Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A O no hydrogen 3.143 N/A VAL 5.A N VAL 79.A O no hydrogen 2.708 N/A ARG 7.A NH1 PRO 85.A O no hydrogen 2.677 N/A ARG 7.A NH2 LYS 82.A O no hydrogen 2.654 N/A ARG 7.A NH2 PRO 85.A O no hydrogen 3.243 N/A LYS 9.A N SER 6.A O no hydrogen 2.835 N/A THR 11.A N ASN 28.A O no hydrogen 3.064 N/A LEU 13.A N GLU 26.A O no hydrogen 2.729 N/A ARG 14.A NE GLU 26.A OE1 no hydrogen 2.994 N/A ARG 14.A NH2 GLU 26.A OE1 no hydrogen 3.143 N/A LEU 16.A N VAL 24.A O no hydrogen 2.708 N/A GLY 17.A N VAL 24.A O no hydrogen 3.169 N/A GLY 19.A N GLY 22.A O no hydrogen 2.719 N/A MET 23.A N THR 45.A OG1 no hydrogen 3.342 N/A VAL 24.A N GLY 17.A O no hydrogen 2.833 N/A TYR 25.A N VAL 43.A O no hydrogen 2.864 N/A GLU 26.A N ARG 14.A O no hydrogen 3.018 N/A GLY 27.A N VAL 41.A O no hydrogen 2.941 N/A ASN 28.A N THR 11.A O no hydrogen 2.786 N/A ASN 28.A ND2 GLY 27.A O no hydrogen 3.337 N/A ALA 29.A N THR 39.A O no hydrogen 2.947 N/A ARG 30.A N LYS 9.A O no hydrogen 2.925 N/A ASP 31.A N ALA 37.A O no hydrogen 2.634 N/A GLU 36.A N ILE 33.A O no hydrogen 2.873 N/A THR 39.A N ALA 29.A O no hydrogen 2.764 N/A THR 39.A OG1 GLU 36.A OE1 no hydrogen 2.749 N/A ARG 40.A NH1 GLU 26.A OE2 no hydrogen 2.714 N/A VAL 41.A N GLY 27.A O no hydrogen 2.907 N/A ALA 42.A N MET 90.A O no hydrogen 3.068 N/A VAL 43.A N TYR 25.A O no hydrogen 2.679 N/A LYS 44.A N VAL 88.A O no hydrogen 2.884 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 2.739 N/A LYS 44.A NZ GLU 61.A OE2 no hydrogen 3.273 N/A THR 45.A N MET 23.A O no hydrogen 3.152 N/A THR 45.A OG1 MET 23.A O no hydrogen 2.789 N/A ASN 47.A N PHE 21.A O no hydrogen 3.024 N/A ALA 50.A N ASN 47.A O no hydrogen 2.843 N/A SER 51.A N GLU 54.A OE2 no hydrogen 3.210 N/A GLU 54.A N SER 51.A O no hydrogen 2.995 N/A GLU 54.A N SER 51.A OG no hydrogen 3.283 N/A ARG 55.A N SER 51.A O no hydrogen 2.869 N/A ARG 55.A NE ALA 50.A O no hydrogen 2.869 N/A ARG 55.A NH2 ALA 50.A O no hydrogen 3.223 N/A ILE 56.A N LEU 52.A O no hydrogen 2.817 N/A GLU 57.A N ARG 53.A O no hydrogen 3.260 N/A PHE 58.A N GLU 54.A O no hydrogen 2.945 N/A LEU 59.A N ARG 55.A O no hydrogen 2.881 N/A ASN 60.A N ILE 56.A O no hydrogen 2.805 N/A ASN 60.A ND2 GLY 166.A O no hydrogen 2.902 N/A ASN 60.A ND2 THR 168.A O no hydrogen 3.159 N/A GLU 61.A N GLU 57.A O no hydrogen 3.017 N/A ALA 62.A N PHE 58.A O no hydrogen 3.479 N/A SER 63.A N LEU 59.A O no hydrogen 2.988 N/A VAL 64.A N