Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 64.A OD2 no hydrogen 3.336 N/A ARG 2.A NH1 HIS 61.A O no hydrogen 2.917 N/A VAL 3.A N PRO 26.A O no hydrogen 2.750 N/A LEU 4.A N ILE 65.A O no hydrogen 2.785 N/A ILE 5.A N TYR 28.A O no hydrogen 3.044 N/A ALA 6.A N VAL 67.A O no hydrogen 3.009 N/A GLY 10.A N GLY 7.A O no hydrogen 2.923 N/A GLN 14.A N GLY 10.A O no hydrogen 3.003 N/A VAL 16.A N ILE 12.A O no hydrogen 3.111 N/A ALA 17.A N GLY 13.A O no hydrogen 2.622 N/A THR 18.A N GLN 14.A O no hydrogen 2.929 N/A THR 18.A OG1 GLN 14.A O no hydrogen 2.692 N/A ALA 19.A N PHE 15.A O no hydrogen 2.994 N/A SER 20.A N VAL 16.A O no hydrogen 3.058 N/A SER 20.A OG THR 27.A OG1 no hydrogen 2.749 N/A LEU 21.A N ALA 17.A O no hydrogen 3.313 N/A ASP 22.A N THR 18.A O no hydrogen 2.990 N/A ALA 23.A N ALA 19.A O no hydrogen 2.964 N/A ALA 23.A N SER 20.A O no hydrogen 3.231 N/A HIS 24.A N LEU 21.A O no hydrogen 2.907 N/A ARG 25.A N SER 20.A O no hydrogen 3.201 N/A ARG 25.A NH1 ASP 189.A OD2 no hydrogen 2.809 N/A ARG 25.A NH2 ASP 189.A OD1 no hydrogen 3.000 N/A ARG 25.A NH2 ASP 189.A OD2 no hydrogen 3.386 N/A THR 27.A OG1 SER 20.A OG no hydrogen 2.749 N/A THR 27.A OG1 ARG 25.A O no hydrogen 2.691 N/A TYR 28.A N VAL 3.A O no hydrogen 2.702 N/A ILE 29.A N ILE 42.A O no hydrogen 2.852 N/A LEU 30.A N ILE 5.A O no hydrogen 3.214 N/A ALA 31.A N VAL 44.A O no hydrogen 2.836 N/A GLU 37.A N PHE 33.A O no hydrogen 2.638 N/A ASP 38.A N LYS 34.A O no hydrogen 2.782 N/A LYS 39.A N LEU 36.A O no hydrogen 3.212 N/A LYS 39.A NZ ASP 22.A OD1 no hydrogen 3.422 N/A GLY 40.A N GLU 37.A O no hydrogen 2.975 N/A ALA 41.A N LEU 36.A O no hydrogen 3.062 N/A ILE 42.A N THR 27.A O no hydrogen 2.972 N/A VAL 44.A N ILE 29.A O no hydrogen 3.131 N/A GLY 46.A N ALA 31.A O no hydrogen 3.174 N/A GLU 50.A N LEU 47.A O no hydrogen 3.309 N/A GLN 51.A NE2 GLU 55.A OE2 no hydrogen 2.939 N/A MET 54.A N GLU 50.A O no hydrogen 3.044 N/A GLU 55.A N GLN 51.A O no hydrogen 2.956 N/A LYS 56.A N GLU 52.A O no hydrogen 3.198 N/A ILE 57.A N ALA 53.A O no hydrogen 3.169 N/A LEU 58.A N MET 54.A O no hydrogen 2.905 N/A LYS 59.A N GLU 55.A O no hydrogen 3.033 N/A GLU 60.A N LYS 56.A O no hydrogen 2.843 N/A HIS 61.A N ILE 57.A O no hydrogen 2.988 N/A ILE 63.A N LEU 58.A O no hydrogen 3.214 N/A ASP 64.A N ARG 2.A O no hydrogen 2.998 N/A ILE 65.A N ARG 2.A O no hydrogen 2.945 N/A VAL 66.A N ARG 93.A O no hydrogen 2.927 N/A VAL 67.A N LEU 4.A O no hydrogen 2.917 N/A SER 68.A N LEU 95.A O no hydrogen 2.799 N/A SER 68.A OG GLN 78.A OE1 no hydrogen 2.602 N/A THR 