Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kjm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.996 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.118 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.243 N/A LEU 5.A N CYS 101.A O no hydrogen 3.006 N/A ARG 6.A N TYR 27.A O no hydrogen 3.002 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.616 N/A TYR 7.A N TYR 99.A O no hydrogen 2.796 N/A PHE 8.A N VAL 25.A O no hydrogen 2.892 N/A TYR 9.A N GLU 97.A O no hydrogen 3.273 N/A THR 10.A N ILE 23.A O no hydrogen 2.954 N/A ALA 11.A N ILE 95.A O no hydrogen 3.019 N/A VAL 12.A N ARG 21.A O no hydrogen 3.085 N/A SER 13.A N HIS 93.A O no hydrogen 2.970 N/A SER 13.A OG HIS 93.A O no hydrogen 3.553 N/A LEU 17.A N ARG 14.A O no hydrogen 2.749 N/A ARG 21.A N VAL 12.A O no hydrogen 3.066 N/A ARG 21.A NE ASP 37.A OD2 no hydrogen 3.317 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.768 N/A PHE 22.A N SER 38.A OG no hydrogen 2.958 N/A ILE 23.A N THR 10.A O no hydrogen 2.969 N/A ALA 24.A N PHE 36.A O no hydrogen 2.838 N/A VAL 25.A N PHE 8.A O no hydrogen 2.886 N/A GLY 26.A N VAL 34.A O no hydrogen 2.951 N/A TYR 27.A N ARG 6.A O no hydrogen 2.861 N/A VAL 28.A N THR 31.A O no hydrogen 3.071 N/A ASP 29.A N SER 4.A O no hydrogen 2.917 N/A THR 31.A N VAL 28.A O no hydrogen 3.069 N/A PHE 33.A N GLY 26.A O no hydrogen 2.962 N/A ARG 35.A N GLU 46.A O no hydrogen 2.920 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 2.797 N/A PHE 36.A N ALA 24.A O no hydrogen 2.680 N/A SER 38.A N PHE 22.A O no hydrogen 2.901 N/A ASP 39.A N ASP 37.A OD2 no hydrogen 2.827 N/A ALA 40.A N ASP 37.A O no hydrogen 2.855 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.842 N/A GLU 46.A N ARG 35.A O no hydrogen 3.068 N/A ARG 48.A N PHE 33.A O no hydrogen 2.601 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 2.939 N/A MET 52.A N ALA 49.A O no hydrogen 3.061 N/A GLU 53.A N ARG 50.A O no hydrogen 3.208 N/A GLU 55.A N MET 52.A O no hydrogen 3.368 N/A TYR 59.A N GLY 56.A O no hydrogen 2.759 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.489 N/A TRP 60.A N GLY 56.A O no hydrogen 3.345 N/A GLU 61.A N PRO 57.A O no hydrogen 2.835 N/A GLN 62.A N GLU 58.A O no hydrogen 2.981 N/A GLN 63.A N TYR 59.A O no hydrogen 2.734 N/A THR 64.A N TRP 60.A O no hydrogen 2.793 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.738 N/A ARG 65.A N GLU 61.A O no hydrogen 3.271 N/A ARG 65.A N GLN 62.A O no hydrogen 3.019 N/A ILE 66.A N GLN 62.A O no hydrogen 3.163 N/A ALA 67.A N GLN 63.A O no hydrogen 3.116 N/A LYS 68.A N THR 64.A O no hydrogen 2.897 N/A GLU 69.A N ARG 65.A O no hydrogen 2.568 N/A TRP 70.A N ILE 66.A O no hydrogen 2.912 N/A GLU 71.A N ALA 67.A O no hydrogen 2.776 N/A GLN 72.A N LYS 68.A O no hydrogen 3.316 N/A GLN 72.A N GLU 69.A O no hydrogen 3.094 N/A ILE 73.A N GLU 69.A O no hydrogen 3.170 N/A TYR 74.A N TRP 70.A O no hydrogen 2.803 N/A TYR 74.A OH GLU 97.A OE1 no hydrogen 2.493 N/A ARG 75.A N GLU 71.A O no hydrogen 3.081 N/A VAL 76.A N GLN 72.A O no hydrogen 3.175 N/A ASP 77.A N ILE 73.A O no hydrogen 2.945 N/A LEU 78.A N TYR 74.A O no hydrogen 3.006 N/A THR 80.A N VAL 76.A O no hydrogen 2.940 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.167 N/A LEU 81.A N ASP 77.A O no hydrogen 2.837 N/A ARG 82.A N LEU 78.A O no hydrogen 3.215 N/A ARG 82.A NH2 GLU 89.A OE1 no hydrogen 2.841 N/A GLY 83.A N ARG 79.A O no hydrogen 3.044 N/A GLY 83.A N THR 80.A O no hydrogen 2.631 N/A TYR 84.A N THR 80.A O no hydrogen 2.788 N/A TYR 85.A N LEU 81.A O no hydrogen 3.017 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.290 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.838 N/A ASN 86.A N GLY 83.A O no hydrogen 3.138 