Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ww2_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ARG 4.A O no hydrogen 3.349 N/A ARG 4.A NH1 LEU 179.A O no hydrogen 2.680 N/A ARG 4.A NH2 TYR 210.A OH no hydrogen 3.010 N/A LEU 8.A N CYS 100.A O no hydrogen 2.759 N/A ARG 9.A N TRP 29.A O no hydrogen 2.747 N/A CYS 10.A N ALA 98.A O no hydrogen 2.755 N/A LEU 11.A N LEU 27.A O no hydrogen 2.909 N/A GLN 12.A N VAL 96.A O no hydrogen 2.979 N/A GLN 12.A NE2 SER 14.A OG no hydrogen 2.745 N/A ILE 13.A N ASP 25.A O no hydrogen 2.718 N/A SER 14.A N LEU 94.A O no hydrogen 3.007 N/A SER 14.A OG THR 24.A OG1 no hydrogen 2.773 N/A SER 15.A N ARG 23.A O no hydrogen 2.987 N/A SER 15.A OG GLU 93.A OE2 no hydrogen 3.006 N/A PHE 16.A N LEU 92.A O no hydrogen 2.799 N/A ALA 17.A N TRP 21.A O no hydrogen 3.100 N/A THR 22.A OG1 SER 15.A O no hydrogen 2.775 N/A ARG 23.A N SER 15.A O no hydrogen 3.114 N/A ARG 23.A NH1 ASP 25.A OD1 no hydrogen 3.075 N/A THR 24.A N ASN 40.A OD1 no hydrogen 2.959 N/A THR 24.A OG1 SER 14.A OG no hydrogen 2.773 N/A ASP 25.A N ILE 13.A O no hydrogen 2.786 N/A GLY 26.A N TRP 38.A O no hydrogen 2.680 N/A LEU 27.A N LEU 11.A O no hydrogen 3.069 N/A ALA 28.A N HIS 36.A O no hydrogen 3.100 N/A TRP 29.A N ARG 9.A O no hydrogen 2.766 N/A LEU 30.A N LEU 33.A O no hydrogen 2.776 N/A GLY 31.A N PRO 7.A O no hydrogen 2.987 N/A LEU 33.A N LEU 30.A O no hydrogen 3.232 N/A GLN 34.A NE2 HIS 36.A O no hydrogen 2.972 N/A THR 35.A N ALA 28.A O no hydrogen 2.890 N/A THR 35.A OG1 ALA 28.A O no hydrogen 3.144 N/A THR 35.A OG1 HIS 36.A ND1 no hydrogen 3.072 N/A HIS 36.A N ALA 28.A O no hydrogen 3.466 N/A HIS 36.A ND1 THR 35.A OG1 no hydrogen 3.072 N/A SER 37.A N ARG 46.A O no hydrogen 2.948 N/A TRP 38.A N GLY 26.A O no hydrogen 2.692 N/A SER 42.A N SER 39.A O no hydrogen 3.345 N/A SER 42.A N SER 39.A OG no hydrogen 3.262 N/A SER 42.A OG THR 44.A O no hydrogen 3.104 N/A THR 44.A N SER 42.A OG no hydrogen 3.290 N/A VAL 45.A N GLN 65.A OE1 no hydrogen 2.764 N/A ARG 46.A N SER 37.A O no hydrogen 2.740 N/A LEU 48.A N THR 35.A O no hydrogen 2.939 N/A LYS 49.A N SER 52.A OG no hydrogen 2.882 N/A LYS 49.A NZ GLU 178.A OE2 no hydrogen 3.311 N/A LYS 49.A NZ GLU 239.A OE1 no hydrogen 3.350 N/A LYS 49.A NZ GLU 239.A OE2 no hydrogen 3.377 N/A TRP 51.A NE1 GLU 178.A OE1 no hydrogen 2.769 N/A SER 52.A N LYS 49.A O no hydrogen 3.132 N/A SER 52.A OG THR 35.A O no hydrogen 2.742 N/A SER 52.A OG LYS 49.A O no hydrogen 3.009 N/A GLN 53.A NE2 PHE 56.A O no hydrogen 2.629 N/A GLY 54.A N TRP 51.A O no hydrogen 3.198 N/A PHE 56.A N GLN 53.A O no hydrogen 3.343 N/A SER 57.A N GLN 60.A OE1 no hydrogen 2.834 N/A SER 57.A OG GLN 60.A OE1 no hydrogen 3.048 N/A GLN 60.A N SER 57.A OG no hydrogen 3.420 N/A TRP 61.A N SER 57.A O no hydrogen 2.876 N/A GLU 62.A N ASP 58.A O no hydrogen 3.052 N/A THR 63.A N GLN 59.A O no hydrogen 3.168 