Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3o1j_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.477 N/A LYS 3.A NZ TRP 58.A O no hydrogen 2.519 N/A ILE 4.A N ASN 33.A O no hydrogen 2.976 N/A CYS 5.A N ALA 62.A O no hydrogen 3.037 N/A CYS 5.A SG ARG 35.A O no hydrogen 3.870 N/A ALA 6.A N ARG 35.A O no hydrogen 2.889 N/A ILE 7.A N ILE 64.A O no hydrogen 2.879 N/A TYR 8.A N LEU 37.A O no hydrogen 2.827 N/A SER 14.A OG HIS 222.A ND1 no hydrogen 2.332 N/A TYR 15.A OH ASP 239.A OD1 no hydrogen 2.679 N/A LEU 17.A N ASP 13.A O no hydrogen 3.261 N/A SER 18.A N SER 14.A O no hydrogen 3.104 N/A SER 18.A OG SER 14.A O no hydrogen 3.006 N/A SER 18.A OG SER 285.A O no hydrogen 3.422 N/A VAL 19.A N TYR 15.A O no hydrogen 2.968 N/A ASN 20.A N TRP 16.A O no hydrogen 2.763 N/A ASN 20.A ND2 TYR 8.A OH no hydrogen 2.915 N/A ASN 20.A ND2 THR 294.A O no hydrogen 3.263 N/A TYR 21.A N LEU 17.A O no hydrogen 3.082 N/A GLY 22.A N SER 18.A O no hydrogen 3.061 N/A MET 23.A N VAL 19.A O no hydrogen 3.106 N/A VAL 24.A N ASN 20.A O no hydrogen 2.847 N/A SER 25.A N TYR 21.A O no hydrogen 2.907 N/A GLU 26.A N GLY 22.A O no hydrogen 2.880 N/A ALA 27.A N MET 23.A O no hydrogen 2.662 N/A GLU 28.A N SER 25.A O no hydrogen 3.304 N/A LYS 29.A N SER 25.A O no hydrogen 3.269 N/A GLN 30.A N GLU 26.A O no hydrogen 2.728 N/A GLY 31.A N GLU 28.A O no hydrogen 3.340 N/A VAL 32.A N ALA 27.A O no hydrogen 2.879 N/A ASN 33.A N GLU 2.A O no hydrogen 2.719 N/A ARG 35.A N ILE 4.A O no hydrogen 2.981 N/A VAL 36.A N PHE 295.A O no hydrogen 2.814 N/A LEU 37.A N ALA 6.A O no hydrogen 2.727 N/A ALA 39.A N TYR 8.A O no hydrogen 2.966 N/A TYR 42.A OH ASN 91.A OD1 no hydrogen 3.181 N/A ASN 44.A N GLY 41.A O no hydrogen 2.920 N/A LYS 45.A N PRO 43.A O no hydrogen 2.786 N/A GLN 48.A N ASN 44.A O no hydrogen 3.163 N/A GLN 48.A NE2 TYR 8.A O no hydrogen 3.521 N/A GLN 48.A NE2 GLY 66.A O no hydrogen 2.878 N/A GLU 49.A N LYS 45.A O no hydrogen 3.245 N/A GLN 50.A N SER 46.A O no hydrogen 3.011 N/A GLN 51.A N ARG 47.A O no hydrogen 2.963 N/A GLN 51.A NE2 GLU 38.A O no hydrogen 3.449 N/A LEU 52.A N GLN 48.A O no hydrogen 2.760 N/A ALA 53.A N GLU 49.A O no hydrogen 2.914 N/A LEU 54.A N GLN 50.A O no hydrogen 2.680 N/A CYS 55.A N GLN 51.A O no hydrogen 2.904 N/A CYS 55.A SG GLN 51.A O no hydrogen 3.731 N/A THR 56.A N LEU 52.A O no hydrogen 3.410 N/A THR 56.A OG1 LEU 52.A O no hydrogen 3.251 N/A THR 56.A OG1 TRP 80.A