Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jit_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD1 no hydrogen 2.651 N/A SER 1.A N ASP 4.A OD2 no hydrogen 2.830 N/A GLN 5.A N GLN 5.A OE1 no hydrogen 2.559 N/A ARG 7.A N LEU 3.A O no hydrogen 3.299 N/A GLN 8.A N ASP 4.A O no hydrogen 3.087 N/A GLU 9.A N GLN 5.A O no hydrogen 2.605 N/A ALA 10.A N LEU 6.A O no hydrogen 2.571 N/A GLU 11.A N ARG 7.A O no hydrogen 2.589 N/A GLN 12.A N GLN 8.A O no hydrogen 3.148 N/A LEU 13.A N GLU 9.A O no hydrogen 2.893 N/A LYS 14.A N ALA 10.A O no hydrogen 2.921 N/A ASN 15.A N GLU 11.A O no hydrogen 2.879 N/A GLN 16.A N GLN 12.A O no hydrogen 2.882 N/A ILE 17.A N LEU 13.A O no hydrogen 2.896 N/A ARG 18.A N LYS 14.A O no hydrogen 2.916 N/A ASP 19.A N ASN 15.A O no hydrogen 2.888 N/A ALA 20.A N GLN 16.A O no hydrogen 2.896 N/A ARG 21.A N ILE 17.A O no hydrogen 2.735 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 2.263 N/A LYS 22.A N ARG 18.A O no hydrogen 2.772 N/A ALA 23.A N ASP 19.A O no hydrogen 3.293 N/A CYS 24.A N ARG 21.A O no hydrogen 3.272 N/A CYS 24.A SG ALA 20.A O no hydrogen 3.507 N/A ALA 25.A N LYS 22.A O no hydrogen 3.030 N/A THR 33.A N LEU 29.A O no hydrogen 2.897 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.517 N/A THR 33.A OG1 SER 30.A O no hydrogen 3.330 N/A THR 33.A OG1 LEU 299.A O no hydrogen 3.064 N/A ASN 34.A N GLN 31.A O no hydrogen 3.255 N/A ILE 42.A N ALA 304.A O no hydrogen 3.079 N/A THR 46.A OG1 ARG 48.A O no hydrogen 3.452 N/A ARG 47.A N ILE 337.A O no hydrogen 2.741 N/A ARG 47.A NE ARG 45.A O no hydrogen 3.336 N/A ARG 48.A NE SER 83.A O no hydrogen 3.104 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 2.821 N/A LEU 50.A N LEU 335.A O no hydrogen 3.093 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.520 N/A TYR 58.A N ALA 72.A O no hydrogen 2.911 N/A ALA 59.A N ALA 72.A O no hydrogen 3.374 N/A HIS 61.A N VAL 70.A O no hydrogen 3.073 N/A GLY 63.A N LEU 68.A O no hydrogen 3.300 N/A THR 64.A OG1 PRO 106.A O no hydrogen 2.737 N/A SER 66.A N GLY 63.A O no hydrogen 2.990 N/A SER 66.A OG ASP 65.A O no hydrogen 2.669 N/A SER 66.A OG ASP 322.A OD1 no hydrogen 2.823 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.381 N/A VAL 70.A N HIS 61.A O no hydrogen 3.186 N/A SER 71.A N ILE 79.A O no hydrogen 2.913 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.520 N/A ALA 72.A N ALA 59.A O no hydrogen 3.015 N/A SER 73.A OG HIS 53.A ND1 no hydrogen 3.224 N/A GLN 74.A N LYS 56.A O no hydrogen 3.080 N/A ASP 75.A N SER 73.A OG no hydrogen 3.086 N/A GLY 76.A N SER 73.A O no hydrogen 3.417 N/A LEU 78.A N ILE 92.A O no hydrogen 2.904 N/A ILE 79.A N SER 71.A O no hydrogen 3.115 N/A ILE 80.A N HIS 90.A O no hydrogen 2.912 N/A TRP 81.A N LEU 69.A O no hydrogen 2.853 N/A TRP 81.A NE1 SER 71.A OG no hydrogen 3.095 N/A SER 83.A N ARG 67.A O no hydrogen 2.869 N/A SER 83.A OG ARG 67.A O no hydrogen 2.631 N/A THR 86.A N ASP 82.A O no hydrogen 2.390 N/A THR 86.A OG1 THR 85.A O no hydrogen 2.373 N/A VAL 89.A N ILE 80.A O no hydrogen 2.784 N/A ILE 92.A N LEU 