N/A THR 63.A OG1 GLN 60.A O no hydrogen 2.575 N/A LEU 64.A N GLN 60.A O no hydrogen 3.443 N/A GLN 65.A N TRP 61.A O no hydrogen 2.971 N/A HIS 66.A N GLU 62.A O no hydrogen 2.923 N/A ILE 67.A N THR 63.A O no hydrogen 3.026 N/A PHE 68.A N LEU 64.A O no hydrogen 2.897 N/A ARG 69.A N GLN 65.A O no hydrogen 3.125 N/A ARG 69.A NE ASP 43.A O no hydrogen 3.247 N/A ARG 69.A NH2 GLU 62.A OE2 no hydrogen 2.841 N/A VAL 70.A N HIS 66.A O no hydrogen 3.061 N/A TYR 71.A N ILE 67.A O no hydrogen 2.778 N/A TYR 71.A OH GLN 12.A OE1 no hydrogen 2.734 N/A ARG 72.A N PHE 68.A O no hydrogen 2.956 N/A ARG 72.A NH1 SER 42.A O no hydrogen 2.978 N/A ARG 72.A NH2 SER 42.A O no hydrogen 2.894 N/A SER 73.A N ARG 69.A O no hydrogen 3.375 N/A SER 74.A N VAL 70.A O no hydrogen 2.996 N/A SER 74.A OG VAL 70.A O no hydrogen 2.797 N/A PHE 75.A N TYR 71.A O no hydrogen 2.616 N/A THR 76.A N ARG 72.A O no hydrogen 2.862 N/A THR 76.A OG1 ARG 72.A O no hydrogen 2.671 N/A THR 76.A OG1 SER 73.A O no hydrogen 2.833 N/A ARG 77.A N SER 73.A O no hydrogen 3.113 N/A ARG 77.A NE ASP 78.A OD1 no hydrogen 3.302 N/A ARG 77.A NH2 ASP 78.A OD1 no hydrogen 3.179 N/A ASP 78.A N SER 74.A O no hydrogen 2.916 N/A VAL 79.A N PHE 75.A O no hydrogen 3.134 N/A GLU 81.A N ARG 77.A O no hydrogen 3.308 N/A PHE 82.A N ASP 78.A O no hydrogen 2.815 N/A ALA 83.A N VAL 79.A O no hydrogen 2.733 N/A LYS 84.A N LYS 80.A O no hydrogen 3.247 N/A MET 85.A N GLU 81.A O no hydrogen 2.985 N/A LEU 86.A N PHE 82.A O no hydrogen 2.798 N/A LEU 88.A N ALA 83.A O no hydrogen 2.983 N/A LEU 92.A N PHE 16.A O no hydrogen 2.790 N/A LEU 94.A N SER 14.A O no hydrogen 2.916 N/A GLN 95.A N ALA 115.A O no hydrogen 3.073 N/A VAL 96.A N GLN 12.A O no hydrogen 3.067 N/A SER 97.A N HIS 113.A O no hydrogen 2.796 N/A ALA 98.A N CYS 10.A O no hydrogen 2.977 N/A GLY 99.A N PHE 111.A O no hydrogen 3.064 N/A CYS 100.A N LEU 8.A O no hydrogen 3.254 N/A GLU 101.A N ASN 109.A O no hydrogen 2.898 N/A SER 108.A OG GLU 101.A O no hydrogen 2.713 N/A ASN 109.A N GLU 101.A O no hydrogen 3.090 N/A PHE 111.A N GLY 99.A O no hydrogen 3.023 N/A HIS 113.A N SER 97.A O no hydrogen 2.751 N/A VAL 114.A N LEU 122.A O no hydrogen 2.933 N/A ALA 115.A N GLN 95.A O no hydrogen 2.860 N/A PHE 116.A N LYS 119.A O no hydrogen 2.784 N/A GLN 117.A N GLU 93.A O no hydrogen 3.190 N/A GLN 117.A NE2 PRO 91.A O no hydrogen 3.079 N/A LYS 119.A N PHE 116.A O no hydrogen 3.240 N/A ILE 121.A N VAL 114.A O no hydrogen 3.100 N/A LEU 122.A N VAL 114.A O no hydrogen 3.456 N/A SER 123.A N GLU 130.A O no hydrogen 3.074 N/A PHE 124.A N PHE 112.A O no hydrogen 2.901 N/A GLN 125.A N SER 128.A O no hydrogen 2.821 N/A GLN 125.A NE2 SER 123.A OG no hydrogen 2.979 N/A SER 128.A N GLN 125.A O no hydrogen 3.116 N/A TRP 129.A N ASN 147.A OD1 no hydrogen 3.041 N/A GLU 130.A N SER 123.A O no hydrogen 2.818 N/A THR 132.A N ILE 121.A O no hydrogen 