Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q3c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 56.A OD1 no hydrogen 2.517 N/A LYS 1.A NZ GLY 21.A O no hydrogen 2.750 N/A GLN 2.A N ASP 56.A OD1 no hydrogen 2.829 N/A GLN 2.A NE2 ASN 25.A OD1 no hydrogen 3.112 N/A ILE 3.A N LEU 23.A O no hydrogen 2.777 N/A ALA 4.A N VAL 57.A O no hydrogen 3.026 N/A PHE 5.A N ASN 25.A O no hydrogen 2.811 N/A ILE 6.A N ILE 59.A O no hydrogen 2.956 N/A GLY 7.A N PHE 27.A O no hydrogen 3.009 N/A LEU 8.A N ASP 28.A OD1 no hydrogen 2.588 N/A ALA 12.A N GLY 9.A O no hydrogen 2.914 N/A THR 15.A N ALA 12.A O no hydrogen 2.853 N/A THR 15.A OG1 ALA 12.A O no hydrogen 2.745 N/A ASN 16.A N PRO 13.A O no hydrogen 2.969 N/A ASN 16.A ND2 ALA 123.A O no hydrogen 3.164 N/A LEU 17.A N ALA 14.A O no hydrogen 3.206 N/A LEU 18.A N ALA 14.A O no hydrogen 3.191 N/A LYS 19.A N THR 15.A O no hydrogen 2.980 N/A ALA 20.A N LEU 17.A O no hydrogen 3.104 N/A GLY 21.A N LEU 18.A O no hydrogen 2.997 N/A TYR 22.A N LEU 17.A O no hydrogen 3.247 N/A ASN 25.A N ILE 3.A O no hydrogen 2.649 N/A VAL 26.A N SER 43.A O no hydrogen 3.076 N/A PHE 27.A N PHE 5.A O no hydrogen 2.928 N/A VAL 30.A N ASP 28.A OD2 no hydrogen 2.987 N/A GLN 31.A NE2 ASP 35.A OD1 no hydrogen 3.558 N/A ALA 33.A N VAL 30.A O no hydrogen 2.985 N/A VAL 34.A N VAL 30.A O no hydrogen 3.333 N/A ASP 35.A N GLN 31.A O no hydrogen 2.843 N/A GLY 36.A N SER 32.A O no hydrogen 3.074 N/A LEU 37.A N ALA 33.A O no hydrogen 3.491 N/A VAL 38.A N VAL 34.A O no hydrogen 2.913 N/A ALA 39.A N ASP 35.A O no hydrogen 3.017 N/A ALA 40.A N GLY 36.A O no hydrogen 3.362 N/A GLY 41.A N VAL 38.A O no hydrogen 2.987 N/A ALA 42.A N LEU 37.A O no hydrogen 2.972 N/A SER 43.A N LEU 24.A O no hydrogen 3.287 N/A SER 43.A OG LEU 24.A O no hydrogen 3.255 N/A SER 43.A OG ASN 25.A OD1 no hydrogen 3.411 N/A ALA 45.A N VAL 26.A O no hydrogen 2.805 N/A ARG 46.A N ASP 50.A OD2 no hydrogen 3.009 N/A ALA 51.A N SER 47.A O no hydrogen 2.847 N/A VAL 52.A N ALA 48.A O no hydrogen 2.985 N/A GLN 53.A N ARG 49.A O no hydrogen 2.925 N/A GLN 53.A NE2 HIS 79.A O no hydrogen 3.631 N/A ALA 55.A N VAL 52.A O no hydrogen 2.870 N/A ASP 56.A N GLN 2.A O no hydrogen 2.888 N/A VAL 58.A N LEU 85.A O no hydrogen 2.833 N/A ILE 59.A N ALA 4.A O no hydrogen 2.891 N/A SER 60.A N LEU 87.A O no hydrogen 3.163 N/A SER 60.A OG TYR 71.A OH no hydrogen 