Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wqn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASN 13.A OD1 no hydrogen 2.743 N/A ARG 3.A NH2 THR 10.A OG1 no hydrogen 3.281 N/A MET 6.A N ARG 3.A O no hydrogen 2.825 N/A TYR 8.A OH ASP 36.A OD2 no hydrogen 2.646 N/A ASN 9.A N MET 6.A O no hydrogen 2.922 N/A THR 10.A OG1 GLU 83.A OE1 no hydrogen 3.349 N/A LEU 11.A N GLU 83.A OE1 no hydrogen 3.300 N/A ASN 13.A N THR 10.A O no hydrogen 3.171 N/A ASN 13.A ND2 ARG 3.A O no hydrogen 2.761 N/A ASN 13.A ND2 GLY 7.A O no hydrogen 2.787 N/A PHE 14.A N LEU 11.A O no hydrogen 2.931 N/A ARG 15.A N ALA 32.A O no hydrogen 3.039 N/A GLU 17.A N ARG 30.A O no hydrogen 2.779 N/A LYS 18.A N ARG 30.A O no hydrogen 3.314 N/A LYS 19.A NZ GLU 27.A OE2 no hydrogen 2.831 N/A ILE 20.A N VAL 28.A O no hydrogen 2.809 N/A GLY 21.A N VAL 28.A O no hydrogen 3.054 N/A GLY 23.A N SER 26.A O no hydrogen 2.654 N/A GLU 27.A N LYS 44.A O no hydrogen 3.243 N/A VAL 28.A N GLY 21.A O no hydrogen 2.862 N/A TYR 29.A N LEU 42.A O no hydrogen 2.808 N/A TYR 29.A OH GLU 27.A OE1 no hydrogen 3.040 N/A ARG 30.A N LYS 18.A O no hydrogen 2.698 N/A ARG 30.A NE GLU 17.A OE1 no hydrogen 2.845 N/A ALA 31.A N VAL 40.A O no hydrogen 2.862 N/A ALA 32.A N ARG 15.A O no hydrogen 3.103 N/A CYS 33.A N VAL 38.A O no hydrogen 2.834 N/A CYS 33.A SG ASN 13.A O no hydrogen 3.998 N/A LEU 34.A N ASN 13.A O no hydrogen 2.759 N/A ASP 36.A N CYS 33.A O no hydrogen 3.386 N/A GLY 37.A N CYS 33.A O no hydrogen 2.701 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 3.252 N/A VAL 40.A N ALA 31.A O no hydrogen 2.727 N/A ALA 41.A N LEU 91.A O no hydrogen 2.866 N/A LEU 42.A N TYR 29.A O no hydrogen 2.816 N/A LYS 43.A N ILE 89.A O no hydrogen 2.906 N/A LYS 44.A N GLU 27.A O no hydrogen 3.033 N/A VAL 45.A N LEU 87.A O no hydrogen 2.953 N/A ASP 49.A N GLN 46.A O no hydrogen 2.596 N/A MET 51.A N ILE 47.A O no hydrogen 2.837 N/A LYS 54.A N ASP 52.A OD2 no hydrogen 2.934 N/A ARG 56.A N ASP 52.A O no hydrogen 2.919 N/A ALA 57.A N ALA 53.A O no hydrogen 3.091 N/A ASP 58.A N LYS 54.A O no hydrogen 3.069 N/A CYS 59.A N ALA 55.A O no hydrogen 2.762 N/A ILE 60.A N ARG 56.A O no hydrogen 2.974 N/A LYS 61.A N ALA 57.A O no hydrogen 2.780 N/A GLU 62.A N ASP 58.A O no hydrogen 2.940 N/A ILE 63.A N CYS 59.A O no hydrogen 2.798 N/A ASP 64.A N ILE 60.A O no hydrogen 2.988 N/A LEU 65.A N LYS 61.A O no hydrogen 3.060 N/A LEU 66.A N GLU 62.A O no hydrogen 2.928 N/A LYS 67.A N ILE 63.A O no hydrogen 2.980 N/A LYS 67.A NZ SER 80.A OG no hydrogen 3.282 N/A GLN 68.A N LEU 65.A O no hydrogen 3.230 N/A LEU 69.A N LEU 66.A O no hydrogen 3.128 N/A ASN 70.A N HIS 131.A NE2 no hydrogen 3.114 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 3.025 N/A ASN 73.A ND2 GLN 124.A OE1 no hydrogen 3.340 N/A ASN 73.A ND2 VAL 155.A O no hydrogen 2.959 N/A VAL 74.A N HIS 71.A O no hydrogen 3.267 N/A ILE 75.A N LEU 157.A O no hydrogen 3.036 N/A LYS 76.A N GLU 92.A OE2 no hydrogen 2.984 