3.077 N/A VAL 139.A N PRO 136.A O no hydrogen 2.868 N/A ASN 140.A ND2 PRO 136.A O no hydrogen 3.489 N/A ALA 142.A N TRP 138.A O no hydrogen 3.153 N/A ILE 143.A N VAL 139.A O no hydrogen 2.836 N/A GLN 144.A N ASN 140.A O no hydrogen 3.156 N/A VAL 145.A N LEU 141.A O no hydrogen 3.471 N/A LEU 146.A N ALA 142.A O no hydrogen 3.026 N/A ASN 147.A N ILE 143.A O no hydrogen 2.831 N/A ASN 147.A ND2 TRP 129.A O no hydrogen 3.365 N/A GLN 148.A N VAL 145.A O no hydrogen 3.341 N/A THR 152.A N ASP 149.A OD2 no hydrogen 3.263 N/A THR 152.A OG1 ASP 149.A OD1 no hydrogen 2.702 N/A ARG 153.A N ASP 149.A O no hydrogen 3.358 N/A ARG 153.A NE ASN 147.A O no hydrogen 3.145 N/A ARG 153.A NH1 THR 127.A O no hydrogen 2.774 N/A ARG 153.A NH2 ASN 147.A O no hydrogen 3.384 N/A GLU 154.A N LYS 150.A O no hydrogen 3.045 N/A THR 155.A N TRP 151.A O no hydrogen 2.863 N/A THR 155.A OG1 TRP 151.A O no hydrogen 2.701 N/A VAL 156.A N THR 152.A O no hydrogen 2.853 N/A GLN 157.A N ARG 153.A O no hydrogen 3.021 N/A GLN 157.A NE2 ARG 153.A O no hydrogen 2.822 N/A TRP 158.A N GLU 154.A O no hydrogen 2.974 N/A LEU 159.A N THR 155.A O no hydrogen 2.822 N/A LEU 160.A N VAL 156.A O no hydrogen 2.836 N/A ASN 161.A N GLN 157.A O no hydrogen 2.826 N/A GLY 162.A N TRP 158.A O no hydrogen 3.137 N/A THR 163.A N TRP 158.A O no hydrogen 2.990 N/A THR 163.A OG1 TRP 158.A O no hydrogen 3.230 N/A CYS 164.A N LEU 159.A O no hydrogen 2.881 N/A GLN 166.A NE2 GLY 162.A O no hydrogen 3.473 N/A PHE 167.A N THR 163.A O no hydrogen 2.988 N/A VAL 168.A N CYS 164.A O no hydrogen 2.969 N/A SER 169.A N PRO 165.A O no hydrogen 3.209 N/A SER 169.A OG PRO 165.A O no hydrogen 2.757 N/A GLY 170.A N GLN 166.A O no hydrogen 3.172 N/A LEU 171.A N PHE 167.A O no hydrogen 2.969 N/A LEU 172.A N VAL 168.A O no hydrogen 2.948 N/A GLU 173.A N SER 169.A O no hydrogen 3.119 N/A SER 174.A N GLY 170.A O no hydrogen 2.779 N/A SER 174.A OG TRP 51.A O no hydrogen 2.809 N/A SER 174.A OG GLY 170.A O no hydrogen 3.247 N/A GLY 175.A N LEU 171.A O no hydrogen 2.837 N/A GLU 178.A N GLY 175.A O no hydrogen 2.983 N/A LEU 179.A N GLY 175.A O no hydrogen 2.858 N/A LYS 180.A N LYS 176.A O no hydrogen 3.057 N/A LYS 181.A N GLU 178.A O no hydrogen 3.437 N/A VAL 183.A N TYR 210.A O no hydrogen 3.009 N/A LYS 186.A N SER 207.A O no hydrogen 2.783 N/A TRP 188.A N HIS 205.A O no hydrogen 3.202 N/A SER 190.A N VAL 203.A O no hydrogen 2.975 N/A SER 190.A OG HIS 205.A NE2 no hydrogen 3.209 N/A GLY 192.A N LEU 201.A O no hydrogen 3.022 N/A ARG 199.A NE ASP 248.A OD1 no hydrogen 3.338 N/A ARG 199.A NE ASP 248.A OD2 no hydrogen 2.738 N/A ARG 199.A NH2 ASP 248.A OD1 no hydrogen 2.909 N/A LEU 200.A N VAL 249.A O no hydrogen 2.800 N/A LEU 202.A N LEU 247.A O no hydrogen 3.038 N/A VAL 203.A N SER 190.A O no hydrogen 2.938 N/A CYS 204.A N ALA 245.A O no hydrogen 2.850 N/A HIS 205.A N TRP 188.A O no hydrogen 