2.746 N/A SER 60.A OG GLU 88.A OE1 no hydrogen 2.730 N/A VAL 67.A N ALA 63.A O no hydrogen 3.209 N/A GLU 68.A N SER 64.A O no hydrogen 2.957 N/A GLY 69.A N GLN 65.A O no hydrogen 2.786 N/A LEU 70.A N HIS 66.A O no hydrogen 2.917 N/A TYR 71.A N VAL 67.A O no hydrogen 3.100 N/A TYR 71.A OH SER 60.A OG no hydrogen 2.746 N/A LEU 72.A N GLY 69.A O no hydrogen 3.436 N/A ALA 78.A N GLY 75.A O no hydrogen 2.939 N/A ILE 80.A N LEU 77.A O no hydrogen 3.439 N/A LEU 85.A N ASP 56.A O no hydrogen 2.832 N/A VAL 86.A N ALA 110.A O no hydrogen 2.927 N/A LEU 87.A N VAL 58.A O no hydrogen 2.797 N/A GLU 88.A N LEU 111.A O no hydrogen 2.880 N/A CYS 89.A N SER 60.A O no hydrogen 3.132 N/A CYS 89.A SG ALA 113.A O no hydrogen 3.413 N/A SER 90.A N GLU 88.A OE1 no hydrogen 3.162 N/A SER 90.A OG LEU 61.A O no hydrogen 3.187 N/A SER 90.A OG GLU 88.A OE1 no hydrogen 2.674 N/A ILE 92.A N GLN 160.A OE1 no hydrogen 3.257 N/A ALA 93.A N SER 64.A OG no hydrogen 3.428 N/A SER 96.A OG GLU 68.A OE1 no hydrogen 3.427 N/A ALA 97.A N ALA 93.A O no hydrogen 2.903 N/A ARG 98.A N PRO 94.A O no hydrogen 2.688 N/A LYS 99.A N THR 95.A O no hydrogen 2.953 N/A LYS 99.A NZ GLU 68.A OE2 no hydrogen 3.033 N/A ILE 100.A N SER 96.A O no hydrogen 3.371 N/A HIS 101.A N ALA 97.A O no hydrogen 2.862 N/A HIS 101.A NE2 ASP 112.A OD1 no hydrogen 2.845 N/A ALA 102.A N ARG 98.A O no hydrogen 3.131 N/A ALA 103.A N LYS 99.A O no hydrogen 3.211 N/A ALA 104.A N ILE 100.A O no hydrogen 2.963 N/A ARG 105.A N HIS 101.A O no hydrogen 2.842 N/A ARG 105.A NH2 ASP 133.A OD2 no hydrogen 3.013 N/A ARG 105.A NH2 ASP 156.A OD1 no hydrogen 3.171 N/A GLU 106.A N ALA 102.A O no hydrogen 2.920 N/A ARG 107.A N ALA 104.A O no hydrogen 3.029 N/A GLY 108.A N ARG 105.A O no hydrogen 2.913 N/A ALA 113.A N GLU 88.A O no hydrogen 2.839 N/A SER 116.A N THR 128.A O no hydrogen 2.914 N/A THR 119.A OG1 HIS 10.A O no hydrogen 3.397 N/A GLY 121.A N GLY 118.A O no hydrogen 2.969 N/A ALA 122.A N GLY 118.A O no hydrogen 2.729 N/A ALA 123.A N THR 119.A O no hydrogen 3.144 N/A ALA 124.A N ALA 120.A O no hydrogen 3.292 N/A THR 126.A N GLY 121.A O no hydrogen 3.009 N/A THR 126.A OG1 GLY 121.A O no hydrogen 3.516 N/A THR 128.A N SER 116.A O no hydrogen 3.025 N/A PHE 129.A N ASN 149.A O no hydrogen 2.987 N/A GLY 131.A N ASP 112.A O no hydrogen 2.959 N/A GLY 132.A N GLY 154.A O no hydrogen 2.865 N/A