Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q7a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 37.A OD2 no hydrogen 2.616 N/A MET 5.A N ASP 37.A OD2 no hydrogen 2.896 N/A GLN 7.A N PRO 4.A O no hydrogen 2.930 N/A ARG 8.A N MET 5.A O no hydrogen 3.320 N/A ARG 8.A NE ILE 3.A O no hydrogen 3.099 N/A ARG 8.A NH2 ILE 3.A O no hydrogen 2.762 N/A TRP 11.A N ARG 8.A O no hydrogen 3.205 N/A VAL 14.A N TRP 11.A O no hydrogen 2.978 N/A ILE 17.A N ASP 40.A O no hydrogen 2.970 N/A GLN 19.A NE2 ASP 21.A OD1 no hydrogen 2.771 N/A GLN 19.A NE2 TYR 31.A OH no hydrogen 3.038 N/A TYR 31.A N ILE 29.A O no hydrogen 2.884 N/A GLU 34.A N GLU 34.A OE2 no hydrogen 2.785 N/A TYR 35.A N SER 32.A OG no hydrogen 3.177 N/A TYR 35.A OH HIS 69.A ND1 no hydrogen 2.980 N/A LYS 36.A N SER 32.A O no hydrogen 3.041 N/A LYS 36.A NZ ASP 40.A OD2 no hydrogen 2.922 N/A ASP 37.A N GLU 33.A O no hydrogen 3.087 N/A ALA 38.A N GLU 34.A O no hydrogen 3.011 N/A MET 39.A N TYR 35.A O no hydrogen 2.926 N/A ASP 40.A N LYS 36.A O no hydrogen 2.833 N/A TYR 41.A N ASP 37.A O no hydrogen 3.196 N/A PHE 42.A N ALA 38.A O no hydrogen 2.859 N/A ARG 43.A N MET 39.A O no hydrogen 2.882 N/A ARG 43.A NE ILE 17.A O no hydrogen 2.735 N/A ARG 43.A NH1 GLN 19.A OE1 no hydrogen 3.077 N/A ARG 43.A NH2 ASP 40.A OD1 no hydrogen 2.768 N/A ILE 45.A N TYR 41.A O no hydrogen 2.876 N/A ALA 46.A N PHE 42.A O no hydrogen 2.737 N/A ALA 47.A N ARG 43.A O no hydrogen 3.085 N/A LYS 48.A N ALA 44.A O no hydrogen 3.237 N/A LYS 48.A NZ GLU 50.A OE1 no hydrogen 2.868 N/A GLU 49.A N ALA 46.A O no hydrogen 3.109 N/A GLU 50.A N ILE 45.A O no hydrogen 3.108 N/A SER 52.A OG GLU 50.A OE2 no hydrogen 2.575 N/A ARG 54.A NE GLU 50.A OE2 no hydrogen 2.707 N/A ARG 54.A NH1 SER 10.A O no hydrogen 2.781 N/A ARG 54.A NH1 ASP 13.A OD1 no hydrogen 2.786 N/A ARG 54.A NH2 ASP 13.A OD2 no hydrogen 2.837 N/A ARG 54.A NH2 GLU 50.A OE1 no hydrogen 2.913 N/A ARG 54.A NH2 GLU 50.A OE2 no hydrogen 3.460 N/A ALA 55.A N SER 52.A OG no hydrogen 3.281 N/A LEU 56.A N SER 52.A O no hydrogen 3.047 N/A GLU 57.A N GLU 53.A O no hydrogen 2.899 N/A LEU 58.A N ARG 54.A O no hydrogen 2.958 N/A THR 59.A N ALA 55.A O no hydrogen 3.077 N/A THR 59.A OG1 LEU 56.A O no hydrogen 2.643 N/A GLU 60.A N LEU 56.A O no hydrogen 3.285 N/A ILE 61.A N GLU 57.A O no hydrogen 3.158 N/A ILE 62.A N LEU 58.A O no hydrogen 3.081 N/A VAL 63.A N THR 59.A O no hydrogen 3.017 N/A ARG 64.A N GLU 60.A O no hydrogen 3.131 N/A ARG 64.A NE GLU 60.A OE2 no hydrogen 2.839 N/A ARG 