Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 4.A OE1 no hydrogen 3.139 N/A LEU 5.A N THR 1.A O no hydrogen 2.995 N/A ALA 7.A N PRO 3.A O no hydrogen 2.968 N/A TRP 8.A N GLU 4.A O no hydrogen 2.870 N/A ALA 9.A N LEU 5.A O no hydrogen 2.937 N/A ALA 9.A N VAL 6.A O no hydrogen 3.040 N/A SER 17.A N GLN 66.A OE1 no hydrogen 3.295 N/A ARG 22.A NH1 ASP 62.A OD2 no hydrogen 2.376 N/A LEU 23.A N PRO 19.A O no hydrogen 3.348 N/A SER 24.A N VAL 20.A O no hydrogen 2.988 N/A SER 24.A OG VAL 20.A O no hydrogen 3.206 N/A PHE 25.A N ASP 21.A O no hydrogen 2.930 N/A LEU 26.A N ARG 22.A O no hydrogen 2.844 N/A LEU 27.A N LEU 23.A O no hydrogen 2.888 N/A ALA 28.A N SER 24.A O no hydrogen 2.943 N/A VAL 29.A N PHE 25.A O no hydrogen 2.935 N/A ALA 30.A N LEU 26.A O no hydrogen 2.890 N/A THR 31.A N LEU 27.A O no hydrogen 2.899 N/A THR 31.A OG1 LEU 27.A O no hydrogen 2.410 N/A LEU 32.A N ALA 28.A O no hydrogen 3.084 N/A ASN 33.A N VAL 29.A O no hydrogen 3.309 N/A SER 35.A OG GLU 38.A OE2 no hydrogen 3.404 N/A GLU 36.A N ALA 81.A O no hydrogen 2.647 N/A GLY 37.A N GLU 78.A O no hydrogen 3.146 N/A LEU 39.A N SER 35.A O no hydrogen 3.075 N/A VAL 40.A N GLU 36.A O no hydrogen 3.034 N/A ASP 41.A N GLY 37.A O no hydrogen 2.854 N/A ALA 42.A N GLU 38.A O no hydrogen 2.868 N/A PHE 43.A N LEU 39.A O no hydrogen 2.933 N/A ARG 44.A N VAL 40.A O no hydrogen 2.872 N/A HIS 45.A N ASP 41.A O no hydrogen 2.972 N/A HIS 45.A ND1 ASP 41.A O no hydrogen 2.868 N/A VAL 46.A N ALA 42.A O no hydrogen 2.968 N/A SER 47.A N PHE 43.A O no hydrogen 2.922 N/A ASP 48.A N ARG 44.A O no hydrogen 2.877 N/A ALA 49.A N HIS 45.A O no hydrogen 2.950 N/A PHE 50.A N SER 47.A O no hydrogen 3.318 N/A ARG 55.A N THR 51.A O no hydrogen 3.300 N/A ALA 56.A N ILE 52.A O no hydrogen 2.905 N/A ASN 57.A N GLY 53.A O no hydrogen 2.940 N/A ASN 58.A N VAL 54.A O no hydrogen 2.904 N/A ALA 59.A N ARG 55.A O no hydrogen 2.951 N/A ILE 60.A N ALA 56.A O no hydrogen 2.897 N/A ASN 61.A N ASN 57.A O no hydrogen 2.908 N/A ASP 62.A N ASN 58.A O no hydrogen 2.983 N/A MET 63.A N ALA 59.A O no hydrogen 2.881 N/A MET 63.A N ILE 60.A O no hydrogen 2.966 N/A VAL 64.A N ILE 60.A O no hydrogen 2.991 N/A ARG 65.A N ASN 61.A O no hydrogen 2.970 N/A ARG 71.A NE TYR 83.A OH no hydrogen 3.030 N/A PHE 72.A N ILE 82.A O no hydrogen 3.117 N/A ASN 80.A N ALA 77.A O no hydrogen 2.649 N/A ASN 80.A ND2 GLU 75.A O no hydrogen 2.640 N/A ILE 82.A N PHE 72.A O no hydrogen 2.863 N/A THR 86.A N LEU 68.A O no hydrogen 3.162 N/A THR 86.A OG1 ARG 67.A O no hydrogen 2.397 N/A ILE 90.A N THR 86.A O no hydrogen 3.090 N/A GLY 91.A N PRO 87.A O no hydrogen 2.877 N/A ILE 92.A N LEU 88.A O no hydrogen 3.094 N/A THR 93.A N GLY 89.A O no hydrogen 2.879 N/A THR 93.A OG1 GLY 89.A O no hydrogen 2.888 N/A THR 93.A OG1 ILE 90.A O no hydrogen 2.701 N/A ASP 94.A N ILE 90.A O no hydrogen 2.754 N/A TYR 95.A N GLY 91.A O no hydrogen 2.943 N/A TYR 95.A OH GLU 