Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qcd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TYR 252.A OH no hydrogen 2.946 N/A GLY 7.A N GLN 27.A OE1 no hydrogen 2.933 N/A ALA 8.A N SER 5.A OG no hydrogen 3.110 N/A ARG 9.A N SER 5.A O no hydrogen 2.890 N/A ARG 9.A NE PRO 188.A O no hydrogen 2.839 N/A ARG 9.A NH1 ASP 223.A OD1 no hydrogen 2.743 N/A ARG 9.A NH2 PRO 188.A O no hydrogen 3.188 N/A ARG 9.A NH2 ASP 223.A OD2 no hydrogen 3.041 N/A ALA 10.A N PHE 6.A O no hydrogen 3.029 N/A GLU 11.A N ALA 8.A O no hydrogen 2.996 N/A LEU 12.A N ARG 9.A O no hydrogen 3.089 N/A ILE 15.A N LEU 12.A O no hydrogen 3.028 N/A VAL 18.A N HIS 16.A ND1 no hydrogen 3.078 N/A SER 20.A N HIS 16.A O no hydrogen 2.804 N/A SER 20.A OG ALA 10.A O no hydrogen 2.720 N/A LYS 21.A N PRO 17.A O no hydrogen 2.914 N/A LEU 22.A N VAL 18.A O no hydrogen 3.133 N/A LEU 23.A N ALA 19.A O no hydrogen 2.889 N/A ARG 24.A N SER 20.A O no hydrogen 3.012 N/A ARG 24.A NE.B SER 20.A OG no hydrogen 3.126 N/A LEU 25.A N LYS 21.A O no hydrogen 3.169 N/A MET 26.A N LEU 22.A O no hydrogen 2.916 N/A GLN 27.A N LEU 23.A O no hydrogen 3.099 N/A LYS 28.A N ARG 24.A O no hydrogen 2.949 N/A LYS 28.A NZ GLU 84.A OE1 no hydrogen 2.716 N/A LYS 28.A NZ GLU 84.A OE2 no hydrogen 3.257 N/A LYS 29.A N LEU 25.A O no hydrogen 2.940 N/A LYS 29.A NZ GLY 53.A O no hydrogen 2.873 N/A LYS 29.A NZ ILE 56.A O no hydrogen 2.716 N/A LYS 29.A NZ HIS 83.A O no hydrogen 2.778 N/A LYS 29.A NZ GLU 84.A O no hydrogen 2.672 N/A THR 31.A N MET 26.A O no hydrogen 3.102 N/A THR 31.A OG1 SER 55.A O no hydrogen 2.585 N/A ASN 32.A ND2 ASP 223.A O no hydrogen 2.875 N/A ASN 32.A ND2 ALA 248.A O no hydrogen 3.166 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.226 N/A CYS 34.A N ILE 225.A O no hydrogen 2.757 N/A CYS 34.A SG LEU 35.A O no hydrogen 3.998 N/A CYS 34.A SG MET 58.A O no hydrogen 3.820 N/A LEU 35.A N MET 58.A O no hydrogen 2.934 N/A SER 36.A N VAL 227.A O no hydrogen 2.857 N/A SER 36.A OG ASP 38.A OD1 no hydrogen 3.423 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 2.776 N/A ALA 37.A N LYS 60.A O no hydrogen 2.945 N/A ASP 38.A N SER 36.A O no hydrogen 2.990 N/A VAL 39.A N ALA 37.A O no hydrogen 3.034 N/A LEU 41.A N GLU 44.A OE1 no hydrogen 3.362 N/A ALA 42.A N ASP 68.A OD1 no hydrogen 2.899 N/A ARG 43.A NH1 GLN 47.A OE1 no hydrogen 2.948 N/A LEU 45.A N LEU 41.A O no