64.A NH1 GLN 100.A OE1 no hydrogen 2.966 N/A ARG 64.A NH2 GLU 60.A OE2 no hydrogen 3.032 N/A ASN 66.A N ILE 62.A O no hydrogen 2.780 N/A ALA 68.A N ASN 66.A OD1 no hydrogen 3.225 N/A HIS 69.A N ASN 66.A O no hydrogen 3.158 N/A TRP 73.A N HIS 69.A O no hydrogen 3.176 N/A TRP 73.A NE1 PRO 67.A O no hydrogen 2.839 N/A GLN 74.A N TYR 70.A O no hydrogen 2.943 N/A TYR 75.A N THR 71.A O no hydrogen 3.054 N/A TYR 75.A OH GLU 50.A O no hydrogen 2.636 N/A ARG 76.A N VAL 72.A O no hydrogen 2.794 N/A ARG 76.A NE GLU 90.A OE2 no hydrogen 2.693 N/A ARG 76.A NH1 LEU 56.A O no hydrogen 3.092 N/A ARG 76.A NH1 THR 59.A OG1 no hydrogen 2.991 N/A ARG 76.A NH2 GLU 90.A OE1 no hydrogen 2.913 N/A ARG 76.A NH2 GLU 90.A OE2 no hydrogen 3.532 N/A PHE 77.A N TRP 73.A O no hydrogen 3.085 N/A SER 78.A N GLN 74.A O no hydrogen 3.248 N/A SER 78.A OG GLN 74.A O no hydrogen 3.283 N/A LEU 79.A N TYR 75.A O no hydrogen 2.970 N/A LEU 80.A N ARG 76.A O no hydrogen 2.949 N/A THR 81.A N PHE 77.A O no hydrogen 3.133 N/A THR 81.A OG1 PHE 77.A O no hydrogen 3.413 N/A THR 81.A OG1 SER 78.A O no hydrogen 3.016 N/A SER 82.A N SER 78.A O no hydrogen 2.950 N/A SER 82.A OG SER 78.A O no hydrogen 2.776 N/A LEU 83.A N LEU 79.A O no hydrogen 2.967 N/A ASN 84.A N THR 81.A O no hydrogen 3.368 N/A LYS 85.A N LEU 80.A O no hydrogen 2.928 N/A LYS 85.A NZ GLU 53.A OE1 no hydrogen 3.382 N/A LYS 85.A NZ GLU 53.A OE2 no hydrogen 2.908 N/A SER 86.A OG GLU 88.A OE1 no hydrogen 3.519 N/A ASP 89.A N SER 86.A OG no hydrogen 3.206 N/A GLU 90.A N SER 86.A O no hydrogen 3.247 N/A LEU 91.A N LEU 87.A O no hydrogen 2.973 N/A ARG 92.A N GLU 88.A O no hydrogen 3.177 N/A ARG 92.A NH2 ASP 89.A OD1 no hydrogen 2.706 N/A LEU 93.A N ASP 89.A O no hydrogen 3.077 N/A MET 94.A N GLU 90.A O no hydrogen 2.941 N/A ASN 95.A N LEU 91.A O no hydrogen 2.964 N/A GLU 96.A N ARG 92.A O no hydrogen 3.103 N/A PHE 97.A N LEU 93.A O no hydrogen 2.902 N/A ALA 98.A N MET 94.A O no hydrogen 3.226 N/A VAL 99.A N ASN 95.A O no hydrogen 3.203 N/A GLN 100.A N GLU 96.A O no hydrogen 2.823 N/A ASN 101.A N ALA 98.A O no hydrogen 3.162 N/A LEU 102.A N PHE 97.A O no hydrogen 2.746 N/A SER 104.A OG PRO 67.A O no hydrogen 2.752 N/A VAL 107.A N SER 104.A OG no hydrogen 3.236 N/A TRP 108.A N SER 104.A O no hydrogen 3.378 N/A HIS 109.A N TYR 105.A O no hydrogen 2.878 N/A HIS 110.A N GLN 106.A O no hydrogen 2.822 N/A HIS 110.A NE2 GLU 90.A OE2 no hydrogen 2.884 N/A ARG 111.A N VAL 107.A O no hydrogen 2.969 N/A ARG 111.A NE GLU 126.A OE2 no hydrogen 2.738 