Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 48.A OD2 no hydrogen 2.591 N/A HIS 3.A N ASP 1.A OD2 no hydrogen 2.819 N/A PHE 5.A N TYR 2.A O no hydrogen 3.033 N/A SER 7.A N ASP 37.A OD2 no hydrogen 3.132 N/A SER 7.A OG ASP 37.A OD2 no hydrogen 2.586 N/A LEU 8.A N PHE 5.A O no hydrogen 3.088 N/A ARG 9.A N VAL 21.A O no hydrogen 3.336 N/A ARG 9.A NE GLU 11.A OE2 no hydrogen 3.118 N/A ARG 9.A NH1 GLU 59.A OE1 no hydrogen 2.846 N/A ARG 9.A NH2 GLU 59.A OE1 no hydrogen 2.883 N/A GLU 11.A N THR 19.A O no hydrogen 3.009 N/A GLY 13.A N VAL 17.A O no hydrogen 3.021 N/A GLY 16.A N GLY 13.A O no hydrogen 3.314 N/A VAL 17.A N ASP 15.A OD1 no hydrogen 3.392 N/A LEU 18.A N ALA 53.A O no hydrogen 2.839 N/A THR 19.A N GLU 11.A O no hydrogen 2.797 N/A VAL 20.A N LEU 55.A O no hydrogen 2.721 N/A VAL 21.A N ARG 9.A O no hydrogen 3.105 N/A LEU 22.A N ARG 57.A O no hydrogen 2.859 N/A SER 24.A N ASN 28.A OD1 no hydrogen 3.118 N/A SER 24.A OG SER 29.A O no hydrogen 2.738 N/A ASN 28.A N SER 24.A O no hydrogen 2.857 N/A ASN 28.A ND2 GLU 59.A O no hydrogen 3.035 N/A ASN 28.A ND2 ALA 62.A O no hydrogen 2.964 N/A ASN 28.A ND2 PHE 63.A O no hydrogen 3.580 N/A SER 29.A N PRO 25.A O no hydrogen 3.417 N/A SER 29.A OG PRO 25.A O no hydrogen 2.891 N/A VAL 30.A N GLY 66.A O no hydrogen 2.744 N/A GLN 33.A NE2 ASP 37.A OD1 no hydrogen 2.935 N/A GLN 33.A NE2 ASP 37.A OD2 no hydrogen 3.346 N/A HIS 35.A N GLY 31.A O no hydrogen 2.818 N/A HIS 35.A ND1 GLU 88.A OE1 no hydrogen 2.666 N/A ARG 36.A N PRO 32.A O no hydrogen 3.216 N/A ARG 36.A NE ASP 40.A OD2 no hydrogen 2.902 N/A ARG 36.A NH1 ASP 4.A O no hydrogen 2.791 N/A ARG 36.A NH1 ASP 37.A OD1 no hydrogen 2.767 N/A ARG 36.A NH2 ASP 4.A OD2 no hydrogen 3.147 N/A ARG 36.A NH2 ASP 40.A OD2 no hydrogen 3.443 N/A ASP 37.A N GLN 33.A O no hydrogen 2.789 N/A LEU 38.A N MET 34.A O no hydrogen 2.761 N/A ALA 39.A N HIS 35.A O no hydrogen 3.312 N/A ASP 40.A N ARG 36.A O no hydrogen 2.880 N/A ILE 41.A N ASP 37.A O no hydrogen 3.011 N/A ILE 45.A N ILE 41.A O no hydrogen 3.060 N/A ASP 46.A N TRP 42.A O no hydrogen 2.965 N/A ARG 47.A N PRO 43.A O no hydrogen 3.259 N/A ARG 47.A N VAL 44.A O no hydrogen 3.167 N/A ASP 48.A N ILE 45.A O no hydrogen 3.017 N/A ALA 50.A N ASP 48.A OD1 no hydrogen 2.803 N/A VAL 51.A N ASP 48.A O no hydrogen 3.107 N/A ARG 52.A N GLY 16.A O no hydrogen 2.651 