Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 65.A OD2 no hydrogen 2.769 N/A LEU 5.A N ASP 65.A OD1 no hydrogen 2.993 N/A ALA 6.A N ASP 2.A O no hydrogen 2.957 N/A GLY 7.A N PRO 3.A O no hydrogen 2.912 N/A LEU 8.A N LEU 4.A O no hydrogen 3.279 N/A LEU 13.A N LEU 11.A O no hydrogen 2.980 N/A LEU 18.A N ASP 16.A OD1 no hydrogen 3.178 N/A TRP 19.A N ASP 16.A O no hydrogen 3.053 N/A GLU 20.A N ASP 16.A O no hydrogen 3.121 N/A PHE 21.A N VAL 93.A O no hydrogen 2.736 N/A ARG 23.A NH1 PRO 99.A O no hydrogen 3.421 N/A ARG 25.A N PRO 22.A O no hydrogen 3.088 N/A VAL 27.A N GLU 44.A O no hydrogen 2.805 N/A GLY 29.A N ARG 42.A O no hydrogen 2.669 N/A LEU 32.A N VAL 40.A O no hydrogen 2.792 N/A VAL 41.A N VAL 56.A O no hydrogen 2.858 N/A ARG 42.A N LYS 30.A O no hydrogen 2.761 N/A ALA 43.A N VAL 54.A O no hydrogen 2.835 N/A GLU 44.A N VAL 27.A O no hydrogen 3.020 N/A ALA 45.A N SER 52.A O no hydrogen 2.773 N/A PHE 46.A N ARG 25.A O no hydrogen 2.786 N/A GLY 47.A N GLN 50.A O no hydrogen 3.042 N/A ALA 51.A N GLN 50.A OE1 no hydrogen 3.083 N/A SER 52.A N ALA 45.A O no hydrogen 2.834 N/A VAL 54.A N ALA 43.A O no hydrogen 2.771 N/A ALA 55.A N LEU 104.A O no hydrogen 2.784 N/A VAL 56.A N VAL 41.A O no hydrogen 2.680 N/A LYS 57.A N VAL 102.A O no hydrogen 2.816 N/A LYS 57.A NZ GLU 74.A OE1 no hydrogen 2.905 N/A LYS 57.A NZ GLU 74.A OE2 no hydrogen 3.253 N/A MET 58.A N GLN 39.A O no hydrogen 2.852 N/A ASN 62.A N ASN 62.A OD1 no hydrogen 2.629 N/A ALA 63.A N LYS 60.A O no hydrogen 2.873 N/A SER 64.A N ASP 67.A OD2 no hydrogen 3.163 N/A ASP 65.A N GLN 1.A O no hydrogen 2.733 N/A ASP 67.A N SER 64.A OG no hydrogen 3.244 N/A LEU 68.A N SER 64.A O no hydrogen 3.074 N/A ALA 69.A N ASP 65.A O no hydrogen 2.843 N/A ASP 70.A N LYS 66.A O no hydrogen 2.832 N/A LEU 71.A N ASP 67.A O no hydrogen 3.052 N/A VAL 72.A N LEU 68.A O no hydrogen 3.062 N/A SER 73.A N ALA 69.A O no hydrogen 2.916 N/A GLU 74.A N ASP 70.A O no hydrogen 2.802 N/A MET 75.A N LEU 71.A O no hydrogen 2.863 N/A GLU 76.A N VAL 72.A O no hydrogen 2.741 N/A VAL 77.A N SER 73.A O no hydrogen 2.883 N/A MET 78.A N GLU 74.A O no hydrogen 3.041 N/A LYS 79.A N MET 75.A O no hydrogen 3.173 N/A LYS 79.A NZ ASP 16.A OD2 no hydrogen 3.056 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 2.748 N/A LEU 80.A N VAL 77.A O no hydrogen 3.169 N/A HIS 84.A N ASN 89.A OD1 no hydrogen 2.975 N/A ASN 86.A N HIS 84.A ND1 no hydrogen 2.888 N/A ASN 86.A ND2 GLN 136.A OE1 no hydrogen 3.630 N/A ASN 86.A ND2 MET 167.A O no hydrogen 2.919 N/A ILE 87.A N HIS 84.A O no hydrogen 3.393 N/A ILE 88.A N ILE 169.A O no hydrogen 2.907 N/A ASN 89.A N GLU 105.A OE2 no hydrogen 3.024 N/A ASN 89.A ND2 HIS 84.A O no hydrogen 2.825 N/A ASN 89.A ND2 GLU 105.A OE1 no hydrogen 3.060 N/A ASN 89.A ND2 