N/A ARG 111.A NH1 ASN 95.A OD1 no hydrogen 2.856 N/A ARG 111.A NH2 ASN 95.A OD1 no hydrogen 2.666 N/A ARG 111.A NH2 GLU 126.A OE1 no hydrogen 3.107 N/A LEU 112.A N TRP 108.A O no hydrogen 3.089 N/A LEU 113.A N HIS 109.A O no hydrogen 2.931 N/A LEU 114.A N HIS 110.A O no hydrogen 2.974 N/A LEU 115.A N ARG 111.A O no hydrogen 3.022 N/A ASP 116.A N LEU 112.A O no hydrogen 2.891 N/A ARG 117.A N LEU 113.A O no hydrogen 3.049 N/A ILE 118.A N LEU 114.A O no hydrogen 2.797 N/A SER 119.A N LEU 115.A O no hydrogen 2.887 N/A VAL 124.A N ASP 122.A OD1 no hydrogen 3.158 N/A ILE 127.A N PRO 123.A O no hydrogen 3.006 N/A GLU 128.A N VAL 124.A O no hydrogen 2.825 N/A TYR 129.A N SER 125.A O no hydrogen 2.978 N/A ILE 130.A N GLU 126.A O no hydrogen 3.010 N/A HIS 131.A N ILE 127.A O no hydrogen 3.038 N/A HIS 131.A NE2 GLU 168.A OE2 no hydrogen 2.772 N/A GLY 132.A N GLU 128.A O no hydrogen 3.110 N/A SER 133.A N TYR 129.A O no hydrogen 2.900 N/A SER 133.A OG ILE 130.A O no hydrogen 2.845 N/A LEU 134.A N ILE 130.A O no hydrogen 3.254 N/A LEU 134.A N HIS 131.A O no hydrogen 3.234 N/A LEU 135.A N GLY 132.A O no hydrogen 3.208 N/A ASP 137.A N LEU 134.A O no hydrogen 3.169 N/A ASN 140.A N ASP 137.A O no hydrogen 3.276 N/A ASN 140.A ND2 ASP 137.A OD1 no hydrogen 3.139 N/A THR 143.A N ASN 140.A OD1 no hydrogen 2.942 N/A THR 143.A OG1 ASN 140.A OD1 no hydrogen 2.828 N/A TRP 144.A N ASN 140.A O no hydrogen 3.192 N/A TRP 144.A NE1 PRO 138.A O no hydrogen 2.818 N/A ALA 145.A N TYR 141.A O no hydrogen 2.981 N/A TYR 146.A N HIS 142.A O no hydrogen 2.880 N/A TYR 146.A OH GLU 126.A OE2 no hydrogen 2.646 N/A LEU 147.A N THR 143.A O no hydrogen 2.926 N/A HIS 148.A N TRP 144.A O no hydrogen 3.108 N/A TRP 149.A N ALA 145.A O no hydrogen 3.030 N/A LEU 150.A N TYR 146.A O no hydrogen 2.804 N/A TYR 151.A N LEU 147.A O no hydrogen 3.151 N/A TYR 151.A OH GLU 168.A OE1 no hydrogen 2.506 N/A SER 152.A N HIS 148.A O no hydrogen 2.978 N/A SER 152.A OG HIS 148.A O no hydrogen 2.693 N/A SER 152.A OG TYR 191.A OH no hydrogen 2.767 N/A HIS 153.A N TRP 149.A O no hydrogen 2.694 N/A PHE 154.A N LEU 150.A O no hydrogen 3.091 N/A SER 155.A N TYR 151.A O no hydrogen 3.064 N/A SER 155.A OG TYR 151.A O no hydrogen 2.970 N/A SER 155.A OG SER 152.A O no hydrogen 2.870 N/A THR 156.A N SER 152.A O no hydrogen 3.261 N/A THR 156.A OG1 HIS 153.A O no hydrogen 2.642 N/A GLY 158.A N SER 155.A O no hydrogen 2.898 N/A ARG 159.A N PHE 154.A O no hydrogen 2.965 N/A ARG 159.A NH1 SER 119.A O no hydrogen 2.988 N/A