78.A O no hydrogen 2.888 N/A TRP 98.A N SER 96.A OG no hydrogen 3.315 N/A MET 100.A N GLY 114.A O no hydrogen 2.891 N/A THR 101.A N GLY 114.A O no hydrogen 3.158 N/A ALA 103.A N ALA 112.A O no hydrogen 2.893 N/A ALA 105.A N TYR 110.A O no hydrogen 2.835 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.748 N/A SER 107.A OG ASP 153.A OD2 no hydrogen 2.476 N/A GLY 108.A N ALA 105.A O no hydrogen 2.906 N/A ASN 109.A ND2 SER 107.A O no hydrogen 3.168 N/A VAL 111.A N TYR 123.A O no hydrogen 2.959 N/A ALA 112.A N ALA 103.A O no hydrogen 2.720 N/A CYS 113.A N SER 121.A O no hydrogen 2.887 N/A CYS 113.A SG THR 101.A O no hydrogen 3.981 N/A GLY 115.A N ASP 117.A OD1 no hydrogen 3.256 N/A LEU 116.A N TRP 98.A O no hydrogen 3.140 N/A ASN 118.A N GLY 115.A O no hydrogen 3.416 N/A ILE 119.A N ASP 117.A OD1 no hydrogen 3.422 N/A CYS 120.A N LEU 138.A O no hydrogen 2.902 N/A CYS 120.A SG CYS 113.A O no hydrogen 3.531 N/A ILE 122.A N ARG 136.A O no hydrogen 2.880 N/A TYR 123.A N VAL 111.A O no hydrogen 2.867 N/A ASN 124.A N ARG 133.A O no hydrogen 3.304 N/A LEU 125.A N ASN 109.A O no hydrogen 2.932 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.118 N/A ARG 133.A NH2 ASN 131.A OD1 no hydrogen 3.195 N/A SER 135.A N ILE 122.A O no hydrogen 2.823 N/A ARG 136.A N ILE 122.A O no hydrogen 2.943 N/A LEU 138.A N CYS 120.A O no hydrogen 2.901 N/A THR 142.A N ASP 162.A OD2 no hydrogen 3.122 N/A THR 142.A OG1 ASP 162.A OD2 no hydrogen 3.554 N/A TYR 144.A OH ASP 185.A OD2 no hydrogen 2.635 N/A LEU 145.A N GLY 115.A O no hydrogen 3.046 N/A SER 146.A OG SER 159.A OG no hydrogen 2.896 N/A SER 146.A OG VAL 186.A O no hydrogen 2.477 N/A SER 146.A OG MET 187.A O no hydrogen 2.881 N/A CYS 147.A SG LEU 189.A O no hydrogen 3.917 N/A CYS 148.A N THR 101.A OG1 no hydrogen 3.186 N/A ARG 149.A N VAL 157.A O no hydrogen 2.886 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 3.294 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 3.017 N/A LEU 151.A N GLN 155.A O no hydrogen 3.259 N/A ASP 152.A N GLN 155.A O no hydrogen 3.437 N/A ASN 154.A N ASP 152.A OD1 no hydrogen 3.306 N/A GLN 155.A N ASP 152.A OD1 no hydrogen 2.899 N/A ILE 156.A N TRP 168.A O no hydrogen 2.921 N/A VAL 157.A N ARG 149.A O no hydrogen 2.923 N/A THR 158.A N ALA 166.A O no hydrogen 2.920 N/A THR 158.A OG1 SER 159.A O no hydrogen 3.327 N/A SER 159.A N CYS 147.A O no hydrogen 2.796 N/A SER 159.A OG SER 146.A OG no hydrogen 2.896 N/A SER 159.A OG CYS 147.A O no hydrogen 2.678 N/A SER 160.A OG GLY 143.A O no hydrogen 3.217 N/A SER 160.A OG TYR 144.A O no hydrogen 3.119 N/A GLY 161.A N TYR 144.A O no hydrogen 2.379 N/A ASP 162.A N SER 160.A OG no hydrogen 3.423 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.223 N/A THR 163.A OG1 HIS 182.A O no hydrogen 3.537 N/A THR 164.A N ASP 162.A OD1 no hydrogen 2.952 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.521 N/A ALA 166.A N THR 158.A O no hydrogen 2.901 N/A LEU 167.A N THR 177.A O no hydrogen 2.921 N/A TRP 168.A N ILE 156.A O no hydrogen 2.875 N/A ASP 169.A N GLN 174.A O no