GLU 105.A OE2 no hydrogen 2.855 N/A LEU 91.A N ILE 103.A O no hydrogen 2.856 N/A VAL 93.A N TRP 19.A O no hydrogen 2.948 N/A CYS 94.A N TYR 101.A O no hydrogen 2.901 N/A CYS 94.A SG PHE 21.A O no hydrogen 3.255 N/A THR 95.A N GLU 20.A OE2 no hydrogen 2.813 N/A THR 95.A OG1 GLU 20.A OE1 no hydrogen 2.584 N/A THR 95.A OG1 GLU 20.A OE2 no hydrogen 3.555 N/A GLN 96.A NE2 LEU 13.A O no hydrogen 3.092 N/A GLN 96.A NE2 THR 95.A OG1 no hydrogen 2.980 N/A TYR 101.A N CYS 94.A O no hydrogen 3.009 N/A VAL 102.A N LYS 57.A O no hydrogen 2.787 N/A ILE 103.A N GLY 92.A O no hydrogen 2.841 N/A LEU 104.A N ALA 55.A O no hydrogen 2.737 N/A GLU 105.A N ASN 89.A O no hydrogen 3.170 N/A LYS 109.A N VAL 161.A O no hydrogen 2.767 N/A LYS 109.A NZ ASN 165.A OD1 no hydrogen 2.582 N/A GLY 110.A N ALA 107.A O no hydrogen 3.389 N/A LEU 112.A N ALA 156.A O no hydrogen 3.201 N/A LEU 112.A N VAL 159.A O no hydrogen 2.636 N/A GLU 114.A N ASN 111.A OD1 no hydrogen 2.922 N/A PHE 115.A N ASN 111.A O no hydrogen 3.028 N/A LEU 116.A N LEU 112.A O no hydrogen 2.958 N/A ARG 117.A N ARG 113.A O no hydrogen 2.958 N/A ARG 117.A NH2 GLY 211.A O no hydrogen 2.777 N/A ALA 118.A N GLU 114.A O no hydrogen 2.909 N/A ARG 119.A N LEU 116.A O no hydrogen 3.058 N/A ARG 119.A NH1 PHE 115.A O no hydrogen 2.749 N/A ARG 120.A N ARG 117.A O no hydrogen 3.267 N/A ARG 120.A NE LEU 210.A O no hydrogen 2.757 N/A ARG 120.A NH2 THR 209.A O no hydrogen 3.212 N/A ARG 120.A NH2 LEU 210.A O no hydrogen 3.448 N/A LEU 130.A N SER 126.A O no hydrogen 2.987 N/A VAL 131.A N PHE 127.A O no hydrogen 2.983 N/A SER 132.A N PRO 128.A O no hydrogen 3.023 N/A CYS 133.A N VAL 129.A O no hydrogen 2.924 N/A CYS 133.A SG VAL 129.A O no hydrogen 3.418 N/A ALA 134.A N LEU 130.A O no hydrogen 3.010 N/A TYR 135.A N VAL 131.A O no hydrogen 2.759 N/A GLN 136.A N SER 132.A O no hydrogen 3.012 N/A GLN 136.A NE2 SER 132.A O no hydrogen 3.338 N/A GLN 136.A NE2 SER 132.A OG no hydrogen 2.874 N/A VAL 137.A N CYS 133.A O no hydrogen 3.160 N/A ALA 138.A N ALA 134.A O no hydrogen 2.928 N/A ARG 139.A N TYR 135.A O no hydrogen 2.920 N/A GLY 140.A N GLN 136.A O no hydrogen 3.006 N/A MET 141.A N VAL 137.A O no hydrogen 2.861 N/A GLN 142.A N ALA 138.A O no hydrogen 2.772 N/A TYR 143.A N ARG 139.A O no hydrogen 2.999 N/A TYR 143.A OH ILE 81.A O no hydrogen 2.720 N/A LEU 144.A N GLY 140.A O no hydrogen 2.884 N/A GLU 145.A N MET 141.A O no hydrogen 2.742 N/A SER 146.A N GLN 142.A O no hydrogen 3.009 N/A SER 146.A OG TYR 143.A O no hydrogen 2.640 N/A ARG 147.A N TYR 143.A O no hydrogen 3.125 N/A ARG 147.A N LEU 144.A O no hydrogen 2.962 N/A LYS 148.A N GLU 145.A O no hydrogen 2.818 N/A CYS 149.A N LEU 144.A O no hydrogen 2.861 N/A HIS 151.A N ASP 196.A OD2 no hydrogen 2.819 N/A HIS 151.A NE2 ALA 170.A