LEU 137.A N ASP 133.A O no hydrogen 2.981 N/A GLU 138.A N ALA 134.A O no hydrogen 2.990 N/A LYS 139.A N GLU 135.A O no hydrogen 3.412 N/A ALA 140.A N ALA 136.A O no hydrogen 2.824 N/A ARG 141.A N LEU 137.A O no hydrogen 2.632 N/A ARG 141.A NE GLU 138.A OE2 no hydrogen 3.310 N/A LEU 143.A N ALA 140.A O no hydrogen 2.885 N/A PHE 144.A N ALA 140.A O no hydrogen 3.393 N/A GLU 145.A N ARG 141.A O no hydrogen 2.848 N/A ALA 146.A N LEU 143.A O no hydrogen 2.838 N/A ARG 148.A N LEU 127.A O no hydrogen 2.854 N/A PHE 151.A N PHE 129.A O no hydrogen 3.054 N/A HIS 152.A NE2 GLY 132.A O no hydrogen 2.806 N/A ALA 153.A N VAL 130.A O no hydrogen 2.746 N/A GLY 157.A N ASP 112.A OD1 no hydrogen 3.089 N/A ALA 158.A N PRO 155.A O no hydrogen 2.799 N/A GLN 160.A N ASP 112.A OD2 no hydrogen 3.013 N/A GLN 160.A NE2 SER 90.A O no hydrogen 2.958 N/A VAL 161.A N GLY 157.A O no hydrogen 3.125 N/A ALA 162.A N ALA 158.A O no hydrogen 2.931 N/A LYS 163.A N GLY 159.A O no hydrogen 2.984 N/A LYS 163.A NZ THR 91.A OG1 no hydrogen 2.739 N/A LYS 163.A NZ VAL 115.A O no hydrogen 2.686 N/A VAL 164.A N GLN 160.A O no hydrogen 2.970 N/A CYS 165.A N VAL 161.A O no hydrogen 2.952 N/A CYS 165.A SG VAL 161.A O no hydrogen 3.423 N/A ASN 166.A N ALA 162.A O no hydrogen 2.805 N/A ASN 166.A ND2 ASN 167.A OD1 no hydrogen 2.938 N/A ASN 167.A N LYS 163.A O no hydrogen 2.893 N/A ASN 167.A ND2 ASP 233.A OD2 no hydrogen 2.721 N/A GLN 168.A N VAL 164.A O no hydrogen 3.120 N/A LEU 169.A N CYS 165.A O no hydrogen 3.255 N/A LEU 170.A N ASN 166.A O no hydrogen 2.976 N/A ALA 171.A N ASN 167.A O no hydrogen 2.976 N/A VAL 172.A N GLN 168.A O no hydrogen 3.062 N/A LEU 173.A N LEU 169.A O no hydrogen 2.837 N/A GLY 175.A N VAL 172.A O no hydrogen 2.782 N/A THR 176.A N LEU 173.A O no hydrogen 2.570 N/A THR 176.A OG1 LEU 173.A O no hydrogen 2.689 N/A THR 176.A OG1 ASN 202.A OD1 no hydrogen 3.202 N/A GLU 178.A N ILE 174.A O no hydrogen 2.852 N/A ALA 179.A N GLY 175.A O no hydrogen 3.143 N/A LEU 181.A N GLU 178.A O no hydrogen 2.941 N/A GLY 182.A N ALA 179.A O no hydrogen 3.084 N/A ALA 184.A N ALA 180.A O no hydrogen 3.094 N/A ASN 185.A N LEU 181.A O no hydrogen 3.130 N/A ASN 185.A N GLY 182.A O no hydrogen 2.884 N/A ASN 185.A ND2 LEU 181.A O no hydrogen 2.662 N/A GLY 186.A N VAL 183.A O no hydrogen 3.043 N/A LEU 187.A N GLY 182.A O no hydrogen 3.016 N/A LYS 190.A NZ GLY 