N/A LYS 76.A NZ LEU 69.A O no hydrogen 3.150 N/A TYR 78.A N VAL 90.A O no hydrogen 2.952 N/A ALA 79.A N VAL 90.A O no hydrogen 3.451 N/A PHE 81.A N ASN 88.A O no hydrogen 3.006 N/A GLU 83.A N GLU 86.A O no hydrogen 2.833 N/A GLU 86.A N GLU 83.A O no hydrogen 3.181 N/A LEU 87.A N VAL 45.A O no hydrogen 2.937 N/A ASN 88.A N PHE 81.A O no hydrogen 2.813 N/A ASN 88.A ND2 PHE 81.A O no hydrogen 3.595 N/A ASN 88.A ND2 GLU 83.A O no hydrogen 3.334 N/A ILE 89.A N LYS 43.A O no hydrogen 3.055 N/A VAL 90.A N ALA 79.A O no hydrogen 2.883 N/A LEU 91.A N ALA 41.A O no hydrogen 2.791 N/A GLU 92.A N LYS 76.A O no hydrogen 2.872 N/A LEU 99.A N VAL 147.A O no hydrogen 2.911 N/A ARG 101.A N ASP 98.A OD2 no hydrogen 3.018 N/A MET 102.A N ASP 98.A O no hydrogen 3.067 N/A ILE 103.A N LEU 99.A O no hydrogen 2.945 N/A LYS 104.A N SER 100.A O no hydrogen 3.179 N/A HIS 105.A N ARG 101.A O no hydrogen 2.932 N/A PHE 106.A N MET 102.A O no hydrogen 3.242 N/A LYS 107.A N ILE 103.A O no hydrogen 3.092 N/A LYS 107.A NZ LEU 194.A O no hydrogen 3.258 N/A LYS 108.A N LYS 104.A O no hydrogen 2.813 N/A GLN 109.A N HIS 105.A O no hydrogen 2.894 N/A LYS 110.A N LYS 107.A O no hydrogen 2.914 N/A ARG 111.A N PHE 106.A O no hydrogen 2.843 N/A THR 117.A N PRO 114.A O no hydrogen 2.938 N/A VAL 118.A N PRO 114.A O no hydrogen 2.974 N/A TRP 119.A N GLU 115.A O no hydrogen 3.004 N/A TRP 119.A NE1 GLU 115.A OE2 no hydrogen 2.901 N/A LYS 120.A N ARG 116.A O no hydrogen 3.134 N/A LYS 120.A NZ TYR 121.A OH no hydrogen 3.521 N/A TYR 121.A N THR 117.A O no hydrogen 3.334 N/A PHE 122.A N VAL 118.A O no hydrogen 2.853 N/A VAL 123.A N TRP 119.A O no hydrogen 2.916 N/A GLN 124.A NE2 LYS 120.A O no hydrogen 3.051 N/A GLN 124.A NE2 GLY 153.A O no hydrogen 3.371 N/A LEU 125.A N TYR 121.A O no hydrogen 3.144 N/A CYS 126.A N PHE 122.A O no hydrogen 2.873 N/A CYS 126.A SG PHE 122.A O no hydrogen 3.432 N/A SER 127.A N VAL 123.A O no hydrogen 3.027 N/A SER 127.A OG HIS 71.A NE2 no hydrogen 3.246 N/A SER 127.A OG TYR 248.A OH no hydrogen 2.922 N/A ALA 128.A N GLN 124.A O no hydrogen 2.996 N/A LEU 129.A N LEU 125.A O no hydrogen 3.039 N/A GLU 130.A N CYS 126.A O no hydrogen 2.819 N/A HIS 131.A N SER 127.A O no hydrogen 3.061 N/A MET 132.A N ALA 128.A O no hydrogen 3.161 N/A HIS 133.A N LEU 129.A O no hydrogen 2.886 N/A HIS 133.A NE2 ASP 180.A OD2 no hydrogen 2.892 N/A SER 134.A N GLU 130.A O no hydrogen 2.768 N/A SER 134.A OG HIS 131.A O no hydrogen 2.829 N/A ARG 135.A N HIS 131.A O no hydrogen 3.095 N/A ARG 135.A N MET 132.A O no hydrogen 3.032 N/A ARG 135.A NH1 GLN 68.A O no hydrogen 3.098 N/A ARG 136.A N HIS 133.A O no hydrogen 2.811 N/A ARG 136.A NH1 HIS 133.A O no hydrogen 3.376 N/A VAL 137.A N MET 132.A O no hydrogen 2.904 N/A HIS 139.A N ASP 180.A OD2 no hydrogen 2.818 N/A HIS 139.A NE2 GLY 158.A O no hydrogen 2.936 N/A ARG 140.A N ASP 180.A OD1 no hydrogen 3.074 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.005 