Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.850 N/A ARG 5.A N GLU 103.A O no hydrogen 2.969 N/A ARG 5.A NE GLU 103.A OE2 no hydrogen 2.954 N/A ARG 5.A NH1 GLU 103.A OE2 no hydrogen 2.599 N/A ARG 5.A NH2 GLU 15.A OE2 no hydrogen 3.171 N/A ARG 6.A N GLU 15.A O no hydrogen 2.913 N/A ARG 6.A NE SER 14.A O no hydrogen 2.599 N/A ARG 6.A NH2 GLN 100.A OE1 no hydrogen 2.817 N/A VAL 7.A N ALA 101.A O no hydrogen 2.945 N/A SER 8.A OG GLU 87.A OE2 no hydrogen 2.888 N/A PHE 9.A N GLU 87.A OE1 no hydrogen 2.705 N/A SER 14.A OG THR 16.A OG1.B no hydrogen 3.122 N/A THR 16.A N SER 14.A OG no hydrogen 3.241 N/A THR 16.A OG1.B SER 14.A OG no hydrogen 3.122 N/A SER 19.A OG PRO 20.A O no hydrogen 2.779 N/A TYR 22.A N SER 19.A O no hydrogen 3.103 N/A ASP 23.A N GLN 33.A OE1 no hydrogen 2.894 N/A SER 25.A N ASP 23.A OD1 no hydrogen 2.989 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.838 N/A SER 25.A OG ASP 23.A OD2 no hydrogen 3.330 N/A ARG 26.A N ASP 23.A O no hydrogen 3.084 N/A ARG 26.A NE GLN 33.A OE1 no hydrogen 3.246 N/A ARG 26.A NH2 GLN 33.A OE1 no hydrogen 2.892 N/A PHE 30.A N GLU 104.A OE1 no hydrogen 2.891 N/A GLN 32.A N SER 29.A OG no hydrogen 2.952 N/A GLN 33.A N SER 29.A O no hydrogen 3.004 N/A GLN 33.A NE2 ASP 23.A O no hydrogen 3.106 N/A GLN 33.A NE2 ARG 26.A O no hydrogen 3.659 N/A GLN 33.A NE2 GLU 28.A O no hydrogen 2.904 N/A SER 34.A N PHE 30.A O no hydrogen 2.931 N/A SER 34.A OG PHE 30.A O no hydrogen 2.849 N/A GLN 36.A N ARG 53.A O no hydrogen 2.956 N/A ARG 37.A NH1 GLN 32.A O no hydrogen 2.971 N/A ARG 37.A NH2 PHE 31.A O no hydrogen 2.879 N/A LEU 38.A N LYS 51.A O no hydrogen 2.898 N/A ARG 40.A NH1 GLU 48.A OE2 no hydrogen 2.848 N/A LEU 41.A N VAL 49.A O no hydrogen 2.785 N/A GLY 42.A N VAL 49.A O no hydrogen 3.340 N/A GLY 44.A N GLY 47.A O no hydrogen 3.007 N/A GLY 47.A N GLY 44.A O no hydrogen 3.051 N/A GLU 48.A N ARG 65.A O no hydrogen 3.048 N/A VAL 49.A N GLY 42.A O no hydrogen 2.895 N/A PHE 50.A N VAL 63.A O no hydrogen 2.846 N/A LYS 51.A N SER 39.A O no hydrogen 2.890 N/A VAL 52.A N TYR 61.A O no hydrogen 2.959 N/A ARG 53.A N GLN 36.A O no hydrogen 2.845 N/A ARG 53.A NH1 GLY 58.A O no hydrogen 2.858 N/A SER 54.A N ARG 59.A O no hydrogen 2.769 N/A SER 54.A OG ASP 57.A OD1 no hydrogen 3.435 N/A LYS 55.A N SER 34.A O no hydrogen 3.067 N/A LYS 55.A NZ GLN 33.A O no hydrogen 2.716 N/A GLU 56.A N SER 54.A OG no hydrogen 3.090 N/A GLY 58.A N SER 54.A O no hydrogen 2.755 N/A ARG 59.A N ASP 57.A OD1 no hydrogen 