hydrogen 3.392 N/A ILE 170.A N ASN 154.A O no hydrogen 2.680 N/A GLU 171.A N ASP 169.A OD1 no hydrogen 3.386 N/A THR 172.A OG1 ASP 169.A O no hydrogen 3.285 N/A GLY 173.A N ASP 169.A O no hydrogen 2.657 N/A THR 176.A N LEU 167.A O no hydrogen 2.507 N/A THR 178.A OG1 GLN 175.A OE1 no hydrogen 2.998 N/A PHE 179.A N CYS 165.A O no hydrogen 2.881 N/A HIS 182.A NE2 SER 200.A OG no hydrogen 3.120 N/A THR 183.A OG1 ASP 204.A OD2 no hydrogen 2.539 N/A VAL 186.A N SER 160.A O no hydrogen 3.276 N/A MET 187.A N GLY 201.A O no hydrogen 3.155 N/A SER 190.A N VAL 199.A O no hydrogen 2.882 N/A ALA 192.A N LEU 197.A O no hydrogen 2.852 N/A THR 195.A N ALA 192.A O no hydrogen 2.897 N/A THR 195.A OG1 ASP 194.A O no hydrogen 2.384 N/A VAL 199.A N SER 190.A O no hydrogen 2.932 N/A SER 200.A N LYS 208.A O no hydrogen 2.895 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 3.120 N/A GLY 201.A N SER 188.A O no hydrogen 2.909 N/A ALA 202.A N SER 206.A O no hydrogen 3.305 N/A CYS 203.A N ASP 185.A O no hydrogen 2.762 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.482 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.354 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 2.976 N/A ALA 207.A N PHE 221.A O no hydrogen 2.998 N/A LYS 208.A N SER 200.A O no hydrogen 2.918 N/A LEU 209.A N GLN 219.A O no hydrogen 3.262 N/A TRP 210.A N PHE 198.A O no hydrogen 2.907 N/A TRP 210.A NE1 SER 200.A OG no hydrogen 3.086 N/A GLY 215.A N ASP 211.A O no hydrogen 2.453 N/A MET 216.A N ASP 211.A OD1 no hydrogen 2.765 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.962 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.627 N/A ARG 218.A N LEU 209.A O no hydrogen 3.179 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 2.911 N/A PHE 221.A N ALA 207.A O no hydrogen 2.910 N/A HIS 224.A NE2 THR 242.A O no hydrogen 2.854 N/A GLU 225.A N ASP 246.A OD2 no hydrogen 3.295 N/A SER 226.A N ASP 246.A OD2 no hydrogen 2.944 N/A SER 226.A OG ASP 246.A OD1 no hydrogen 2.826 N/A ILE 228.A N ALA 202.A O no hydrogen 2.957 N/A ASN 229.A N GLY 243.A O no hydrogen 2.910 N/A ASN 229.A ND2 ILE 272.A O no hydrogen 2.995 N/A CYS 232.A N ALA 241.A O no hydrogen 3.174 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.850 N/A CYS 232.A SG VAL 275.A O no hydrogen 3.708 N/A PHE 233.A N SER 190.A OG no hydrogen 3.321 N/A PHE 234.A N ALA 239.A O no hydrogen 2.400 N/A GLY 237.A N PHE 234.A O no hydrogen 2.728 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 2.783 N/A PHE 240.A N PHE 252.A O no hydrogen 2.975 N/A ALA 241.A N CYS 232.A O no hydrogen 2.959 N/A THR 242.A N ARG 250.A O no hydrogen 2.900 N/A GLY 243.A N ALA 230.A O no hydrogen 2.983 N/A SER 244.A N THR 248.A O no hydrogen 2.946 N/A SER 244.A OG SER 226.A O no hydrogen 2.977 N/A SER 244.A OG ASP 227.A O no hydrogen 2.589 N/A SER 244.A OG ASP 246.A OD2 no hydrogen 2.928 N/A ASP 245.A N ASP 227.A O no hydrogen 3.135 N/A ARG 250.A N THR 242.A O no hydrogen 2.878 N/A LEU 251.A N MET 261.A O no hydrogen 2.919 N/A PHE 252.A N PHE 240.A O no hydrogen 2.906 N/A ASP 