ARG 159.A NH1 SER 119.A OG no hydrogen 2.820 N/A ARG 159.A NH1 PRO 120.A O no hydrogen 2.926 N/A GLN 164.A N SER 161.A OG no hydrogen 3.164 N/A GLN 164.A NE2 TYR 151.A OH no hydrogen 2.866 N/A TRP 165.A N SER 161.A O no hydrogen 3.005 N/A GLY 166.A N GLU 162.A O no hydrogen 2.883 N/A SER 167.A N ALA 163.A O no hydrogen 2.970 N/A SER 167.A OG ALA 163.A O no hydrogen 3.519 N/A SER 167.A OG GLN 164.A O no hydrogen 3.053 N/A GLU 168.A N GLN 164.A O no hydrogen 3.107 N/A LEU 169.A N TRP 165.A O no hydrogen 3.074 N/A ASP 170.A N GLY 166.A O no hydrogen 3.041 N/A TRP 171.A N SER 167.A O no hydrogen 2.879 N/A CYS 172.A N GLU 168.A O no hydrogen 2.952 N/A CYS 172.A SG ALA 185.A O no hydrogen 3.301 N/A ASN 173.A N LEU 169.A O no hydrogen 2.868 N/A GLU 174.A N ASP 170.A O no hydrogen 3.123 N/A MET 175.A N TRP 171.A O no hydrogen 3.050 N/A LEU 176.A N CYS 172.A O no hydrogen 3.085 N/A ARG 177.A N ASN 173.A O no hydrogen 2.901 N/A ARG 177.A NE GLU 174.A OE1 no hydrogen 3.071 N/A ARG 177.A NE GLU 174.A OE2 no hydrogen 3.092 N/A ARG 177.A NH2 GLU 174.A OE2 no hydrogen 2.595 N/A VAL 178.A N GLU 174.A O no hydrogen 2.876 N/A ASP 179.A N MET 175.A O no hydrogen 3.018 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 2.976 N/A ASN 182.A N ASP 179.A O no hydrogen 3.103 N/A ASN 182.A ND2 PRO 138.A O no hydrogen 3.179 N/A ASN 183.A ND2 SER 225.A OG no hydrogen 2.756 N/A SER 184.A N ASN 182.A OD1 no hydrogen 3.095 N/A ALA 185.A N ASN 182.A O no hydrogen 3.112 N/A TRP 186.A N ASN 182.A O no hydrogen 3.253 N/A TRP 186.A NE1 GLY 180.A O no hydrogen 2.756 N/A GLY 187.A N ASN 183.A O no hydrogen 3.003 N/A TRP 188.A N SER 184.A O no hydrogen 3.049 N/A TRP 188.A NE1 GLU 168.A OE2 no hydrogen 2.849 N/A ARG 189.A N ALA 185.A O no hydrogen 2.877 N/A ARG 189.A NE GLU 209.A OE2 no hydrogen 2.817 N/A ARG 189.A NH2 GLU 209.A OE1 no hydrogen 2.875 N/A TRP 190.A N TRP 186.A O no hydrogen 3.008 N/A TYR 191.A N GLY 187.A O no hydrogen 3.222 N/A TYR 191.A OH SER 152.A OG no hydrogen 2.767 N/A LEU 192.A N TRP 188.A O no hydrogen 3.042 N/A ARG 193.A N ARG 189.A O no hydrogen 2.816 N/A ARG 193.A NE GLU 209.A OE1 no hydrogen 2.752 N/A ARG 193.A NH2 GLU 209.A OE1 no hydrogen 3.363 N/A VAL 194.A N TRP 190.A O no hydrogen 2.777 N/A SER 195.A N TRP 190.A O no hydrogen 3.028 N/A ARG 196.A N TYR 191.A O no hydrogen 3.041 N/A ARG 196.A NE LEU 192.A O no hydrogen 2.941 N/A ALA 199.A N ARG 196.A O no hydrogen 3.085 N/A SER 202.A OG GLU 200.A OE1 no hydrogen 3.517 N/A SER 202.A OG GLU 200.A OE2 