213.A O no hydrogen 2.979 N/A LEU 192.A N GLU 188.A O no hydrogen 2.897 N/A ALA 193.A N ALA 189.A O no hydrogen 2.870 N/A GLU 194.A N LYS 190.A O no hydrogen 3.167 N/A ILE 195.A N VAL 191.A O no hydrogen 3.183 N/A ARG 196.A NE GLU 194.A OE1 no hydrogen 3.359 N/A ARG 196.A NE GLU 194.A OE2 no hydrogen 2.990 N/A ARG 196.A NH1 GLU 206.A OE1 no hydrogen 3.138 N/A ARG 196.A NH2 GLU 194.A OE2 no hydrogen 2.616 N/A ARG 197.A N.A GLU 194.A O no hydrogen 3.053 N/A ARG 197.A N.B GLU 194.A O no hydrogen 3.045 N/A SER 198.A OG ILE 195.A O no hydrogen 2.767 N/A GLY 201.A N SER 198.A O no hydrogen 2.914 N/A ASN 202.A ND2 THR 176.A OG1 no hydrogen 3.211 N/A ASN 202.A ND2 GLY 200.A O no hydrogen 2.903 N/A LEU 205.A N ASN 202.A OD1 no hydrogen 3.110 N/A GLU 206.A N ASN 202.A O no hydrogen 3.039 N/A GLU 206.A N TRP 203.A O no hydrogen 2.859 N/A VAL 207.A N TRP 203.A O no hydrogen 2.978 N/A TYR 208.A N ALA 204.A O no hydrogen 2.624 N/A TYR 208.A OH ASP 269.A OD1 no hydrogen 2.522 N/A TRP 211.A N ASN 209.A OD1 no hydrogen 2.631 N/A GLY 213.A N SER 220.A OG no hydrogen 3.169 N/A VAL 214.A N TRP 211.A O no hydrogen 3.135 N/A GLU 215.A N ASN 216.A OD1 no hydrogen 3.278 N/A SER 220.A N ALA 217.A O no hydrogen 2.910 N/A ARG 221.A N PRO 218.A O no hydrogen 3.050 N/A ARG 221.A NE SER 224.A O no hydrogen 3.103 N/A ARG 221.A NH1 ASN 216.A O no hydrogen 3.137 N/A ARG 221.A NH2 SER 224.A O no hydrogen 3.534 N/A TYR 223.A N PRO 218.A O no hydrogen 2.543 N/A TYR 223.A OH PRO 210.A O no hydrogen 2.572 N/A SER 224.A N ARG 221.A O no hydrogen 3.276 N/A SER 224.A OG ARG 221.A O no hydrogen 2.869 N/A PHE 227.A N ASP 269.A OD1 no hydrogen 3.055 N/A GLN 229.A N ALA 266.A O no hydrogen 2.954 N/A LYS 232.A N GLN 229.A O no hydrogen 3.201 N/A LYS 232.A NZ THR 91.A O no hydrogen 3.433 N/A LYS 232.A NZ ASP 233.A OD1 no hydrogen 2.924 N/A ASP 233.A N LEU 230.A O no hydrogen 3.018 N/A GLY 235.A N ALA 231.A O no hydrogen 2.937 N/A LEU 236.A N LYS 232.A O no hydrogen 2.949 N/A ALA 237.A N ASP 233.A O no hydrogen 2.993 N/A GLN 238.A N LEU 234.A O no hydrogen 3.007 N/A GLN 238.A NE2 GLN 168.A OE1 no hydrogen 3.327 N/A GLN 238.A NE2 LEU 234.A O no hydrogen 3.501 N/A GLU 239.A N GLY 235.A O no hydrogen 3.173 N/A ALA 240.A N LEU 236.A O no hydrogen 3.116 N/A ALA 241.A N ALA 237.A O no hydrogen 2.958 N/A GLN 242.A N GLN 238.A O no hydrogen 3.066 N/A ALA 