162.A OE2 no hydrogen 2.304 N/A ILE 97.A N THR 93.A O no hydrogen 2.984 N/A ARG 98.A N ASP 94.A O no hydrogen 2.641 N/A ARG 98.A NE ASP 94.A OD1 no hydrogen 3.183 N/A ARG 98.A NH2 ASP 94.A OD1 no hydrogen 3.333 N/A ARG 100.A NH1 ARG 100.A O no hydrogen 3.537 N/A ARG 106.A N SER 103.A O no hydrogen 2.849 N/A ARG 106.A NH1 THR 156.A OG1 no hydrogen 2.969 N/A LEU 107.A N SER 103.A O no hydrogen 3.252 N/A SER 108.A N THR 104.A O no hydrogen 2.909 N/A MET 109.A N LEU 105.A O no hydrogen 2.893 N/A GLN 110.A N ARG 106.A O no hydrogen 2.896 N/A GLN 110.A NE2 SER 152.A OG no hydrogen 2.886 N/A LEU 111.A N LEU 107.A O no hydrogen 2.970 N/A SER 112.A N SER 108.A O no hydrogen 2.972 N/A ILE 113.A N MET 109.A O no hydrogen 2.925 N/A VAL 114.A N GLN 110.A O no hydrogen 2.861 N/A ALA 115.A N LEU 111.A O no hydrogen 2.861 N/A GLY 116.A N SER 112.A O no hydrogen 2.974 N/A GLU 117.A N ILE 113.A O no hydrogen 3.020 N/A LEU 118.A N VAL 114.A O no hydrogen 2.850 N/A LYS 119.A N ALA 115.A O no hydrogen 2.887 N/A ARG 120.A N GLY 116.A O no hydrogen 2.954 N/A ALA 121.A N GLU 117.A O no hydrogen 2.939 N/A ALA 122.A N LEU 118.A O no hydrogen 2.981 N/A ASP 123.A N LYS 119.A O no hydrogen 2.909 N/A ALA 124.A N ARG 120.A O no hydrogen 2.904 N/A ALA 125.A N ALA 122.A O no hydrogen 2.704 N/A GLU 126.A N ALA 122.A O no hydrogen 2.931 N/A GLU 126.A N ASP 123.A O no hydrogen 3.018 N/A HIS 133.A N ASP 130.A OD1 no hydrogen 2.919 N/A TRP 134.A N ASP 130.A O no hydrogen 3.457 N/A HIS 135.A N GLU 131.A O no hydrogen 2.960 N/A ARG 136.A N PHE 132.A O no hydrogen 2.871 N/A ASN 137.A N HIS 133.A O no hydrogen 2.970 N/A VAL 138.A N TRP 134.A O no hydrogen 3.151 N/A TYR 139.A N TRP 134.A O no hydrogen 2.826 N/A ALA 140.A N HIS 135.A O no hydrogen 3.043 N/A LEU 142.A N VAL 138.A O no hydrogen 3.069 N/A LYS 143.A N TYR 139.A O no hydrogen 2.933 N/A TYR 144.A N ALA 140.A O no hydrogen 2.869 N/A SER 145.A OG GLU 117.A OE2 no hydrogen 3.115 N/A VAL 146.A N PRO 141.A O no hydrogen 2.831 N/A ALA 147.A N LEU 142.A O no hydrogen 2.901 N/A GLU 148.A N SER 145.A O no hydrogen 3.223 N/A ILE 149.A N SER 145.A O no hydrogen 2.929 N/A PHE 150.A N VAL 146.A O no hydrogen 2.889 N/A ASP 151.A N ALA 147.A O no hydrogen 2.995 N/A SER 152.A N GLU 148.A O no hydrogen 2.937 N/A ILE 153.A N ILE 149.A O no hydrogen 2.939 N/A ASP 154.A N PHE 150.A O no hydrogen 2.852 N/A LEU 155.A N ASP 151.A O no hydrogen 2.902 N/A THR 156.A N SER 152.A O no hydrogen 2.973 N/A THR 156.A OG1 GLU 101.A OE2 no hydrogen 3.515 N/A THR 156.A OG1 SER 152.A O no hydrogen 3.337 N/A GLN 157.A N ILE 153.A O no hydrogen 2.991 N/A GLN 157.A NE2 ILE 245.A O no hydrogen 2.852 N/A ARG 158.A N ASP 154.A O no hydrogen 2.984 N/A ARG 158.A NH1 ASP 154.A OD2 no hydrogen 2.765 N/A LEU 159.A N LEU 155.A O no hydrogen 2.849 N/A MET 160.A N THR 156.A O no hydrogen 2.976 N/A ASP 161.A N GLN 157.A O no hydrogen 2.900 N/A GLN 163.A N LEU 159.A O no