ASN 60.A O no hydrogen 2.875 N/A MET 65.A N GLU 61.A O no hydrogen 3.105 N/A LYS 66.A N ALA 62.A O no hydrogen 3.284 N/A LYS 66.A N SER 63.A O no hydrogen 3.253 N/A GLY 67.A N VAL 64.A O no hydrogen 3.331 N/A PHE 68.A N MET 65.A O no hydrogen 2.937 N/A THR 69.A N TYR 136.A OH no hydrogen 2.779 N/A HIS 72.A ND1 ASP 132.A OD2 no hydrogen 2.539 N/A VAL 73.A N CYS 70.A O no hydrogen 3.106 N/A VAL 74.A N ILE 162.A O no hydrogen 2.872 N/A ARG 75.A N GLU 91.A OE2 no hydrogen 2.864 N/A LEU 77.A N VAL 89.A O no hydrogen 2.673 N/A GLY 78.A N VAL 89.A O no hydrogen 2.979 N/A VAL 79.A N TRP 3.A O no hydrogen 2.936 N/A VAL 80.A N LEU 87.A O no hydrogen 2.911 N/A SER 81.A N GLU 4.A OE1 no hydrogen 3.058 N/A SER 81.A N GLU 4.A OE2 no hydrogen 3.165 N/A LEU 87.A N VAL 80.A O no hydrogen 3.024 N/A VAL 88.A N LYS 44.A O no hydrogen 3.095 N/A VAL 89.A N GLY 78.A O no hydrogen 2.743 N/A MET 90.A N ALA 42.A O no hydrogen 3.091 N/A GLU 91.A N ARG 75.A O no hydrogen 2.916 N/A HIS 95.A N VAL 154.A O no hydrogen 2.850 N/A GLY 96.A N MET 93.A O no hydrogen 2.858 N/A LEU 98.A N CYS 152.A O no hydrogen 2.731 N/A LYS 99.A N ALA 149.A O no hydrogen 3.175 N/A SER 100.A N ASP 97.A OD2 no hydrogen 2.825 N/A SER 100.A OG ASP 97.A OD1 no hydrogen 3.083 N/A SER 100.A OG ASP 97.A OD2 no hydrogen 3.204 N/A TYR 101.A N ASP 97.A O no hydrogen 3.000 N/A LEU 102.A N LEU 98.A O no hydrogen 2.691 N/A ARG 103.A N LYS 99.A O no hydrogen 2.959 N/A ARG 103.A NE ALA 217.A O no hydrogen 2.796 N/A ARG 103.A NH2 ALA 217.A O no hydrogen 2.814 N/A SER 104.A N SER 100.A O no hydrogen 3.161 N/A SER 104.A N TYR 101.A O no hydrogen 3.067 N/A SER 104.A OG TYR 101.A O no hydrogen 2.630 N/A LEU 105.A N LEU 102.A O no hydrogen 3.085 N/A ARG 106.A N ARG 103.A O no hydrogen 3.082 N/A ALA 109.A N ARG 106.A O no hydrogen 2.964 N/A ASN 112.A N ALA 109.A O no hydrogen 2.937 N/A ASN 112.A ND2 ARG 106.A O no hydrogen 2.965 N/A ARG 115.A NE PRO 116.A O no hydrogen 3.031 N/A ARG 115.A NH2 GLU 122.A OE2 no hydrogen 2.538 N/A THR 119.A N GLU 122.A OE2 no hydrogen 2.577 N/A GLN 121.A NE2 ASP 277.A O no hydrogen 3.350 N/A GLU 122.A N THR 119.A OG1 no hydrogen 2.672 N/A MET 123.A N THR 119.A O no hydrogen 2.711 N/A ILE 124.A N LEU 120.A O no hydrogen 2.931 N/A GLN 125.A N GLN 121.A O no hydrogen 3.036 N/A GLN 125.A NE2 GLU 129.A OE1 no hydrogen 3.094 N/A MET 126.A N GLU 122.A O no hydrogen 3.095 N/A ALA 127.A N MET 123.A O no hydrogen 2.823 N/A ALA 128.A N ILE 