no hydrogen 2.956 N/A SER 205.A OG GLU 200.A O no hydrogen 2.677 N/A LEU 206.A N SER 202.A O no hydrogen 2.968 N/A GLN 207.A N SER 203.A O no hydrogen 3.113 N/A ASP 208.A N ARG 204.A O no hydrogen 3.010 N/A GLU 209.A N SER 205.A O no hydrogen 3.096 N/A LEU 210.A N LEU 206.A O no hydrogen 3.024 N/A ILE 211.A N GLN 207.A O no hydrogen 3.098 N/A TYR 212.A N ASP 208.A O no hydrogen 3.050 N/A ILE 213.A N GLU 209.A O no hydrogen 2.939 N/A LEU 214.A N LEU 210.A O no hydrogen 2.980 N/A LYS 215.A N ILE 211.A O no hydrogen 3.008 N/A SER 216.A N TYR 212.A O no hydrogen 3.078 N/A SER 216.A OG TYR 212.A O no hydrogen 2.821 N/A ILE 217.A N ILE 213.A O no hydrogen 2.935 N/A HIS 218.A N LEU 214.A O no hydrogen 2.791 N/A HIS 218.A ND1 TYR 251.A OH no hydrogen 2.761 N/A HIS 218.A NE2 PRO 255.A O no hydrogen 2.779 N/A LEU 219.A N LYS 215.A O no hydrogen 3.095 N/A ILE 220.A N SER 216.A O no hydrogen 3.061 N/A ASN 223.A N ILE 220.A O no hydrogen 2.980 N/A ASN 223.A ND2 GLY 180.A O no hydrogen 2.729 N/A SER 225.A N ASN 223.A OD1 no hydrogen 3.271 N/A ALA 226.A N ASN 223.A O no hydrogen 3.067 N/A TRP 227.A N ASN 223.A O no hydrogen 3.318 N/A TRP 227.A NE1 PRO 221.A O no hydrogen 2.682 N/A ASN 228.A N VAL 224.A O no hydrogen 2.944 N/A TYR 229.A N SER 225.A O no hydrogen 3.103 N/A TYR 229.A OH GLU 209.A OE2 no hydrogen 2.701 N/A LEU 230.A N ALA 226.A O no hydrogen 3.012 N/A ARG 231.A N TRP 227.A O no hydrogen 2.967 N/A ARG 231.A NH1 ASP 277.A OD2 no hydrogen 2.803 N/A ARG 231.A NH2 ASP 277.A OD2 no hydrogen 2.781 N/A GLY 232.A N ASN 228.A O no hydrogen 2.883 N/A PHE 233.A N TYR 229.A O no hydrogen 2.819 N/A LEU 234.A N LEU 230.A O no hydrogen 3.033 N/A LYS 235.A N ARG 231.A O no hydrogen 3.163 N/A HIS 236.A N GLY 232.A O no hydrogen 3.011 N/A PHE 237.A N PHE 233.A O no hydrogen 3.201 N/A SER 238.A N LYS 235.A O no hydrogen 3.333 N/A LEU 239.A N LEU 234.A O no hydrogen 2.780 N/A LEU 241.A N GLU 281.A OE1 no hydrogen 2.787 N/A VAL 242.A N GLU 281.A OE2 no hydrogen 3.226 N/A ILE 244.A N LEU 241.A O no hydrogen 3.162 N/A LEU 245.A N VAL 242.A O no hydrogen 3.014 N/A ALA 247.A N ILE 244.A O no hydrogen 2.970 N/A ILE 248.A N LEU 245.A O no hydrogen 2.952 N/A LEU 249.A N LEU 245.A O no hydrogen 2.815 N/A TYR 251.A N ILE 248.A O no hydrogen 2.911 N/A TYR 251.A OH HIS 218.A ND1 no hydrogen 2.761 N/A THR 252.A N LEU 249.A O no hydrogen 3.015 N/A THR 252.A OG1 LEU 249.A O no hydrogen 2.639 N/A THR 264.A OG1 PRO 261.A O no hydrogen 2.738 N/A VAL 268.A N TYR 251.A O no hydrogen 