O no hydrogen 2.769 N/A ARG 152.A N ASP 196.A OD1 no hydrogen 2.983 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.004 N/A ALA 156.A N GLU 206.A OE2 no hydrogen 2.917 N/A ASN 158.A N ALA 155.A O no hydrogen 2.801 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.650 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 3.094 N/A VAL 159.A N ALA 156.A O no hydrogen 3.126 N/A LEU 160.A N LYS 168.A O no hydrogen 2.747 N/A VAL 161.A N GLY 110.A O no hydrogen 2.817 N/A THR 162.A N VAL 166.A O no hydrogen 3.176 N/A ASP 164.A N THR 162.A OG1 no hydrogen 3.202 N/A ASN 165.A N THR 162.A O no hydrogen 2.891 N/A VAL 166.A N THR 162.A OG1 no hydrogen 3.258 N/A MET 167.A N GLN 136.A OE1 no hydrogen 2.776 N/A LYS 168.A N LEU 160.A O no hydrogen 2.762 N/A LYS 168.A NZ LYS 85.A O no hydrogen 2.855 N/A LYS 168.A NZ ILE 87.A O no hydrogen 3.190 N/A LYS 168.A NZ GLU 105.A OE1 no hydrogen 3.330 N/A LYS 168.A NZ GLU 105.A OE2 no hydrogen 2.634 N/A ILE 169.A N ASN 86.A O no hydrogen 2.927 N/A ALA 170.A N ASN 158.A O no hydrogen 2.837 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 2.915 N/A LYS 179.A NZ PRO 214.A O no hydrogen 3.110 N/A LYS 179.A NZ TYR 215.A O no hydrogen 2.917 N/A LYS 179.A NZ ILE 218.A O no hydrogen 2.937 N/A TRP 180.A N PRO 177.A O no hydrogen 3.098 N/A TRP 180.A NE1 GLU 206.A OE2 no hydrogen 2.671 N/A MET 181.A N VAL 178.A O no hydrogen 3.047 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.867 N/A ALA 185.A N ALA 182.A O no hydrogen 2.737 N/A LEU 186.A N ALA 182.A O no hydrogen 2.945 N/A PHE 187.A N PRO 183.A O no hydrogen 2.979 N/A ASP 188.A N GLU 184.A O no hydrogen 3.033 N/A GLU 189.A N ALA 185.A O no hydrogen 3.002 N/A VAL 190.A N GLU 184.A O no hydrogen 3.175 N/A THR 192.A N SER 195.A OG no hydrogen 2.782 N/A GLN 194.A N THR 192.A OG1 no hydrogen 2.655 N/A GLN 194.A NE2 PRO 255.A O no hydrogen 3.066 N/A GLN 194.A NE2 PRO 259.A O no hydrogen 3.204 N/A SER 195.A N THR 192.A OG1 no hydrogen 3.074 N/A SER 195.A OG THR 192.A O no hydrogen 2.804 N/A ASP 196.A N THR 192.A O no hydrogen 3.196 N/A VAL 197.A N HIS 193.A O no hydrogen 3.146 N/A TRP 198.A N GLN 194.A O no hydrogen 3.157 N/A SER 199.A N SER 195.A O no hydrogen 3.277 N/A SER 199.A OG TRP 180.A O no hydrogen 2.639 N/A SER 199.A OG SER 195.A O no hydrogen 3.282 N/A PHE 200.A N ASP 196.A O no hydrogen 2.809 N/A GLY 201.A N VAL 197.A O no hydrogen 2.957 N/A ILE 202.A N TRP 198.A O no hydrogen 3.135 N/A LEU 203.A N SER 199.A O no hydrogen 2.849 N/A LEU 204.A N PHE 200.A O no hydrogen 2.738 N/A TRP 205.A N GLY 201.A O no hydrogen 3.038 N/A TRP 205.A NE1 ASP 234.A O no hydrogen 3.174 N/A GLU 206.A N ILE 202.A O no hydrogen 2.864 N/A ILE 207.A N LEU 203.A O no hydrogen 2.788 N/A PHE 208.A N LEU 204.A O no hydrogen 3.026 N/A