hydrogen 2.941 N/A LEU 46.A N ALA 42.A O no hydrogen 2.722 N/A GLN 47.A N ARG 43.A O no hydrogen 2.786 N/A LEU 48.A N GLU 44.A O no hydrogen 2.919 N/A ALA 49.A N LEU 45.A O no hydrogen 3.019 N/A ASP 50.A N LEU 46.A O no hydrogen 3.041 N/A ALA 51.A N GLN 47.A O no hydrogen 2.911 N/A LEU 52.A N LEU 48.A O no hydrogen 2.880 N/A SER 55.A N LEU 52.A O no hydrogen 2.861 N/A SER 55.A OG GLU 242.A OE2 no hydrogen 2.415 N/A ILE 56.A N GLY 53.A O no hydrogen 3.289 N/A CYS 57.A N LEU 33.A O no hydrogen 2.803 N/A CYS 57.A SG LEU 33.A O no hydrogen 3.465 N/A LEU 59.A N LEU 86.A O no hydrogen 2.873 N/A LYS 60.A N LEU 35.A O no hydrogen 2.759 N/A LYS 60.A NZ SER 36.A OG no hydrogen 3.260 N/A LYS 60.A NZ ASP 90.A OD2 no hydrogen 2.609 N/A THR 61.A N PHE 88.A O no hydrogen 2.725 N/A THR 61.A OG1 PHE 88.A O no hydrogen 3.393 N/A THR 61.A OG1 GLU 89.A OE1 no hydrogen 2.564 N/A VAL 63.A N GLU 89.A OE1 no hydrogen 2.876 N/A ILE 65.A N HIS 62.A O no hydrogen 2.995 N/A LEU 66.A N VAL 63.A O no hydrogen 3.166 N/A ASN 67.A N SER 40.A O no hydrogen 2.818 N/A PHE 69.A N LEU 66.A O no hydrogen 3.413 N/A VAL 73.A N THR 70.A OG1 no hydrogen 3.188 N/A LYS 75.A N LEU 71.A O no hydrogen 2.857 N/A LYS 75.A NZ ASP 72.A OD2.A no hydrogen 2.254 N/A GLU 76.A N ASP 72.A O no hydrogen 2.933 N/A LEU 77.A N VAL 73.A O no hydrogen 2.849 N/A ILE 78.A N MET 74.A O no hydrogen 2.915 N/A THR 79.A N LYS 75.A O no hydrogen 3.169 N/A THR 79.A OG1 LYS 75.A O no hydrogen 3.466 N/A LEU 80.A N GLU 76.A O no hydrogen 3.130 N/A ALA 81.A N LEU 77.A O no hydrogen 2.819 N/A LYS 82.A N ILE 78.A O no hydrogen 2.807 N/A HIS 83.A NE2 ASP 50.A OD1 no hydrogen 2.594 N/A PHE 85.A N ALA 81.A O no hydrogen 2.991 N/A LEU 86.A N CYS 57.A O no hydrogen 3.195 N/A ILE 87.A N ASP 116.A OD2 no hydrogen 2.751 N/A PHE 88.A N LEU 59.A O no hydrogen 2.913 N/A GLU 89.A N LEU 117.A O no hydrogen 3.025 N/A ASP 90.A N THR 61.A O no hydrogen 2.956 N/A ARG 91.A NH1 ARG 91.A O no hydrogen 2.844 N/A LYS 92.A N ASN 119.A OD1 no hydrogen 2.885 N/A LYS 92.A NZ ASP 90.A OD1 no hydrogen 2.809 N/A PHE 93.A N ASN 119.A O no hydrogen 3.068 N/A ILE 96.A N ASP 95.A OD1 no hydrogen 2.943 N/A THR 99.A N ILE 96.A O no hydrogen 3.006 N/A VAL 100.A N ILE 96.A O no hydrogen 3.078 N/A LYS 101.A N GLY 97.A O no hydrogen 3.409 N/A LYS 101.A NZ ASN 98.A O no hydrogen 3.345 N/A GLN 103.A N THR 99.A O no hydrogen 3.134 N/A