Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qcl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N TYR 251.A OH no hydrogen 2.920 N/A ALA 6.A N SER 3.A OG no hydrogen 3.102 N/A ARG 7.A N SER 3.A O no hydrogen 2.959 N/A ARG 7.A NE PRO 187.A O no hydrogen 2.922 N/A ARG 7.A NH1 ASP 222.A OD1 no hydrogen 2.954 N/A ARG 7.A NH2 PRO 187.A O no hydrogen 3.244 N/A ARG 7.A NH2 ASP 222.A OD2 no hydrogen 3.146 N/A ALA 8.A N PHE 4.A O no hydrogen 2.991 N/A GLU 9.A N ALA 6.A O no hydrogen 2.836 N/A LEU 10.A N ARG 7.A O no hydrogen 3.148 N/A ILE 13.A N LEU 10.A O no hydrogen 3.007 N/A VAL 16.A N HIS 14.A ND1 no hydrogen 3.064 N/A SER 18.A N HIS 14.A O no hydrogen 2.899 N/A SER 18.A OG ALA 8.A O no hydrogen 2.714 N/A LYS 19.A N PRO 15.A O no hydrogen 2.944 N/A LEU 20.A N VAL 16.A O no hydrogen 3.075 N/A LEU 21.A N ALA 17.A O no hydrogen 2.805 N/A ARG 22.A N SER 18.A O no hydrogen 2.885 N/A LEU 23.A N LYS 19.A O no hydrogen 3.174 N/A MET 24.A N LEU 20.A O no hydrogen 2.963 N/A GLN 25.A N LEU 21.A O no hydrogen 3.097 N/A GLN 25.A NE2.A SER 3.A OG no hydrogen 3.069 N/A LYS 26.A N ARG 22.A O no hydrogen 3.000 N/A LYS 26.A NZ GLU 83.A OE1 no hydrogen 2.573 N/A LYS 26.A NZ GLU 83.A OE2 no hydrogen 3.509 N/A LYS 27.A N LEU 23.A O no hydrogen 2.969 N/A LYS 27.A NZ GLY 51.A O no hydrogen 2.887 N/A LYS 27.A NZ ILE 54.A O no hydrogen 2.741 N/A LYS 27.A NZ HIS 82.A O no hydrogen 2.684 N/A LYS 27.A NZ GLU 83.A O no hydrogen 2.692 N/A THR 29.A N MET 24.A O no hydrogen 3.199 N/A THR 29.A OG1 SER 53.A O no hydrogen 2.662 N/A ASN 30.A ND2 ASP 222.A O no hydrogen 2.831 N/A ASN 30.A ND2 ALA 247.A O no hydrogen 3.166 N/A LEU 31.A N THR 29.A OG1 no hydrogen 3.101 N/A CYS 32.A N ILE 224.A O no hydrogen 2.855 N/A CYS 32.A SG LEU 33.A O no hydrogen 3.940 N/A LEU 33.A N MET 56.A O no hydrogen 3.119 N/A SER 34.A N VAL 226.A O no hydrogen 2.859 N/A SER 34.A OG HIS 60.A NE2 no hydrogen 2.769 N/A ALA 35.A N LYS 58.A O no hydrogen 2.956 N/A LEU 39.A N GLU 42.A OE1 no hydrogen 3.401 N/A ALA 40.A N ASP 66.A OD1 no hydrogen 2.866 N/A LEU 43.A N LEU 39.A O no hydrogen 3.009 N/A LEU 44.A N ALA 40.A O no hydrogen 2.870 N/A GLN 45.A N ARG 41.A O no hydrogen 2.927 N/A GLN 45.A NE2 ARG 41.A O no hydrogen 3.291 N/A LEU 46.A N GLU 42.A O no hydrogen 2.900 N/A ALA 47.A N LEU 43.A O no hydrogen 3.018 N/A ASP 48.A N LEU 44.A O no hydrogen 3.024 N/A ALA 