O no hydrogen 3.085 N/A GLN 57.A N ALA 53.A O no hydrogen 3.097 N/A GLN 57.A NE2 ALA 53.A O no hydrogen 3.588 N/A TRP 58.A N LEU 54.A O no hydrogen 3.070 N/A TRP 58.A N CYS 55.A O no hydrogen 3.167 N/A GLY 59.A N THR 56.A O no hydrogen 2.646 N/A ALA 60.A N CYS 55.A O no hydrogen 3.303 N/A ASN 61.A N LYS 3.A O no hydrogen 2.709 N/A ASN 61.A ND2 LYS 3.A O no hydrogen 3.695 N/A ALA 62.A N LYS 3.A O no hydrogen 3.348 N/A ILE 63.A N PRO 85.A O no hydrogen 2.767 N/A ILE 64.A N CYS 5.A O no hydrogen 2.818 N/A LEU 65.A N PHE 87.A O no hydrogen 2.756 N/A GLY 66.A N ILE 7.A O no hydrogen 2.747 N/A THR 67.A OG1 GLN 92.A O no hydrogen 3.501 N/A VAL 68.A N GLN 48.A OE1 no hydrogen 2.827 N/A TYR 73.A OH GLN 48.A OE1 no hydrogen 2.581 N/A HIS 75.A ND1 ASP 96.A OD2 no hydrogen 2.699 N/A TRP 80.A N LEU 77.A O no hydrogen 2.726 N/A VAL 81.A N LEU 77.A O no hydrogen 2.692 N/A THR 84.A N VAL 81.A O no hydrogen 3.335 N/A THR 84.A OG1 VAL 81.A O no hydrogen 2.680 N/A VAL 86.A N LEU 102.A O no hydrogen 2.847 N/A PHE 87.A N ILE 63.A O no hydrogen 2.690 N/A ALA 88.A N GLY 105.A O no hydrogen 2.788 N/A THR 89.A N LEU 65.A O no hydrogen 3.088 N/A ASN 91.A N THR 89.A O no hydrogen 2.379 N/A ASP 96.A N GLU 74.A O no hydrogen 3.235 N/A GLU 98.A N GLU 97.A OE2 no hydrogen 2.480 N/A GLN 99.A N ASP 96.A O no hydrogen 3.041 N/A GLN 99.A N ASP 96.A OD1 no hydrogen 2.680 N/A SER 100.A N ASP 96.A O no hydrogen 2.714 N/A SER 100.A OG GLU 97.A O no hydrogen 2.816 N/A THR 101.A OG1 GLU 98.A O no hydrogen 3.186 N/A LEU 102.A N GLN 99.A O no hydrogen 2.970 N/A LEU 103.A N SER 100.A O no hydrogen 2.856 N/A LYS 104.A N VAL 86.A O no hydrogen 2.979 N/A LYS 104.A NZ THR 101.A O no hydrogen 2.952 N/A GLU 106.A N LYS 263.A O no hydrogen 2.939 N/A VAL 107.A N ALA 88.A O no hydrogen 3.132 N/A TRP 111.A NE1 ASP 239.A OD1 no hydrogen 3.085 N/A TYR 112.A N ASP 110.A OD1 no hydrogen 2.852 N/A TRP 113.A N ASP 110.A O no hydrogen 3.137 N/A TYR 116.A N TYR 112.A O no hydrogen 2.862 N/A GLU 117.A N TRP 113.A O no hydrogen 2.923 N/A ALA 118.A N MET 114.A O no hydrogen 3.453 N/A GLY 119.A N GLY 115.A O no hydrogen 3.096 N/A LYS 120.A N TYR 116.A O no hydrogen 2.782 N/A LYS 120.A NZ GLU 117.A OE2 no hydrogen 3.425 N/A TYR 121.A N GLU 117.A O no hydrogen 3.029 N/A LEU 122.A N ALA 118.A O no hydrogen 3.469 N/A ALA 123.A N GLY 119.A O no hydrogen 2.759 N/A GLU 124.A N LYS 120.A O no hydrogen 2.996 N/A ARG 125.A N TYR 121.A O no