TYR 104.A N VAL 100.A O no hydrogen 2.981 N/A GLU 105.A N LYS 101.A O no hydrogen 3.018 N/A GLY 106.A N LYS 102.A O no hydrogen 2.768 N/A LYS 110.A N GLY 106.A O no hydrogen 3.209 N/A LYS 110.A NZ GLU 105.A O no hydrogen 2.948 N/A ALA 112.A N TYR 104.A O no hydrogen 2.932 N/A SER 113.A N LYS 110.A O no hydrogen 2.856 N/A SER 113.A OG.A LYS 110.A O no hydrogen 2.661 N/A TRP 114.A N ILE 111.A O no hydrogen 3.047 N/A TRP 114.A NE1 PHE 109.A O no hydrogen 2.808 N/A ALA 115.A N ILE 111.A O no hydrogen 3.003 N/A LEU 117.A N ILE 87.A O no hydrogen 3.015 N/A VAL 118.A N GLY 142.A O no hydrogen 3.267 N/A ASN 119.A ND2 ASP 90.A OD1 no hydrogen 2.733 N/A ALA 120.A N LEU 144.A O no hydrogen 2.915 N/A HIS 121.A N PHE 93.A O no hydrogen 2.755 N/A GLY 125.A N VAL 122.A O no hydrogen 2.924 N/A VAL 128.A N GLY 125.A O no hydrogen 3.096 N/A LYS 130.A N SER 126.A O no hydrogen 2.992 N/A LYS 130.A NZ HIS 171.A NE2 no hydrogen 2.993 N/A GLY 131.A N GLY 127.A O no hydrogen 3.047 N/A LEU 132.A N VAL 128.A O no hydrogen 3.226 N/A GLN 133.A N VAL 129.A O no hydrogen 2.841 N/A GLU 134.A N LYS 130.A O no hydrogen 3.431 N/A GLU 134.A N GLY 131.A O no hydrogen 3.229 N/A VAL 135.A N LEU 132.A O no hydrogen 2.900 N/A GLY 136.A N LEU 132.A O no hydrogen 2.779 N/A LEU 137.A N GLN 133.A O no hydrogen 3.062 N/A HIS 140.A N LEU 137.A O no hydrogen 2.941 N/A ARG 141.A N GLY 136.A O no hydrogen 2.980 N/A ARG 141.A NE ALA 112.A O no hydrogen 2.852 N/A ARG 141.A NH2 ALA 112.A O no hydrogen 2.890 N/A GLY 142.A N ASP 116.A O no hydrogen 3.040 N/A CYS 143.A N PHE 174.A O no hydrogen 2.959 N/A CYS 143.A SG VAL 118.A O no hydrogen 3.860 N/A CYS 143.A SG LEU 144.A O no hydrogen 3.727 N/A LEU 144.A N VAL 118.A O no hydrogen 2.814 N/A LEU 145.A N GLY 177.A O no hydrogen 2.880 N/A ILE 146.A N ALA 120.A O no hydrogen 2.998 N/A ALA 147.A N ILE 179.A O no hydrogen 2.947 N/A GLU 148.A N ILE 179.A O no hydrogen 3.405 N/A SER 150.A OG GLN 208.A OE1 no hydrogen 2.601 N/A THR 152.A N GLY 207.A O no hydrogen 2.753 N/A SER 154.A N SER 151.A O no hydrogen 3.108 N/A ALA 156.A N SER 154.A OG no hydrogen 3.139 N/A THR 157.A N LEU 155.A O no hydrogen 2.806 N/A TYR 160.A N THR 157.A O no hydrogen 2.890 N/A THR 161.A N THR 157.A O no hydrogen 3.478 N/A THR 161.A OG1 ALA 147.A O no hydrogen 2.817 N/A ARG 162.A N GLY 158.A O no hydrogen 3.025 N/A ARG 162.A NE ASP 159.A OD1 no hydrogen 