Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 4.A OD1 no hydrogen 2.982 N/A PHE 9.A N PHE 6.A O no hydrogen 2.968 N/A GLY 10.A N VAL 25.A O no hydrogen 2.678 N/A GLU 12.A N ALA 23.A O no hydrogen 2.881 N/A TRP 13.A NE1.A TRP 68.A O no hydrogen 3.212 N/A ILE 14.A N ILE 21.A O no hydrogen 2.820 N/A THR 16.A OG1 GLY 19.A O no hydrogen 2.614 N/A SER 17.A N GLU 92.A OE1 no hydrogen 2.808 N/A SER 17.A OG GLU 92.A OE1 no hydrogen 3.291 N/A SER 17.A OG GLU 92.A OE2 no hydrogen 2.708 N/A SER 18.A N THR 16.A OG1 no hydrogen 2.951 N/A GLY 19.A N THR 16.A O no hydrogen 3.042 N/A ARG 20.A N ASP 70.A OD2 no hydrogen 2.822 N/A ARG 20.A NE ASP 70.A OD1 no hydrogen 3.500 N/A ARG 20.A NE ASP 70.A OD2 no hydrogen 3.174 N/A ARG 20.A NH1 ASP 70.A OD1 no hydrogen 3.121 N/A ILE 21.A N ILE 14.A O no hydrogen 2.842 N/A PHE 22.A N SER 69.A OG no hydrogen 3.038 N/A ALA 23.A N GLU 12.A O no hydrogen 3.005 N/A ARG 24.A N VAL 60.A O no hydrogen 2.913 N/A ARG 24.A NE GLY 10.A O no hydrogen 2.987 N/A ARG 24.A NH1 ASP 4.A OD1 no hydrogen 2.922 N/A ARG 24.A NH1 ASP 4.A OD2 no hydrogen 3.378 N/A ARG 24.A NH1 PHE 9.A O no hydrogen 2.973 N/A ARG 24.A NH2 ASP 4.A OD1 no hydrogen 2.891 N/A VAL 25.A N GLY 10.A O no hydrogen 2.961 N/A GLY 26.A N VAL 58.A O no hydrogen 2.973 N/A LEU 32.A N LYS 57.A O no hydrogen 2.719 N/A LEU 33.A N ALA 103.A O no hydrogen 2.919 N/A LEU 34.A N ILE 59.A O no hydrogen 2.836 N/A LEU 35.A N ALA 105.A O no hydrogen 2.936 N/A HIS 36.A ND1 GLY 37.A O no hydrogen 2.900 N/A PHE 38.A N ASN 108.A OD1 no hydrogen 2.813 N/A GLN 40.A N GLY 37.A O no hydrogen 2.909 N/A GLN 40.A NE2 GLU 279.A OE2 no hydrogen 2.857 N/A HIS 42.A N ASP 62.A OD1 no hydrogen 2.856 N/A HIS 42.A ND1 ASP 62.A OD1 no hydrogen 2.747 N/A VAL 43.A N THR 41.A OG1 no hydrogen 3.308 N/A MET 44.A N THR 41.A O no hydrogen 3.056 N/A TRP 45.A N HIS 42.A O no hydrogen 3.267 N/A HIS 46.A N VAL 43.A O no hydrogen 2.922 N/A ARG 47.A NH1 ALA 191.A O no hydrogen 2.585 N/A VAL 48.A N TRP 45.A O no hydrogen 3.068 N/A ALA 49.A N TRP 45.A O no hydrogen 2.810 N/A LYS 51.A NZ ASP 283.A OD1 no hydrogen 3.007 N/A LEU 52.A N VAL 48.A O no hydrogen 3.028 N/A ALA 53.A N ALA 49.A O no hydrogen 2.842 N/A ALA 53.A N PRO 50.A O no hydrogen 3.225 N/A GLU 54.A N LYS 51.A O no hydrogen 3.148 N/A ARG 55.A N LEU 52.A O no hydrogen 2.941 N/A PHE 56.A N LEU 52.A O no hydrogen 2.917 N/A LYS 57.A N PRO 30.A O no hydrogen 2.907 N/A VAL 58.A N GLY 26.A O no hydrogen 2.829 N/A ILE 59.A N LEU 32.A O no hydrogen 