49.A N GLN 45.A O no hydrogen 2.970 N/A LEU 50.A N LEU 46.A O no hydrogen 2.869 N/A SER 53.A N LEU 50.A O no hydrogen 2.815 N/A SER 53.A OG GLU 241.A OE2 no hydrogen 2.738 N/A ILE 54.A N GLY 51.A O no hydrogen 3.301 N/A CYS 55.A N LEU 31.A O no hydrogen 2.834 N/A CYS 55.A SG LEU 31.A O no hydrogen 3.523 N/A LEU 57.A N LEU 85.A O no hydrogen 2.892 N/A LYS 58.A N LEU 33.A O no hydrogen 2.644 N/A LYS 58.A NZ.A ASN 89.A OD1 no hydrogen 2.974 N/A LYS 58.A NZ.B ASN 89.A OD1 no hydrogen 2.850 N/A THR 59.A N PHE 87.A O no hydrogen 2.966 N/A THR 59.A OG1 GLU 88.A OE1 no hydrogen 2.713 N/A HIS 60.A NE2 SER 34.A OG no hydrogen 2.769 N/A VAL 61.A N GLU 88.A OE1 no hydrogen 3.105 N/A ILE 63.A N HIS 60.A O no hydrogen 3.002 N/A LEU 64.A N VAL 61.A O no hydrogen 3.163 N/A ASN 65.A N SER 38.A O no hydrogen 2.738 N/A VAL 71.A N THR 68.A OG1 no hydrogen 3.123 N/A MET 72.A N THR 68.A O no hydrogen 3.366 N/A LYS 73.A N LEU 69.A O no hydrogen 2.922 N/A GLU 74.A N ASP 70.A O no hydrogen 2.944 N/A LEU 75.A N VAL 71.A O no hydrogen 2.764 N/A ILE 76.A N MET 72.A O no hydrogen 2.909 N/A THR 77.A N LYS 73.A O no hydrogen 3.213 N/A THR 77.A OG1.A LYS 73.A O no hydrogen 3.362 N/A THR 77.A OG1.B GLU 74.A O no hydrogen 2.374 N/A LEU 78.A N GLU 74.A O no hydrogen 3.138 N/A ALA 79.A N LEU 75.A O no hydrogen 2.837 N/A LYS 80.A N ILE 76.A O no hydrogen 2.778 N/A CYS 81.A N THR 77.A O no hydrogen 2.825 N/A HIS 82.A N LEU 78.A O no hydrogen 2.892 N/A HIS 82.A NE2 ASP 48.A OD1 no hydrogen 2.805 N/A PHE 84.A N ALA 79.A O no hydrogen 3.029 N/A LEU 85.A N CYS 55.A O no hydrogen 3.053 N/A ILE 86.A N ASP 115.A OD2 no hydrogen 2.879 N/A PHE 87.A N LEU 57.A O no hydrogen 2.958 N/A GLU 88.A N LEU 116.A O no hydrogen 3.064 N/A ASN 89.A N THR 59.A O no hydrogen 2.892 N/A ARG 90.A N GLU 88.A OE2 no hydrogen 2.902 N/A ARG 90.A NE ASP 62.A OD1 no hydrogen 2.751 N/A ARG 90.A NE ASP 62.A OD2 no hydrogen 3.406 N/A ARG 90.A NH1 ASP 62.A OD2 no hydrogen 2.883 N/A LYS 91.A NZ ASN 89.A O no hydrogen 3.158 N/A LYS 91.A NZ ASN 118.A OD1 no hydrogen 3.465 N/A PHE 92.A N ASN 118.A O no hydrogen 3.226 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 3.117 N/A THR 98.A N ILE 95.A O no hydrogen 3.079 N/A VAL 99.A N ILE 95.A O no hydrogen 3.073 N/A LYS 100.A N GLY 96.A O no hydrogen 3.369 N/A LYS 100.A NZ GLY 130.A O no hydrogen 3.316 N/A GLN 102.A N THR 98.A O no