2.952 N/A ARG 59.A NH1.B TYR 61.A OH no hydrogen 2.933 N/A TYR 61.A N VAL 52.A O no hydrogen 3.047 N/A TYR 61.A OH ASP 57.A OD2 no hydrogen 2.605 N/A ALA 62.A N THR 112.A O no hydrogen 3.007 N/A VAL 63.A N PHE 50.A O no hydrogen 2.846 N/A LYS 64.A N LEU 110.A O no hydrogen 2.844 N/A LYS 64.A NZ GLU 82.A OE1 no hydrogen 2.883 N/A ARG 65.A N GLU 48.A O no hydrogen 2.899 N/A ARG 65.A NE.A GLU 48.A OE1 no hydrogen 3.263 N/A ARG 65.A NE.B SER 66.A O no hydrogen 3.034 N/A ARG 65.A NH1.A GLU 48.A OE1 no hydrogen 2.804 N/A ARG 65.A NH1.B SER 66.A O no hydrogen 2.957 N/A ARG 65.A NH1.B MET 67.A O no hydrogen 3.385 N/A SER 66.A N LEU 108.A O no hydrogen 2.972 N/A MET 67.A N TYR 46.A O no hydrogen 3.112 N/A PHE 70.A N GLY 106.A O no hydrogen 3.003 N/A ARG 71.A N ASP 75.A OD2 no hydrogen 2.939 N/A ARG 76.A N GLY 72.A O no hydrogen 3.005 N/A ARG 76.A NE GLU 103.A OE1 no hydrogen 3.112 N/A ARG 76.A NH2 GLU 103.A OE2 no hydrogen 2.736 N/A ALA 77.A N PRO 73.A O no hydrogen 2.916 N/A ARG 78.A N LYS 74.A O no hydrogen 2.962 N/A ARG 78.A NH2 ASP 75.A OD1 no hydrogen 2.996 N/A LYS 79.A N ASP 75.A O no hydrogen 3.055 N/A LYS 79.A NZ ASP 75.A OD2 no hydrogen 3.013 N/A LEU 80.A N ARG 76.A O no hydrogen 2.879 N/A ALA 81.A N ALA 77.A O no hydrogen 2.980 N/A GLU 82.A N LYS 79.A O no hydrogen 3.236 N/A VAL 83.A N LEU 80.A O no hydrogen 2.931 N/A GLY 84.A N LEU 80.A O no hydrogen 3.261 N/A SER 85.A N ALA 81.A O no hydrogen 2.786 N/A SER 85.A OG ALA 81.A O no hydrogen 3.158 N/A HIS 86.A N GLU 82.A O no hydrogen 2.999 N/A GLU 87.A N VAL 83.A O no hydrogen 2.977 N/A LYS 88.A N GLY 84.A O no hydrogen 2.926 N/A LYS 88.A NZ GLU 182.A OE1 no hydrogen 2.807 N/A VAL 89.A N SER 85.A O no hydrogen 3.054 N/A GLY 90.A N HIS 86.A O no hydrogen 3.230 N/A CYS 94.A N HIS 92.A ND1 no hydrogen 3.055 N/A CYS 95.A N HIS 92.A O no hydrogen 3.045 N/A VAL 96.A N LEU 174.A O no hydrogen 2.949 N/A ARG 97.A N GLU 113.A OE2 no hydrogen 2.805 N/A ARG 97.A NH1 GLU 99.A OE1 no hydrogen 2.652 N/A ARG 97.A NH2 GLU 99.A OE1 no hydrogen 3.311 N/A GLU 99.A N GLN 111.A O no hydrogen 2.791 N/A GLN 100.A N GLN 111.A O no hydrogen 3.295 N/A GLN 100.A NE2 GLN 111.A OE1 no hydrogen 2.791 N/A TRP 102.A N TYR 109.A O no hydrogen 3.109 N/A GLU 103.A N ARG 5.A O no hydrogen 2.849 N/A GLU 104.A N ILE 107.A O no hydrogen 3.062 N/A GLY 105.A N LEU 2.A O no hydrogen 3.278 N/A ILE 107.A N GLU 104.A O no hydrogen 2.977 N/A LEU 108.A N SER 66.A OG no hydrogen 2.947 N/A TYR 109.A N TRP 102.A O no hydrogen 