2.835 N/A VAL 60.A N ARG 24.A O no hydrogen 2.778 N/A ALA 61.A N LEU 34.A O no hydrogen 3.243 N/A ASP 62.A N PHE 22.A O no hydrogen 2.849 N/A LEU 63.A N HIS 36.A NE2 no hydrogen 2.956 N/A GLY 65.A N ASP 70.A O no hydrogen 2.967 N/A TYR 66.A N LEU 63.A O no hydrogen 2.890 N/A TYR 66.A OH ASP 216.A OD2 no hydrogen 2.651 N/A TRP 68.A N ASP 62.A OD2 no hydrogen 2.822 N/A SER 69.A N TYR 66.A O no hydrogen 2.947 N/A SER 69.A OG ASP 62.A O no hydrogen 2.835 N/A ASP 70.A N ARG 20.A O no hydrogen 2.907 N/A SER 74.A OG GLU 215.A OE1 no hydrogen 2.641 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.710 N/A GLN 77.A N ASP 75.A OD1 no hydrogen 2.845 N/A HIS 78.A N ASP 75.A O no hydrogen 2.930 N/A HIS 78.A ND1 GLU 215.A OE1 no hydrogen 2.754 N/A THR 79.A N ASP 75.A OD1 no hydrogen 2.987 N/A THR 79.A OG1 ASP 75.A OD1 no hydrogen 3.024 N/A THR 79.A OG1 ASP 75.A OD2 no hydrogen 2.904 N/A TYR 81.A N HIS 78.A O no hydrogen 2.968 N/A TYR 81.A OH PRO 72.A O no hydrogen 2.679 N/A THR 82.A N THR 79.A O no hydrogen 3.085 N/A THR 82.A OG1 THR 79.A O no hydrogen 2.754 N/A LYS 83.A N ASP 224.A OD1 no hydrogen 2.872 N/A LYS 83.A NZ TYR 81.A O no hydrogen 2.799 N/A LYS 83.A NZ ASP 216.A O no hydrogen 3.548 N/A LYS 83.A NZ ASP 216.A OD1 no hydrogen 2.794 N/A LYS 83.A NZ ASP 224.A OD2 no hydrogen 2.813 N/A ARG 84.A NE ASP 120.A OD2 no hydrogen 2.858 N/A ARG 84.A NH1 ASP 120.A OD1 no hydrogen 2.976 N/A ALA 85.A N THR 82.A OG1 no hydrogen 3.166 N/A MET 86.A N THR 82.A O no hydrogen 2.913 N/A ALA 87.A N LYS 83.A O no hydrogen 2.875 N/A LYS 88.A N ARG 84.A O no hydrogen 3.111 N/A GLN 89.A N ALA 85.A O no hydrogen 2.908 N/A GLN 89.A NE2 GLY 19.A O no hydrogen 3.183 N/A LEU 90.A N MET 86.A O no hydrogen 2.951 N/A ILE 91.A N ALA 87.A O no hydrogen 2.875 N/A GLU 92.A N LYS 88.A O no hydrogen 3.038 N/A ALA 93.A N GLN 89.A O no hydrogen 2.978 N/A MET 94.A N LEU 90.A O no hydrogen 2.906 N/A GLU 95.A N ILE 91.A O no hydrogen 2.961 N/A GLN 96.A N GLU 92.A O no hydrogen 3.057 N/A LEU 97.A N MET 94.A O no hydrogen 2.998 N/A GLY 98.A N GLU 95.A O no hydrogen 2.925 N/A HIS 99.A N MET 94.A O no hydrogen 2.819 N/A HIS 101.A ND1 GLY 123.A O no hydrogen 2.866 N/A PHE 102.A N ARG 124.A O no hydrogen 2.916 N/A ALA 103.A N PRO 31.A O no hydrogen 3.000 N/A LEU 104.A N LYS 127.A O no hydrogen 3.086 N/A ALA 105.A N LEU 33.A O no hydrogen 2.944 N/A GLY 106.A N ALA 129.A O no hydrogen 3.008 N/A HIS 107.A N LEU 35.A O no hydrogen 2.896 N/A HIS 107.A NE2 HIS 275.A O no hydrogen 