124.A O no hydrogen 2.882 N/A GLU 129.A N GLN 125.A O no hydrogen 2.914 N/A ILE 130.A N MET 126.A O no hydrogen 2.801 N/A ALA 131.A N ALA 127.A O no hydrogen 2.803 N/A ASP 132.A N ALA 128.A O no hydrogen 2.708 N/A GLY 133.A N GLU 129.A O no hydrogen 3.104 N/A MET 134.A N ILE 130.A O no hydrogen 3.050 N/A ALA 135.A N ALA 131.A O no hydrogen 2.925 N/A TYR 136.A N ASP 132.A O no hydrogen 3.143 N/A LEU 137.A N GLY 133.A O no hydrogen 3.151 N/A ASN 138.A N MET 134.A O no hydrogen 2.791 N/A ALA 139.A N ALA 135.A O no hydrogen 2.725 N/A LYS 140.A N TYR 136.A O no hydrogen 2.856 N/A LYS 140.A NZ GLY 67.A O no hydrogen 3.244 N/A LYS 141.A N ASN 138.A O no hydrogen 2.660 N/A LYS 141.A NZ ASP 174.A OD1 no hydrogen 3.167 N/A PHE 142.A N LEU 137.A O no hydrogen 3.144 N/A VAL 143.A N ARG 169.A O no hydrogen 2.927 N/A HIS 144.A N ASP 202.A OD2 no hydrogen 2.928 N/A ARG 145.A N ASP 202.A OD1 no hydrogen 2.905 N/A ARG 145.A NH1 MET 167.A O no hydrogen 2.803 N/A ALA 149.A N GLU 212.A OE1 no hydrogen 2.892 N/A ASN 151.A N ALA 148.A O no hydrogen 2.839 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.854 N/A ASN 151.A ND2 ASP 146.A OD2 no hydrogen 2.893 N/A CYS 152.A N ALA 149.A O no hydrogen 3.153 N/A CYS 152.A SG ALA 148.A O no hydrogen 3.635 N/A MET 153.A N LYS 161.A O no hydrogen 2.749 N/A VAL 154.A N GLY 96.A O no hydrogen 2.724 N/A ALA 155.A N THR 159.A O no hydrogen 2.873 N/A PHE 158.A N ALA 155.A O no hydrogen 2.720 N/A THR 159.A N ASP 157.A OD1 no hydrogen 2.698 N/A THR 159.A OG1 ASP 157.A OD1 no hydrogen 2.600 N/A VAL 160.A N GLU 129.A OE2 no hydrogen 2.879 N/A LYS 161.A N MET 153.A O no hydrogen 2.838 N/A LYS 161.A NZ GLU 91.A OE1 no hydrogen 2.810 N/A LYS 161.A NZ GLU 91.A OE2 no hydrogen 3.087 N/A ILE 162.A N HIS 72.A O no hydrogen 2.940 N/A GLY 163.A N ASN 151.A O no hydrogen 2.932 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 3.207 N/A THR 168.A N PHE 165.A O no hydrogen 3.218 N/A THR 168.A OG1 HIS 144.A O no hydrogen 3.510 N/A ARG 169.A N VAL 143.A O no hydrogen 2.969 N/A ARG 169.A NH1 GLY 166.A O no hydrogen 3.248 N/A ARG 169.A NH1 THR 168.A O no hydrogen 2.804 N/A ILE 171.A N LYS 141.A O no hydrogen 2.871 N/A ASP 174.A N ILE 171.A O no hydrogen 2.771 N/A LYS 176.A N GLY 195.A O no hydrogen 2.872 N/A TRP 186.A N PRO 183.A O no hydrogen 2.893 N/A TRP 186.A NE1 GLU 212.A OE1 no hydrogen 2.955 N/A MET 187.A N VAL 184.A O no hydrogen 3.001 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.667 