69.A N ALA 6.A O no hydrogen 2.837 N/A THR 69.A OG1 ALA 6.A O no hydrogen 2.876 N/A THR 69.A OG1 GLY 7.A O no hydrogen 3.056 N/A SER 74.A N GLY 71.A O no hydrogen 2.757 N/A ASP 77.A N SER 74.A O no hydrogen 3.142 N/A GLN 78.A N ILE 75.A O no hydrogen 3.038 N/A GLN 78.A NE2 ILE 75.A O no hydrogen 3.229 N/A ILE 79.A N LEU 76.A O no hydrogen 3.172 N/A VAL 82.A N GLN 78.A O no hydrogen 3.130 N/A LYS 83.A N ILE 79.A O no hydrogen 3.183 N/A ALA 84.A N ALA 80.A O no hydrogen 2.957 N/A MET 85.A N LEU 81.A O no hydrogen 2.875 N/A LYS 86.A N VAL 82.A O no hydrogen 2.839 N/A ALA 87.A N LYS 83.A O no hydrogen 3.084 N/A VAL 88.A N ALA 84.A O no hydrogen 3.187 N/A GLY 89.A N MET 85.A O no hydrogen 3.078 N/A LYS 92.A N ASP 64.A O no hydrogen 2.887 N/A LYS 92.A NZ ASP 64.A OD1 no hydrogen 3.449 N/A LYS 92.A NZ THR 90.A O no hydrogen 2.842 N/A ARG 93.A N ASP 64.A O no hydrogen 3.419 N/A ARG 93.A NH1 THR 134.A OG1 no hydrogen 2.669 N/A ARG 93.A NH1 THR 193.A OG1 no hydrogen 2.719 N/A ARG 93.A NH2 ASP 190.A O no hydrogen 2.883 N/A PHE 94.A N PRO 132.A O no hydrogen 2.799 N/A LEU 95.A N VAL 66.A O no hydrogen 2.886 N/A SER 97.A N GLN 78.A OE1 no hydrogen 2.945 N/A SER 97.A OG VAL 70.A O no hydrogen 2.670 N/A PHE 99.A N ILE 136.A O no hydrogen 2.838 N/A ASN 104.A N ASP 102.A OD1 no hydrogen 2.917 N/A ARG 105.A N ASP 102.A O no hydrogen 3.119 N/A ARG 105.A N ASP 102.A OD1 no hydrogen 3.281 N/A ARG 105.A NH1 ASP 102.A OD2 no hydrogen 2.712 N/A ARG 105.A NH1 ASP 271.A OD1 no hydrogen 3.113 N/A ARG 105.A NH1 ASP 271.A OD2 no hydrogen 3.483 N/A ARG 105.A NH2 ASP 271.A OD2 no hydrogen 2.820 N/A ALA 106.A N ASP 102.A O no hydrogen 2.948 N/A LEU 113.A N VAL 109.A O no hydrogen 3.049 N/A ASN 114.A N GLU 110.A OE1 no hydrogen 3.164 N/A ASN 114.A ND2 GLU 118.A OE2 no hydrogen 3.561 N/A TYR 116.A N GLY 112.A O no hydrogen 3.335 N/A TYR 116.A OH HIS 101.A ND1 no hydrogen 2.836 N/A ARG 117.A N LEU 113.A O no hydrogen 2.823 N/A ARG 117.A NE ASN 114.A OD1 no hydrogen 3.367 N/A ARG 117.A NH1 GLU 110.A OE2 no hydrogen 2.965 N/A ARG 117.A NH2 GLU 110.A OE2 no hydrogen 2.849 N/A ARG 117.A NH2 ASN 114.A OD1 no hydrogen 2.852 N/A GLU 118.A N ASN 114.A O no hydrogen 3.087 N/A LYS 119.A N MET 115.A O no hydrogen 2.905 N/A LYS 119.A NZ GLU 98.A O no hydrogen 2.735 N/A ARG 120.A N TYR 116.A O no hydrogen 2.774 N/A ARG 120.A NE VAL 103.A O no hydrogen 2.709 N/A ARG 120.A NH2 VAL 103.A O no hydrogen 3.107 N/A ARG 121.A N ARG 117.A O no hydrogen 2.900 N/A VAL 122.A N GLU 118.A O no hydrogen 3.048 N/A ARG 123.A N LYS 119.A O no hydrogen 