hydrogen 3.103 N/A ARG 125.A NE TYR 121.A OH no hydrogen 3.553 N/A HIS 126.A N LEU 122.A O no hydrogen 2.918 N/A HIS 126.A NE2 TYR 189.A OH no hydrogen 2.894 N/A GLY 129.A N ASP 158.A OD1 no hydrogen 2.602 N/A SER 130.A N PRO 127.A O no hydrogen 3.137 N/A SER 130.A OG PRO 127.A O no hydrogen 2.620 N/A GLY 131.A N ASP 158.A OD2 no hydrogen 2.613 N/A THR 133.A N ASP 158.A O no hydrogen 2.894 N/A THR 133.A OG1 HIS 126.A ND1 no hydrogen 3.256 N/A THR 133.A OG1 GLY 131.A O no hydrogen 2.948 N/A ASN 134.A N ASP 188.A OD1 no hydrogen 2.914 N/A ASN 134.A ND2 ASN 186.A O no hydrogen 2.997 N/A ILE 135.A N HIS 160.A O no hydrogen 2.664 N/A ALA 136.A N TYR 189.A O no hydrogen 3.088 N/A LEU 137.A N ASP 163.A O no hydrogen 2.931 N/A LEU 138.A N VAL 191.A O no hydrogen 2.839 N/A LYS 144.A N THR 143.A OG1 no hydrogen 2.660 N/A LYS 144.A NZ PRO 141.A O no hydrogen 3.204 N/A THR 148.A N LYS 144.A O no hydrogen 3.334 N/A THR 148.A OG1 PRO 145.A O no hydrogen 3.009 N/A GLY 149.A N PRO 145.A O no hydrogen 2.947 N/A PHE 150.A N VAL 146.A O no hydrogen 2.925 N/A TYR 151.A N THR 147.A O no hydrogen 2.895 N/A GLU 152.A N THR 148.A O no hydrogen 3.006 N/A ALA 153.A N GLY 149.A O no hydrogen 3.247 N/A ILE 154.A N PHE 150.A O no hydrogen 2.961 N/A LYS 155.A N GLU 152.A O no hydrogen 3.164 N/A SER 157.A OG ILE 154.A O no hydrogen 2.744 N/A HIS 160.A N THR 133.A O no hydrogen 2.705 N/A VAL 162.A N ILE 135.A O no hydrogen 2.741 N/A SER 164.A N ASP 163.A OD1 no hydrogen 2.611 N/A PHE 165.A N LEU 137.A O no hydrogen 3.021 N/A ALA 167.A N GLY 140.A O no hydrogen 2.779 N/A GLU 172.A N ASP 170.A OD1 no hydrogen 3.222 N/A LEU 173.A N ASP 170.A OD2 no hydrogen 3.342 N/A GLN 174.A N ASP 170.A O no hydrogen 2.852 N/A GLN 174.A NE2 ASP 168.A O no hydrogen 2.906 N/A ARG 175.A N LYS 171.A O no hydrogen 2.881 N/A ARG 175.A NE GLU 203.A OE1 no hydrogen 3.064 N/A ARG 175.A NH1 GLU 172.A OE2 no hydrogen 2.536 N/A ASN 176.A N GLU 172.A O no hydrogen 3.161 N/A LEU 177.A N LEU 173.A O no hydrogen 3.361 N/A VAL 178.A N GLN 174.A O no hydrogen 3.050 N/A GLN 179.A N ARG 175.A O no hydrogen 3.032 N/A ARG 180.A N ASN 176.A O no hydrogen 3.027 N/A VAL 181.A N LEU 177.A O no hydrogen 2.697 N/A ILE 182.A N VAL 178.A O no hydrogen 2.874 N/A ASP 183.A N GLN 179.A O no hydrogen 3.205 N/A MET 184.A N ARG 180.A O no hydrogen 3.315 N/A MET 184.A N VAL 181.A O no hydrogen 3.262 N/A GLY 185.A N ILE 182.A O no hydrogen 3.119 N/A