER 50.A N ASP 225.A OD1 no hydrogen 3.031 N/A ILE 51.A N THR 49.A OG1 no hydrogen 3.029 N/A TYR 54.A N SER 50.A O no hydrogen 2.970 N/A TYR 54.A OH ASP 225.A OD1 no hydrogen 2.935 N/A TYR 54.A OH ASP 225.A OD2 no hydrogen 2.833 N/A VAL 55.A N ILE 51.A O no hydrogen 3.128 N/A ALA 56.A N ARG 53.A O no hydrogen 3.126 N/A MET 58.A N VAL 55.A O no hydrogen 2.911 N/A ALA 61.A N PRO 30.A O no hydrogen 2.901 N/A VAL 62.A N ILE 23.A O no hydrogen 2.947 N/A VAL 63.A N LEU 32.A O no hydrogen 2.860 N/A MET 64.A N THR 21.A O no hydrogen 2.813 N/A VAL 67.A N HIS 36.A NE2 no hydrogen 2.927 N/A HIS 68.A ND1 TYR 81.A OH no hydrogen 2.575 N/A ARG 69.A NE GLU 147.A OE2 no hydrogen 2.747 N/A ARG 69.A NH2 GLU 147.A OE1 no hydrogen 2.736 N/A SER 70.A OG VAL 67.A O no hydrogen 2.687 N/A TYR 72.A N SER 70.A OG no hydrogen 3.162 N/A TYR 72.A OH HIS 36.A O no hydrogen 2.837 N/A THR 73.A N SER 70.A O no hydrogen 3.220 N/A THR 73.A OG1 SER 70.A O no hydrogen 3.467 N/A THR 73.A OG1 PHE 71.A O no hydrogen 2.836 N/A MET 75.A N LEU 79.A O no hydrogen 3.132 N/A ALA 76.A N ILE 151.A O no hydrogen 3.122 N/A HIS 77.A N ASN 150.A O no hydrogen 2.819 N/A TYR 81.A N LEU 79.A O no hydrogen 3.015 N/A TYR 81.A OH HIS 68.A ND1 no hydrogen 2.575 N/A THR 83.A N ASP 74.A OD1 no hydrogen 2.799 N/A THR 83.A OG1 ASP 74.A OD1 no hydrogen 3.561 N/A THR 83.A OG1 ASP 74.A OD2 no hydrogen 2.672 N/A PHE 84.A N GLN 80.A O no hydrogen 3.010 N/A ILE 85.A N TYR 81.A O no hydrogen 2.883 N/A SER 86.A N TRP 82.A O no hydrogen 2.853 N/A SER 86.A OG TRP 82.A O no hydrogen 2.682 N/A GLU 87.A N THR 83.A O no hydrogen 2.988 N/A GLU 88.A N THR 83.A O no hydrogen 3.289 N/A LEU 89.A N PHE 84.A O no hydrogen 2.794 N/A ALA 91.A N GLU 87.A O no hydrogen 3.394 N/A LEU 92.A N GLU 88.A O no hydrogen 2.800 N/A ALA 93.A N LEU 89.A O no hydrogen 2.914 N/A ARG 94.A N PRO 90.A O no hydrogen 2.958 N/A ARG 94.A NE ALA 100.A O no hydrogen 2.980 N/A SER 95.A N ALA 91.A O no hydrogen 2.933 N/A SER 95.A OG LEU 92.A O no hydrogen 2.814 N/A PHE 96.A N LEU 92.A O no hydrogen 3.019 N/A PHE 96.A N ALA 93.A O no hydrogen 3.273 N/A PHE 97.A N ALA 93.A O no hydrogen 2.956 N/A LEU 99.A N PHE 97.A O no hydrogen 2.799 N/A ALA 100.A N HIS 29.A O no hydrogen 2.800 N/A ARG 103.A NE PRO 126.A O no hydrogen 2.712 N/A ARG 103.A NH2 PRO 126.A O no hydrogen 3.088 N/A ASP 105.A N ALA 102.A O no hydrogen 2.976 N/A THR 106.A N ARG 103.A O no hydrogen 3.056 N/A THR 106.A OG1 ALA 102.A O no hydrogen 2.834 N/A PHE 107.A N THR 31.A O no hydrogen 2.974 N/A VAL 108.A N ALA 131.A O no hydrogen 3.047 N/A ALA 109.A N PHE 33.A O no hydrogen 2.986 N/A GLY 110.A N ALA 133.A O no hydrogen 3.096 N/A SER 112.A N LEU 135.A O no hydrogen 3.001 N/A SER 112.A OG HIS 219.A NE2 no hydrogen 2.393 N/A GLY 114.A N LEU 111.A O no hydrogen 2.699 N/A TYR 116.A N SER 112.A O no hydrogen 2.965 N/A TYR 