Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N PRO 29.A O no hydrogen 3.340 N/A LEU 2.A N PRO 29.A O no hydrogen 3.173 N/A LEU 4.A N GLU 31.A O no hydrogen 2.822 N/A GLY 5.A N LEU 51.A O no hydrogen 2.882 N/A PHE 6.A N VAL 33.A O no hydrogen 3.166 N/A SER 7.A N ASP 12.A OD2 no hydrogen 2.921 N/A SER 7.A OG ASP 12.A OD2 no hydrogen 2.776 N/A THR 13.A N CYS 9.A O no hydrogen 3.099 N/A THR 13.A OG1 CYS 9.A O no hydrogen 3.167 N/A THR 13.A OG1 PRO 10.A O no hydrogen 3.335 N/A PHE 14.A N PRO 10.A O no hydrogen 2.904 N/A ILE 15.A N ASN 11.A O no hydrogen 3.050 N/A PHE 16.A N ASP 12.A O no hydrogen 2.954 N/A LEU 19.A N SER 198.A OG no hydrogen 3.042 N/A VAL 20.A N PHE 16.A O no hydrogen 2.892 N/A HIS 21.A N TYR 17.A O no hydrogen 3.054 N/A HIS 21.A ND1 TYR 17.A O no hydrogen 2.681 N/A ARG 23.A N ALA 18.A O no hydrogen 2.760 N/A ARG 23.A NE TYR 201.A OH no hydrogen 3.163 N/A ARG 23.A NH2 TYR 201.A OH no hydrogen 3.269 N/A SER 26.A OG VAL 28.A O no hydrogen 2.646 N/A GLU 31.A N LEU 2.A O no hydrogen 2.751 N/A VAL 33.A N LEU 4.A O no hydrogen 2.900 N/A GLU 35.A N PHE 6.A O no hydrogen 2.973 N/A GLU 38.A N ASP 36.A OD2 no hydrogen 3.156 N/A LEU 40.A N ASP 36.A O no hydrogen 3.164 N/A ASN 41.A N VAL 37.A O no hydrogen 2.819 N/A ASN 41.A ND2 GLU 38.A OE1 no hydrogen 2.984 N/A ASN 41.A ND2 SER 55.A OG no hydrogen 2.893 N/A ARG 42.A N GLU 38.A O no hydrogen 2.970 N/A TRP 43.A N THR 39.A O no hydrogen 2.981 N/A ALA 44.A N LEU 40.A O no hydrogen 2.971 N/A LEU 45.A N ARG 42.A O no hydrogen 3.011 N/A GLU 46.A N TRP 43.A O no hydrogen 2.968 N/A GLY 47.A N ALA 44.A O no hydrogen 2.965 N/A ARG 48.A N TRP 43.A O no hydrogen 3.159 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 2.902 N/A ARG 48.A NH2 GLU 46.A OE2 no hydrogen 3.526 N/A THR 52.A N LEU 178.A O no hydrogen 2.902 N/A THR 52.A OG1 LYS 53.A O no hydrogen 2.858 N/A LYS 53.A N GLY 5.A O no hydrogen 2.814 N/A LYS 53.A NZ ASP 12.A OD1 no hydrogen 3.001 N/A LYS 53.A NZ ASP 12.A OD2 no hydrogen 3.285 N/A LEU 54.A N ALA 176.A O no hydrogen 2.760 N/A SER 55.A N ASN 41.A OD1 no hydrogen 3.026 N/A TYR 56.A N LEU 174.A O no hydrogen 2.827 N/A ALA 57.A N THR 105.A OG1 no hydrogen 3.076 N/A TYR 59.A N SER 55.A O no hydrogen 2.985 N/A TYR 59.A OH LEU 268.A O no hydrogen 2.609 N/A ALA 60.A N TYR 56.A O no hydrogen 3.332 N/A GLN 61.A N ALA 58.A O no hydrogen 2.853 N/A GLN 61.A NE2 LEU 260.A O no hydrogen 2.894 N/A VAL 62.A N TYR 59.A O no