Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jyp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ALA 32.A O no hydrogen 2.877 N/A LEU 5.A N ASN 63.A OD1 no hydrogen 2.873 N/A LEU 6.A N VAL 34.A O no hydrogen 2.850 N/A GLY 7.A N GLY 64.A O no hydrogen 3.310 N/A LEU 8.A N ARG 36.A O no hydrogen 2.953 N/A ILE 9.A N ASN 66.A O no hydrogen 2.941 N/A GLY 10.A N ILE 38.A O no hydrogen 3.241 N/A GLN 11.A N HIS 69.A O no hydrogen 3.093 N/A GLN 11.A NE2 TYR 71.A OH no hydrogen 3.433 N/A GLY 12.A N ASP 39.A OD1 no hydrogen 2.935 N/A LEU 13.A N ASP 39.A OD2 no hydrogen 2.884 N/A SER 16.A N LEU 13.A O no hydrogen 3.063 N/A ARG 17.A NH1 PHE 279.A O no hydrogen 3.065 N/A THR 18.A N SER 16.A OG no hydrogen 3.183 N/A MET 21.A N ARG 17.A O no hydrogen 3.206 N/A HIS 22.A N THR 18.A O no hydrogen 3.172 N/A GLU 23.A N PRO 19.A O no hydrogen 2.919 N/A ALA 24.A N ALA 20.A O no hydrogen 2.985 N/A GLU 25.A N MET 21.A O no hydrogen 3.104 N/A GLY 26.A N HIS 22.A O no hydrogen 2.979 N/A LEU 27.A N GLU 23.A O no hydrogen 3.211 N/A ALA 28.A N ALA 24.A O no hydrogen 2.894 N/A GLN 29.A N GLU 25.A O no hydrogen 3.101 N/A GLN 29.A N GLY 26.A O no hydrogen 3.009 N/A GLN 29.A NE2 GLU 25.A OE2 no hydrogen 2.868 N/A GLN 29.A NE2 GLU 269.A O no hydrogen 2.892 N/A GLY 30.A N LEU 27.A O no hydrogen 2.935 N/A ARG 31.A N.A GLY 26.A O no hydrogen 2.927 N/A ARG 31.A N.B GLY 26.A O no hydrogen 2.895 N/A ARG 31.A NE.A ASP 2.A O no hydrogen 2.540 N/A ARG 31.A NH2.A ASP 2.A O no hydrogen 3.272 N/A THR 33.A OG1 ARG 31.A O.A no hydrogen 2.717 N/A THR 33.A OG1 ARG 31.A O.B no hydrogen 3.077 N/A VAL 34.A N ILE 4.A O no hydrogen 2.962 N/A TYR 35.A N GLU 23.A OE2 no hydrogen 2.878 N/A ARG 36.A N LEU 6.A O no hydrogen 2.933 N/A ARG 37.A NE LEU 13.A O no hydrogen 2.874 N/A ARG 37.A NH2 ASP 14.A O no hydrogen 3.246 N/A ILE 38.A N LEU 8.A O no hydrogen 2.750 N/A THR 40.A N GLY 10.A O no hydrogen 2.964 N/A THR 40.A OG1 GLY 10.A O no hydrogen 3.562 N/A THR 40.A OG1 TYR 71.A OH no hydrogen 2.720 N/A LEU 41.A N ASP 39.A OD1 no hydrogen 2.880 N/A GLY 42.A N ASP 39.A O no hydrogen 2.877 N/A SER 46.A N.A GLY 42.A O no hydrogen 3.171 N/A SER 46.A N.B GLY 42.A O no hydrogen 3.167 N/A SER 46.A OG.A GLY 42.A O no hydrogen 3.120 N/A SER 46.A OG.B THR 40.A O no hydrogen 3.015 N/A SER 46.A OG.B GLY 42.A O no hydrogen 2.536 N/A GLN 48.A N ALA 45.A O no hydrogen 3.276 N/A