3.027 N/A HIS 205.A ND1 TYR 242.A OH no hydrogen 2.771 N/A HIS 205.A NE2 SER 190.A OG no hydrogen 3.209 N/A VAL 206.A N LEU 243.A O no hydrogen 2.867 N/A SER 207.A N LYS 186.A O no hydrogen 2.785 N/A GLY 208.A N TRP 241.A O no hydrogen 2.880 N/A PHE 209.A N TRP 241.A O no hydrogen 3.379 N/A TYR 210.A N VAL 183.A O no hydrogen 3.337 N/A LYS 212.A N GLU 32.A OE1 no hydrogen 2.909 N/A LYS 212.A N GLU 32.A OE2 no hydrogen 3.069 N/A TRP 215.A N LYS 262.A O no hydrogen 3.026 N/A LYS 217.A N ARG 260.A O no hydrogen 3.157 N/A TRP 218.A N THR 228.A OG1 no hydrogen 3.344 N/A TRP 218.A NE1 ALA 245.A O no hydrogen 2.933 N/A MET 219.A N SER 258.A O no hydrogen 2.643 N/A ARG 220.A N GLN 223.A O no hydrogen 3.069 N/A ARG 220.A NH2 GLU 253.A O no hydrogen 2.515 N/A ARG 220.A NH2 ALA 255.A O no hydrogen 2.975 N/A GLN 223.A N ARG 220.A O no hydrogen 3.166 N/A GLN 225.A N TRP 218.A O no hydrogen 2.966 N/A GLN 225.A NE2 GLN 223.A O no hydrogen 2.789 N/A THR 228.A OG1 GLN 225.A O no hydrogen 2.860 N/A GLN 229.A N THR 246.A O no hydrogen 2.779 N/A LEU 234.A N TYR 242.A O no hydrogen 2.728 N/A ASN 236.A N THR 240.A O no hydrogen 2.975 N/A ASN 236.A ND2 THR 240.A OG1 no hydrogen 2.990 N/A GLU 239.A N ASN 236.A O no hydrogen 3.136 N/A THR 240.A N ASP 238.A OD2 no hydrogen 3.177 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 3.382 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 2.639 N/A TRP 241.A N PHE 209.A O no hydrogen 2.776 N/A TRP 241.A NE1 GLU 32.A OE2 no hydrogen 2.969 N/A TYR 242.A N LEU 234.A O no hydrogen 2.828 N/A TYR 242.A OH HIS 205.A ND1 no hydrogen 2.771 N/A LEU 243.A N VAL 206.A O no hydrogen 2.959 N/A ALA 245.A N CYS 204.A O no hydrogen 2.846 N/A THR 246.A N GLN 229.A O no hydrogen 2.864 N/A LEU 247.A N LEU 202.A O no hydrogen 2.947 N/A VAL 249.A N LEU 200.A O no hydrogen 3.064 N/A ALA 251.A N GLY 198.A O no hydrogen 2.814 N/A GLU 253.A N VAL 250.A O no hydrogen 3.176 N/A LEU 257.A N ALA 254.A O no hydrogen 3.385 N/A SER 258.A N MET 219.A O no hydrogen 2.728 N/A CYS 259.A N LEU 273.A O no hydrogen 2.746 N/A CYS 259.A SG LYS 217.A O no hydrogen 3.863 N/A ARG 260.A N LYS 217.A O no hydrogen 3.075 N/A VAL 261.A N ILE 271.A O no hydrogen 2.829 N/A LYS 262.A N TRP 215.A O no hydrogen 2.837 N/A LYS 262.A NZ ASP 270.A OD1 no hydrogen 2.767 N/A HIS 263.A ND1 SER 265.A OG no hydrogen 2.755 N/A HIS 263.A NE2 PRO 211.A O no hydrogen 2.971 N/A SER 264.A OG GLN 182.A OE1 no hydrogen 2.674 N/A SER 265.A N HIS 263.A ND1 no hydrogen 3.113 N/A SER 265.A OG HIS 263.A ND1 no hydrogen 2.755 N/A LEU 266.A N HIS 263.A O no hydrogen 3.103 N/A GLU 267.A N SER 264.A O no hydrogen 3.341 N/A GLN 269.A N LEU 266.A O no hydrogen 2.915 N/A ASP 270.A N GLY 268.A O no hydrogen 3.146 N/A ILE 271.A N VAL 261.A O no hydrogen 3.180 N/A LEU 273.A N CYS 259.A O no hydrogen 3.076 N/A TRP 275.A N LEU 257.A O no hydrogen 3.031 N/A