N/A ARG 52.A NE ALA 203.A O no hydrogen 2.939 N/A ARG 52.A NH2 ALA 203.A O no hydrogen 3.004 N/A ALA 53.A N GLY 16.A O no hydrogen 3.343 N/A VAL 54.A N PRO 102.A O no hydrogen 2.862 N/A LEU 55.A N LEU 18.A O no hydrogen 2.893 N/A VAL 56.A N VAL 104.A O no hydrogen 2.927 N/A ARG 57.A N VAL 20.A O no hydrogen 3.058 N/A GLU 59.A N LEU 22.A O no hydrogen 2.804 N/A GLY 60.A N GLU 59.A OE2 no hydrogen 3.212 N/A PHE 63.A N PRO 110.A O no hydrogen 3.009 N/A SER 64.A N PRO 110.A O no hydrogen 2.828 N/A SER 64.A OG ASN 28.A O no hydrogen 2.730 N/A SER 65.A N LEU 27.A O no hydrogen 2.968 N/A SER 65.A OG GLY 26.A O no hydrogen 2.758 N/A GLY 66.A N SER 64.A OG no hydrogen 3.161 N/A SER 68.A N VAL 30.A O no hydrogen 3.061 N/A LEU 71.A N SER 68.A OG no hydrogen 3.424 N/A ILE 72.A N SER 68.A O no hydrogen 3.186 N/A ASP 73.A N PHE 69.A O no hydrogen 2.871 N/A GLU 74.A N ASP 70.A O no hydrogen 2.927 N/A THR 75.A N LEU 71.A O no hydrogen 3.135 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.916 N/A ILE 76.A N ILE 72.A O no hydrogen 2.881 N/A GLY 77.A N ASP 73.A O no hydrogen 2.787 N/A ASP 78.A N GLU 74.A O no hydrogen 3.129 N/A GLY 81.A N ASP 78.A OD2 no hydrogen 3.079 N/A ARG 82.A N ASP 78.A O no hydrogen 2.907 N/A ARG 82.A NE THR 75.A O no hydrogen 3.043 N/A ARG 82.A NH2 THR 75.A O no hydrogen 3.275 N/A ARG 82.A NH2 ILE 76.A O no hydrogen 3.125 N/A ILE 83.A N TYR 79.A O no hydrogen 2.987 N/A ARG 84.A N GLN 80.A O no hydrogen 3.117 N/A ARG 84.A NE GLU 88.A OE2 no hydrogen 3.113 N/A ARG 84.A NH1 GLU 74.A OE2 no hydrogen 2.776 N/A ARG 84.A NH2 GLU 74.A OE1 no hydrogen 3.159 N/A ARG 84.A NH2 GLU 74.A OE2 no hydrogen 3.361 N/A ILE 85.A N GLY 81.A O no hydrogen 2.947 N/A MET 86.A N ARG 82.A O no hydrogen 2.884 N/A ARG 87.A N ILE 83.A O no hydrogen 2.871 N/A GLU 88.A N ARG 84.A O no hydrogen 3.038 N/A ALA 89.A N ILE 85.A O no hydrogen 2.830 N/A ARG 90.A N MET 86.A O no hydrogen 3.036 N/A ARG 90.A NE ASP 91.A OD1 no hydrogen 3.348 N/A ARG 90.A NH1 ASP 91.A OD1 no hydrogen 3.011 N/A ASP 91.A N ARG 87.A O no hydrogen 2.769 N/A LEU 92.A N GLU 88.A O no hydrogen 2.913 N/A HIS 94.A N ARG 90.A O no hydrogen 3.137 N/A ASN 95.A N ASP 91.A O no hydrogen 2.523 N/A ASN 95.A ND2 ALA 39.A O no hydrogen 2.711 N/A MET 96.A N LEU 92.A O no hydrogen 3.091 N/A ILE 97.A N VAL 93.A O no hydrogen 3.019 N/A ASN 98.A N HIS 