LYS 51.A NZ.A ASP 55.A OD2 no hydrogen 2.910 N/A LEU 53.A N ASP 49.A O no hydrogen 3.198 N/A LEU 54.A N LEU 50.A O no hydrogen 2.897 N/A ASP 55.A N LYS 51.A O.A no hydrogen 2.821 N/A ASP 55.A N LYS 51.A O.B no hydrogen 3.021 N/A ALA 56.A N THR 52.A O no hydrogen 2.927 N/A ALA 57.A N LEU 53.A O no hydrogen 3.103 N/A LEU 58.A N LEU 54.A O no hydrogen 3.137 N/A TYR 59.A N ASP 55.A O no hydrogen 2.957 N/A LEU 60.A N.A ALA 56.A O no hydrogen 3.029 N/A LEU 60.A N.B ALA 56.A O no hydrogen 2.983 N/A GLY 61.A N LEU 58.A O no hydrogen 3.431 N/A PHE 62.A N ALA 57.A O no hydrogen 3.028 N/A ASN 63.A N LEU 5.A O no hydrogen 2.733 N/A LEU 65.A N VAL 95.A O no hydrogen 2.882 N/A ASN 66.A N GLY 7.A O no hydrogen 2.758 N/A ASN 66.A ND2 TYR 35.A OH no hydrogen 2.675 N/A ILE 67.A N ASN 93.A O no hydrogen 2.884 N/A THR 68.A N ILE 9.A O no hydrogen 2.929 N/A HIS 69.A N THR 68.A OG1 no hydrogen 2.780 N/A TYR 71.A N THR 68.A O no hydrogen 2.860 N/A TYR 71.A OH THR 40.A OG1 no hydrogen 2.720 N/A LYS 72.A NZ ASP 109.A OD2 no hydrogen 2.716 N/A VAL 75.A N TYR 71.A O no hydrogen 3.021 N/A LEU 76.A N GLN 73.A O no hydrogen 3.284 N/A LEU 78.A N VAL 75.A O no hydrogen 2.963 N/A LEU 79.A N LEU 76.A O no hydrogen 3.148 N/A ASP 80.A N THR 103.A OG1 no hydrogen 2.906 N/A GLU 81.A N THR 103.A O no hydrogen 2.992 N/A SER 83.A N GLY 105.A O no hydrogen 2.834 N/A ALA 86.A N SER 83.A OG no hydrogen 3.093 N/A THR 87.A N SER 83.A O no hydrogen 2.856 N/A THR 87.A OG1 VAL 82.A O no hydrogen 3.269 N/A THR 87.A OG1 SER 83.A O no hydrogen 2.787 N/A GLN 88.A N GLU 84.A O no hydrogen 2.941 N/A GLN 88.A NE2 GLU 84.A OE1 no hydrogen 3.400 N/A LEU 89.A N GLN 85.A O no hydrogen 2.911 N/A GLY 90.A N ALA 86.A O no hydrogen 2.830 N/A GLY 90.A N THR 87.A O no hydrogen 3.156 N/A ALA 91.A N ALA 86.A O no hydrogen 3.192 N/A VAL 92.A N LYS 72.A O no hydrogen 2.880 N/A ASN 93.A N HIS 106.A O no hydrogen 3.102 N/A ASN 93.A ND2 THR 108.A OG1 no hydrogen 3.023 N/A THR 94.A N HIS 106.A O no hydrogen 3.245 N/A THR 94.A OG1 ASN 66.A OD1 no hydrogen 3.009 N/A THR 94.A OG1 ASN 93.A OD1 no hydrogen 2.885 N/A THR 94.A OG1 THR 108.A OG1 no hydrogen 3.358 N/A VAL 95.A N LEU 65.A O no hydrogen 2.724 N/A VAL 96.A N THR 104.A O no hydrogen 2.863 N/A ILE 97.A N ASN 63.A O no hydrogen 3.075 N/A ASP 98.A N.A HIS 102.A O no hydrogen 2.845 N/A ASP 98.A N.B HIS 102.A O no hydrogen 2.903 N/A