3.075 N/A ARG 123.A NE GLU 98.A OE2 no hydrogen 2.766 N/A ARG 123.A NH1 ASN 104.A OD1 no hydrogen 3.439 N/A ARG 123.A NH2 GLU 98.A OE1 no hydrogen 2.830 N/A GLN 124.A N ARG 120.A O no hydrogen 3.070 N/A GLN 124.A NE2 GLU 128.A OE2 no hydrogen 2.839 N/A LEU 125.A N ARG 121.A O no hydrogen 3.134 N/A VAL 126.A N VAL 122.A O no hydrogen 2.805 N/A GLU 127.A N ARG 123.A O no hydrogen 3.119 N/A GLU 128.A N GLN 124.A O no hydrogen 3.085 N/A SER 129.A N LEU 125.A O no hydrogen 2.960 N/A SER 129.A OG LEU 125.A O no hydrogen 2.667 N/A GLY 130.A N GLU 127.A O no hydrogen 3.204 N/A ILE 131.A N VAL 126.A O no hydrogen 3.192 N/A PHE 133.A N ASN 195.A OD1 no hydrogen 3.129 N/A THR 134.A N PHE 94.A O no hydrogen 3.127 N/A THR 134.A OG1 THR 193.A O no hydrogen 2.962 N/A TYR 135.A N LYS 196.A O no hydrogen 2.911 N/A TYR 135.A OH GLU 127.A OE2 no hydrogen 2.659 N/A CYS 137.A N VAL 198.A O no hydrogen 2.829 N/A CYS 137.A SG TYR 135.A O no hydrogen 3.854 N/A ASN 139.A N GLY 100.A O no hydrogen 2.962 N/A ASN 139.A ND2 PHE 200.A O no hydrogen 2.900 N/A SER 140.A N TYR 173.A O no hydrogen 3.021 N/A ALA 142.A N VAL 175.A O no hydrogen 2.905 N/A SER 143.A OG ILE 141.A O no hydrogen 3.469 N/A TYR 146.A N TRP 144.A O no hydrogen 2.853 N/A TYR 146.A OH LEU 156.A O no hydrogen 2.830 N/A HIS 151.A N ASN 149.A OD1 no hydrogen 2.921 N/A GLU 154.A N HIS 151.A O no hydrogen 2.946 N/A VAL 155.A N PRO 152.A O no hydrogen 2.970 N/A PHE 162.A N PRO 225.A O no hydrogen 2.796 N/A ILE 164.A N VAL 227.A O no hydrogen 2.817 N/A TYR 165.A OH PRO 145.A O no hydrogen 2.732 N/A GLY 166.A N VAL 229.A O no hydrogen 2.978 N/A GLY 168.A N TYR 165.A O no hydrogen 3.005 N/A ASN 169.A N ASP 167.A OD1 no hydrogen 2.541 N/A LYS 171.A NZ CYS 206.A O no hydrogen 3.226 N/A LYS 171.A NZ GLU 211.A OE1 no hydrogen 2.825 N/A LYS 171.A NZ GLU 211.A OE2 no hydrogen 3.008 N/A ALA 172.A N LEU 207.A O no hydrogen 3.025 N/A TYR 173.A N GLN 261.A OE1 no hydrogen 2.840 N/A PHE 174.A N ASN 205.A O no hydrogen 3.145 N/A VAL 175.A N SER 140.A O no hydrogen 2.875 N/A ILE 180.A N ALA 176.A O no hydrogen 2.974 N/A GLY 181.A N GLY 177.A O no hydrogen 2.976 N/A LYS 182.A N THR 178.A O no hydrogen 2.908 N/A LYS 182.A NZ ASP 281.A OD1 no hydrogen 3.311 N/A PHE 183.A N ASP 179.A O no hydrogen 2.984 N/A THR 184.A N ILE 180.A O no hydrogen 2.968 N/A THR 184.A OG1 ILE 180.A O no hydrogen 2.755 N/A MET 185.A N GLY 181.A O no hydrogen 3.145 N/A LYS 186.A N LYS 182.A O no hydrogen 3.274 N/A THR 187.A N THR 184.A O no hydrogen 3.152 N/A THR 187.A OG1 THR 184.A O no hydrogen 2.758 