Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASP 251.A OD2 no hydrogen 2.707 N/A ARG 6.A N ASP 251.A OD1 no hydrogen 2.846 N/A ARG 6.A NE HIS 2.A O no hydrogen 3.021 N/A ARG 6.A NH1 GLU 34.A OE1 no hydrogen 2.959 N/A ARG 6.A NH1 GLU 34.A OE2 no hydrogen 3.143 N/A ARG 6.A NH2 HIS 2.A O no hydrogen 2.984 N/A ARG 6.A NH2 GLU 34.A OE1 no hydrogen 2.522 N/A ILE 8.A N VAL 250.A O no hydrogen 2.852 N/A ILE 10.A N ASP 248.A O no hydrogen 3.039 N/A ASN 12.A N LEU 9.A O no hydrogen 2.663 N/A PHE 13.A N ILE 10.A O no hydrogen 3.106 N/A HIS 16.A N ASN 12.A O no hydrogen 3.028 N/A TYR 17.A N PHE 13.A O no hydrogen 2.752 N/A ARG 18.A N ALA 14.A O no hydrogen 3.043 N/A LEU 19.A N GLU 15.A O no hydrogen 2.834 N/A MET 20.A N HIS 16.A O no hydrogen 2.741 N/A SER 21.A N TYR 17.A O no hydrogen 2.915 N/A SER 21.A OG TYR 17.A O no hydrogen 2.640 N/A SER 21.A OG ARG 18.A O no hydrogen 3.254 N/A ALA 22.A N ARG 18.A O no hydrogen 2.975 N/A ASP 25.A N SER 21.A O no hydrogen 2.801 N/A PHE 26.A N ALA 22.A O no hydrogen 3.312 N/A PHE 26.A N ASP 23.A O no hydrogen 3.125 N/A PHE 28.A N MET 20.A O no hydrogen 3.028 N/A SER 29.A N ASP 25.A O no hydrogen 2.789 N/A SER 29.A OG GLU 270.A OE1 no hydrogen 2.665 N/A SER 29.A OG GLU 270.A OE2 no hydrogen 3.179 N/A GLU 30.A N PHE 26.A O no hydrogen 2.919 N/A GLU 31.A N ARG 27.A O no hydrogen 2.830 N/A PHE 32.A N PHE 28.A O no hydrogen 2.951 N/A GLU 33.A N SER 29.A O no hydrogen 3.082 N/A GLU 33.A N GLU 30.A O no hydrogen 3.163 N/A GLU 34.A N GLU 31.A O no hydrogen 3.130 N/A LEU 35.A N PHE 32.A O no hydrogen 3.163 N/A LYS 36.A N GLU 33.A O no hydrogen 3.253 N/A LYS 36.A NZ GLU 33.A OE1 no hydrogen 3.119 N/A VAL 38.A N LEU 35.A O no hydrogen 3.281 N/A ARG 40.A N HIS 37.A O no hydrogen 3.046 N/A GLN 42.A N GLY 39.A O no hydrogen 3.131 N/A GLN 42.A NE2 GLY 39.A O no hydrogen 2.814 N/A GLN 42.A NE2 LYS 261.A O no hydrogen 3.080 N/A CYS 44.A SG LEU 62.A O no hydrogen 3.915 N/A CYS 44.A SG PRO 63.A O no hydrogen 3.387 N/A THR 45.A N ASP 65.A OD2 no hydrogen 2.913 N/A PHE 46.A N ASP 65.A OD1 no hydrogen 3.355 N/A ASP 48.A N THR 45.A O no hydrogen 3.223 N/A LEU 49.A N PHE 46.A O no hydrogen 3.125 N/A CYS 51.A SG ASN 52.A OD1 no hydrogen 3.598 N/A ASN 52.A N LEU 49.A O no hydrogen 2.717 N/A ASN 52.A ND2 PHE 46.A O no hydrogen 2.642 N/A ARG 53.A N LEU 49.A O no hydrogen 3.184 N/A ARG 53.A NE ASP 48.A O no hydrogen 3.212 N/A ARG 53.A NH2 ASP 48.A O no hydrogen 3.200 N/A LYS 55.A N ASN 52.A O no hydrogen 2.585 N/A LYS 55.A NZ ASN 52.A OD1 no hydrogen 3.059 N/A LYS 