ALA 99.A N ASP 98.A OD1.A no hydrogen 2.725 N/A THR 100.A OG1 ASP 98.A OD1.B no hydrogen 3.530 N/A GLY 101.A N ASP 98.A O.A no hydrogen 2.928 N/A GLY 101.A N ASP 98.A O.B no hydrogen 2.951 N/A HIS 102.A N ASP 98.A OD1.B no hydrogen 2.754 N/A THR 103.A N ASP 80.A OD2 no hydrogen 2.900 N/A THR 103.A OG1 ASP 80.A OD2 no hydrogen 3.250 N/A THR 104.A N VAL 96.A O no hydrogen 2.948 N/A GLY 105.A N GLU 81.A O no hydrogen 2.800 N/A HIS 106.A N THR 94.A O no hydrogen 2.775 N/A ASN 107.A ND2 ALA 91.A O no hydrogen 2.938 N/A THR 108.A N ASN 93.A OD1 no hydrogen 2.761 N/A THR 108.A OG1 ASN 93.A OD1 no hydrogen 3.316 N/A THR 108.A OG1 THR 94.A OG1 no hydrogen 3.358 N/A THR 108.A OG1 GLN 257.A O no hydrogen 2.828 N/A VAL 110.A N ASN 107.A OD1 no hydrogen 2.956 N/A SER 111.A OG THR 108.A O no hydrogen 3.540 N/A SER 111.A OG ASP 260.A OD2 no hydrogen 2.644 N/A GLY 112.A N THR 108.A O no hydrogen 2.780 N/A PHE 113.A N ASP 109.A O no hydrogen 2.953 N/A GLY 114.A N VAL 110.A O no hydrogen 3.062 N/A ARG 115.A N SER 111.A O no hydrogen 2.864 N/A ARG 115.A NH1 GLU 118.A OE1 no hydrogen 2.957 N/A GLY 116.A N GLY 112.A O no hydrogen 2.961 N/A MET 117.A N.A PHE 113.A O no hydrogen 2.998 N/A MET 117.A N.B PHE 113.A O no hydrogen 2.973 N/A GLU 118.A N GLY 114.A O no hydrogen 3.103 N/A GLU 119.A N ARG 115.A O no hydrogen 2.811 N/A GLY 120.A N GLY 116.A O no hydrogen 2.795 N/A LEU 121.A N MET 117.A O.A no hydrogen 2.782 N/A LEU 121.A N MET 117.A O.B no hydrogen 2.937 N/A ALA 124.A N LEU 121.A O no hydrogen 3.163 N/A LYS 125.A NZ ASP 127.A OD2 no hydrogen 2.930 N/A LYS 125.A NZ ASP 195.A OD1 no hydrogen 2.894 N/A LYS 125.A NZ ASP 195.A OD2 no hydrogen 3.082 N/A SER 128.A N ASP 195.A OD2 no hydrogen 2.922 N/A VAL 129.A N LYS 152.A O no hydrogen 2.963 N/A VAL 130.A N GLY 196.A O no hydrogen 2.977 N/A GLN 131.A N GLN 154.A O no hydrogen 2.834 N/A GLN 131.A NE2 GLY 133.A O no hydrogen 2.928 N/A GLN 131.A NE2 GLY 138.A O no hydrogen 2.920 N/A VAL 132.A N VAL 198.A O no hydrogen 2.933 N/A GLY 133.A N ALA 156.A O no hydrogen 2.725 N/A ALA 134.A N ASP 157.A OD1 no hydrogen 2.783 N/A ASN 139.A N GLY 135.A O no hydrogen 2.986 N/A ASN 139.A N GLY 136.A O no hydrogen 3.158 N/A ASN 139.A ND2 GLY 135.A O no hydrogen 2.919 N/A VAL 141.A N VAL 137.A O no hydrogen 3.009 N/A ALA 142.A N GLY 138.A O no hydrogen 2.930 N/A TYR 143.A N ASN 139.A O no hydrogen 