ASP 188.A N ASN 134.A O no hydrogen 2.710 N/A TYR 189.A N ASN 134.A O no hydrogen 3.377 N/A TYR 189.A OH HIS 126.A NE2 no hydrogen 2.894 N/A ILE 190.A N GLY 214.A O no hydrogen 2.956 N/A VAL 191.A N ALA 136.A O no hydrogen 2.957 N/A GLY 192.A N VAL 216.A O no hydrogen 3.046 N/A SER 193.A N LEU 138.A O no hydrogen 2.968 N/A SER 193.A OG ASN 169.A OD1 no hydrogen 3.426 N/A ALA 196.A N SER 193.A OG no hydrogen 3.340 N/A ILE 197.A N SER 193.A O no hydrogen 2.843 N/A GLU 198.A N ALA 194.A O no hydrogen 2.811 N/A ALA 199.A N VAL 195.A O no hydrogen 3.046 N/A ALA 200.A N ALA 196.A O no hydrogen 2.792 N/A ILE 201.A N ILE 197.A O no hydrogen 2.898 N/A ILE 201.A N GLU 198.A O no hydrogen 3.210 N/A GLU 203.A N ALA 199.A O no hydrogen 2.863 N/A LEU 204.A N ALA 200.A O no hydrogen 2.751 N/A ARG 205.A N SER 202.A O no hydrogen 3.146 N/A SER 206.A N SER 202.A O no hydrogen 3.019 N/A SER 206.A OG SER 202.A O no hydrogen 3.403 N/A SER 206.A OG GLU 203.A O no hydrogen 3.413 N/A SER 206.A OG GLU 203.A OE2 no hydrogen 3.530 N/A ASP 208.A N ARG 205.A O no hydrogen 2.971 N/A LYS 209.A N LEU 204.A O no hydrogen 2.834 N/A THR 210.A OG1 LEU 204.A O no hydrogen 3.471 N/A ASP 212.A N LYS 209.A O no hydrogen 2.906 N/A ILE 213.A N LYS 209.A O no hydrogen 3.220 N/A GLY 214.A N ASP 188.A O no hydrogen 2.843 N/A VAL 216.A N ILE 190.A O no hydrogen 3.200 N/A SER 217.A N PHE 235.A O no hydrogen 2.890 N/A SER 217.A OG TYR 219.A O no hydrogen 2.845 N/A VAL 218.A N GLY 192.A O no hydrogen 2.805 N/A SER 221.A OG GLU 198.A OE2 no hydrogen 2.764 N/A SER 221.A OG HIS 222.A O no hydrogen 2.780 N/A HIS 222.A N SER 14.A OG no hydrogen 2.800 N/A HIS 222.A ND1 SER 14.A OG no hydrogen 2.332 N/A HIS 222.A NE2 SER 287.A O no hydrogen 3.174 N/A HIS 222.A NE2 SER 287.A OG no hydrogen 3.134 N/A VAL 224.A N SER 221.A OG no hydrogen 3.397 N/A TYR 225.A N SER 221.A O no hydrogen 2.773 N/A GLY 227.A N GLY 223.A O no hydrogen 2.937 N/A LEU 228.A N VAL 224.A O no hydrogen 2.947 N/A LEU 229.A N TYR 225.A O no hydrogen 2.886 N/A ARG 230.A N ARG 226.A O no hydrogen 3.196 N/A ARG 230.A N GLY 227.A O no hydrogen 3.276 N/A ASN 231.A N LEU 228.A O no hydrogen 2.893 N/A LYS 232.A N GLY 227.A O no hydrogen 2.641 N/A VAL 233.A N GLY 227.A O no hydrogen 3.238 N/A LEU 234.A N LEU 215.A O no hydrogen 2.810 N/A ALA 236.A N LEU 272.A O no hydrogen 3.078 N/A THR 238.A N LYS 270.A O no hydrogen 2.862 N/A LYS 240.A NZ ILE 268.A O no