116.A OH HIS 163.A O no hydrogen 2.606 N/A GLY 117.A N MET 113.A O no hydrogen 2.961 N/A ALA 118.A N GLY 114.A O no hydrogen 2.814 N/A LEU 119.A N GLY 115.A O no hydrogen 3.048 N/A LYS 120.A N TYR 116.A O no hydrogen 2.867 N/A LYS 120.A NZ TYR 72.A O no hydrogen 2.996 N/A LEU 121.A N GLY 117.A O no hydrogen 2.949 N/A GLY 122.A N ALA 118.A O no hydrogen 2.912 N/A MET 123.A N LEU 119.A O no hydrogen 2.905 N/A ARG 124.A N LYS 120.A O no hydrogen 2.819 N/A ARG 124.A NH1 ASP 162.A O no hydrogen 2.969 N/A HIS 125.A N LEU 121.A O no hydrogen 2.838 N/A HIS 125.A ND1 GLU 127.A OE2 no hydrogen 3.120 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.826 N/A ARG 128.A N HIS 125.A O no hydrogen 2.905 N/A ARG 128.A NH1 GLU 87.A OE2 no hydrogen 3.064 N/A ARG 128.A NH2 GLU 87.A OE2 no hydrogen 3.012 N/A ALA 130.A N THR 106.A O no hydrogen 2.848 N/A ALA 132.A N LYS 181.A O no hydrogen 2.931 N/A ALA 133.A N VAL 108.A O no hydrogen 2.895 N/A SER 134.A N TYR 183.A O no hydrogen 2.859 N/A LEU 135.A N GLY 110.A O no hydrogen 2.872 N/A SER 136.A N CYS 185.A O no hydrogen 2.776 N/A ALA 138.A N SER 112.A O no hydrogen 3.010 N/A THR 142.A N ASP 140.A OD1 no hydrogen 3.104 N/A THR 142.A OG1 ASP 140.A OD1 no hydrogen 2.641 N/A GLU 147.A N VAL 143.A O no hydrogen 2.961 N/A GLN 148.A N TRP 144.A O no hydrogen 2.974 N/A ARG 149.A N VAL 145.A O no hydrogen 2.971 N/A ASN 150.A N ALA 146.A O no hydrogen 2.922 N/A ILE 151.A N GLU 147.A O no hydrogen 2.930 N/A PHE 152.A N GLN 148.A O no hydrogen 2.766 N/A GLY 153.A N ARG 149.A O no hydrogen 2.753 N/A ALA 156.A N ASP 154.A OD1 no hydrogen 3.043 N/A ALA 157.A N ASP 154.A O no hydrogen 3.090 N/A LEU 158.A N LEU 155.A O no hydrogen 3.155 N/A GLY 160.A N ASP 164.A OD2 no hydrogen 2.836 N/A SER 161.A N LEU 158.A O no hydrogen 2.970 N/A SER 161.A OG LEU 158.A O no hydrogen 2.719 N/A HIS 163.A N SER 161.A OG no hydrogen 3.174 N/A ASP 164.A N SER 161.A O no hydrogen 3.074 N/A PHE 166.A N ASP 164.A OD1 no hydrogen 2.926 N/A LEU 168.A N ASP 164.A O no hydrogen 3.011 N/A ALA 169.A N LEU 165.A O no hydrogen 2.864 N/A GLU 170.A N PHE 166.A O no hydrogen 3.221 N/A ARG 171.A N ALA 167.A O no hydrogen 3.127 N/A MET 172.A N LEU 168.A O no hydrogen 3.022 N/A ALA 173.A N ALA 169.A O no hydrogen 2.966 N/A GLN 174.A N ARG 171.A O no hydrogen 3.155 N/A SER 175.A N MET 172.A O no hydrogen 3.111 N/A GLY 177.A N SER 175.A OG no hydrogen 3.027 N/A LYS 181.A N ALA 130.A O no hydrogen 2.906 N/A LYS 181.A NZ TRP 234.A O no hydrogen 2.712 N/A TYR 183.A N ALA 132.A O no hydrogen 3.045 N/A TYR 183.A OH GLU 213.A OE1 no hydrogen 2.719 N/A GLN 184.A N MET 211.A O no hydrogen 2.857 N/A GLN 184.A NE2 ASN 196.A O no hydrogen 2.933 N/A GLN 184.A NE2 ASN 196.A OD1 no hydrogen 2.937 N/A CYS 185.A N SER 134.A O no hydrogen 2.944 N/A CYS 185.A SG TYR 223.A OH no hydrogen 3.436 N/A CYS 186.A N GLU 