N/A GLN 87.A N ARG 82.A O no hydrogen 2.927 N/A SER 92.A OG SER 13.A O no hydrogen 2.815 N/A HIS 93.A N SER 13.A OG no hydrogen 2.843 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.604 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.040 N/A ILE 95.A N ALA 11.A O no hydrogen 3.092 N/A GLN 96.A N ALA 117.A O no hydrogen 2.889 N/A GLU 97.A N TYR 9.A O no hydrogen 3.067 N/A MET 98.A N GLN 115.A O no hydrogen 3.064 N/A TYR 99.A N TYR 7.A O no hydrogen 3.122 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.513 N/A GLY 100.A N TYR 113.A O no hydrogen 3.135 N/A CYS 101.A N LEU 5.A O no hydrogen 2.924 N/A ASP 102.A N ARG 111.A O no hydrogen 2.932 N/A VAL 103.A N HIS 3.A O no hydrogen 2.785 N/A GLY 104.A N SER 108.A O no hydrogen 2.754 N/A SER 108.A N ASP 106.A OD1 no hydrogen 3.157 N/A SER 108.A OG ASP 106.A OD1 no hydrogen 2.896 N/A SER 108.A OG ASP 106.A OD2 no hydrogen 2.346 N/A LEU 110.A N ASP 102.A O no hydrogen 2.625 N/A ARG 111.A N ASP 102.A O no hydrogen 3.470 N/A ARG 111.A NE ASP 102.A OD1 no hydrogen 2.288 N/A TYR 113.A N GLY 100.A O no hydrogen 3.301 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.820 N/A ARG 114.A NH1 ARG 114.A O no hydrogen 3.220 N/A ARG 114.A NH1 ILE 124.A O no hydrogen 3.195 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 2.668 N/A GLN 115.A N MET 98.A O no hydrogen 2.903 N/A ASP 116.A N ILE 124.A O no hydrogen 2.947 N/A ALA 117.A N GLN 96.A O no hydrogen 3.187 N/A TYR 118.A N ARG 121.A O no hydrogen 2.764 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.275 N/A ASP 119.A N THR 94.A O no hydrogen 2.728 N/A ARG 121.A N TYR 118.A O no hydrogen 3.196 N/A TYR 123.A N ASP 116.A O no hydrogen 2.991 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 3.111 N/A ALA 125.A N THR 134.A O no hydrogen 2.874 N/A LEU 126.A N ARG 114.A O no hydrogen 2.983 N/A ASN 127.A N THR 132.A O no hydrogen 2.769 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.669 N/A LEU 130.A N ASN 127.A O no hydrogen 2.946 N/A LYS 131.A N ASP 129.A OD2 no hydrogen 3.147 N/A THR 132.A N ASP 129.A OD2 no hydrogen 3.343 N/A THR 132.A OG1 ASN 127.A OD1 no hydrogen 2.440 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.335 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 3.478 N/A THR 134.A N ALA 125.A O no hydrogen 2.723 N/A ALA 136.A N TYR 123.A O no hydrogen 2.815 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.111 N/A GLN 141.A N PHE 138.A O no hydrogen 2.692 N/A ILE 142.A N PHE 138.A O no hydrogen 2.837 N/A THR 143.A N ALA 139.A O no hydrogen 3.172 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 3.111 N/A ARG 144.A N ALA 140.A O no hydrogen 2.968 N/A ASN 145.A N GLN 141.A O no hydrogen 3.046 N/A LYS 146.A N ILE 142.A O no hydrogen 3.256 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.465 N/A TRP 147.A N THR 143.A O no hydrogen 3.130 N/A GLU 148.A N ARG 144.A O no hydrogen 3.055 N/A ARG 149.A N ASN 145.A O no hydrogen 3.312 N/A ALA 150.A N LYS 146.A O no hydrogen 3.065 N/A ARG 151.A N GLU 148.A O no hydrogen 3.089 N/A TYR 152.A N TRP 147.A O no hydrogen 2.870 N/A GLU 154.A N ARG 151.A O no hydrogen 2.987 N/A ARG 155.A N TYR 152.A O no hydrogen 2.826 N/A LEU 156.A N TYR 152.A O no hydrogen 3.375 N/A ARG 157.A N ALA 153.A O no hydrogen 2.991 N/A ARG 157.A NE GLU 161.A OE1 no hydrogen 2.971 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 3.504 N/A ALA 158.A N GLU 154.A O no hydrogen 3.138 N/A TYR 159.A N ARG 155.A O no hydrogen 2.990 N/A LEU 160.A N LEU 156.A O no hydrogen 2.756 N/A GLU 161.A N ARG 157.A O no hydrogen 3.022 N/A GLY 162.A N TYR 159.A O no hydrogen 2.947 N/A CYS 164.A N TYR 159.A O no hydrogen 2.959 N/A GLU 166.A N GLY 162.A O no hydrogen 2.972 N/A