2.906 N/A LEU 110.A N LYS 64.A O no hydrogen 2.850 N/A GLN 111.A N GLN 100.A O no hydrogen 2.937 N/A THR 112.A N ALA 62.A O no hydrogen 2.865 N/A THR 112.A OG1 GLU 113.A O no hydrogen 3.546 N/A GLU 113.A N ARG 97.A O no hydrogen 3.007 N/A CYS 115.A SG GLU 113.A O no hydrogen 3.959 N/A GLY 116.A N LEU 166.A O no hydrogen 2.840 N/A SER 118.A N GLN 121.A OE1 no hydrogen 3.039 N/A LEU 119.A N ILE 164.A O no hydrogen 2.751 N/A GLN 120.A N PRO 161.A O no hydrogen 3.247 N/A GLN 120.A NE2.B GLU 124.A OE2 no hydrogen 3.365 N/A GLN 121.A N SER 118.A OG no hydrogen 2.938 N/A HIS 122.A N SER 118.A O no hydrogen 2.930 N/A HIS 122.A NE2 GLN 134.A OE1 no hydrogen 2.931 N/A CYS 123.A N LEU 119.A O no hydrogen 2.977 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.417 N/A GLU 124.A N GLN 120.A O no hydrogen 2.991 N/A ALA 125.A N GLN 121.A O no hydrogen 2.946 N/A TRP 126.A N HIS 122.A O no hydrogen 2.945 N/A GLY 127.A N CYS 123.A O no hydrogen 2.986 N/A SER 129.A OG.A ALA 219.A O no hydrogen 3.523 N/A LEU 130.A N VAL 218.A O no hydrogen 3.156 N/A VAL 135.A N PRO 131.A O no hydrogen 3.117 N/A TRP 136.A N GLU 132.A O no hydrogen 2.938 N/A TYR 138.A N GLN 134.A O no hydrogen 3.150 N/A LEU 139.A N VAL 135.A O no hydrogen 2.879 N/A ARG 140.A N TRP 136.A O no hydrogen 3.001 N/A ARG 140.A NE.B LEU 278.A O no hydrogen 2.920 N/A ARG 140.A NH1.A LEU 278.A O no hydrogen 3.100 N/A ARG 140.A NH2.B VAL 277.A O no hydrogen 3.355 N/A ASP 141.A N GLY 137.A O no hydrogen 3.033 N/A THR 142.A N TYR 138.A O no hydrogen 3.049 N/A THR 142.A OG1 TYR 138.A O no hydrogen 2.980 N/A LEU 143.A N LEU 139.A O no hydrogen 2.936 N/A LEU 144.A N ARG 140.A O no hydrogen 2.949 N/A ALA 145.A N ASP 141.A O no hydrogen 3.071 N/A LEU 146.A N THR 142.A O no hydrogen 2.932 N/A ALA 147.A N LEU 143.A O no hydrogen 2.814 N/A HIS 148.A N LEU 144.A O no hydrogen 3.168 N/A HIS 148.A NE2 VAL 89.A O no hydrogen 2.778 N/A LEU 149.A N ALA 145.A O no hydrogen 3.043 N/A HIS 150.A N LEU 146.A O no hydrogen 2.786 N/A HIS 150.A NE2 ASP 207.A OD2 no hydrogen 2.812 N/A SER 151.A N ALA 147.A O no hydrogen 3.040 N/A SER 151.A OG ALA 147.A O no hydrogen 3.389 N/A SER 151.A OG HIS 148.A O no hydrogen 2.900 N/A GLN 152.A N LEU 149.A O no hydrogen 2.986 N/A GLY 153.A N HIS 150.A O no hydrogen 3.093 N/A LEU 154.A N LEU 149.A O no hydrogen 3.054 N/A VAL 155.A N VAL 181.A O no hydrogen 2.915 N/A HIS 156.A N ASP 207.A OD2 no hydrogen 2.891 N/A HIS 156.A NE2 GLY 175.A O no hydrogen 2.800 N/A LEU 157.A N