2.798 N/A ASN 108.A ND2 HIS 275.A NE2 no hydrogen 2.840 N/A ARG 109.A N ASN 108.A OD1 no hydrogen 2.660 N/A ARG 109.A NE ASP 216.A OD1 no hydrogen 2.804 N/A ARG 109.A NH2 ASP 216.A O no hydrogen 3.240 N/A ARG 109.A NH2 ASP 216.A OD1 no hydrogen 2.953 N/A GLY 110.A N HIS 107.A O no hydrogen 2.981 N/A ALA 111.A N ASN 108.A O no hydrogen 2.895 N/A ARG 112.A N ASN 108.A O no hydrogen 3.224 N/A ARG 112.A NH2 LEU 134.A O no hydrogen 2.754 N/A ARG 112.A NH2 THR 136.A OG1 no hydrogen 3.005 N/A VAL 113.A N ARG 109.A O no hydrogen 2.936 N/A SER 114.A N GLY 110.A O no hydrogen 2.979 N/A SER 114.A OG GLY 110.A O no hydrogen 2.685 N/A TYR 115.A N ALA 111.A O no hydrogen 2.995 N/A TYR 115.A OH ASP 228.A OD1 no hydrogen 3.335 N/A TYR 115.A OH ASP 228.A OD2 no hydrogen 2.379 N/A ARG 116.A N ARG 112.A O no hydrogen 3.051 N/A ARG 116.A NH1 ASP 120.A OD1 no hydrogen 2.968 N/A ARG 116.A NH1 ASP 231.A OD2 no hydrogen 2.751 N/A ARG 116.A NH2 ASP 228.A OD1 no hydrogen 2.851 N/A ARG 116.A NH2 ASP 231.A OD2 no hydrogen 2.847 N/A LEU 117.A N VAL 113.A O no hydrogen 2.809 N/A ALA 118.A N SER 114.A O no hydrogen 3.015 N/A LEU 119.A N TYR 115.A O no hydrogen 2.904 N/A ASP 120.A N ARG 116.A O no hydrogen 2.877 N/A SER 121.A N.A LEU 117.A O no hydrogen 2.765 N/A SER 121.A N.B LEU 117.A O no hydrogen 2.767 N/A SER 121.A OG.B LEU 117.A O no hydrogen 3.095 N/A ARG 124.A N SER 121.A O.A no hydrogen 2.920 N/A ARG 124.A N SER 121.A O.B no hydrogen 3.139 N/A ARG 124.A NH1 GLU 95.A OE2 no hydrogen 2.951 N/A ARG 124.A NH2 GLU 95.A OE2 no hydrogen 2.711 N/A LEU 125.A N PRO 122.A O no hydrogen 3.083 N/A SER 126.A N PHE 102.A O no hydrogen 2.958 N/A LYS 127.A NZ PHE 292.A O no hydrogen 2.747 N/A LEU 128.A N PRO 241.A O no hydrogen 2.994 N/A ALA 129.A N LEU 104.A O no hydrogen 2.784 N/A VAL 130.A N LEU 243.A O no hydrogen 2.899 N/A LEU 131.A N GLY 106.A O no hydrogen 2.860 N/A ASP 132.A N LEU 245.A O no hydrogen 2.721 N/A THR 136.A N TYR 115.A OH no hydrogen 2.799 N/A TYR 137.A N ASP 228.A OD2 no hydrogen 3.112 N/A TYR 139.A N PRO 135.A O no hydrogen 3.168 N/A TYR 139.A OH ILE 151.A O no hydrogen 2.712 N/A TRP 140.A N THR 136.A O no hydrogen 3.132 N/A TRP 140.A NE1 GLY 220.A O no hydrogen 2.920 N/A GLN 141.A N TYR 137.A O no hydrogen 2.874 N/A ARG 142.A N GLU 138.A O no hydrogen 3.227 N/A ARG 142.A NH1 ALA 252.A O no hydrogen 3.340 N/A ARG 142.A NH2 ILE 251.A O no hydrogen 3.336 N/A MET 143.A N TRP 140.A O no hydrogen 2.985 N/A TYR 147.A N ASN 144.A OD1 no hydrogen 