hydrogen 2.932 N/A ARG 63.A NH2 SER 264.A O no hydrogen 3.350 N/A ARG 63.A NH2 ARG 266.A O no hydrogen 2.834 N/A ARG 65.A N VAL 62.A O no hydrogen 2.970 N/A TYR 66.A N VAL 62.A O no hydrogen 2.861 N/A TYR 66.A OH LEU 49.A O no hydrogen 2.575 N/A VAL 67.A N ALA 179.A O no hydrogen 3.004 N/A ALA 68.A N TYR 59.A OH no hydrogen 3.221 N/A ALA 68.A N LEU 268.A O no hydrogen 3.396 N/A LEU 69.A N ILE 177.A O no hydrogen 2.883 N/A ARG 70.A N ASP 192.A OD1 no hydrogen 3.199 N/A ARG 70.A N ASP 192.A OD2 no hydrogen 2.836 N/A ARG 70.A NE ASP 239.A OD1 no hydrogen 3.015 N/A ARG 70.A NH1 GLU 245.A OE2 no hydrogen 2.841 N/A ARG 70.A NH2 ASP 239.A OD2 no hydrogen 3.086 N/A ARG 70.A NH2 GLU 245.A OE2 no hydrogen 2.886 N/A SER 71.A N ASP 192.A OD1 no hydrogen 3.104 N/A SER 71.A OG ASP 192.A O no hydrogen 3.074 N/A SER 71.A OG ASP 192.A OD1 no hydrogen 2.847 N/A GLY 72.A N SER 237.A O no hydrogen 2.725 N/A ALA 74.A N GLY 175.A O no hydrogen 2.739 N/A GLY 76.A N LEU 172.A O no hydrogen 3.137 N/A ARG 77.A NH1 GLU 243.A OE1 no hydrogen 3.411 N/A ARG 77.A NH1 GLU 243.A OE2 no hydrogen 3.185 N/A ARG 77.A NH2 GLY 169.A O no hydrogen 2.936 N/A ARG 77.A NH2 GLU 243.A OE1 no hydrogen 2.904 N/A LEU 82.A N ILE 141.A O no hydrogen 3.188 N/A VAL 83.A N VAL 158.A O no hydrogen 2.904 N/A VAL 84.A N GLY 139.A O no hydrogen 2.863 N/A ALA 85.A N VAL 155.A O no hydrogen 2.909 N/A ARG 86.A NH1 VAL 131.A O no hydrogen 2.739 N/A ARG 86.A NH1 VAL 136.A O no hydrogen 2.950 N/A GLY 94.A N GLY 116.A O no hydrogen 2.687 N/A LEU 95.A N LEU 92.A O no hydrogen 3.037 N/A ARG 96.A N GLU 137.A OE1 no hydrogen 2.786 N/A ARG 96.A NE GLU 137.A OE1 no hydrogen 3.260 N/A ARG 96.A NE GLU 137.A OE2 no hydrogen 3.414 N/A ARG 96.A NH2 GLU 137.A OE2 no hydrogen 2.741 N/A VAL 97.A N VAL 118.A O no hydrogen 2.889 N/A ALA 98.A N ALA 138.A O no hydrogen 2.984 N/A VAL 99.A N VAL 120.A O no hydrogen 2.804 N/A ARG 102.A N GLU 121.A OE1 no hydrogen 2.828 N/A ARG 102.A NE GLU 121.A OE1 no hydrogen 3.240 N/A ARG 102.A NE GLU 121.A OE2 no hydrogen 3.097 N/A ARG 102.A NH2 GLU 121.A OE2 no hydrogen 2.752 N/A HIS 103.A N GLU 38.A OE2 no hydrogen 3.040 N/A THR 104.A N GLY 101.A O no hydrogen 3.135 N/A THR 104.A OG1 GLY 101.A O no hydrogen 2.789 N/A THR 105.A OG1 LEU 174.A O no hydrogen 2.820 N/A TYR 107.A N THR 104.A OG1 no hydrogen 3.023 N/A PHE 108.A N THR 104.A O no hydrogen 3.075 N/A LEU 109.A N THR 105.A O no hydrogen 2.788 N/A LEU 110.A N ALA 106.A