hydrogen 3.153 N/A GLN 102.A NE2 ASP 94.A OD2 no hydrogen 3.213 N/A TYR 103.A N VAL 99.A O no hydrogen 2.931 N/A GLU 104.A N LYS 100.A O no hydrogen 3.151 N/A GLY 105.A N LYS 101.A O no hydrogen 2.770 N/A LYS 109.A N GLY 105.A O no hydrogen 3.062 N/A LYS 109.A NZ GLU 104.A O no hydrogen 2.926 N/A ALA 111.A N TYR 103.A O no hydrogen 2.974 N/A SER 112.A N LYS 109.A O no hydrogen 2.942 N/A SER 112.A OG.A LYS 109.A O no hydrogen 2.677 N/A TRP 113.A N ILE 110.A O no hydrogen 3.126 N/A TRP 113.A NE1 PHE 108.A O no hydrogen 2.780 N/A ALA 114.A N ILE 110.A O no hydrogen 2.940 N/A LEU 116.A N ILE 86.A O no hydrogen 3.043 N/A VAL 117.A N GLY 141.A O no hydrogen 3.194 N/A ASN 118.A ND2 ASN 89.A O no hydrogen 2.980 N/A ALA 119.A N LEU 143.A O no hydrogen 2.904 N/A HIS 120.A N PHE 92.A O no hydrogen 2.895 N/A GLY 124.A N VAL 121.A O no hydrogen 2.897 N/A VAL 127.A N GLY 124.A O no hydrogen 3.098 N/A VAL 128.A N SER 125.A O no hydrogen 3.013 N/A LYS 129.A N SER 125.A O no hydrogen 3.070 N/A LYS 129.A NZ HIS 170.A NE2 no hydrogen 2.842 N/A GLY 130.A N GLY 126.A O no hydrogen 2.995 N/A LEU 131.A N VAL 127.A O no hydrogen 3.207 N/A GLN 132.A N VAL 128.A O no hydrogen 2.858 N/A GLU 133.A N LYS 129.A O no hydrogen 3.379 N/A GLU 133.A N GLY 130.A O no hydrogen 3.223 N/A VAL 134.A N LEU 131.A O no hydrogen 2.979 N/A GLY 135.A N LEU 131.A O no hydrogen 2.738 N/A LEU 136.A N GLN 132.A O no hydrogen 2.861 N/A HIS 139.A N LEU 136.A O no hydrogen 2.930 N/A ARG 140.A N GLY 135.A O no hydrogen 2.937 N/A ARG 140.A NE ALA 111.A O no hydrogen 2.729 N/A ARG 140.A NH2 ALA 111.A O no hydrogen 2.856 N/A GLY 141.A N ASP 115.A O no hydrogen 2.979 N/A CYS 142.A N PHE 173.A O no hydrogen 2.972 N/A CYS 142.A SG VAL 117.A O no hydrogen 3.906 N/A CYS 142.A SG LEU 143.A O no hydrogen 3.718 N/A LEU 143.A N VAL 117.A O no hydrogen 2.732 N/A LEU 144.A N GLY 176.A O no hydrogen 2.945 N/A ILE 145.A N ALA 119.A O no hydrogen 2.909 N/A ALA 146.A N ILE 178.A O no hydrogen 2.825 N/A GLU 147.A N ILE 178.A O no hydrogen 3.315 N/A SER 149.A OG GLN 207.A OE1 no hydrogen 2.633 N/A THR 151.A N GLY 206.A O no hydrogen 2.806 N/A THR 151.A OG1 GLY 206.A O no hydrogen 3.347 N/A SER 153.A N SER 150.A O no hydrogen 3.228 N/A ALA 155.A N SER 153.A OG no hydrogen 3.015 N/A TYR 159.A N THR 156.A O no hydrogen 3.092 N/A THR 160.A OG1 ALA 146.A O no hydrogen 2.835 N/A ARG 161.A