THR 209.A N TRP 205.A O no hydrogen 2.951 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.896 N/A THR 209.A OG1 GLU 206.A O no hydrogen 3.243 N/A LEU 210.A N ILE 207.A O no hydrogen 2.870 N/A GLY 211.A N GLU 206.A O no hydrogen 2.842 N/A GLY 212.A N THR 209.A OG1 no hydrogen 2.971 N/A ILE 218.A N TYR 215.A O no hydrogen 3.150 N/A GLU 222.A N PRO 219.A O no hydrogen 2.938 N/A LEU 226.A N GLU 222.A O no hydrogen 3.086 N/A LEU 227.A N LEU 223.A O no hydrogen 3.061 N/A GLU 229.A N SER 225.A O no hydrogen 2.740 N/A GLY 230.A N LEU 227.A O no hydrogen 3.018 N/A HIS 231.A N LEU 226.A O no hydrogen 2.734 N/A ARG 232.A NE TRP 251.A O no hydrogen 2.735 N/A ARG 232.A NH1 LEU 227.A O no hydrogen 3.542 N/A ARG 232.A NH1 HIS 231.A O no hydrogen 2.950 N/A ARG 232.A NH2 TRP 251.A O no hydrogen 2.742 N/A ARG 235.A N ASP 234.A OD1 no hydrogen 2.695 N/A ARG 235.A NH2 CYS 239.A O no hydrogen 2.839 N/A CYS 239.A SG PRO 240.A O no hydrogen 3.540 N/A LEU 243.A N PRO 240.A O no hydrogen 2.956 N/A TYR 244.A N PRO 240.A O no hydrogen 3.050 N/A TYR 244.A OH MET 233.A O no hydrogen 2.676 N/A GLY 245.A N PRO 241.A O no hydrogen 2.709 N/A LEU 246.A N GLU 242.A O no hydrogen 3.313 N/A MET 247.A N LEU 243.A O no hydrogen 3.098 N/A ARG 248.A N TYR 244.A O no hydrogen 2.977 N/A ARG 248.A NH1 TYR 244.A OH no hydrogen 3.053 N/A GLU 249.A N GLY 245.A O no hydrogen 3.105 N/A CYS 250.A N LEU 246.A O no hydrogen 3.072 N/A CYS 250.A SG LEU 246.A O no hydrogen 3.440 N/A TRP 251.A N MET 247.A O no hydrogen 3.194 N/A TRP 251.A N ARG 248.A O no hydrogen 3.290 N/A HIS 252.A N GLU 249.A O no hydrogen 3.156 N/A ALA 254.A N HIS 252.A ND1 no hydrogen 3.109 N/A SER 256.A OG GLN 257.A OE1 no hydrogen 2.666 N/A GLN 257.A N ALA 254.A O no hydrogen 2.995 N/A ARG 258.A N PRO 255.A O no hydrogen 3.293 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.678 N/A ARG 258.A NH1 GLU 184.A OE2 no hydrogen 2.821 N/A ARG 258.A NH1 GLN 194.A O no hydrogen 3.042 N/A ARG 258.A NH2 GLU 184.A OE1 no hydrogen 2.831 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 3.141 N/A LYS 262.A NZ GLU 266.A OE1 no hydrogen 3.207 N/A LYS 262.A NZ GLU 266.A OE2 no hydrogen 2.446 N/A GLN 263.A N THR 260.A OG1 no hydrogen 3.205 N/A LEU 264.A N THR 260.A O no hydrogen 3.072 N/A VAL 265.A N PHE 261.A O no hydrogen 2.923 N/A GLU 266.A N LYS 262.A O no hydrogen 3.073 N/A ALA 267.A N GLN 263.A O no hydrogen 2.896 N/A LEU 268.A N LEU 264.A O no hydrogen 2.935 N/A ASP 269.A N VAL 265.A O no hydrogen 2.789 N/A LYS 270.A N GLU 266.A O no hydrogen 3.119 N/A VAL 271.A N ALA 267.A O no hydrogen 3.151 N/A LEU 272.A N LEU 268.A O no hydrogen 3.014 N/A LEU 273.A N ASP 269.A O no hydrogen 2.960 N/A ALA 274.A N LYS 270.A O no hydrogen 3.176 N/A VAL 275.A N LEU 272.A O no hydrogen 3.095 N/A