O no hydrogen 2.924 N/A SER 111.A N TYR 107.A O no hydrogen 2.933 N/A SER 111.A OG PHE 108.A O no hydrogen 2.685 N/A LEU 112.A N PHE 108.A O no hydrogen 3.084 N/A LEU 112.A N LEU 109.A O no hydrogen 3.050 N/A TYR 113.A N LEU 109.A O no hydrogen 3.016 N/A ALA 114.A N LEU 110.A O no hydrogen 2.962 N/A GLN 115.A NE2 SER 111.A O no hydrogen 2.894 N/A GLN 115.A NE2 LEU 112.A O no hydrogen 3.415 N/A VAL 118.A N LEU 95.A O no hydrogen 2.916 N/A VAL 120.A N VAL 97.A O no hydrogen 2.916 N/A VAL 122.A N VAL 99.A O no hydrogen 2.907 N/A ARG 126.A N ARG 123.A O no hydrogen 2.999 N/A ILE 127.A N TYR 124.A O no hydrogen 3.261 N/A MET 130.A N ARG 126.A O no hydrogen 3.162 N/A VAL 131.A N ILE 127.A O no hydrogen 3.031 N/A ALA 132.A N LEU 128.A O no hydrogen 3.029 N/A GLN 133.A N PRO 129.A O no hydrogen 2.885 N/A GLY 134.A N VAL 131.A O no hydrogen 3.078 N/A GLU 135.A N MET 130.A O no hydrogen 2.923 N/A GLU 137.A N ARG 96.A O no hydrogen 2.913 N/A ALA 138.A N ARG 96.A O no hydrogen 3.223 N/A GLY 139.A N VAL 84.A O no hydrogen 2.853 N/A LEU 140.A N ALA 98.A O no hydrogen 2.892 N/A ILE 141.A N LEU 82.A O no hydrogen 2.850 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.845 N/A SER 145.A N ILE 142.A O no hydrogen 3.243 N/A SER 145.A OG ILE 142.A O no hydrogen 3.397 N/A ARG 146.A NH1 GLY 80.A O no hydrogen 2.609 N/A PHE 147.A N GLU 144.A O no hydrogen 3.009 N/A THR 148.A N SER 145.A O no hydrogen 3.226 N/A TYR 149.A N SER 145.A O no hydrogen 3.066 N/A ARG 151.A N THR 148.A O no hydrogen 2.866 N/A TYR 152.A N TYR 149.A O no hydrogen 2.987 N/A GLY 153.A N PRO 150.A O no hydrogen 2.827 N/A VAL 155.A N ALA 85.A O no hydrogen 2.830 N/A VAL 157.A N VAL 83.A O no hydrogen 2.664 N/A VAL 158.A N VAL 83.A O no hydrogen 3.402 N/A LEU 160.A N PRO 81.A O no hydrogen 2.916 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 2.802 N/A ALA 162.A N ASP 159.A OD1 no hydrogen 2.970 N/A TRP 163.A N ASP 159.A O no hydrogen 2.947 N/A TRP 164.A N LEU 160.A O no hydrogen 2.887 N/A TRP 164.A NE1 PRO 171.A O no hydrogen 2.874 N/A GLU 165.A N GLY 161.A O no hydrogen 2.922 N/A GLU 166.A N ALA 162.A O no hydrogen 2.931 N/A ARG 167.A N TRP 163.A O no hydrogen 3.041 N/A ARG 167.A NE GLU 254.A OE1 no hydrogen 3.054 N/A ARG 167.A NH2 GLU 254.A OE1 no hydrogen 3.391 N/A ARG 167.A NH2 GLU 254.A OE2 no hydrogen 3.243 N/A THR 168.A N TRP 164.A O no hydrogen 2.858 N/A THR 168.A OG1 TRP 164.A O no hydrogen 2.769 N/A GLY 169.A