2.991 N/A ALA 148.A N ASN 144.A O no hydrogen 2.800 N/A LEU 149.A N ARG 145.A O no hydrogen 3.049 N/A LYS 150.A N ALA 146.A O no hydrogen 2.923 N/A ILE 151.A N TYR 147.A O no hydrogen 2.960 N/A SER 155.A N TYR 152.A O no hydrogen 3.271 N/A PHE 156.A N TYR 152.A O no hydrogen 3.194 N/A LEU 157.A N HIS 153.A O no hydrogen 2.890 N/A GLN 159.A N PHE 156.A O no hydrogen 3.111 N/A GLN 159.A NE2 SER 155.A O no hydrogen 2.940 N/A LEU 163.A N PRO 160.A O no hydrogen 3.143 N/A GLU 165.A N GLU 165.A OE2 no hydrogen 2.735 N/A ASN 166.A N.A PRO 162.A O no hydrogen 2.816 N/A ASN 166.A N.B PRO 162.A O no hydrogen 2.773 N/A LEU 167.A N LEU 163.A O no hydrogen 3.079 N/A LEU 168.A N PRO 164.A O no hydrogen 2.870 N/A GLY 169.A N.A ASN 166.A O.B no hydrogen 3.266 N/A GLY 169.A N.B GLU 165.A O no hydrogen 3.138 N/A GLY 169.A N.B ASN 166.A O.B no hydrogen 3.263 N/A PHE 174.A N ASP 171.A O no hydrogen 3.186 N/A PHE 174.A N ASP 171.A OD1 no hydrogen 3.425 N/A TYR 175.A OH TYR 152.A OH no hydrogen 2.724 N/A VAL 176.A N PRO 172.A O no hydrogen 3.138 N/A LYS 177.A N ASP 173.A O no hydrogen 3.068 N/A ALA 178.A N PHE 174.A O no hydrogen 2.911 N/A LYS 179.A N TYR 175.A O no hydrogen 3.021 N/A LYS 179.A NZ TYR 152.A OH no hydrogen 2.571 N/A LYS 179.A NZ TYR 175.A OH no hydrogen 3.348 N/A LEU 180.A N VAL 176.A O no hydrogen 3.031 N/A ALA 181.A N LYS 177.A O no hydrogen 3.088 N/A SER 182.A N ALA 178.A O no hydrogen 2.891 N/A SER 182.A OG ALA 178.A O no hydrogen 3.310 N/A SER 182.A OG LYS 179.A O no hydrogen 3.144 N/A TRP 183.A N LYS 179.A O no hydrogen 3.307 N/A THR 184.A N ALA 181.A O no hydrogen 3.177 N/A THR 184.A OG1 ALA 181.A O no hydrogen 2.695 N/A THR 184.A OG1 ASP 188.A O no hydrogen 3.152 N/A ARG 185.A N GLU 280.A OE1 no hydrogen 2.783 N/A ARG 185.A NE GLU 272.A OE1 no hydrogen 2.814 N/A ARG 185.A NH1 ARG 185.A O no hydrogen 3.263 N/A GLY 187.A N THR 184.A OG1 no hydrogen 2.947 N/A SER 190.A N ASP 188.A OD1 no hydrogen 2.983 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.502 N/A PHE 192.A N LEU 189.A O no hydrogen 3.116 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 2.766 N/A ARG 195.A NE ASP 193.A OD1 no hydrogen 3.097 N/A ARG 195.A NE ASP 193.A OD2 no hydrogen 3.322 N/A ARG 195.A NH1 ASP 193.A OD2 no hydrogen 2.786 N/A ALA 196.A N ASP 193.A O no hydrogen 2.770 N/A VAL 197.A N ASP 193.A O no hydrogen 3.012 N/A GLU 198.A N PRO 194.A O no hydrogen 3.027 N/A HIS 199.A N ARG 195.A O no hydrogen 3.313 N/A HIS 199.A NE2 ALA 3.A O no hydrogen 