243.A N GLU 239.A O no hydrogen 3.319 N/A SER 244.A N ALA 240.A O no hydrogen 3.177 N/A SER 244.A OG ALA 240.A O no hydrogen 2.994 N/A SER 244.A OG ALA 241.A O no hydrogen 3.353 N/A SER 244.A OG SER 246.A OG no hydrogen 2.681 N/A ALA 245.A N GLN 242.A O no hydrogen 3.349 N/A SER 246.A N ALA 241.A O no hydrogen 2.680 N/A SER 246.A OG SER 244.A OG no hydrogen 2.681 N/A THR 248.A OG1 GLN 238.A OE1 no hydrogen 3.555 N/A THR 248.A OG1 SER 251.A OG no hydrogen 2.841 N/A SER 251.A N THR 248.A O no hydrogen 2.767 N/A SER 251.A OG GLN 238.A OE1 no hydrogen 2.947 N/A SER 251.A OG THR 248.A O no hydrogen 2.837 N/A SER 251.A OG THR 248.A OG1 no hydrogen 2.841 N/A LEU 252.A N PRO 249.A O no hydrogen 3.103 N/A LEU 254.A N GLY 250.A O no hydrogen 2.826 N/A SER 255.A N SER 251.A O no hydrogen 2.896 N/A SER 255.A OG SER 251.A O no hydrogen 3.389 N/A LEU 256.A N LEU 252.A O no hydrogen 2.965 N/A TYR 257.A N ALA 253.A O no hydrogen 2.902 N/A TYR 257.A OH PHE 270.A O no hydrogen 2.824 N/A ARG 258.A N LEU 254.A O no hydrogen 3.028 N/A LEU 259.A N SER 255.A O no hydrogen 3.277 N/A LEU 260.A N LEU 256.A O no hydrogen 3.013 N/A LEU 261.A N TYR 257.A O no hydrogen 2.992 N/A LYS 262.A N ARG 258.A O no hydrogen 2.966 N/A GLN 263.A N LEU 259.A O no hydrogen 3.078 N/A GLN 263.A N LEU 260.A O no hydrogen 2.983 N/A GLY 264.A N LEU 261.A O no hydrogen 3.149 N/A TYR 265.A N LEU 260.A O no hydrogen 3.351 N/A ARG 268.A N TYR 265.A O no hydrogen 2.952 N/A ARG 268.A NH1 ASP 222.A O no hydrogen 2.898 N/A ARG 268.A NH1 ASP 222.A OD1 no hydrogen 3.516 N/A ASP 269.A N TYR 223.A O no hydrogen 2.921 N/A PHE 270.A N PHE 227.A O no hydrogen 2.765 N/A SER 271.A N ASP 269.A OD2 no hydrogen 2.856 N/A SER 271.A OG ASP 269.A OD2 no hydrogen 2.625 N/A VAL 272.A N ASP 269.A O no hydrogen 2.798 N/A VAL 273.A N PHE 270.A O no hydrogen 3.294 N/A GLN 274.A N SER 271.A O no hydrogen 2.823 N/A GLN 274.A NE2 ALA 177.A O no hydrogen 2.915 N/A GLN 274.A NE2 GLN 274.A O no hydrogen 3.381 N/A LYS 275.A N VAL 272.A O no hydrogen 2.848 N/A LYS 275.A NZ GLN 281.A OE1 no hydrogen 2.984 N/A LEU 276.A N VAL 273.A O no hydrogen 3.045 N/A PHE 277.A N GLN 274.A O no hydrogen 3.054 N/A ASP 278.A N GLN 274.A O no hydrogen 3.213 N/A THR 280.A OG1 ASP 278.A OD1 no hydrogen 3.394 N/A THR 280.A OG1 ASP 278.A OD2 no hydrogen 2.962 N/A GLN 281.A NE2 TYR 223.A OH no hydrogen 3.291 N/A