N GLY 157.A O no hydrogen 3.131 N/A ARG 161.A NE ASP 158.A OD1 no hydrogen 3.431 N/A ARG 161.A NH2 ASP 158.A OD1 no hydrogen 2.895 N/A ALA 162.A N ASP 158.A O no hydrogen 2.871 N/A ALA 163.A N TYR 159.A O no hydrogen 3.019 N/A VAL 164.A N THR 160.A O no hydrogen 3.003 N/A ARG 165.A N ARG 161.A O no hydrogen 2.967 N/A MET 166.A N ALA 162.A O no hydrogen 3.008 N/A ALA 167.A N ALA 163.A O no hydrogen 3.045 N/A GLU 168.A N VAL 164.A O no hydrogen 2.999 N/A GLU 169.A N ARG 165.A O no hydrogen 3.005 N/A HIS 170.A N ALA 167.A O no hydrogen 3.064 N/A HIS 170.A ND1 MET 166.A O no hydrogen 2.976 N/A PHE 173.A N HIS 170.A O no hydrogen 3.154 N/A VAL 174.A N HIS 170.A O no hydrogen 2.827 N/A VAL 175.A N CYS 142.A O no hydrogen 2.976 N/A PHE 177.A N LEU 190.A O no hydrogen 2.863 N/A ILE 178.A N LEU 144.A O no hydrogen 2.869 N/A SER 179.A N LEU 192.A O no hydrogen 3.019 N/A SER 179.A OG SER 181.A O no hydrogen 2.664 N/A GLY 180.A N GLU 147.A OE1 no hydrogen 2.904 N/A SER 181.A OG GLU 147.A OE1 no hydrogen 3.416 N/A SER 181.A OG ARG 182.A O no hydrogen 3.517 N/A ARG 182.A N ARG 219.A O no hydrogen 2.910 N/A ARG 182.A NE GLY 220.A O no hydrogen 3.132 N/A ARG 182.A NH1 GLU 1.A OE1 no hydrogen 3.532 N/A ARG 182.A NH2 GLU 1.A OE1 no hydrogen 3.046 N/A ARG 182.A NH2 GLY 220.A O no hydrogen 3.258 N/A VAL 183.A N HIS 191.A NE2 no hydrogen 3.096 N/A SER 184.A N HIS 191.A NE2 no hydrogen 3.249 N/A SER 184.A OG GLU 168.A OE2 no hydrogen 2.784 N/A LYS 186.A N SER 184.A OG no hydrogen 3.092 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.847 N/A PHE 189.A N LYS 186.A O no hydrogen 3.209 N/A LEU 190.A N VAL 175.A O no hydrogen 2.845 N/A HIS 191.A N ASP 222.A OD2 no hydrogen 2.752 N/A LEU 192.A N PHE 177.A O no hydrogen 2.921 N/A THR 193.A N ILE 223.A O no hydrogen 2.835 N/A THR 193.A OG1 SER 179.A O no hydrogen 2.804 N/A THR 193.A OG1 SER 221.A OG no hydrogen 2.596 N/A GLN 197.A N ASN 210.A O no hydrogen 3.137 N/A GLN 197.A NE2 GLU 199.A O no hydrogen 3.052 N/A LEU 198.A N TYR 243.A OH no hydrogen 3.086 N/A ASP 203.A N GLN 207.A O no hydrogen 3.295 N/A LEU 205.A N ASP 203.A OD1 no hydrogen 2.879 N/A GLN 207.A N ASP 203.A OD1 no hydrogen 2.933 N/A GLN 208.A N GLN 207.A OE1 no hydrogen 3.166 N/A GLN 208.A NE2 SER 149.A O no hydrogen 3.145 N/A TYR 209.A N GLY 201.A O no hydrogen 2.961 N/A ASN 210.A N GLY 195.A O no hydrogen 2.973 