N/A SER 191.A N ALA 188.A O no hydrogen 3.202 N/A SER 191.A OG VAL 196.A O no hydrogen 2.726 N/A LEU 192.A N ALA 188.A O no hydrogen 3.152 N/A LYS 193.A N PRO 189.A O no hydrogen 2.891 N/A ASP 194.A N GLU 190.A O no hydrogen 2.821 N/A GLY 195.A N SER 191.A O no hydrogen 2.806 N/A THR 198.A N SER 201.A OG no hydrogen 2.731 N/A SER 200.A OG PRO 261.A O no hydrogen 3.045 N/A SER 201.A N THR 198.A OG1 no hydrogen 3.278 N/A SER 201.A OG THR 198.A O no hydrogen 2.745 N/A ASP 202.A N THR 198.A O no hydrogen 3.132 N/A MET 203.A N THR 199.A O no hydrogen 2.969 N/A TRP 204.A N SER 200.A O no hydrogen 3.175 N/A SER 205.A N SER 201.A O no hydrogen 3.133 N/A SER 205.A OG TRP 186.A O no hydrogen 2.666 N/A SER 205.A OG SER 201.A O no hydrogen 3.382 N/A PHE 206.A N ASP 202.A O no hydrogen 2.860 N/A GLY 207.A N MET 203.A O no hydrogen 3.013 N/A VAL 208.A N TRP 204.A O no hydrogen 3.122 N/A VAL 209.A N SER 205.A O no hydrogen 2.890 N/A LEU 210.A N PHE 206.A O no hydrogen 2.976 N/A TRP 211.A N GLY 207.A O no hydrogen 3.106 N/A TRP 211.A NE1 ASP 240.A O no hydrogen 2.878 N/A GLU 212.A N VAL 208.A O no hydrogen 2.854 N/A ILE 213.A N VAL 209.A O no hydrogen 2.722 N/A THR 214.A N LEU 210.A O no hydrogen 2.859 N/A THR 214.A OG1 LEU 210.A O no hydrogen 3.057 N/A THR 214.A OG1 TRP 211.A O no hydrogen 3.261 N/A SER 215.A N GLU 212.A O no hydrogen 3.246 N/A SER 215.A OG TRP 211.A O no hydrogen 2.798 N/A SER 215.A OG GLU 212.A O no hydrogen 3.271 N/A LEU 216.A N ILE 213.A O no hydrogen 3.206 N/A ALA 217.A N GLU 212.A O no hydrogen 2.675 N/A GLU 218.A N SER 215.A OG no hydrogen 3.286 N/A GLY 223.A N GLN 222.A OE1 no hydrogen 2.903 N/A SER 225.A OG GLU 227.A OE1 no hydrogen 2.664 N/A VAL 229.A N SER 225.A O no hydrogen 2.822 N/A LEU 230.A N ASN 226.A O no hydrogen 2.800 N/A LYS 231.A N GLU 227.A O no hydrogen 3.126 N/A PHE 232.A N GLN 228.A O no hydrogen 2.691 N/A VAL 233.A N VAL 229.A O no hydrogen 2.840 N/A MET 234.A N LEU 230.A O no hydrogen 2.881 N/A ASP 235.A N LYS 231.A O no hydrogen 2.872 N/A ASP 235.A N PHE 232.A O no hydrogen 3.210 N/A GLY 236.A N VAL 233.A O no hydrogen 2.978 N/A GLY 237.A N PHE 232.A O no hydrogen 2.982 N/A CYS 245.A N PRO 242.A O no hydrogen 3.324 N/A CYS 245.A SG PRO 246.A O no hydrogen 3.316 N/A CYS 245.A SG THR 250.A OG1 no hydrogen 3.216 N/A ARG 248.A NH1 ASP 277.A OD2 no hydrogen 2.746 N/A ARG 248.A NH2 LEU 273.A O no hydrogen 3.255 N/A ARG 248.A NH2 ASP 277.A OD2 no