3.185 N/A ALA 144.A N ALA 140.A O no hydrogen 2.939 N/A LEU 145.A N VAL 141.A O no hydrogen 2.844 N/A VAL 146.A N ALA 142.A O no hydrogen 3.143 N/A THR 147.A N TYR 143.A O no hydrogen 3.106 N/A THR 147.A N ALA 144.A O no hydrogen 3.268 N/A THR 147.A OG1 TYR 143.A O no hydrogen 2.787 N/A THR 147.A OG1 ALA 144.A O no hydrogen 3.259 N/A THR 147.A OG1 HIS 148.A ND1 no hydrogen 3.227 N/A HIS 148.A N LEU 145.A O no hydrogen 3.243 N/A HIS 148.A ND1 ALA 144.A O no hydrogen 2.782 N/A VAL 150.A N LEU 145.A O no hydrogen 3.030 N/A GLN 151.A N LEU 126.A O no hydrogen 3.189 N/A LYS 152.A N ASP 127.A O no hydrogen 2.996 N/A LEU 153.A N ALA 178.A O no hydrogen 2.856 N/A GLN 154.A N VAL 129.A O no hydrogen 2.894 N/A VAL 155.A N VAL 180.A O no hydrogen 2.903 N/A ALA 156.A N GLN 131.A O no hydrogen 2.920 N/A ASP 159.A N ASP 157.A OD2 no hydrogen 2.794 N/A SER 161.A OG ASP 159.A OD1 no hydrogen 2.679 N/A ARG 162.A N ASP 159.A O no hydrogen 2.977 N/A ARG 162.A N ASP 159.A OD1 no hydrogen 3.372 N/A ALA 163.A N ASP 159.A O no hydrogen 3.420 N/A GLN 164.A N THR 160.A O no hydrogen 2.908 N/A ALA 165.A N SER 161.A O no hydrogen 2.917 N/A LEU 166.A N.A ARG 162.A O no hydrogen 3.020 N/A LEU 166.A N.B ARG 162.A O no hydrogen 3.033 N/A ALA 167.A N ALA 163.A O no hydrogen 2.984 N/A ASP 168.A N GLN 164.A O no hydrogen 3.010 N/A VAL 169.A N ALA 165.A O no hydrogen 3.018 N/A ILE 170.A N LEU 166.A O.A no hydrogen 2.907 N/A ILE 170.A N LEU 166.A O.B no hydrogen 2.892 N/A ASN 171.A N ALA 167.A O no hydrogen 2.896 N/A ASN 171.A ND2 VAL 179.A O no hydrogen 2.946 N/A ASN 172.A N ASP 168.A O no hydrogen 3.035 N/A ALA 173.A N VAL 169.A O no hydrogen 2.978 N/A VAL 174.A N ILE 170.A O no hydrogen 3.000 N/A GLY 175.A N ASN 171.A O no hydrogen 2.846 N/A ARG 176.A NH1 GLN 151.A O no hydrogen 2.843 N/A ARG 176.A NH2 VAL 146.A O no hydrogen 3.193 N/A ARG 176.A NH2 VAL 150.A O no hydrogen 2.864 N/A ALA 178.A N ARG 176.A O no hydrogen 2.951 N/A VAL 179.A N ASN 171.A OD1 no hydrogen 2.796 N/A VAL 180.A N LEU 153.A O no hydrogen 2.916 N/A VAL 182.A N VAL 155.A O no hydrogen 2.983 N/A ILE 187.A N ALA 184.A O no hydrogen 3.107 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.819 N/A ASP 189.A N GLY 186.A O no hydrogen 3.186 N/A ILE 191.A N ILE 187.A O no hydrogen 2.875 N/A ALA 192.A N GLU 188.A O no hydrogen 2.892 N/A ALA 194.A N ILE 191.A O no hydrogen 2.965 