55.A NZ GLY 79.A O no hydrogen 2.779 N/A ASN 56.A N ARG 53.A O no hydrogen 3.492 N/A ASN 56.A ND2 ALA 47.A O no hydrogen 2.970 N/A ARG 57.A N GLN 101.A OE1 no hydrogen 2.736 N/A ARG 57.A NE GLY 102.A O no hydrogen 2.663 N/A ARG 57.A NH2 GLY 102.A O no hydrogen 3.305 N/A ARG 57.A NH2 PRO 103.A O no hydrogen 3.075 N/A ILE 61.A N PHE 58.A O no hydrogen 3.297 N/A ASP 65.A N PRO 43.A O no hydrogen 2.832 N/A SER 67.A N TYR 64.A O no hydrogen 3.366 N/A SER 67.A OG GLU 262.A O no hydrogen 2.533 N/A ARG 68.A NH1 ASP 81.A OD1 no hydrogen 3.050 N/A ARG 68.A NH2 ASP 81.A OD1 no hydrogen 3.208 N/A ARG 68.A NH2 ASP 81.A OD2 no hydrogen 2.740 N/A PHE 69.A N ALA 85.A O no hydrogen 3.093 N/A LEU 71.A N ASP 81.A O no hydrogen 2.711 N/A GLN 72.A N GLU 117.A OE1 no hydrogen 3.002 N/A VAL 74.A N SER 80.A OG no hydrogen 2.901 N/A ASP 77.A N VAL 74.A O no hydrogen 3.037 N/A SER 80.A OG VAL 74.A O no hydrogen 3.476 N/A TYR 82.A N GLY 79.A O no hydrogen 3.095 N/A TYR 82.A OH ASN 56.A OD1 no hydrogen 2.427 N/A ASN 84.A ND2 ASN 56.A OD1 no hydrogen 3.084 N/A ASN 84.A ND2 ILE 61.A O no hydrogen 3.167 N/A ALA 85.A N ILE 83.A O no hydrogen 2.770 N/A ASN 86.A N VAL 99.A O no hydrogen 2.949 N/A ASN 86.A ND2 TYR 64.A O no hydrogen 3.488 N/A TYR 87.A N SER 67.A O no hydrogen 2.945 N/A VAL 88.A N PHE 97.A O no hydrogen 2.909 N/A GLY 90.A N SER 93.A O no hydrogen 2.982 N/A ASN 92.A N GLU 96.A OE1 no hydrogen 2.708 N/A ASN 92.A ND2 GLU 96.A OE1 no hydrogen 3.522 N/A ASN 92.A ND2 GLU 96.A OE2 no hydrogen 2.655 N/A ASN 92.A ND2 GLN 242.A OE1 no hydrogen 2.829 N/A ARG 95.A N SER 93.A OG no hydrogen 3.162 N/A GLU 96.A N SER 93.A O no hydrogen 3.183 N/A PHE 97.A N VAL 88.A O no hydrogen 3.099 N/A ILE 98.A N ILE 220.A O no hydrogen 2.750 N/A VAL 99.A N ASN 86.A O no hydrogen 2.921 N/A THR 100.A N VAL 222.A O no hydrogen 2.906 N/A THR 100.A OG1 ASN 84.A O no hydrogen 2.789 N/A THR 100.A OG1 GLN 101.A O no hydrogen 3.384 N/A GLN 101.A N ASN 84.A O no hydrogen 3.436 N/A GLN 101.A NE2 LYS 55.A O no hydrogen 2.739 N/A GLY 102.A N SER 225.A O no hydrogen 2.817 N/A LEU 104.A N THR 107.A OG1 no hydrogen 2.955 N/A THR 107.A N LEU 104.A O no hydrogen 2.707 N/A THR 107.A OG1 LEU 104.A O no hydrogen 3.223 N/A ARG 108.A N HIS 105.A O no hydrogen 3.320 N/A ARG 108.A NH1 ASP 138.A OD2 no hydrogen 3.144 N/A PHE 111.A N THR 107.A O no hydrogen 2.774 N/A TRP 112.A N ARG 108.A O no hydrogen 2.960 N/A TRP 112.A NE1 TYR 140.A O no hydrogen 2.816 N/A ARG 113.A N ASP 109.A O no hydrogen 3.023 N/A ARG 113.A NE GLU 117.A OE2 no hydrogen 