hydrogen 2.669 N/A THR 250.A N PRO 246.A O no hydrogen 2.954 N/A THR 250.A OG1 PRO 246.A O no hydrogen 3.231 N/A ASP 251.A N GLU 247.A O no hydrogen 2.793 N/A ASP 251.A N ARG 248.A O no hydrogen 3.185 N/A LEU 252.A N ARG 248.A O no hydrogen 3.354 N/A MET 253.A N VAL 249.A O no hydrogen 3.051 N/A ARG 254.A N THR 250.A O no hydrogen 3.130 N/A MET 255.A N ASP 251.A O no hydrogen 3.008 N/A CYS 256.A N LEU 252.A O no hydrogen 2.828 N/A CYS 256.A SG MET 203.A O no hydrogen 3.569 N/A CYS 256.A SG LEU 252.A O no hydrogen 3.258 N/A TRP 257.A N MET 253.A O no hydrogen 2.894 N/A TRP 257.A N ARG 254.A O no hydrogen 3.311 N/A TRP 257.A NE1 TRP 204.A O no hydrogen 3.253 N/A GLN 258.A NE2 ARG 254.A O no hydrogen 2.979 N/A ASN 262.A N ASN 260.A OD1 no hydrogen 3.105 N/A MET 263.A N ASN 260.A O no hydrogen 2.678 N/A ARG 264.A N PRO 261.A O no hydrogen 3.371 N/A ARG 264.A NE GLN 258.A O no hydrogen 2.965 N/A ARG 264.A NH1 GLU 190.A OE2 no hydrogen 2.615 N/A ARG 264.A NH1 SER 200.A O no hydrogen 3.254 N/A ARG 264.A NH2 GLU 190.A OE1 no hydrogen 3.132 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 3.353 N/A THR 266.A N GLU 269.A OE1 no hydrogen 3.060 N/A GLU 269.A N THR 266.A OG1 no hydrogen 3.004 N/A ILE 270.A N THR 266.A O no hydrogen 2.901 N/A VAL 271.A N PHE 267.A O no hydrogen 3.024 N/A ASN 272.A N LEU 268.A O no hydrogen 2.827 N/A LEU 273.A N GLU 269.A O no hydrogen 2.956 N/A LEU 274.A N VAL 271.A O no hydrogen 2.723 N/A LYS 275.A N VAL 271.A O no hydrogen 2.712 N/A LYS 275.A NZ ASP 276.A OD1 no hydrogen 3.049 N/A LYS 275.A NZ ASP 276.A OD2 no hydrogen 3.305 N/A HIS 279.A N GLN 125.A OE1 no hydrogen 2.968 N/A SER 281.A N HIS 279.A ND1 no hydrogen 2.856 N/A PHE 282.A N HIS 279.A O no hydrogen 2.930 N/A GLU 284.A N SER 281.A O no hydrogen 2.780 N/A VAL 285.A N PHE 282.A O no hydrogen 2.989 N/A SER 286.A N PHE 282.A O no hydrogen 2.757 N/A SER 286.A OG PHE 282.A O no hydrogen 3.420 N/A SER 286.A OG HIS 289.A ND1 no hydrogen 2.800 N/A PHE 287.A N ASP 132.A OD1 no hydrogen 2.837 N/A PHE 287.A N ASP 132.A OD2 no hydrogen 2.779 N/A PHE 288.A N ASP 132.A OD1 no hydrogen 2.873 N/A HIS 289.A N SER 286.A OG no hydrogen 2.927 N/A HIS 289.A ND1 SER 286.A OG no hydrogen 2.800 N/A SER 290.A N PHE 287.A O no hydrogen 2.869 N/A GLU 292.A N SER 290.A OG no hydrogen 2.850 N/A ASN 293.A N SER 290.A O no hydrogen 3.244 N/A ASN 293.A ND2 PHE 288.A O no hydrogen 3.062 N/A LYS 294.A N GLU 292.A O no hydrogen 2.828 N/A