94.A O no hydrogen 2.915 N/A ASN 98.A ND2 HIS 94.A O no hydrogen 2.940 N/A CYS 99.A N MET 96.A O no hydrogen 3.271 N/A CYS 99.A SG TRP 42.A O no hydrogen 3.827 N/A CYS 99.A SG THR 101.A O no hydrogen 3.893 N/A ASP 100.A N ASP 46.A OD2 no hydrogen 3.218 N/A THR 101.A N ASP 46.A OD1 no hydrogen 3.047 N/A THR 101.A OG1 ASP 46.A OD1 no hydrogen 2.834 N/A VAL 103.A N ASP 123.A OD2 no hydrogen 2.929 N/A VAL 104.A N VAL 54.A O no hydrogen 2.853 N/A SER 105.A N ILE 124.A O no hydrogen 2.861 N/A SER 105.A OG ALA 119.A O no hydrogen 2.783 N/A ALA 106.A N VAL 56.A O no hydrogen 2.934 N/A ILE 107.A N VAL 126.A O no hydrogen 2.706 N/A ALA 111.A N LYS 132.A O no hydrogen 3.016 N/A VAL 112.A N SER 64.A O no hydrogen 2.830 N/A GLY 113.A N ILE 134.A O no hydrogen 3.157 N/A GLY 115.A N VAL 112.A O no hydrogen 2.770 N/A LEU 116.A N VAL 112.A O no hydrogen 3.248 N/A VAL 117.A N GLY 113.A O no hydrogen 3.103 N/A ALA 119.A N GLY 115.A O no hydrogen 3.211 N/A LEU 120.A N LEU 116.A O no hydrogen 2.893 N/A LEU 121.A N VAL 117.A O no hydrogen 2.997 N/A ALA 122.A N VAL 118.A O no hydrogen 3.254 N/A ILE 124.A N VAL 103.A O no hydrogen 3.122 N/A VAL 126.A N SER 105.A O no hydrogen 3.051 N/A ALA 127.A N LEU 184.A O no hydrogen 2.856 N/A GLY 128.A N ILE 107.A O no hydrogen 3.004 N/A ARG 129.A NE ASP 187.A OD1 no hydrogen 2.782 N/A ARG 129.A NH1 GLU 174.A OE1 no hydrogen 2.756 N/A THR 130.A N ASP 188.A OD1 no hydrogen 3.374 N/A THR 130.A OG1 ASP 188.A OD1 no hydrogen 2.913 N/A THR 130.A OG1 ASP 188.A OD2 no hydrogen 2.610 N/A ALA 131.A N GLY 128.A O no hydrogen 2.953 N/A LYS 132.A N GLY 109.A O no hydrogen 3.071 N/A LEU 133.A N LEU 171.A O no hydrogen 2.735 N/A ILE 134.A N ALA 111.A O no hydrogen 3.180 N/A HIS 137.A N ASP 135.A OD2 no hydrogen 3.226 N/A HIS 137.A ND1 ASP 135.A OD2 no hydrogen 2.630 N/A THR 138.A OG1 LEU 165.A O no hydrogen 3.326 N/A THR 138.A OG1 LEU 166.A O no hydrogen 2.811 N/A LEU 140.A N GLY 136.A O no hydrogen 3.163 N/A GLY 141.A N THR 138.A O no hydrogen 2.824 N/A VAL 142.A N HIS 137.A O no hydrogen 2.815 N/A GLY 145.A N GLU 235.A OE1 no hydrogen 2.983 N/A HIS 147.A ND1 ASP 146.A OD1 no hydrogen 2.917 N/A ILE 150.A N HIS 147.A O no hydrogen 3.003 N/A CYS 151.A N ALA 148.A O no hydrogen 3.246 N/A CYS 151.A SG HIS 147.A O no hydrogen 3.457 N/A TRP 152.A N ALA 148.A O no hydrogen 2.974 N/A TRP 