hydrogen 2.915 N/A GLN 164.A N MET 160.A O no hydrogen 2.965 N/A GLN 165.A N ASP 161.A O no hydrogen 3.039 N/A GLN 166.A N GLU 162.A O no hydrogen 2.937 N/A VAL 167.A N GLN 163.A O no hydrogen 2.894 N/A LYS 168.A N GLN 164.A O no hydrogen 2.941 N/A ASP 169.A N GLN 165.A O no hydrogen 2.969 N/A ASP 170.A N GLN 166.A O no hydrogen 2.810 N/A ILE 171.A N VAL 167.A O no hydrogen 2.874 N/A ALA 172.A N LYS 168.A O no hydrogen 2.935 N/A GLN 173.A N ASP 169.A O no hydrogen 3.016 N/A LEU 174.A N ASP 170.A O no hydrogen 2.854 N/A LEU 175.A N ILE 171.A O no hydrogen 2.999 N/A ASN 176.A N ALA 172.A O no hydrogen 2.954 N/A LYS 177.A N LEU 174.A O no hydrogen 3.404 N/A ASP 178.A N LEU 174.A O no hydrogen 3.170 N/A TRP 179.A N LEU 175.A O no hydrogen 3.008 N/A ALA 181.A N ASP 178.A O no hydrogen 2.595 N/A ALA 182.A N TRP 179.A O no hydrogen 2.884 N/A CYS 186.A N ALA 182.A O no hydrogen 2.931 N/A CYS 186.A SG ILE 171.A O no hydrogen 3.654 N/A CYS 186.A SG ALA 182.A O no hydrogen 3.758 N/A GLU 187.A N ILE 183.A O no hydrogen 2.803 N/A GLU 187.A N SER 184.A O no hydrogen 2.930 N/A LEU 188.A N SER 184.A O no hydrogen 2.901 N/A LEU 188.A N SER 185.A O no hydrogen 2.877 N/A LEU 189.A N SER 185.A O no hydrogen 2.953 N/A SER 191.A N GLU 187.A O no hydrogen 3.391 N/A GLU 192.A N LEU 188.A O no hydrogen 2.710 N/A THR 193.A OG1 LEU 189.A O no hydrogen 3.243 N/A SER 194.A N LEU 190.A O no hydrogen 3.314 N/A SER 194.A OG LEU 190.A O no hydrogen 3.101 N/A THR 196.A N GLU 192.A O no hydrogen 3.000 N/A LEU 197.A N THR 193.A O no hydrogen 3.310 N/A ARG 198.A NH2 ASP 202.A OD2 no hydrogen 3.302 N/A GLU 199.A N GLY 195.A O no hydrogen 3.030 N/A LEU 200.A N THR 196.A O no hydrogen 3.126 N/A GLN 201.A NE2 GLU 205.A OE2 no hydrogen 2.581 N/A ASP 202.A N ARG 198.A O no hydrogen 2.883 N/A ASP 202.A N GLU 199.A O no hydrogen 2.941 N/A THR 203.A N GLU 199.A O no hydrogen 3.035 N/A THR 203.A OG1 GLU 199.A O no hydrogen 2.736 N/A LEU 204.A N LEU 200.A O no hydrogen 3.452 N/A GLU 205.A N GLN 201.A O no hydrogen 3.413 N/A ALA 206.A N ASP 202.A O no hydrogen 2.942 N/A ALA 207.A N THR 203.A O no hydrogen 3.005 N/A GLY 208.A N GLU 205.A O no hydrogen 2.971 N/A LEU 211.A N ALA 207.A O no hydrogen 3.471 N/A GLN 212.A N GLY 208.A O no hydrogen 3.330 N/A GLN 212.A NE2 GLN 239.A O no hydrogen 3.374 N/A GLN 212.A NE2 ASP 243.A OD1 no hydrogen 3.379 N/A ALA 213.A N ASP 209.A O no hydrogen 2.748 N/A ASN 214.A N LYS 210.A O no hydrogen 3.019 N/A LEU 215.A N LEU 211.A O no hydrogen 2.839 N/A LEU 216.A N ALA 213.A O no hydrogen 2.922 N/A ARG 217.A N ALA 213.A O no hydrogen 3.135 N/A ARG 217.A NH2 ASP 123.A OD1 no hydrogen 3.024 N/A ARG 217.A NH2 GLU 126.A OE2 no hydrogen 2.619 N/A ILE 218.A N ASN 214.A O no hydrogen 3.420 N/A GLN 219.A N LEU 215.A O no hydrogen 3.260 N/A ASP 220.A N LEU 216.A O no hydrogen 2.617 N/A ALA 221.A N ARG 217.A O no hydrogen 2.712 N/A THR 222.A N ILE 218.A O no hydrogen 