3.209 N/A ARG 113.A NH2 SER 80.A O no hydrogen 3.568 N/A MET 114.A N ASP 110.A O no hydrogen 2.896 N/A CYS 115.A N PHE 111.A O no hydrogen 3.110 N/A CYS 115.A SG PHE 111.A O no hydrogen 3.441 N/A TRP 116.A N TRP 112.A O no hydrogen 2.972 N/A GLU 117.A N ARG 113.A O no hydrogen 2.672 N/A SER 118.A N MET 114.A O no hydrogen 2.743 N/A SER 118.A OG MET 114.A O no hydrogen 2.886 N/A SER 118.A OG CYS 115.A O no hydrogen 2.850 N/A ASN 119.A N TRP 116.A O no hydrogen 3.132 N/A SER 120.A N CYS 115.A O no hydrogen 3.038 N/A SER 120.A N SER 118.A OG no hydrogen 3.028 N/A SER 120.A OG PRO 219.A O no hydrogen 2.759 N/A ARG 121.A NH1 ASN 119.A O no hydrogen 3.464 N/A ALA 122.A N SER 120.A OG no hydrogen 3.337 N/A ILE 123.A N ARG 183.A O no hydrogen 2.970 N/A VAL 124.A N VAL 221.A O no hydrogen 2.792 N/A MET 125.A N PHE 185.A O no hydrogen 2.852 N/A LEU 126.A N HIS 223.A O no hydrogen 2.929 N/A THR 127.A OG1 ARG 128.A O no hydrogen 2.698 N/A THR 127.A OG1 GLU 131.A OE2 no hydrogen 3.458 N/A ARG 128.A N GLU 131.A OE2 no hydrogen 2.762 N/A ARG 128.A NH2 TRP 190.A O no hydrogen 2.846 N/A ARG 128.A NH2 ASP 192.A OD1 no hydrogen 3.038 N/A CYS 129.A SG CYS 137.A O no hydrogen 3.311 N/A GLU 131.A N ARG 134.A O no hydrogen 2.953 N/A ARG 134.A N GLU 131.A O no hydrogen 2.880 N/A LYS 136.A N CYS 129.A O no hydrogen 2.658 N/A CYS 137.A N CYS 129.A O no hydrogen 3.373 N/A CYS 137.A SG ASP 138.A O no hydrogen 3.206 N/A ASP 138.A N PRO 103.A O no hydrogen 3.044 N/A TYR 140.A OH HIS 184.A NE2 no hydrogen 2.769 N/A TYR 140.A OH HIS 223.A NE2 no hydrogen 2.801 N/A VAL 146.A N ASP 144.A OD1 no hydrogen 2.964 N/A VAL 148.A N VAL 155.A O no hydrogen 2.867 N/A TYR 150.A N ILE 153.A O no hydrogen 2.725 N/A ILE 153.A N TYR 150.A O no hydrogen 2.971 N/A LYS 154.A N CYS 174.A O no hydrogen 3.015 N/A VAL 155.A N VAL 148.A O no hydrogen 2.881 N/A GLN 156.A N MET 172.A O no hydrogen 3.132 N/A LEU 158.A N GLU 170.A O no hydrogen 2.751 N/A SER 161.A N MET 168.A O no hydrogen 2.892 N/A VAL 167.A N HIS 186.A O no hydrogen 2.894 N/A MET 168.A N SER 161.A O no hydrogen 2.892 N/A THR 169.A N HIS 184.A O no hydrogen 2.890 N/A GLU 170.A N ASN 159.A O no hydrogen 2.933 N/A PHE 171.A N LEU 182.A O no hydrogen 2.769 N/A MET 172.A N GLN 156.A O no hydrogen 2.717 N/A LEU 173.A N ARG 180.A O no hydrogen 2.689 N/A CYS 174.A N LYS 154.A O no hydrogen 3.079 N/A ARG 175.A N GLU 178.A O no hydrogen 2.876 N/A ARG 180.A N LEU 173.A O no hydrogen 2.773 N/A ARG 180.A NH2 TRP 116.A O no hydrogen 2.966 N/A LEU 182.A N PHE 171.A O no hydrogen 