152.A NE1 HIS 147.A NE2 no hydrogen 2.909 N/A LEU 154.A N CYS 151.A O no hydrogen 2.888 N/A LEU 155.A N TRP 152.A O no hydrogen 2.848 N/A VAL 156.A N TRP 152.A O no hydrogen 2.838 N/A GLY 157.A N PRO 153.A O no hydrogen 2.990 N/A ALA 161.A N GLY 157.A O no hydrogen 2.979 N/A LYS 162.A N MET 158.A O no hydrogen 2.793 N/A TYR 163.A N ALA 159.A O no hydrogen 3.035 N/A TYR 164.A N LYS 160.A O no hydrogen 3.165 N/A LEU 165.A N ALA 161.A O no hydrogen 3.095 N/A LEU 166.A N LYS 162.A O no hydrogen 2.953 N/A THR 167.A N TYR 163.A O no hydrogen 3.198 N/A THR 167.A OG1 TYR 163.A O no hydrogen 2.875 N/A CYS 168.A N TYR 164.A O no hydrogen 2.937 N/A CYS 168.A SG THR 138.A OG1 no hydrogen 3.225 N/A GLU 169.A N THR 167.A OG1 no hydrogen 2.941 N/A LEU 171.A N LEU 133.A O no hydrogen 3.402 N/A GLY 173.A N ALA 131.A O no hydrogen 3.006 N/A ALA 176.A N LEU 172.A O no hydrogen 2.711 N/A GLU 177.A N GLY 173.A O no hydrogen 2.934 N/A ARG 178.A N GLU 174.A O no hydrogen 3.233 N/A ARG 178.A NE GLU 175.A OE1 no hydrogen 3.380 N/A ARG 178.A NE GLU 175.A OE2 no hydrogen 3.334 N/A ARG 178.A NH2 GLU 175.A OE2 no hydrogen 2.764 N/A ILE 179.A N GLU 175.A O no hydrogen 3.074 N/A GLY 180.A N ALA 176.A O no hydrogen 3.155 N/A GLY 180.A N GLU 177.A O no hydrogen 3.222 N/A LEU 181.A N ALA 176.A O no hydrogen 2.852 N/A SER 183.A N SER 125.A OG no hydrogen 3.011 N/A LEU 184.A N SER 125.A O no hydrogen 2.975 N/A CYS 185.A SG ALA 127.A O no hydrogen 3.629 N/A VAL 186.A N ALA 127.A O no hydrogen 3.008 N/A ASP 190.A N ASP 187.A O no hydrogen 2.926 N/A VAL 191.A N ASP 188.A O no hydrogen 3.255 N/A SER 193.A OG ASP 190.A O no hydrogen 3.410 N/A THR 194.A N ASP 190.A O no hydrogen 2.865 N/A THR 194.A OG1 ASP 190.A O no hydrogen 2.642 N/A ALA 195.A N VAL 191.A O no hydrogen 2.899 N/A ALA 196.A N LEU 192.A O no hydrogen 2.866 N/A GLY 197.A N SER 193.A O no hydrogen 3.102 N/A ILE 198.A N THR 194.A O no hydrogen 3.076 N/A ALA 199.A N ALA 195.A O no hydrogen 2.843 N/A GLY 200.A N ALA 196.A O no hydrogen 2.753 N/A LYS 201.A N GLY 197.A O no hydrogen 2.908 N/A LEU 202.A N ILE 198.A O no hydrogen 3.004 N/A ALA 203.A N ALA 199.A O no hydrogen 2.860 N/A GLN 204.A N GLY 200.A O no hydrogen 3.205 N/A GLN 204.A N LYS 201.A O no hydrogen 3.236 N/A GLY 205.A N LEU 202.A O no hydrogen 3.010 N/A ILE 210.A N ALA 206.A O no hydrogen 2.981 N/A GLN 