2.859 N/A TYR 200.A N ALA 196.A O no hydrogen 3.121 N/A TYR 200.A OH GLU 279.A OE1 no hydrogen 2.614 N/A ARG 201.A N VAL 197.A O no hydrogen 2.781 N/A ARG 201.A NE GLU 198.A OE2 no hydrogen 3.008 N/A ARG 201.A NH1 GLU 198.A OE1 no hydrogen 3.018 N/A ARG 201.A NH2 ASP 173.A OD1 no hydrogen 2.919 N/A ARG 201.A NH2 ASP 173.A OD2 no hydrogen 3.190 N/A ILE 202.A N GLU 198.A O no hydrogen 2.906 N/A ALA 203.A N HIS 199.A O no hydrogen 3.101 N/A PHE 204.A N TYR 200.A O no hydrogen 2.979 N/A ALA 205.A N ILE 202.A O no hydrogen 3.262 N/A ASP 206.A N ALA 203.A O no hydrogen 3.191 N/A MET 208.A N ASP 206.A OD1 no hydrogen 2.799 N/A ARG 209.A NH1 SER 69.A O no hydrogen 3.034 N/A ARG 209.A NH2 GLY 65.A O no hydrogen 2.936 N/A ARG 209.A NH2 SER 69.A O no hydrogen 2.810 N/A ARG 210.A N ASP 206.A O no hydrogen 2.956 N/A ARG 210.A NH2 PHE 204.A O no hydrogen 2.868 N/A HIS 211.A N PRO 207.A O no hydrogen 2.915 N/A HIS 211.A ND1 GLU 165.A OE1 no hydrogen 2.747 N/A VAL 212.A N MET 208.A O no hydrogen 3.178 N/A MET 213.A N ARG 209.A O no hydrogen 3.104 N/A CYS 214.A N ARG 210.A O no hydrogen 3.006 N/A CYS 214.A SG ARG 210.A O no hydrogen 3.513 N/A GLU 215.A N HIS 211.A O no hydrogen 2.859 N/A ASP 216.A N VAL 212.A O no hydrogen 2.842 N/A TYR 217.A N MET 213.A O no hydrogen 3.036 N/A ARG 218.A N CYS 214.A O no hydrogen 2.757 N/A ARG 218.A NE GLN 159.A O no hydrogen 2.907 N/A ARG 218.A NH1 GLN 159.A O no hydrogen 2.852 N/A ARG 218.A NH1 GLU 165.A OE1 no hydrogen 3.275 N/A ARG 218.A NH1 GLU 165.A OE2 no hydrogen 2.909 N/A ARG 218.A NH2 GLU 165.A OE1 no hydrogen 2.804 N/A ARG 218.A NH2 GLU 215.A OE2 no hydrogen 2.814 N/A ALA 219.A N GLU 215.A O no hydrogen 2.813 N/A GLY 220.A N ASP 216.A O no hydrogen 2.859 N/A ALA 221.A N TYR 217.A O no hydrogen 3.032 N/A ALA 221.A N ARG 218.A O no hydrogen 3.039 N/A TYR 222.A N ARG 218.A O no hydrogen 3.091 N/A TYR 222.A N ALA 219.A O no hydrogen 3.144 N/A ASP 224.A N ALA 219.A O no hydrogen 2.818 N/A GLU 226.A N TYR 222.A O no hydrogen 2.968 N/A HIS 227.A N ALA 223.A O no hydrogen 2.830 N/A ASP 228.A N ASP 224.A O no hydrogen 3.027 N/A LYS 229.A N PHE 225.A O no hydrogen 2.856 N/A LYS 229.A NZ GLU 233.A OE1 no hydrogen 3.346 N/A LYS 229.A NZ GLU 233.A OE2 no hydrogen 2.753 N/A ILE 230.A N GLU 226.A O no hydrogen 3.061 N/A ASP 231.A N HIS 227.A O no hydrogen 3.372 N/A VAL 232.A N ASP 228.A O no hydrogen 2.937 N/A GLU 233.A N LYS 229.A O no hydrogen 2.925 N/A ALA 234.A N ILE 230.A O no hydrogen 3.008 N/A GLY 235.A