N/A GLU 214.A N SER 211.A OG no hydrogen 3.101 N/A VAL 215.A N SER 211.A O no hydrogen 3.019 N/A ILE 216.A N PRO 212.A O no hydrogen 2.848 N/A LYS 218.A N GLN 213.A O no hydrogen 3.092 N/A LYS 218.A N GLU 214.A O no hydrogen 2.967 N/A ARG 219.A N GLU 214.A O no hydrogen 2.809 N/A ARG 219.A NE GLU 214.A OE2 no hydrogen 2.567 N/A ARG 219.A NH2 GLU 214.A OE2 no hydrogen 3.251 N/A SER 221.A N VAL 215.A O no hydrogen 3.090 N/A SER 221.A OG HIS 191.A O no hydrogen 3.072 N/A SER 221.A OG THR 193.A OG1 no hydrogen 2.596 N/A ASP 222.A N HIS 191.A O no hydrogen 2.983 N/A ILE 223.A N HIS 191.A O no hydrogen 3.005 N/A ILE 224.A N ASN 30.A O no hydrogen 3.098 N/A ILE 225.A N THR 193.A O no hydrogen 2.716 N/A VAL 226.A N CYS 32.A O no hydrogen 2.995 N/A ARG 228.A NH1 ASP 203.A OD2 no hydrogen 2.869 N/A ARG 228.A NH2 ASP 203.A OD2 no hydrogen 3.024 N/A ILE 230.A N GLY 227.A O no hydrogen 3.000 N/A ILE 231.A N GLY 227.A O no hydrogen 2.770 N/A SER 232.A N ARG 228.A O no hydrogen 3.022 N/A ALA 233.A N ILE 230.A O no hydrogen 3.059 N/A ARG 236.A NH1 ILE 231.A O no hydrogen 3.099 N/A GLU 238.A N ASP 235.A OD1 no hydrogen 3.092 N/A ALA 239.A N ASP 235.A O no hydrogen 3.009 N/A ALA 240.A N ARG 236.A O no hydrogen 2.917 N/A GLU 241.A N LEU 237.A O no hydrogen 3.066 N/A MET 242.A N GLU 238.A O no hydrogen 3.021 N/A TYR 243.A N ALA 239.A O no hydrogen 3.010 N/A ARG 244.A N ALA 240.A O no hydrogen 2.781 N/A ARG 244.A NE GLU 241.A OE2 no hydrogen 2.928 N/A ARG 244.A NH1 GLU 28.A O no hydrogen 2.928 N/A ARG 244.A NH2 GLU 241.A OE1 no hydrogen 2.968 N/A LYS 245.A N GLU 241.A O no hydrogen 2.836 N/A ALA 246.A N MET 242.A O no hydrogen 2.996 N/A ALA 247.A N TYR 243.A O no hydrogen 3.011 N/A TRP 248.A N ARG 244.A O no hydrogen 2.821 N/A GLU 249.A N LYS 245.A O no hydrogen 3.017 N/A ALA 250.A N ALA 246.A O no hydrogen 3.088 N/A TYR 251.A N ALA 247.A O no hydrogen 3.059 N/A TYR 251.A OH GLN 25.A OE1.A no hydrogen 3.236 N/A LEU 252.A N TRP 248.A O no hydrogen 2.909 N/A SER 253.A N GLU 249.A O no hydrogen 2.927 N/A SER 253.A OG GLU 249.A O no hydrogen 3.202 N/A ARG 254.A N ALA 250.A O no hydrogen 3.109 N/A ARG 254.A NE GLU 1.A OE1 no hydrogen 3.143 N/A ARG 254.A NH1 ILE 216.A O no hydrogen 2.804 N/A ARG 254.A NH1 SER 221.A O no hydrogen 2.662 N/A ARG 254.A NH2 ASP 222.A OD1 no hydrogen 3.426 N/A LEU 255.A N TYR 251.A O no hydrogen 3.069 N/A