2.965 N/A ARG 183.A N ARG 121.A O no hydrogen 3.009 N/A HIS 184.A N THR 169.A O no hydrogen 2.772 N/A HIS 184.A NE2 TYR 140.A OH no hydrogen 2.769 N/A PHE 185.A N ILE 123.A O no hydrogen 2.825 N/A HIS 186.A N VAL 167.A O no hydrogen 2.995 N/A HIS 186.A NE2 THR 127.A O no hydrogen 2.826 N/A PHE 187.A N MET 125.A O no hydrogen 2.847 N/A THR 188.A N ASP 165.A O no hydrogen 2.873 N/A THR 188.A OG1 ASP 165.A O no hydrogen 3.097 N/A TRP 190.A NE1 GLY 194.A O no hydrogen 3.244 N/A THR 201.A OG1 PRO 198.A O no hydrogen 3.516 N/A LEU 202.A N PRO 199.A O no hydrogen 2.841 N/A ARG 204.A N GLN 200.A O no hydrogen 3.052 N/A PHE 205.A N THR 201.A O no hydrogen 3.295 N/A VAL 206.A N LEU 202.A O no hydrogen 2.929 N/A ARG 207.A N VAL 203.A O no hydrogen 2.745 N/A ALA 208.A N ARG 204.A O no hydrogen 2.984 N/A PHE 209.A N PHE 205.A O no hydrogen 2.802 N/A ARG 210.A N VAL 206.A O no hydrogen 3.068 N/A ARG 210.A NE ASP 238.A OD1 no hydrogen 2.945 N/A ARG 210.A NE ASP 238.A OD2 no hydrogen 3.341 N/A ARG 210.A NH1 GLY 214.A O no hydrogen 2.964 N/A ARG 210.A NH2 GLU 96.A OE2 no hydrogen 3.218 N/A ARG 210.A NH2 ASP 238.A OD2 no hydrogen 2.589 N/A ASP 211.A N ARG 207.A O no hydrogen 2.861 N/A ARG 212.A N ALA 208.A O no hydrogen 2.856 N/A ARG 212.A NH2 GLU 170.A OE2 no hydrogen 3.529 N/A ILE 213.A N PHE 209.A O no hydrogen 2.799 N/A GLY 214.A N ARG 210.A O no hydrogen 3.063 N/A ARG 218.A N GLU 216.A OE2 no hydrogen 3.289 N/A ARG 218.A NE GLU 216.A OE1 no hydrogen 3.300 N/A ARG 218.A NE GLU 216.A OE2 no hydrogen 2.996 N/A ARG 218.A NH2 GLU 216.A OE1 no hydrogen 2.554 N/A ILE 220.A N GLU 96.A O no hydrogen 2.800 N/A VAL 221.A N ALA 122.A O no hydrogen 2.948 N/A VAL 222.A N ILE 98.A O no hydrogen 2.871 N/A HIS 223.A N VAL 124.A O no hydrogen 2.848 N/A HIS 223.A ND1 CYS 224.A O no hydrogen 3.041 N/A HIS 223.A NE2 TYR 140.A OH no hydrogen 2.801 N/A CYS 224.A SG SER 231.A OG no hydrogen 3.016 N/A SER 225.A OG LYS 136.A O no hydrogen 2.811 N/A ARG 230.A NH1 GLU 131.A OE1 no hydrogen 2.703 N/A ARG 230.A NH2 LEU 126.A O no hydrogen 3.003 N/A ARG 230.A NH2 GLU 131.A OE2 no hydrogen 3.227 N/A GLY 232.A N VAL 228.A O no hydrogen 2.822 N/A THR 233.A N GLY 229.A O no hydrogen 2.865 N/A THR 233.A OG1 GLY 229.A O no hydrogen 2.985 N/A PHE 234.A N ARG 230.A O no hydrogen 3.024 N/A ILE 235.A N SER 231.A O no hydrogen 3.201 N/A THR 236.A N GLY 232.A O no hydrogen 3.205 N/A THR 236.A OG1 GLY 232.A O no hydrogen 2.730 N/A LEU 237.A N THR 233.A O no hydrogen 3.049 N/A ASP 238.A N PHE 234.A O no hydrogen 2.867 N/A ARG 