ASP 207.A OD1 no hydrogen 2.916 N/A ASP 158.A N HIS 156.A ND1 no hydrogen 2.974 N/A LYS 160.A NZ ASP 189.A OD2 no hydrogen 2.930 N/A ASN 163.A N LYS 160.A O no hydrogen 3.034 N/A ASN 163.A ND2 ASP 158.A O no hydrogen 2.758 N/A ASN 163.A ND2 ASP 158.A OD2 no hydrogen 3.372 N/A ILE 164.A N PRO 161.A O no hydrogen 3.396 N/A PHE 165.A N LYS 173.A O no hydrogen 2.848 N/A LEU 166.A N PRO 117.A O no hydrogen 2.927 N/A GLY 167.A N ARG 171.A O no hydrogen 2.917 N/A ARG 171.A N PRO 168.A O no hydrogen 3.360 N/A ARG 171.A NE ASP 141.A OD1 no hydrogen 2.996 N/A ARG 171.A NE ASP 141.A OD2 no hydrogen 2.719 N/A ARG 171.A NH2 ASP 141.A OD1 no hydrogen 2.965 N/A CYS 172.A N ASP 141.A OD2 no hydrogen 2.996 N/A CYS 172.A SG TYR 138.A O no hydrogen 3.712 N/A CYS 172.A SG THR 142.A OG1 no hydrogen 3.694 N/A LYS 173.A N PHE 165.A O no hydrogen 2.844 N/A LYS 173.A NZ PRO 93.A O no hydrogen 2.951 N/A LEU 174.A N CYS 94.A O no hydrogen 2.811 N/A GLY 175.A N ASN 163.A O no hydrogen 2.900 N/A LEU 180.A N PHE 177.A O no hydrogen 3.227 N/A VAL 181.A N VAL 155.A O no hydrogen 2.968 N/A LEU 183.A N GLY 153.A O no hydrogen 2.940 N/A ASP 189.A N ASP 158.A OD1 no hydrogen 3.061 N/A ARG 191.A N ASP 189.A OD1 no hydrogen 2.968 N/A ARG 191.A NE ASP 189.A OD1 no hydrogen 3.160 N/A ARG 191.A NH2 ASP 189.A OD2 no hydrogen 2.792 N/A TYR 192.A N ASP 189.A O no hydrogen 3.136 N/A TYR 192.A OH GLU 217.A OE1 no hydrogen 2.469 N/A MET 193.A N PRO 190.A O no hydrogen 3.521 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.761 N/A LEU 197.A N ALA 194.A O no hydrogen 3.197 N/A LEU 198.A N PRO 195.A O no hydrogen 3.180 N/A GLN 199.A N GLU 196.A O no hydrogen 3.024 N/A GLY 200.A N LEU 197.A O no hydrogen 3.035 N/A SER 201.A N GLU 196.A O no hydrogen 3.190 N/A TYR 202.A N GLY 200.A O no hydrogen 3.210 N/A ALA 206.A N GLY 203.A O no hydrogen 3.142 N/A ASP 207.A N THR 204.A O no hydrogen 3.119 N/A PHE 209.A N ALA 205.A O no hydrogen 3.206 N/A SER 210.A N ALA 206.A O no hydrogen 3.103 N/A SER 210.A OG TYR 192.A O no hydrogen 2.773 N/A SER 210.A OG ALA 206.A O no hydrogen 3.298 N/A LEU 211.A N ASP 207.A O no hydrogen 2.908 N/A GLY 212.A N VAL 208.A O no hydrogen 2.915 N/A LEU 213.A N PHE 209.A O no hydrogen 3.096 N/A THR 214.A N SER 210.A O no hydrogen 2.954 N/A THR 214.A OG1 SER 210.A O no hydrogen 2.945 N/A ILE 215.A N LEU 211.A O no hydrogen 2.876 N/A LEU 216.A N GLY 212.A O no hydrogen 2.939 N/A GLU 217.A N LEU 213.A O no hydrogen 2.865 N/A VAL 218.A N THR 214.A O no