N/A ASP 195.A N SER 128.A O no hydrogen 2.752 N/A VAL 197.A N TRP 223.A O no hydrogen 3.117 N/A VAL 198.A N VAL 130.A O no hydrogen 2.865 N/A ASN 199.A N GLY 225.A O no hydrogen 2.891 N/A ASN 199.A ND2 THR 201.A O no hydrogen 2.992 N/A ASN 199.A ND2 MET 203.A O no hydrogen 3.419 N/A ASN 199.A ND2 ASP 226.A OD1 no hydrogen 2.759 N/A ALA 200.A N VAL 132.A O no hydrogen 2.716 N/A THR 201.A N ASN 199.A OD1 no hydrogen 3.280 N/A THR 201.A OG1 ASN 199.A OD1 no hydrogen 2.685 N/A MET 203.A N THR 201.A OG1 no hydrogen 2.993 N/A GLY 204.A N HIS 208.A O no hydrogen 2.842 N/A MET 205.A N PRO 202.A O no hydrogen 3.174 N/A HIS 208.A N MET 205.A O no hydrogen 2.854 N/A THR 211.A OG1 PHE 213.A O no hydrogen 2.711 N/A ASP 214.A N GLU 188.A OE2 no hydrogen 2.845 N/A SER 216.A N.A ASP 214.A OD1 no hydrogen 2.947 N/A SER 216.A N.B ASP 214.A OD1 no hydrogen 2.915 N/A SER 216.A OG.A ASP 214.A OD1 no hydrogen 2.830 N/A SER 216.A OG.B ASP 214.A OD1 no hydrogen 2.690 N/A CYS 217.A N ASP 214.A O no hydrogen 3.274 N/A CYS 217.A SG ASP 214.A O no hydrogen 3.331 N/A LEU 218.A N VAL 215.A O no hydrogen 3.064 N/A THR 219.A N HIS 222.A ND1 no hydrogen 3.001 N/A THR 219.A OG1 HIS 222.A ND1 no hydrogen 2.964 N/A LYS 220.A NZ ASP 221.A OD1 no hydrogen 3.503 N/A LYS 220.A NZ ASP 221.A OD2 no hydrogen 3.457 N/A ASP 221.A N THR 219.A OG1 no hydrogen 3.148 N/A HIS 222.A N THR 219.A O no hydrogen 3.062 N/A HIS 222.A ND1 THR 219.A OG1 no hydrogen 2.964 N/A HIS 222.A NE2 ILE 191.A O no hydrogen 2.767 N/A TRP 223.A N ASP 195.A O no hydrogen 3.194 N/A TRP 223.A NE1 LYS 125.A O no hydrogen 2.868 N/A VAL 224.A N GLU 246.A O no hydrogen 3.045 N/A GLY 225.A N VAL 197.A O no hydrogen 2.850 N/A ASP 226.A N LEU 248.A O no hydrogen 2.934 N/A VAL 227.A N ASN 199.A O no hydrogen 2.954 N/A VAL 228.A N ASP 226.A OD1 no hydrogen 3.038 N/A THR 234.A OG1 ASP 226.A OD2 no hydrogen 2.736 N/A LEU 237.A N THR 234.A OG1 no hydrogen 3.203 N/A LYS 238.A N THR 234.A O no hydrogen 2.855 N/A ALA 239.A N GLU 235.A O no hydrogen 2.956 N/A ALA 240.A N LEU 236.A O no hydrogen 2.992 N/A ARG 241.A N LEU 237.A O no hydrogen 2.856 N/A ARG 241.A NE THR 247.A OG1 no hydrogen 2.816 N/A ARG 241.A NH1 GLU 233.A OE2 no hydrogen 3.032 N/A ARG 241.A NH2 THR 247.A OG1 no hydrogen 3.199 N/A ALA 242.A N LYS 238.A O no hydrogen 2.951 N/A LEU 243.A N ALA 240.A O no hydrogen 3.077 N/A GLY 244.A N