213.A O no hydrogen 3.193 N/A CYS 186.A SG GLY 187.A O no hydrogen 3.457 N/A THR 188.A N SER 215.A O no hydrogen 2.962 N/A THR 188.A OG1 GLU 189.A OE1 no hydrogen 3.415 N/A THR 188.A OG1 GLU 189.A OE2 no hydrogen 2.592 N/A THR 188.A OG1 SER 215.A O no hydrogen 3.524 N/A GLU 189.A N GLY 217.A O no hydrogen 2.916 N/A ASP 190.A N GLY 187.A O no hydrogen 3.114 N/A LEU 192.A N ASP 190.A OD1 no hydrogen 2.767 N/A TYR 193.A N ASP 190.A O no hydrogen 2.994 N/A TYR 193.A OH GLU 214.A OE1 no hydrogen 2.636 N/A TYR 193.A OH GLU 214.A OE2 no hydrogen 3.299 N/A ASN 196.A N LEU 192.A O no hydrogen 2.994 N/A ASN 196.A ND2 GLY 137.A O no hydrogen 2.872 N/A ASN 196.A ND2 LEU 192.A O no hydrogen 2.915 N/A VAL 197.A N TYR 193.A O no hydrogen 2.841 N/A ARG 198.A N GLU 194.A O no hydrogen 2.957 N/A ARG 198.A NH1 ASP 140.A OD2 no hydrogen 3.148 N/A ARG 198.A NH2 ASP 140.A OD2 no hydrogen 2.822 N/A ARG 198.A NH2 ASP 195.A OD1 no hydrogen 2.616 N/A PHE 199.A N ASP 195.A O no hydrogen 2.976 N/A ARG 200.A N ASN 196.A O no hydrogen 2.860 N/A ARG 200.A NE ASP 201.A OD1 no hydrogen 3.024 N/A ARG 200.A NH2 ASP 201.A OD1 no hydrogen 2.838 N/A ASP 201.A N VAL 197.A O no hydrogen 2.895 N/A HIS 202.A N ARG 198.A O no hydrogen 3.011 N/A HIS 202.A NE2 PHE 166.A O no hydrogen 2.840 N/A VAL 203.A N PHE 199.A O no hydrogen 2.928 N/A ARG 204.A N ARG 200.A O no hydrogen 2.922 N/A GLY 205.A N ASP 201.A O no hydrogen 3.016 N/A LEU 206.A N HIS 202.A O no hydrogen 3.154 N/A LEU 206.A N VAL 203.A O no hydrogen 3.150 N/A GLY 207.A N ARG 204.A O no hydrogen 3.218 N/A LEU 208.A N VAL 203.A O no hydrogen 3.072 N/A MET 211.A N LEU 182.A O no hydrogen 2.923 N/A TYR 212.A OH GLU 214.A OE1 no hydrogen 2.748 N/A GLU 213.A N GLN 184.A O no hydrogen 2.974 N/A GLY 217.A N GLU 189.A OE1 no hydrogen 2.912 N/A HIS 219.A ND1 ASP 190.A OD2 no hydrogen 2.796 N/A GLU 220.A N GLU 218.A O no hydrogen 2.946 N/A GLY 222.A N GLU 220.A OE2 no hydrogen 2.835 N/A TYR 223.A N GLU 220.A OE1 no hydrogen 2.854 N/A TRP 224.A NE1 SER 136.A OG no hydrogen 2.845 N/A ASP 225.A N TRP 221.A O no hydrogen 2.832 N/A ALA 226.A N GLY 222.A O no hydrogen 3.206 N/A GLN 227.A N TYR 223.A O no hydrogen 2.848 N/A GLN 227.A NE2 GLU 213.A OE1 no hydrogen 3.521 N/A ILE 228.A N TRP 224.A O no hydrogen 2.812 N/A GLN 229.A NE2 ASP 225.A O no hydrogen 2.986 N/A ARG 230.A NE GLU 213.A OE1 no hydrogen 2.798 N/A ARG 230.A NE GLU 213.A OE2 no hydrogen 3.272 N/A ARG 230.A NH2 GLU 213.A OE2 no hydrogen 2.715 N/A VAL 231.A N GLN 227.A O no hydrogen 2.994 N/A LEU 232.A N ILE 228.A O no hydrogen 2.872 N/A ALA 233.A N GLN 229.A O no hydrogen 3.143 N/A TRP 234.A N ARG 230.A O no hydrogen 3.102 N/A TRP 234.A N VAL 231.A O no hydrogen 3.071 N/A LEU 235.A N VAL 231.A O no hydrogen 3.083 N/A LEU 235.A N LEU 232.A O no hydrogen 3.347 N/A LEU 237.A N LEU 235.A O no hydrogen 2.837 N/A