2.908 N/A ALA 271.A N VAL 268.A O no hydrogen 2.882 N/A LEU 272.A N VAL 268.A O no hydrogen 3.162 N/A GLU 273.A N PRO 269.A O no hydrogen 3.067 N/A TYR 274.A N LEU 270.A O no hydrogen 3.090 N/A TYR 274.A OH LEU 241.A O no hydrogen 2.739 N/A LEU 275.A N ALA 271.A O no hydrogen 2.961 N/A ALA 276.A N LEU 272.A O no hydrogen 2.829 N/A ASP 277.A N GLU 273.A O no hydrogen 2.913 N/A SER 278.A N TYR 274.A O no hydrogen 2.881 N/A SER 278.A OG LEU 275.A O no hydrogen 2.641 N/A PHE 279.A N LEU 275.A O no hydrogen 3.107 N/A ILE 280.A N ALA 276.A O no hydrogen 3.208 N/A GLU 281.A N ASP 277.A O no hydrogen 3.081 N/A GLN 282.A N SER 278.A O no hydrogen 3.163 N/A ASN 283.A N ILE 280.A O no hydrogen 2.997 N/A ARG 284.A N PHE 279.A O no hydrogen 2.811 N/A ARG 284.A NE ASP 287.A OD2 no hydrogen 2.802 N/A ARG 284.A NH1 GLN 282.A OE1 no hydrogen 2.993 N/A ARG 284.A NH2 ASP 287.A OD2 no hydrogen 3.023 N/A ALA 288.A N ARG 284.A O no hydrogen 3.150 N/A ALA 289.A N VAL 285.A O no hydrogen 2.986 N/A LYS 290.A N ASP 286.A O no hydrogen 3.107 N/A VAL 291.A N ASP 287.A O no hydrogen 3.389 N/A PHE 292.A N ALA 288.A O no hydrogen 3.113 N/A GLU 293.A N ALA 289.A O no hydrogen 2.964 N/A LYS 294.A N LYS 290.A O no hydrogen 3.180 N/A LEU 295.A N VAL 291.A O no hydrogen 2.935 N/A SER 296.A N PHE 292.A O no hydrogen 2.924 N/A SER 296.A OG ALA 304.A O no hydrogen 2.640 N/A SER 297.A N GLU 293.A O no hydrogen 2.877 N/A SER 297.A OG GLU 293.A O no hydrogen 2.904 N/A SER 297.A OG GLU 293.A OE2 no hydrogen 2.955 N/A GLU 298.A N LYS 294.A O no hydrogen 2.808 N/A TYR 299.A N LYS 294.A O no hydrogen 2.967 N/A ASP 300.A N LEU 295.A O no hydrogen 2.796 N/A GLN 301.A NE2 GLU 298.A O no hydrogen 3.198 N/A ARG 303.A N ASP 300.A O no hydrogen 3.163 N/A ARG 303.A NE ASP 300.A OD2 no hydrogen 2.773 N/A ARG 303.A NH2 ASP 300.A OD1 no hydrogen 2.913 N/A ALA 304.A N GLN 301.A O no hydrogen 2.955 N/A TRP 307.A N ARG 303.A O no hydrogen 3.007 N/A TRP 307.A NE1 ASP 300.A OD2 no hydrogen 2.792 N/A GLU 308.A N ALA 304.A O no hydrogen 3.134 N/A PHE 309.A N GLY 305.A O no hydrogen 3.010 N/A ARG 310.A N TYR 306.A O no hydrogen 3.024 N/A ARG 310.A NH2 ASP 277.A OD1 no hydrogen 2.757 N/A ARG 311.A N TRP 307.A O no hydrogen 2.856 N/A ARG 312.A N GLU 308.A O no hydrogen 2.834 N/A ARG 312.A NE GLU 308.A OE2 no hydrogen 2.745 N/A ARG 312.A NH2 GLU 308.A OE2 no hydrogen 3.401 N/A GLU 313.A N PHE 309.A O no hydrogen 3.024 N/A CYS 314.A N ARG 311.A O no hydrogen 3.203 N/A CYS 314.A SG ARG 310.A O no hydrogen 3.443 N/A