N GLU 165.A O no hydrogen 2.655 N/A LEU 170.A N THR 168.A OG1 no hydrogen 3.089 N/A LEU 172.A N GLY 76.A O no hydrogen 2.850 N/A LEU 174.A N ALA 74.A O no hydrogen 2.823 N/A GLY 175.A N ALA 74.A O no hydrogen 2.958 N/A ALA 176.A N LEU 54.A O no hydrogen 2.829 N/A LEU 178.A N THR 52.A O no hydrogen 2.736 N/A ALA 179.A N VAL 67.A O no hydrogen 2.896 N/A ARG 180.A N PRO 50.A O no hydrogen 2.803 N/A ARG 180.A NE ASP 182.A OD1 no hydrogen 2.959 N/A ARG 180.A NH1 GLY 47.A O no hydrogen 2.832 N/A ARG 180.A NH1 ARG 48.A O no hydrogen 3.196 N/A ARG 181.A N ARG 65.A O no hydrogen 2.938 N/A ARG 181.A NE ARG 63.A O no hydrogen 2.903 N/A ARG 181.A NE TYR 66.A O no hydrogen 3.162 N/A ARG 181.A NH2 ARG 63.A O no hydrogen 3.444 N/A LEU 183.A N ARG 180.A O no hydrogen 3.056 N/A GLY 184.A N ARG 181.A O no hydrogen 3.249 N/A ILE 188.A N GLY 184.A O no hydrogen 3.039 N/A ARG 189.A N GLU 185.A O no hydrogen 2.937 N/A ALA 190.A N GLY 186.A O no hydrogen 2.946 N/A LEU 191.A N LEU 187.A O no hydrogen 2.845 N/A ASP 192.A N ILE 188.A O no hydrogen 2.901 N/A GLU 193.A N ARG 189.A O no hydrogen 3.059 N/A ALA 194.A N ALA 190.A O no hydrogen 2.952 N/A VAL 195.A N LEU 191.A O no hydrogen 2.853 N/A ARG 196.A N ASP 192.A O no hydrogen 3.003 N/A ARG 196.A NE GLU 193.A OE1 no hydrogen 3.353 N/A ARG 196.A NH1 LEU 238.A O no hydrogen 2.701 N/A ARG 196.A NH2 GLU 193.A OE1 no hydrogen 2.926 N/A ARG 197.A N GLU 193.A O no hydrogen 2.976 N/A ARG 197.A NH2 GLU 25.A O no hydrogen 2.993 N/A SER 198.A N ALA 194.A O no hydrogen 2.998 N/A SER 198.A OG ILE 15.A O no hydrogen 2.722 N/A VAL 199.A N VAL 195.A O no hydrogen 2.972 N/A ALA 200.A N ARG 196.A O no hydrogen 2.941 N/A TYR 201.A N ARG 197.A O no hydrogen 2.827 N/A TYR 201.A OH GLU 208.A OE2 no hydrogen 2.530 N/A ALA 202.A N SER 198.A O no hydrogen 3.117 N/A LEU 203.A N VAL 199.A O no hydrogen 2.918 N/A ALA 204.A N ALA 200.A O no hydrogen 3.046 N/A HIS 205.A N TYR 201.A O no hydrogen 2.859 N/A GLU 208.A N HIS 205.A O no hydrogen 2.994 N/A ALA 209.A N PRO 206.A O no hydrogen 3.040 N/A LEU 210.A N GLU 207.A O no hydrogen 3.170 N/A MET 213.A N ALA 209.A O no hydrogen 2.933 N/A ARG 214.A N LEU 210.A O no hydrogen 2.938 N/A ARG 214.A NE ASP 222.A OD1 no hydrogen 2.831 N/A ARG 214.A NH2 ASP 222.A OD1 no hydrogen 3.433 N/A ARG 214.A NH2 ASP 222.A OD2 no hydrogen 2.420 N/A ALA 215.A N ASP 211.A O no hydrogen 2.938 N/A HIS 216.A N MET 213.A O no hydrogen 3.180 N/A ALA 217.A N