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.551 N/A ASN 146.A N LYS 143.A O no hydrogen 2.909 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 3.090 N/A ASN 146.A ND2 ASP 159.A O no hydrogen 3.486 N/A VAL 147.A N PRO 144.A O no hydrogen 2.939 N/A PHE 148.A N LYS 156.A O no hydrogen 3.066 N/A ILE 149.A N GLY 97.A O no hydrogen 3.075 N/A THR 150.A N VAL 154.A O no hydrogen 2.908 N/A THR 150.A OG1 THR 152.A OG1 no hydrogen 2.883 N/A THR 152.A N THR 150.A OG1 no hydrogen 3.049 N/A THR 152.A OG1 THR 150.A OG1 no hydrogen 2.883 N/A GLY 153.A N THR 150.A O no hydrogen 3.049 N/A VAL 154.A N THR 150.A OG1 no hydrogen 3.192 N/A VAL 155.A N GLN 124.A OE1 no hydrogen 2.755 N/A LYS 156.A N PHE 148.A O no hydrogen 2.770 N/A LYS 156.A NZ GLU 92.A OE1 no hydrogen 2.634 N/A LEU 157.A N ASN 73.A O no hydrogen 2.662 N/A GLY 158.A N ASN 146.A O no hydrogen 2.740 N/A LEU 160.A N TYR 77.A OH no hydrogen 3.176 N/A TYR 163.A OH GLU 190.A OE1 no hydrogen 3.390 N/A TYR 163.A OH GLU 190.A OE2 no hydrogen 2.689 N/A TYR 164.A OH GLU 190.A OE1 no hydrogen 2.660 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.579 N/A ARG 169.A N SER 166.A OG no hydrogen 3.237 N/A ILE 170.A N SER 166.A O no hydrogen 2.783 N/A HIS 171.A N PRO 167.A O no hydrogen 3.187 N/A HIS 171.A ND1 PRO 167.A O no hydrogen 2.624 N/A GLU 172.A N ARG 169.A O no hydrogen 2.994 N/A ASN 173.A N GLU 168.A O no hydrogen 2.779 N/A TYR 175.A OH ASP 180.A OD1 no hydrogen 2.403 N/A ASN 176.A N SER 179.A OG no hydrogen 3.224 N/A LYS 178.A NZ PRO 238.A O no hydrogen 3.350 N/A LYS 178.A NZ ARG 241.A O no hydrogen 2.933 N/A SER 179.A N ASN 176.A O no hydrogen 2.961 N/A SER 179.A N ASN 176.A OD1 no hydrogen 3.345 N/A SER 179.A OG GLU 168.A OE2 no hydrogen 2.790 N/A SER 179.A OG ASN 176.A OD1 no hydrogen 3.146 N/A ILE 181.A N PHE 177.A O no hydrogen 3.312 N/A TRP 182.A N LYS 178.A O no hydrogen 3.047 N/A SER 183.A N SER 179.A O no hydrogen 3.193 N/A LEU 184.A N ASP 180.A O no hydrogen 2.898 N/A GLY 185.A N ILE 181.A O no hydrogen 3.001 N/A CYS 186.A N TRP 182.A O no hydrogen 3.057 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.476 N/A LEU 187.A N SER 183.A O no hydrogen 2.932 N/A LEU 188.A N LEU 184.A O no hydrogen 3.070 N/A TYR 189.A N GLY 185.A O no hydrogen 3.022 N/A TYR 189.A OH PRO 215.A O no hydrogen 2.502 N/A GLU 190.A N CYS 186.A O no hydrogen 2.862 N/A MET 191.A N LEU 187.A O no hydrogen 2.913 N/A ALA 192.A N LEU 188.A O no hydrogen 3.259 N/A ALA 192.A N TYR 189.A O no hydrogen 3.009 N/A ALA 193.A N TYR 189.A O no hydrogen 2.778 N/A LEU 194.A N GLU 190.A O no hydrogen 2.680 N/A SER 196.A OG GLU 190.A OE1 no hydrogen 3.234 N/A TYR 199.A N SER 196.A O no hydrogen 3.373 N/A ASN 201.A N SER 204.A OG no hydrogen 3.160 N/A TYR 203.A N ASN 201.A OD1 no hydrogen 3.018 N/A SER 204.A N ASN 201.A OD1 no hydrogen 3.250 N/A SER 204.A OG ASN 201.A O no hydrogen 3.005 N/A LEU 205.A N ASN 201.A O no hydrogen 2.902 N/A CYS 206.A N LEU 202.A O no hydrogen 2.898 N/A CYS 