211.A N GLN 207.A O no hydrogen 2.919 N/A TRP 212.A N HIS 208.A O no hydrogen 2.861 N/A THR 213.A N ALA 209.A O no hydrogen 3.078 N/A THR 213.A OG1 ALA 209.A O no hydrogen 2.451 N/A LYS 214.A N ILE 210.A O no hydrogen 2.959 N/A LYS 214.A NZ CYS 99.A O no hydrogen 2.786 N/A LYS 214.A NZ THR 101.A O no hydrogen 2.842 N/A LYS 214.A NZ ASP 123.A OD2 no hydrogen 2.586 N/A ARG 215.A N GLN 211.A O no hydrogen 2.798 N/A ARG 215.A NH1 ASP 100.A OD1 no hydrogen 2.992 N/A ARG 215.A NH1 ASP 100.A OD2 no hydrogen 3.401 N/A SER 216.A N TRP 212.A O no hydrogen 3.025 N/A SER 216.A OG TRP 212.A O no hydrogen 2.754 N/A LEU 217.A N THR 213.A O no hydrogen 3.027 N/A ASN 218.A N LYS 214.A O no hydrogen 2.795 N/A ASN 218.A ND2 ILE 97.A O no hydrogen 2.700 N/A HIS 219.A N SER 216.A O no hydrogen 3.353 N/A TRP 220.A N LEU 217.A O no hydrogen 3.082 N/A TYR 221.A N ASN 218.A O no hydrogen 2.913 N/A ARG 222.A N ASN 218.A O no hydrogen 3.013 N/A ARG 222.A NE ASN 98.A OD1 no hydrogen 3.185 N/A ARG 222.A NH1 ARG 215.A O no hydrogen 2.939 N/A ARG 222.A NH1 HIS 219.A ND1 no hydrogen 3.049 N/A MET 223.A N HIS 219.A O no hydrogen 2.876 N/A MET 224.A N TYR 221.A O no hydrogen 2.930 N/A GLY 225.A N ARG 222.A O no hydrogen 2.866 N/A PHE 228.A N MET 224.A O no hydrogen 2.890 N/A GLU 229.A N GLY 225.A O no hydrogen 2.792 N/A THR 230.A N PRO 226.A O no hydrogen 2.832 N/A THR 230.A OG1 PRO 226.A O no hydrogen 3.045 N/A SER 231.A N THR 227.A O no hydrogen 3.140 N/A SER 231.A OG PHE 228.A O no hydrogen 2.701 N/A VAL 232.A N PHE 228.A O no hydrogen 2.963 N/A GLY 233.A N GLU 229.A O no hydrogen 3.123 N/A LEU 234.A N THR 230.A O no hydrogen 3.085 N/A GLU 235.A N SER 231.A O no hydrogen 3.013 N/A PHE 236.A N VAL 232.A O no hydrogen 2.986 N/A LEU 237.A N GLY 233.A O no hydrogen 2.862 N/A SER 238.A N LEU 234.A O no hydrogen 3.141 N/A SER 238.A OG LEU 234.A O no hydrogen 3.430 N/A SER 238.A OG GLU 235.A O no hydrogen 2.505 N/A PHE 239.A N GLU 235.A O no hydrogen 3.159 N/A SER 240.A N LEU 237.A O no hydrogen 2.903 N/A GLY 241.A N SER 238.A O no hydrogen 3.144 N/A GLN 245.A N PRO 242.A O no hydrogen 3.132 N/A GLY 247.A N ASP 243.A O no hydrogen 2.819 N/A LEU 248.A N VAL 244.A O no hydrogen 2.663 N/A ALA 249.A N GLN 245.A O no hydrogen 3.320 N/A ALA 250.A N GLU 246.A O no hydrogen 3.243 N/A ARG 252.A N GLU 246.A OE2 no hydrogen 3.502 N/A