N/A ASP 190.A N THR 187.A O no hydrogen 3.268 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.027 N/A ARG 192.A NE ASP 190.A OD1 no hydrogen 2.988 N/A ARG 192.A NH1 LEU 277.A O no hydrogen 2.743 N/A ARG 192.A NH2 ASP 190.A OD2 no hydrogen 2.720 N/A ARG 192.A NH2 LEU 277.A O no hydrogen 3.064 N/A THR 193.A N ASP 190.A O no hydrogen 3.123 N/A THR 193.A OG1 THR 187.A O no hydrogen 2.504 N/A THR 193.A OG1 ASP 190.A O no hydrogen 2.905 N/A ASN 195.A N PHE 133.A O no hydrogen 2.748 N/A LYS 196.A N THR 193.A O no hydrogen 3.105 N/A LYS 196.A NZ PRO 269.A O no hydrogen 2.816 N/A SER 197.A N GLU 270.A O no hydrogen 3.092 N/A VAL 198.A N TYR 135.A O no hydrogen 2.793 N/A HIS 199.A N VAL 272.A O no hydrogen 2.893 N/A HIS 199.A NE2 ASP 271.A OD1 no hydrogen 2.801 N/A PHE 200.A N CYS 137.A O no hydrogen 3.094 N/A ARG 201.A N GLU 273.A OE2 no hydrogen 3.037 N/A ARG 201.A NH1 PHE 264.A O no hydrogen 3.193 N/A ARG 201.A NH2 GLN 261.A O no hydrogen 3.276 N/A ARG 201.A NH2 PHE 264.A O no hydrogen 2.887 N/A ASN 205.A N PRO 202.A O no hydrogen 3.089 N/A ASN 205.A ND2 PHE 174.A O no hydrogen 2.799 N/A ASN 205.A ND2 ARG 284.A O no hydrogen 2.831 N/A LEU 207.A N ALA 172.A O no hydrogen 2.949 N/A ASN 208.A N GLU 211.A OE1 no hydrogen 2.785 N/A ASN 210.A N GLY 168.A O no hydrogen 3.190 N/A ASN 210.A ND2 ASP 167.A O no hydrogen 3.303 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 3.007 N/A LEU 212.A N ASN 208.A O no hydrogen 3.078 N/A ALA 213.A N ILE 209.A O no hydrogen 3.021 N/A SER 214.A N ASN 210.A O no hydrogen 3.001 N/A SER 214.A OG ASN 210.A O no hydrogen 3.145 N/A VAL 215.A N GLU 211.A O no hydrogen 2.928 N/A TRP 216.A N LEU 212.A O no hydrogen 3.031 N/A TRP 216.A NE1 PRO 158.A O no hydrogen 2.845 N/A GLU 217.A N ALA 213.A O no hydrogen 2.893 N/A LYS 218.A N SER 214.A O no hydrogen 3.066 N/A LYS 219.A N VAL 215.A O no hydrogen 3.172 N/A ILE 220.A N TRP 216.A O no hydrogen 2.837 N/A ARG 222.A N GLU 217.A O no hydrogen 3.252 N/A ARG 222.A NH2 THR 159.A O no hydrogen 3.309 N/A LEU 224.A N GLU 217.A OE2 no hydrogen 3.141 N/A ARG 226.A NH1 ASN 210.A O no hydrogen 2.904 N/A ARG 226.A NH1 ASN 210.A OD1 no hydrogen 3.365 N/A ARG 226.A NH2 SER 214.A OG no hydrogen 2.996 N/A ARG 226.A NH2 GLU 217.A OE1 no hydrogen 2.888 N/A VAL 227.A N PHE 162.A O no hydrogen 2.828 N/A VAL 229.A N ILE 164.A O no hydrogen 3.041 N/A THR 230.A N ASP 233.A OD2 no hydrogen 3.101 N/A ASP 233.A N THR 230.A OG1 no hydrogen 3.086 N/A LEU 234.A N THR 230.A O no hydrogen 3.128 N/A LEU 235.A N GLU 231.A O no hydrogen 2.899 N/A ALA 