hydrogen 3.208 N/A VAL 242.A N SER 285.A O no hydrogen 3.294 N/A GLN 243.A N GLU 284.A O no hydrogen 3.142 N/A GLN 244.A N LYS 240.A O no hydrogen 2.913 N/A GLY 245.A N MET 241.A O no hydrogen 2.862 N/A ARG 246.A N VAL 242.A O no hydrogen 2.936 N/A ARG 246.A NH1 SER 25.A OG no hydrogen 3.040 N/A ARG 246.A NH1 GLU 26.A OE2 no hydrogen 2.860 N/A ARG 246.A NH2 SER 25.A OG no hydrogen 3.029 N/A LEU 247.A N GLN 243.A O no hydrogen 2.848 N/A SER 248.A N GLN 244.A O no hydrogen 3.291 N/A SER 248.A OG ALA 88.A O no hydrogen 3.519 N/A VAL 249.A N GLY 245.A O no hydrogen 3.500 N/A MET 250.A N ARG 246.A O no hydrogen 2.813 N/A GLN 251.A N LEU 247.A O no hydrogen 2.732 N/A GLN 251.A NE2 GLU 106.A O no hydrogen 2.959 N/A GLN 251.A NE2 GLU 262.A O no hydrogen 2.991 N/A GLN 251.A NE2 LYS 263.A O no hydrogen 3.512 N/A ALA 252.A N SER 248.A O no hydrogen 3.092 N/A ALA 253.A N VAL 249.A O no hydrogen 2.714 N/A HIS 254.A N MET 250.A O no hydrogen 2.824 N/A HIS 254.A ND1 PRO 260.A O no hydrogen 2.757 N/A TYR 255.A N GLN 251.A O no hydrogen 2.843 N/A LEU 256.A N ALA 252.A O no hydrogen 3.110 N/A ARG 257.A N ALA 253.A O no hydrogen 2.902 N/A ARG 257.A NH2 GLN 30.A O no hydrogen 2.499 N/A ARG 257.A NH2 GLY 31.A O no hydrogen 3.116 N/A GLN 259.A N HIS 254.A O no hydrogen 3.012 N/A TYR 261.A OH LYS 104.A O no hydrogen 2.523 N/A GLN 264.A NE2 GLU 106.A OE2 no hydrogen 2.894 N/A ALA 265.A N GLU 106.A O no hydrogen 2.842 N/A SER 266.A OG GLY 108.A O no hydrogen 3.199 N/A SER 266.A OG PRO 267.A O no hydrogen 3.545 N/A LYS 270.A N THR 238.A O no hydrogen 3.118 N/A LEU 272.A N ALA 236.A O no hydrogen 2.996 N/A THR 273.A N THR 276.A OG1 no hydrogen 3.303 N/A THR 273.A OG1 THR 276.A OG1 no hydrogen 2.575 N/A THR 276.A N THR 273.A O no hydrogen 2.769 N/A THR 276.A OG1 THR 273.A O no hydrogen 3.472 N/A THR 276.A OG1 THR 273.A OG1 no hydrogen 2.575 N/A ILE 282.A N HIS 278.A O no hydrogen 3.105 N/A GLU 283.A N ASP 279.A O no hydrogen 2.789 N/A SER 285.A N ILE 282.A O no hydrogen 2.739 N/A SER 285.A OG THR 281.A O no hydrogen 2.875 N/A LEU 286.A N ILE 282.A O no hydrogen 3.009 N/A SER 287.A N SER 18.A OG no hydrogen 3.077 N/A SER 287.A OG HIS 222.A NE2 no hydrogen 3.134 N/A TYR 291.A N PRO 288.A O no hydrogen 3.117 N/A TYR 291.A OH ASN 20.A OD1 no hydrogen 2.622 N/A THR 294.A N ASN 20.A OD1 no hydrogen 2.989 N/A THR 294.A N TYR 291.A OH no hydrogen 3.309 N/A THR 294.A OG1 ARG 292.A O no hydrogen 3.184 N/A