3.081 N/A ARG 162.A NH2 ASP 159.A OD1 no hydrogen 2.735 N/A ALA 163.A N ASP 159.A O no hydrogen 2.885 N/A ALA 164.A N TYR 160.A O no hydrogen 3.062 N/A VAL 165.A N THR 161.A O no hydrogen 3.107 N/A ARG 166.A N ARG 162.A O no hydrogen 2.945 N/A MET 167.A N ALA 163.A O no hydrogen 2.922 N/A ALA 168.A N ALA 164.A O no hydrogen 3.010 N/A GLU 169.A N VAL 165.A O no hydrogen 3.005 N/A GLU 170.A N ARG 166.A O no hydrogen 3.000 N/A HIS 171.A N ALA 168.A O no hydrogen 3.214 N/A HIS 171.A ND1 MET 167.A O no hydrogen 2.886 N/A PHE 174.A N HIS 171.A O no hydrogen 3.048 N/A VAL 175.A N HIS 171.A O no hydrogen 2.822 N/A VAL 176.A N CYS 143.A O no hydrogen 2.828 N/A PHE 178.A N LEU 191.A O no hydrogen 2.901 N/A ILE 179.A N LEU 145.A O no hydrogen 2.954 N/A SER 180.A N LEU 193.A O no hydrogen 2.970 N/A SER 180.A OG SER 182.A O no hydrogen 2.701 N/A GLY 181.A N GLU 148.A OE1 no hydrogen 2.788 N/A SER 182.A OG GLU 148.A OE1 no hydrogen 3.407 N/A ARG 183.A N ARG 220.A O no hydrogen 2.938 N/A ARG 183.A NE GLY 221.A O no hydrogen 3.285 N/A ARG 183.A NH1 GLU 3.A OE1 no hydrogen 3.497 N/A ARG 183.A NH2 GLU 3.A OE1 no hydrogen 3.152 N/A ARG 183.A NH2 GLY 221.A O no hydrogen 3.271 N/A VAL 184.A N HIS 192.A NE2 no hydrogen 3.055 N/A SER 185.A N HIS 192.A NE2 no hydrogen 3.393 N/A LYS 187.A N SER 185.A OG no hydrogen 2.992 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.783 N/A PHE 190.A N LYS 187.A O no hydrogen 3.184 N/A LEU 191.A N VAL 176.A O no hydrogen 2.899 N/A HIS 192.A N ASP 223.A OD2 no hydrogen 2.894 N/A LEU 193.A N PHE 178.A O no hydrogen 2.910 N/A THR 194.A N ILE 224.A O no hydrogen 2.851 N/A THR 194.A OG1 SER 180.A O no hydrogen 2.713 N/A THR 194.A OG1 SER 222.A OG no hydrogen 2.722 N/A GLN 198.A N ASN 211.A O no hydrogen 3.041 N/A LEU 199.A N TYR 244.A OH no hydrogen 3.054 N/A ASP 204.A N GLN 208.A O no hydrogen 3.145 N/A LEU 206.A N ASP 204.A OD1 no hydrogen 2.917 N/A GLN 208.A N ASP 204.A OD1 no hydrogen 2.951 N/A GLN 209.A N GLN 208.A OE1 no hydrogen 3.035 N/A GLN 209.A NE2 SER 150.A O no hydrogen 2.874 N/A TYR 210.A N GLY 202.A O no hydrogen 2.875 N/A ASN 211.A N GLY 196.A O no hydrogen 2.937 N/A GLU 215.A N SER 212.A OG no hydrogen 3.194 N/A VAL 216.A N SER 212.A O no hydrogen 2.973 N/A ILE 217.A N PRO 213.A O no hydrogen 2.816 N/A LYS 219.A N GLN 214.A O no hydrogen 3.030 N/A ARG 220.A N GLU 215.A O no hydrogen 