ARG 214.A O no hydrogen 3.051 N/A GLN 218.A NE2 ALA 215.A O no hydrogen 3.263 N/A LEU 220.A N ALA 217.A O no hydrogen 2.999 N/A VAL 224.A N SER 221.A OG no hydrogen 3.199 N/A ILE 225.A N SER 221.A O no hydrogen 2.941 N/A TRP 226.A N ASP 222.A O no hydrogen 2.853 N/A ALA 227.A N GLU 223.A O no hydrogen 3.052 N/A HIS 228.A N VAL 224.A O no hydrogen 2.857 N/A HIS 228.A NE2 ASN 11.A OD1 no hydrogen 3.142 N/A VAL 229.A N ILE 225.A O no hydrogen 3.104 N/A HIS 230.A N TRP 226.A O no hydrogen 3.074 N/A THR 231.A N ALA 227.A O no hydrogen 2.939 N/A THR 231.A OG1 ALA 227.A O no hydrogen 3.019 N/A TYR 232.A N HIS 228.A O no hydrogen 2.977 N/A TYR 232.A OH HIS 143.A O no hydrogen 2.728 N/A VAL 233.A N VAL 229.A O no hydrogen 2.999 N/A ASN 234.A N SER 237.A OG no hydrogen 3.111 N/A ASN 234.A ND2 LEU 75.A O no hydrogen 2.910 N/A PHE 236.A N ASN 234.A OD1 no hydrogen 2.898 N/A SER 237.A N ASN 234.A O no hydrogen 2.881 N/A SER 237.A OG GLY 73.A O no hydrogen 3.232 N/A SER 237.A OG ASN 234.A O no hydrogen 3.352 N/A LEU 238.A N ALA 235.A O no hydrogen 2.993 N/A ASP 239.A N ALA 235.A O no hydrogen 3.198 N/A VAL 240.A N ARG 70.A O no hydrogen 2.875 N/A GLY 241.A N ASP 239.A OD2 no hydrogen 2.884 N/A GLU 245.A N GLY 241.A O no hydrogen 2.978 N/A ARG 246.A N GLU 242.A O no hydrogen 3.161 N/A ARG 246.A NE GLU 242.A OE2 no hydrogen 2.874 N/A ARG 246.A NH2 GLU 242.A OE1 no hydrogen 2.831 N/A ARG 246.A NH2 GLU 242.A OE2 no hydrogen 3.459 N/A ALA 247.A N GLU 243.A O no hydrogen 2.885 N/A VAL 248.A N GLY 244.A O no hydrogen 2.895 N/A ALA 249.A N GLU 245.A O no hydrogen 3.013 N/A ARG 250.A N ARG 246.A O no hydrogen 2.952 N/A ARG 250.A NE GLU 254.A OE1 no hydrogen 3.003 N/A ARG 250.A NH2 GLU 254.A OE1 no hydrogen 3.228 N/A LEU 251.A N ALA 247.A O no hydrogen 2.901 N/A PHE 252.A N VAL 248.A O no hydrogen 2.947 N/A ALA 253.A N ALA 249.A O no hydrogen 2.788 N/A GLU 254.A N ARG 250.A O no hydrogen 2.925 N/A ALA 255.A N LEU 251.A O no hydrogen 3.022 N/A GLU 256.A N PHE 252.A O no hydrogen 2.775 N/A ALA 257.A N ALA 253.A O no hydrogen 2.946 N/A ARG 258.A N ALA 255.A O no hydrogen 3.047 N/A ARG 258.A NH1 GLU 254.A O no hydrogen 2.935 N/A ARG 258.A NH1 GLU 254.A OE2 no hydrogen 2.844 N/A GLY 259.A N GLU 256.A O no hydrogen 3.047 N/A LEU 260.A N ALA 255.A O no hydrogen 2.998 N/A ARG 266.A N SER 264.A OG no hydrogen 3.266 N/A ARG 266.A NE ASP 64.A OD1 no hydrogen 2.934 N/A VAL 270.A N ALA 68.A O no hydrogen 3.009 N/A