TRP 167.A N THR 163.A O no hydrogen 3.057 N/A LEU 168.A N CYS 164.A O no hydrogen 3.054 N/A SER 169.A N VAL 165.A O no hydrogen 3.298 N/A ARG 170.A N GLU 166.A O no hydrogen 3.037 N/A ARG 170.A NH2 GLU 166.A OE2 no hydrogen 3.094 N/A TYR 171.A N TRP 167.A O no hydrogen 2.813 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.489 N/A LEU 172.A N LEU 168.A O no hydrogen 2.991 N/A GLU 173.A N SER 169.A O no hydrogen 3.358 N/A LEU 174.A N ARG 170.A O no hydrogen 3.098 N/A GLY 175.A N TYR 171.A O no hydrogen 3.214 N/A LYS 176.A N GLU 173.A O no hydrogen 3.259 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 3.067 N/A THR 178.A N GLY 175.A O no hydrogen 3.076 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.429 N/A LEU 179.A N GLY 175.A O no hydrogen 2.790 N/A LEU 180.A N LYS 176.A O no hydrogen 3.077 N/A ASP 183.A N TYR 209.A O no hydrogen 3.088 N/A GLU 186.A N LEU 206.A O no hydrogen 2.896 N/A HIS 188.A N TRP 204.A O no hydrogen 3.212 N/A THR 190.A N ARG 202.A O no hydrogen 2.806 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.403 N/A HIS 192.A N THR 200.A O no hydrogen 3.069 N/A ARG 194.A N ASP 198.A O no hydrogen 2.827 N/A ARG 194.A NE ASP 198.A OD1 no hydrogen 2.826 N/A ARG 194.A NE ASP 198.A OD2 no hydrogen 3.304 N/A GLY 197.A N ARG 194.A O no hydrogen 3.331 N/A VAL 199.A N VAL 249.A O no hydrogen 2.838 N/A THR 200.A N HIS 192.A O no hydrogen 3.125 N/A LEU 201.A N VAL 247.A O no hydrogen 2.978 N/A ARG 202.A N THR 190.A O no hydrogen 2.845 N/A CYS 203.A N ALA 245.A O no hydrogen 2.780 N/A TRP 204.A N HIS 188.A O no hydrogen 2.907 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.912 N/A ALA 205.A N LYS 243.A O no hydrogen 2.737 N/A LEU 206.A N GLU 186.A O no hydrogen 2.718 N/A PHE 208.A N PHE 241.A O no hydrogen 3.099 N/A TYR 209.A N ASP 183.A O no hydrogen 2.684 N/A THR 214.A N GLU 262.A O no hydrogen 3.210 N/A THR 216.A N ARG 260.A O no hydrogen 2.873 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.905 N/A GLN 218.A N THR 258.A O no hydrogen 2.880 N/A GLN 218.A NE2 ASP 223.A OD1 no hydrogen 2.959 N/A LEU 219.A N GLU 222.A O no hydrogen 2.883 N/A ASN 220.A N ASN 256.A O no hydrogen 3.460 N/A GLU 222.A N LEU 219.A O no hydrogen 3.089 N/A GLU 229.A N SER 246.A O no hydrogen 2.828 N/A ARG 234.A N GLN 242.A O no hydrogen 2.968 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.161 N/A ALA 236.A N THR 240.A O no hydrogen 3.046 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.805 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.621 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.292 N/A PHE 241.A N PHE 208.A O no hydrogen 2.798 N/A GLN 242.A N ARG 234.A O no hydrogen 3.020 N/A LYS 243.A N ALA 205.A O no hydrogen 3.030 N/A ALA 245.A N CYS 203.A O no hydrogen 2.749 N/A SER 246.A N GLU 229.A O no hydrogen 2.981 N/A VAL 247.A N LEU 201.A O no hydrogen 3.202 N/A VAL 249.A N VAL 199.A O no hydrogen 2.692 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 3.285 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 2.922 N/A LYS 253.A N PRO 250.A O no hydrogen 2.996 N/A GLU 254.A N GLU 254.A OE2 no hydrogen 2.457 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.465 N/A ASN 256.A N LYS 253.A O no hydrogen 2.671 N/A TYR 257.A N GLU 254.A O no hydrogen 3.307 N/A THR 258.A N GLN 218.A O no hydrogen 3.211 N/A CYS 259.A N GLN 272.A O no hydrogen 2.817 N/A ARG 260.A N THR 216.A O no hydrogen 2.847 N/A VAL 261.A N LEU 270.A O no hydrogen 3.046 N/A GLU 262.A N THR 214.A O no hydrogen 3.008 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.982 N/A LEU 266.A N HIS 263.A O no hydrogen 2.855 N/A LEU 270.A N VAL 261.A O no hydrogen 3.025 N/A GLN 272.A N CYS 259.A O no hydrogen 3.003 N/A