236.A N ASP 232.A O no hydrogen 2.811 N/A ALA 237.A N ASP 233.A O no hydrogen 2.912 N/A ALA 238.A N LEU 234.A O no hydrogen 2.887 N/A GLY 239.A N LEU 235.A O no hydrogen 2.763 N/A GLU 240.A N ALA 237.A O no hydrogen 3.301 N/A ASN 241.A N ALA 238.A O no hydrogen 3.195 N/A ILE 242.A N SER 246.A OG no hydrogen 2.976 N/A GLN 245.A N GLN 245.A OE1 no hydrogen 2.990 N/A SER 246.A N ILE 242.A O no hydrogen 2.784 N/A SER 246.A OG ALA 237.A O no hydrogen 2.734 N/A SER 246.A OG ILE 242.A O no hydrogen 3.535 N/A VAL 248.A N PRO 244.A O no hydrogen 3.145 N/A ALA 249.A N GLN 245.A O no hydrogen 3.021 N/A ALA 250.A N SER 246.A O no hydrogen 2.976 N/A PHE 251.A N VAL 247.A O no hydrogen 3.125 N/A THR 252.A N VAL 248.A O no hydrogen 2.904 N/A THR 252.A OG1 VAL 248.A O no hydrogen 2.848 N/A HIS 253.A N ALA 249.A O no hydrogen 2.964 N/A HIS 253.A NE2 GLU 231.A OE2 no hydrogen 2.831 N/A ASP 254.A N ALA 250.A O no hydrogen 3.014 N/A ILE 255.A N PHE 251.A O no hydrogen 2.811 N/A PHE 256.A N THR 252.A O no hydrogen 2.870 N/A ILE 257.A N HIS 253.A O no hydrogen 2.860 N/A LYS 258.A N HIS 253.A O no hydrogen 3.114 N/A LYS 258.A NZ ASP 107.A O no hydrogen 2.691 N/A CYS 260.A N ASP 254.A O no hydrogen 3.125 N/A GLN 261.A NE2 HIS 101.A NE2 no hydrogen 2.825 N/A GLN 261.A NE2 SER 140.A OG no hydrogen 2.860 N/A VAL 262.A N GLY 259.A O no hydrogen 3.288 N/A ASP 267.A N SER 265.A OG no hydrogen 3.123 N/A ASP 271.A N GLY 268.A O no hydrogen 3.397 N/A VAL 272.A N SER 197.A O no hydrogen 2.987 N/A VAL 274.A N.A HIS 199.A O no hydrogen 2.945 N/A VAL 274.A N.B HIS 199.A O no hydrogen 2.952 N/A THR 275.A N GLU 273.A OE2 no hydrogen 3.076 N/A THR 275.A OG1 GLU 273.A OE1 no hydrogen 2.471 N/A THR 275.A OG1 GLU 273.A OE2 no hydrogen 3.294 N/A THR 276.A N GLU 273.A O no hydrogen 3.223 N/A THR 276.A OG1 GLU 273.A O no hydrogen 3.008 N/A LEU 277.A N GLU 273.A O no hydrogen 3.088 N/A TYR 278.A N VAL 274.A O.A no hydrogen 2.876 N/A TYR 278.A N VAL 274.A O.B no hydrogen 2.878 N/A TYR 278.A OH ASP 190.A OD2 no hydrogen 2.813 N/A ARG 284.A N ASP 179.A OD2 no hydrogen 2.667 N/A ARG 284.A NH1 THR 178.A OG1 no hydrogen 3.302 N/A GLU 288.A N THR 285.A OG1 no hydrogen 3.101 N/A CYS 289.A N THR 285.A O no hydrogen 3.069 N/A CYS 289.A SG THR 285.A O no hydrogen 3.339 N/A PHE 290.A N VAL 286.A O no hydrogen 2.869 N/A GLY 291.A N GLU 287.A O no hydrogen 2.934 N/A GLU 292.A N GLU 288.A O no hydrogen 3.345 N/A TYR 293.A OH SER 153.A O no hydrogen 3.033 N/A ILE 294.A N PHE 290.A O no hydrogen 3.330 N/A VAL 295.A N GLU 292.A O no hydrogen 3.250 N/A