hydrogen 3.050 N/A ALA 219.A N ILE 215.A O no hydrogen 2.848 N/A CYS 220.A N LEU 216.A O no hydrogen 3.075 N/A CYS 220.A SG PHE 243.A O no hydrogen 3.348 N/A MET 222.A N GLU 217.A O no hydrogen 3.169 N/A TRP 231.A NE1 PRO 190.A O no hydrogen 2.850 N/A GLN 232.A N GLY 228.A O no hydrogen 3.208 N/A GLN 233.A N GLU 229.A O no hydrogen 2.844 N/A LEU 234.A N GLY 230.A O no hydrogen 3.194 N/A ARG 235.A N GLN 232.A O no hydrogen 2.913 N/A ARG 235.A NE MET 193.A O no hydrogen 2.898 N/A ARG 235.A NH1 TRP 231.A O no hydrogen 3.069 N/A ARG 235.A NH2 ARG 191.A O no hydrogen 3.049 N/A ARG 235.A NH2 MET 193.A O no hydrogen 2.944 N/A GLN 236.A N GLN 233.A O no hydrogen 2.961 N/A TYR 238.A N GLN 233.A O no hydrogen 3.298 N/A PHE 243.A N PRO 240.A O no hydrogen 3.153 N/A THR 244.A N PRO 240.A O no hydrogen 3.050 N/A THR 244.A OG1 PRO 240.A O no hydrogen 2.942 N/A ALA 245.A N PRO 241.A O no hydrogen 3.119 N/A LEU 247.A N THR 244.A O no hydrogen 3.190 N/A SER 248.A N GLU 132.A OE1 no hydrogen 2.803 N/A SER 248.A OG GLU 132.A OE2 no hydrogen 2.650 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.863 N/A LEU 251.A N SER 248.A OG no hydrogen 3.104 N/A ARG 252.A N SER 248.A O no hydrogen 3.010 N/A ARG 252.A NH1.A THR 244.A O no hydrogen 3.133 N/A SER 253.A N SER 249.A O no hydrogen 2.947 N/A SER 253.A OG.A SER 249.A O no hydrogen 2.958 N/A VAL 254.A N GLU 250.A O no hydrogen 3.185 N/A LEU 255.A N LEU 251.A O no hydrogen 2.981 N/A VAL 256.A N ARG 252.A O no hydrogen 2.997 N/A MET 257.A N SER 253.A O no hydrogen 3.167 N/A MET 258.A N VAL 254.A O no hydrogen 3.110 N/A LEU 259.A N LEU 255.A O no hydrogen 2.896 N/A ASP 262.A N GLU 260.A OE2 no hydrogen 3.003 N/A LYS 264.A N ASP 262.A OD1 no hydrogen 2.868 N/A LEU 265.A N ASP 262.A O no hydrogen 3.003 N/A ARG 266.A NE GLU 260.A O no hydrogen 2.862 N/A ARG 266.A NH1 GLU 196.A OE1 no hydrogen 3.501 N/A ARG 266.A NH1 GLU 196.A OE2 no hydrogen 2.840 N/A ARG 266.A NH1 ALA 205.A O no hydrogen 2.894 N/A ARG 266.A NH2 GLU 196.A OE1 no hydrogen 3.028 N/A ARG 266.A NH2 GLU 260.A O no hydrogen 2.882 N/A ALA 267.A N MET 257.A O no hydrogen 3.447 N/A ALA 271.A N THR 268.A OG1 no hydrogen 3.061 N/A LEU 272.A N THR 268.A O no hydrogen 3.085 N/A LEU 273.A N ALA 269.A O no hydrogen 3.072 N/A ALA 274.A N GLU 270.A O no hydrogen 3.213 N/A ALA 274.A N ALA 271.A O no hydrogen 3.284 N/A LEU 275.A N LEU 272.A O no hydrogen 3.040 N/A LEU 278.A N LEU 275.A O no hydrogen 2.887 N/A ARG 279.A N PRO 276.A O no hydrogen 3.371 N/A