239.A N ILE 235.A O no hydrogen 2.792 N/A ILE 240.A N THR 236.A O no hydrogen 2.978 N/A LEU 241.A N LEU 237.A O no hydrogen 3.254 N/A GLN 242.A N ARG 239.A O no hydrogen 3.225 N/A GLN 242.A NE2 ASP 238.A O no hydrogen 2.947 N/A GLN 243.A N ARG 239.A O no hydrogen 2.950 N/A ILE 244.A N ILE 240.A O no hydrogen 3.111 N/A ASN 245.A N GLN 242.A O no hydrogen 3.195 N/A THR 246.A N GLN 243.A O no hydrogen 2.900 N/A THR 246.A OG1 GLN 243.A O no hydrogen 3.489 N/A SER 247.A N GLN 243.A O no hydrogen 2.924 N/A SER 247.A OG TYR 249.A O no hydrogen 3.399 N/A TYR 249.A N SER 247.A OG no hydrogen 2.995 N/A VAL 250.A N ILE 8.A O no hydrogen 3.085 N/A GLY 254.A N ASP 251.A OD1 no hydrogen 2.935 N/A ILE 255.A N ASP 251.A O no hydrogen 2.967 N/A VAL 256.A N ILE 252.A O no hydrogen 2.984 N/A TYR 257.A N PHE 253.A O no hydrogen 2.993 N/A ALA 258.A N GLY 254.A O no hydrogen 3.136 N/A MET 259.A N ILE 255.A O no hydrogen 2.986 N/A ARG 260.A N VAL 256.A O no hydrogen 2.847 N/A ARG 260.A NH2 VAL 267.A O no hydrogen 2.601 N/A LYS 261.A N TYR 257.A O no hydrogen 3.286 N/A GLU 262.A N MET 259.A O no hydrogen 2.710 N/A ARG 263.A N MET 259.A O no hydrogen 3.072 N/A ARG 263.A NE GLY 227.A O no hydrogen 2.773 N/A ARG 263.A NH1 ASN 84.A OD1 no hydrogen 2.620 N/A ARG 263.A NH1 ASN 86.A OD1 no hydrogen 3.079 N/A ARG 263.A NH2 ASN 84.A OD1 no hydrogen 2.886 N/A ARG 263.A NH2 ALA 226.A O no hydrogen 2.614 N/A ARG 263.A NH2 GLY 227.A O no hydrogen 3.506 N/A GLN 268.A N GLN 272.A OE1 no hydrogen 3.237 N/A THR 269.A N GLN 272.A OE1 no hydrogen 3.385 N/A GLN 272.A N THR 269.A OG1 no hydrogen 3.215 N/A TYR 273.A N THR 269.A O no hydrogen 3.061 N/A TYR 273.A OH GLU 31.A OE2 no hydrogen 2.629 N/A ILE 274.A N GLU 270.A O no hydrogen 2.909 N/A CYS 275.A N GLN 271.A O no hydrogen 2.898 N/A ILE 276.A N GLN 272.A O no hydrogen 2.847 N/A HIS 277.A N TYR 273.A O no hydrogen 3.460 N/A HIS 277.A ND1 TYR 273.A O no hydrogen 2.887 N/A GLN 278.A N ILE 274.A O no hydrogen 2.967 N/A GLN 278.A NE2 TYR 17.A OH no hydrogen 2.665 N/A CYS 279.A N CYS 275.A O no hydrogen 2.920 N/A CYS 279.A SG PRO 199.A O no hydrogen 3.819 N/A CYS 279.A SG CYS 275.A O no hydrogen 3.645 N/A LEU 280.A N ILE 276.A O no hydrogen 3.284 N/A LEU 281.A N HIS 277.A O no hydrogen 2.951 N/A ALA 282.A N GLN 278.A O no hydrogen 3.007 N/A VAL 283.A N CYS 279.A O no hydrogen 3.092 N/A LEU 284.A N LEU 280.A O no hydrogen 2.850 N/A GLU 285.A N ALA 282.A O no hydrogen 3.072 N/A GLY 286.A N VAL 283.A O no hydrogen 2.976 N/A LYS 287.A N ALA 282.A O no hydrogen 2.601 N/A