2.886 N/A THR 222.A N GLN 219.A O no hydrogen 3.065 N/A THR 222.A OG1 ILE 218.A O no hydrogen 3.387 N/A MET 223.A N ASP 220.A O no hydrogen 2.963 N/A ASP 232.A N LEU 228.A O no hydrogen 3.068 N/A ARG 233.A N HIS 229.A O no hydrogen 2.877 N/A LEU 234.A N PHE 230.A O no hydrogen 2.996 N/A VAL 235.A N VAL 231.A O no hydrogen 3.033 N/A PHE 236.A N ASP 232.A O no hydrogen 3.008 N/A ASP 237.A N ARG 233.A O no hydrogen 2.939 N/A LEU 238.A N LEU 234.A O no hydrogen 2.833 N/A GLN 239.A N VAL 235.A O no hydrogen 2.983 N/A GLN 239.A NE2 GLN 219.A OE1 no hydrogen 3.010 N/A SER 240.A N PHE 236.A O no hydrogen 2.930 N/A LYS 241.A N ASP 237.A O no hydrogen 2.855 N/A LYS 241.A NZ ASP 151.A OD2 no hydrogen 2.806 N/A LEU 242.A N LEU 238.A O no hydrogen 3.053 N/A ASP 243.A N GLN 239.A O no hydrogen 2.979 N/A ARG 244.A N SER 240.A O no hydrogen 2.881 N/A ILE 245.A N LYS 241.A O no hydrogen 2.995 N/A ILE 246.A N LEU 242.A O no hydrogen 3.020 N/A SER 247.A N ASP 243.A O no hydrogen 2.824 N/A TRP 248.A N ARG 244.A O no hydrogen 3.012 N/A GLY 249.A N ILE 245.A O no hydrogen 2.890 N/A GLN 250.A N ILE 246.A O no hydrogen 2.902 N/A GLN 250.A N SER 247.A O no hydrogen 2.747 N/A GLN 251.A N SER 247.A O no hydrogen 2.901 N/A SER 252.A N TRP 248.A O no hydrogen 2.850 N/A LEU 255.A N GLN 251.A O no hydrogen 3.034 N/A TRP 256.A N SER 252.A O no hydrogen 2.935 N/A ILE 257.A N ILE 253.A O no hydrogen 2.876 N/A GLY 258.A N ASP 254.A O no hydrogen 2.990 N/A TYR 259.A N LEU 255.A O no hydrogen 2.978 N/A ASP 260.A N TRP 256.A O no hydrogen 2.953 N/A ARG 261.A N ILE 257.A O no hydrogen 2.930 N/A HIS 262.A N GLY 258.A O no hydrogen 3.004 N/A VAL 263.A N TYR 259.A O no hydrogen 2.940 N/A VAL 263.A N ASP 260.A O no hydrogen 3.090 N/A HIS 264.A N ASP 260.A O no hydrogen 2.996 N/A LYS 265.A N ARG 261.A O no hydrogen 2.986 N/A PHE 266.A N HIS 262.A O no hydrogen 3.021 N/A ILE 267.A N VAL 263.A O no hydrogen 2.991 N/A ARG 268.A N HIS 264.A O no hydrogen 2.887 N/A THR 269.A N LYS 265.A O no hydrogen 2.821 N/A THR 269.A OG1 LYS 265.A O no hydrogen 3.555 N/A ASP 272.A N ILE 267.A O no hydrogen 2.838 N/A ARG 277.A N ASP 274.A O no hydrogen 3.272 N/A ARG 277.A NH2 ASN 176.A OD1 no hydrogen 2.943 N/A PHE 279.A N ASP 274.A OD1 no hydrogen 3.063 N/A ALA 280.A N ASP 274.A OD2 no hydrogen 3.310 N/A ALA 280.A N ARG 277.A O no hydrogen 3.189 N/A ARG 282.A N VAL 278.A O no hydrogen 3.010 N/A LEU 283.A N PHE 279.A O no hydrogen 2.835 N/A ARG 284.A N ALA 280.A O no hydrogen 2.921 N/A GLN 285.A N GLN 281.A O no hydrogen 2.924 N/A SER 286.A N ARG 282.A O no hydrogen 2.954 N/A SER 286.A OG LEU 283.A O no hydrogen 2.531 N/A VAL 287.A N ARG 284.A O no hydrogen 2.529 N/A GLN 288.A N ARG 284.A O no hydrogen 3.068 N/A THR 289.A N GLN 285.A O no hydrogen 3.015 N/A TYR 290.A OH TRP 295.A O no hydrogen 3.217 N/A ASP 292.A N THR 289.A O no hydrogen 2.991 N/A MET 308.A N ASP 307.A OD2 no hydrogen 2.611 N/A