253.A N GLN 258.A O no hydrogen 3.074 N/A LEU 254.A N ASN 238.A O no hydrogen 3.397 N/A ALA 256.A N ASP 253.A O no hydrogen 3.267 N/A ASP 257.A N LEU 254.A O no hydrogen 3.390 N/A LEU 260.A N LEU 251.A O no hydrogen 2.566 N/A TYR 263.A N CYS 249.A O no hydrogen 2.883 N/A TYR 263.A OH ALA 298.A O no hydrogen 3.206 N/A ASN 267.A N HIS 265.A ND1 no hydrogen 3.034 N/A CYS 270.A SG ASP 290.A OD1 no hydrogen 3.007 N/A ILE 272.A N SER 244.A O no hydrogen 2.783 N/A THR 273.A N GLY 287.A O no hydrogen 2.981 N/A SER 274.A OG SER 315.A O no hydrogen 2.801 N/A SER 276.A N LEU 285.A O no hydrogen 2.900 N/A SER 278.A N LEU 283.A O no hydrogen 3.110 N/A GLY 281.A N SER 278.A O no hydrogen 3.143 N/A GLY 281.A N SER 278.A OG no hydrogen 3.085 N/A ARG 282.A N SER 280.A OG no hydrogen 3.316 N/A LEU 283.A N SER 278.A OG no hydrogen 3.302 N/A LEU 284.A N TRP 296.A O no hydrogen 3.011 N/A LEU 285.A N SER 276.A O no hydrogen 2.909 N/A ALA 286.A N ASN 294.A O no hydrogen 3.151 N/A GLY 287.A N SER 274.A O no hydrogen 2.814 N/A CYS 293.A N LEU 307.A O no hydrogen 2.995 N/A CYS 293.A SG LEU 307.A O no hydrogen 3.973 N/A VAL 295.A N GLY 305.A O no hydrogen 2.718 N/A TRP 296.A N LEU 284.A O no hydrogen 3.201 N/A TRP 296.A NE1 TYR 288.A OH no hydrogen 3.027 N/A ALA 298.A N ARG 282.A O no hydrogen 2.916 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 3.441 N/A LYS 300.A NZ THR 33.A O no hydrogen 2.550 N/A LYS 300.A NZ THR 33.A OG1 no hydrogen 3.144 N/A ALA 301.A N ASP 297.A O no hydrogen 2.873 N/A ALA 304.A N VAL 295.A O no hydrogen 2.874 N/A LEU 307.A N CYS 293.A O no hydrogen 2.790 N/A HIS 310.A ND1 ASP 332.A OD2 no hydrogen 2.830 N/A HIS 310.A NE2 THR 328.A O no hydrogen 3.138 N/A HIS 310.A NE2 THR 328.A OG1 no hydrogen 3.047 N/A ASP 311.A N ASP 332.A OD2 no hydrogen 3.295 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.732 N/A ARG 313.A NE ASP 289.A OD1 no hydrogen 2.460 N/A SER 315.A N GLY 329.A O no hydrogen 2.897 N/A CYS 316.A N GLY 329.A O no hydrogen 3.363 N/A GLY 318.A N ALA 327.A O no hydrogen 2.910 N/A THR 320.A N ALA 325.A O no hydrogen 3.218 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 3.128 N/A THR 320.A OG1 ALA 325.A O no hydrogen 3.119 N/A GLY 323.A N THR 320.A O no hydrogen 3.032 N/A ALA 325.A N THR 320.A OG1 no hydrogen 3.199 N/A VAL 326.A N TRP 338.A O no hydrogen 3.010 N/A ALA 327.A N GLY 318.A O no hydrogen 2.888 N/A THR 328.A N LYS 336.A O no hydrogen 2.935 N/A THR 328.A OG1 HIS 310.A NE2 no hydrogen 3.047 N/A THR 328.A OG1 LYS 336.A O no hydrogen 3.330 N/A GLY 329.A N CYS 316.A O no hydrogen 2.927 N/A SER 330.A OG ASN 312.A O no hydrogen 2.955 N/A SER 330.A OG ARG 313.A O no hydrogen 3.166 N/A TRP 331.A N ARG 313.A O no hydrogen 3.002 N/A SER 333.A N SER 330.A O no hydrogen 3.186 N/A SER 333.A OG ASP 332.A O no hydrogen 2.580 N/A PHE 334.A N ASP 332.A OD1 no hydrogen 3.094 N/A LYS 336.A N THR 328.A O no hydrogen 2.924 N/A ILE 337.A N ARG 48.A O no hydrogen 3.240 N/A TRP 338.A N VAL 326.A O no hydrogen 2.700 N/A TRP 338.A NE1 THR 328.A OG1 no hydrogen 2.839 N/A