2.775 N/A ARG 220.A NE GLU 215.A OE2 no hydrogen 2.667 N/A GLY 221.A N ILE 217.A O no hydrogen 3.235 N/A SER 222.A N VAL 216.A O no hydrogen 3.021 N/A SER 222.A OG HIS 192.A O no hydrogen 2.924 N/A SER 222.A OG THR 194.A OG1 no hydrogen 2.722 N/A ASP 223.A N HIS 192.A O no hydrogen 2.949 N/A ILE 224.A N HIS 192.A O no hydrogen 3.023 N/A ILE 225.A N ASN 32.A O no hydrogen 3.076 N/A ILE 226.A N THR 194.A O no hydrogen 2.828 N/A VAL 227.A N CYS 34.A O no hydrogen 3.079 N/A ARG 229.A NH1 ASP 204.A OD2 no hydrogen 2.747 N/A ARG 229.A NH2 ASP 204.A OD2 no hydrogen 2.911 N/A ILE 231.A N GLY 228.A O no hydrogen 2.989 N/A ILE 232.A N GLY 228.A O no hydrogen 2.818 N/A SER 233.A N ARG 229.A O no hydrogen 2.996 N/A SER 233.A OG ARG 229.A O no hydrogen 3.520 N/A ALA 234.A N ILE 231.A O no hydrogen 3.015 N/A ARG 237.A NE.A ILE 232.A O no hydrogen 2.822 N/A ARG 237.A NH1.B ILE 232.A O no hydrogen 2.713 N/A ARG 237.A NH2.A ILE 232.A O no hydrogen 3.271 N/A GLU 239.A N ASP 236.A OD1 no hydrogen 3.069 N/A ALA 240.A N ASP 236.A O no hydrogen 2.963 N/A ALA 241.A N ARG 237.A O no hydrogen 2.886 N/A GLU 242.A N LEU 238.A O no hydrogen 3.086 N/A MET 243.A N GLU 239.A O no hydrogen 2.895 N/A TYR 244.A N ALA 240.A O no hydrogen 3.007 N/A ARG 245.A N ALA 241.A O no hydrogen 2.869 N/A ARG 245.A NE GLU 242.A OE1 no hydrogen 3.336 N/A ARG 245.A NE GLU 242.A OE2 no hydrogen 2.982 N/A ARG 245.A NH1 GLU 30.A O no hydrogen 2.816 N/A ARG 245.A NH2 GLU 242.A OE1 no hydrogen 2.985 N/A LYS 246.A N GLU 242.A O no hydrogen 2.876 N/A ALA 247.A N MET 243.A O no hydrogen 2.999 N/A ALA 248.A N TYR 244.A O no hydrogen 2.899 N/A TRP 249.A N ARG 245.A O no hydrogen 2.827 N/A GLU 250.A N LYS 246.A O no hydrogen 3.047 N/A ALA 251.A N ALA 247.A O no hydrogen 3.113 N/A TYR 252.A N ALA 248.A O no hydrogen 3.020 N/A LEU 253.A N TRP 249.A O no hydrogen 2.890 N/A SER 254.A N GLU 250.A O no hydrogen 2.969 N/A SER 254.A OG GLU 250.A O no hydrogen 2.989 N/A ARG 255.A N ALA 251.A O no hydrogen 3.269 N/A ARG 255.A NH1 ILE 217.A O no hydrogen 3.065 N/A ARG 255.A NH1 SER 222.A O no hydrogen 2.659 N/A ARG 255.A NH2 GLU 3.A OE2 no hydrogen 3.524 N/A ARG 255.A NH2 ASP 223.A OD1 no hydrogen 3.147 N/A LEU 256.A N TYR 252.A O no hydrogen 3.082 N/A LEU 256.A N LEU 253.A O no hydrogen 3.067 N/A GLY 257.A N LEU 253.A O no hydrogen 3.061 N/A GLY 257.A N SER 254.A O no hydrogen 3.009 N/A