N VAL 232.A O no hydrogen 3.131 N/A ASN 236.A N ASP 231.A O no hydrogen 2.950 N/A ASN 236.A ND2 ASP 231.A OD1 no hydrogen 2.885 N/A LYS 237.A NZ ARG 260.A O no hydrogen 2.713 N/A ILE 238.A N TRP 262.A O no hydrogen 2.771 N/A MET 242.A N ASP 265.A O no hydrogen 2.876 N/A LEU 243.A N LEU 128.A O no hydrogen 2.831 N/A ALA 244.A N GLN 267.A O no hydrogen 2.821 N/A LEU 245.A N VAL 130.A O no hydrogen 3.041 N/A TRP 246.A N ALA 269.A O no hydrogen 3.154 N/A GLY 247.A N ASP 132.A OD1 no hydrogen 2.833 N/A ALA 248.A N ILE 271.A O no hydrogen 2.829 N/A SER 249.A N SER 273.A O no hydrogen 2.838 N/A GLY 250.A N GLY 247.A O no hydrogen 2.998 N/A ILE 251.A N ASP 132.A OD2 no hydrogen 2.947 N/A GLN 253.A NE2 GLY 250.A O no hydrogen 2.794 N/A VAL 258.A N THR 254.A O no hydrogen 3.184 N/A TRP 259.A N PRO 255.A O no hydrogen 2.806 N/A TRP 259.A NE1 ILE 133.A O no hydrogen 2.900 N/A ARG 260.A N LEU 256.A O no hydrogen 2.884 N/A LYS 261.A N VAL 258.A O no hydrogen 3.034 N/A LYS 261.A NZ GLU 138.A OE2 no hydrogen 2.886 N/A TRP 262.A N TRP 259.A O no hydrogen 2.834 N/A TRP 262.A NE1 GLU 138.A OE2 no hydrogen 2.917 N/A SER 264.A N ILE 238.A O no hydrogen 2.950 N/A SER 264.A OG ILE 238.A O no hydrogen 3.480 N/A GLN 267.A N MET 242.A O no hydrogen 2.865 N/A ALA 269.A N ALA 244.A O no hydrogen 3.102 N/A ILE 271.A N TRP 246.A O no hydrogen 2.812 N/A SER 273.A OG GLY 274.A O no hydrogen 2.801 N/A GLY 274.A N GLU 280.A OE1 no hydrogen 2.861 N/A HIS 275.A N TRP 183.A O no hydrogen 2.783 N/A HIS 275.A ND1 ASP 132.A OD2 no hydrogen 2.661 N/A PHE 276.A N GLU 280.A OE2 no hydrogen 2.944 N/A LEU 277.A N HIS 275.A O no hydrogen 2.999 N/A GLU 279.A N PHE 276.A O no hydrogen 3.030 N/A GLU 280.A N PHE 276.A O no hydrogen 2.782 N/A ALA 281.A N LEU 277.A O no hydrogen 2.847 N/A THR 285.A N ALA 281.A O no hydrogen 2.932 N/A THR 285.A OG1 LEU 277.A O no hydrogen 3.121 N/A THR 285.A OG1 ALA 281.A O no hydrogen 2.755 N/A ALA 286.A N PRO 282.A O no hydrogen 2.852 N/A GLU 287.A N ASP 283.A O no hydrogen 2.898 N/A ALA 288.A N GLN 284.A O no hydrogen 2.982 N/A LEU 289.A N THR 285.A O no hydrogen 3.028 N/A VAL 290.A N ALA 286.A O no hydrogen 2.930 N/A ARG 291.A N GLU 287.A O no hydrogen 2.913 N/A ARG 291.A NH2 GLU 287.A OE2 no hydrogen 3.176 N/A PHE 292.A N ALA 288.A O no hydrogen 2.922 N/A PHE 293.A N LEU 289.A O no hydrogen 2.869 N/A SER 294.A N VAL 290.A O no hydrogen 2.971 N/A SER 294.A OG VAL 290.A O no hydrogen 2.793 N/A ALA 295.A N ARG 291.A O no hydrogen 3.198 N/A