206.A SG HIS 171.A NE2 no hydrogen 3.660 N/A LYS 207.A N TYR 203.A O no hydrogen 2.902 N/A LYS 208.A N SER 204.A O no hydrogen 2.926 N/A ILE 209.A N LEU 205.A O no hydrogen 2.885 N/A GLU 210.A N CYS 206.A O no hydrogen 2.997 N/A GLN 211.A N LYS 207.A O no hydrogen 3.188 N/A GLN 211.A N LYS 208.A O no hydrogen 3.044 N/A CYS 212.A N ILE 209.A O no hydrogen 3.350 N/A ASP 213.A N LYS 208.A O no hydrogen 2.978 N/A TYR 214.A N CYS 212.A O no hydrogen 2.729 N/A TYR 214.A OH ASN 231.A OD1 no hydrogen 2.881 N/A HIS 221.A N PRO 218.A O no hydrogen 3.145 N/A TYR 222.A N PRO 218.A O no hydrogen 3.027 N/A TYR 222.A OH ILE 113.A O no hydrogen 2.577 N/A TYR 222.A OH ALA 192.A O no hydrogen 3.273 N/A SER 223.A N GLU 115.A OE1 no hydrogen 2.640 N/A SER 223.A OG GLU 115.A OE1 no hydrogen 3.499 N/A SER 223.A OG GLU 115.A OE2 no hydrogen 2.585 N/A GLU 225.A N GLU 225.A OE1.A no hydrogen 2.552 N/A LEU 226.A N SER 223.A OG no hydrogen 3.114 N/A ARG 227.A N SER 223.A O no hydrogen 3.011 N/A ARG 227.A NE TYR 222.A O no hydrogen 2.787 N/A ARG 227.A NH2 GLU 224.A OE1 no hydrogen 3.130 N/A GLN 228.A N GLU 224.A O no hydrogen 2.789 N/A GLN 228.A NE2 GLU 224.A OE2 no hydrogen 2.936 N/A LEU 229.A N GLU 225.A O no hydrogen 3.073 N/A VAL 230.A N LEU 226.A O no hydrogen 3.115 N/A ASN 231.A N ARG 227.A O no hydrogen 2.976 N/A ASN 231.A ND2 GLN 228.A OE1 no hydrogen 3.569 N/A MET 232.A N GLN 228.A O no hydrogen 2.966 N/A CYS 233.A N LEU 229.A O no hydrogen 3.193 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.255 N/A ILE 234.A N VAL 230.A O no hydrogen 3.107 N/A ASP 237.A N ASN 235.A OD1 no hydrogen 2.956 N/A GLU 239.A N ASP 237.A OD1 no hydrogen 2.983 N/A LYS 240.A N ASP 237.A O no hydrogen 2.775 N/A ARG 241.A N PRO 238.A O no hydrogen 3.034 N/A ARG 241.A NE ASN 235.A O no hydrogen 2.695 N/A ARG 241.A NH1 GLU 168.A OE2 no hydrogen 2.727 N/A ARG 241.A NH1 LYS 178.A O no hydrogen 2.957 N/A ARG 241.A NH2 GLU 168.A OE1 no hydrogen 2.989 N/A ARG 241.A NH2 ASN 235.A O no hydrogen 3.443 N/A ARG 241.A NH2 PRO 236.A O no hydrogen 3.062 N/A THR 245.A OG1 GLU 130.A OE2 no hydrogen 3.270 N/A TYR 246.A N ASP 243.A O.B no hydrogen 3.179 N/A TYR 246.A N ASP 243.A OD1.B no hydrogen 3.362 N/A VAL 247.A N ASP 243.A O.A no hydrogen 3.455 N/A VAL 247.A N ASP 243.A O.B no hydrogen 3.393 N/A TYR 248.A N VAL 244.A O no hydrogen 2.851 N/A ASP 249.A N THR 245.A O no hydrogen 3.037 N/A VAL 250.A N TYR 246.A O no hydrogen 3.149 N/A ALA 251.A N VAL 247.A O no hydrogen 3.022 N/A LYS 252.A N TYR 248.A O no hydrogen 2.952 N/A LYS 252.A NZ ASP 249.A OD1 no hydrogen 3.568 N/A ARG 253.A N ASP 249.A O no hydrogen 3.113 N/A ARG 253.A NH2 GLU 225.A OE1.B no hydrogen 3.147 N/A MET 254.A N VAL 250.A O no hydrogen 2.787 N/A HIS 255.A N ALA 251.A O no hydrogen 2.746 N/A ALA 256.A N LYS 252.A O no hydrogen 2.947 N/A CYS 257.A N ARG 253.A O no hydrogen 3.069 N/A CYS 257.A SG ARG 253.A O no hydrogen 3.808 N/A THR 258.A OG1 MET 254.A O no hydrogen 2.762 N/A