ARG 241.A O no hydrogen 2.920 N/A CYS 245.A N ALA 240.A O no hydrogen 3.062 N/A CYS 245.A SG THR 219.A O no hydrogen 3.113 N/A CYS 245.A SG ALA 240.A O no hydrogen 3.280 N/A LEU 248.A N VAL 224.A O no hydrogen 2.881 N/A THR 251.A N ASP 249.A OD1 no hydrogen 2.785 N/A THR 251.A OG1 ASP 249.A OD1 no hydrogen 2.593 N/A ARG 252.A N ASP 249.A O no hydrogen 3.409 N/A ARG 252.A NH1 GLU 119.A OE1 no hydrogen 2.855 N/A ALA 254.A N GLY 250.A O no hydrogen 3.330 N/A ILE 255.A N THR 251.A O no hydrogen 2.859 N/A HIS 256.A N ARG 252.A O no hydrogen 2.879 N/A HIS 256.A NE2 GLU 119.A OE2 no hydrogen 2.954 N/A GLN 257.A N MET 253.A O.A no hydrogen 2.897 N/A GLN 257.A N MET 253.A O.B no hydrogen 2.894 N/A GLN 257.A NE2 THR 18.A OG1 no hydrogen 3.122 N/A GLN 257.A NE2 ALA 254.A O no hydrogen 3.005 N/A VAL 259.A N ILE 255.A O no hydrogen 2.933 N/A ASP 260.A N HIS 256.A O no hydrogen 2.921 N/A ALA 261.A N GLN 257.A O no hydrogen 3.000 N/A PHE 262.A N ALA 258.A O no hydrogen 2.815 N/A ARG 263.A N VAL 259.A O no hydrogen 3.083 N/A ARG 263.A NE GLU 269.A OE1 no hydrogen 2.988 N/A ARG 263.A NH1 ASP 260.A OD1 no hydrogen 2.902 N/A ARG 263.A NH2 GLU 269.A OE2 no hydrogen 2.980 N/A LEU 264.A N ASP 260.A O no hydrogen 3.092 N/A PHE 265.A N ALA 261.A O no hydrogen 2.784 N/A THR 266.A N PHE 262.A O no hydrogen 3.001 N/A THR 266.A OG1 PHE 262.A O no hydrogen 2.770 N/A GLY 267.A N ARG 263.A O no hydrogen 2.843 N/A LEU 268.A N THR 266.A OG1 no hydrogen 2.998 N/A ASP 271.A N GLU 25.A OE2 no hydrogen 2.881 N/A SER 273.A OG ASP 271.A OD1 no hydrogen 2.752 N/A ARG 274.A N ASP 271.A OD1 no hydrogen 2.949 N/A ARG 274.A NE GLU 25.A OE1 no hydrogen 2.867 N/A ARG 274.A NH2 GLU 25.A OE1 no hydrogen 3.496 N/A ARG 274.A NH2 GLU 25.A OE2 no hydrogen 2.898 N/A MET 275.A N ASP 271.A O no hydrogen 3.135 N/A ARG 276.A N VAL 272.A O no hydrogen 2.848 N/A ARG 276.A NH1 GLU 119.A OE1 no hydrogen 2.859 N/A ARG 276.A NH2 GLU 119.A OE2 no hydrogen 3.044 N/A GLU 277.A N SER 273.A O no hydrogen 2.938 N/A THR 278.A N ARG 274.A O no hydrogen 2.944 N/A THR 278.A OG1 ARG 274.A O no hydrogen 3.201 N/A PHE 279.A N MET 275.A O no hydrogen 2.970 N/A LEU 280.A N ARG 276.A O no hydrogen 2.950 N/A SER 281.A N GLU 277.A O no hydrogen 3.041 N/A SER 281.A N THR 278.A O no hydrogen 3.089 N/A SER 281.A OG THR 278.A O no hydrogen 2.673 N/A LEU 282.A N PHE 279.A O no hydrogen 3.390 N/A