Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 29.A OE1 no hydrogen 3.433 N/A ILE 4.A N ILE 59.A O no hydrogen 3.006 N/A LEU 5.A N GLU 29.A O no hydrogen 2.997 N/A GLY 6.A N TYR 57.A O no hydrogen 2.777 N/A TYR 7.A N HIS 31.A O no hydrogen 2.979 N/A LYS 9.A N TYR 33.A O no hydrogen 2.937 N/A ILE 10.A N TRP 8.A O no hydrogen 2.771 N/A LYS 11.A N PRO 202.A O no hydrogen 3.034 N/A LYS 11.A NZ ASP 160.A OD2 no hydrogen 2.838 N/A LYS 11.A NZ TYR 198.A OH no hydrogen 2.892 N/A LYS 11.A NZ ALA 200.A O no hydrogen 3.100 N/A GLY 12.A N LEU 203.A O no hydrogen 2.888 N/A LEU 13.A N TYR 7.A OH no hydrogen 3.211 N/A VAL 14.A N LYS 11.A O no hydrogen 3.261 N/A GLN 15.A N LYS 11.A O no hydrogen 3.042 N/A ARG 18.A N VAL 14.A O no hydrogen 3.181 N/A ARG 18.A NE GLU 30.A OE2 no hydrogen 2.900 N/A ARG 18.A NH1 ILE 10.A O no hydrogen 2.762 N/A ARG 18.A NH2 TRP 8.A O no hydrogen 3.491 N/A ARG 18.A NH2 ILE 10.A O no hydrogen 3.338 N/A LEU 19.A N GLN 15.A O no hydrogen 3.090 N/A LEU 20.A N PRO 16.A O no hydrogen 3.000 N/A LEU 21.A N THR 17.A O no hydrogen 2.924 N/A GLU 22.A N ARG 18.A O no hydrogen 3.061 N/A TYR 23.A N LEU 19.A O no hydrogen 3.060 N/A LEU 24.A N LEU 20.A O no hydrogen 2.997 N/A GLU 25.A N GLU 22.A O no hydrogen 2.869 N/A GLU 26.A N LEU 21.A O no hydrogen 3.042 N/A TYR 28.A OH GLU 22.A OE2 no hydrogen 2.586 N/A GLU 29.A N PRO 3.A O no hydrogen 2.844 N/A HIS 31.A N LEU 5.A O no hydrogen 3.015 N/A HIS 31.A ND1 TYR 57.A OH no hydrogen 2.530 N/A TYR 33.A N TYR 7.A O no hydrogen 3.025 N/A TYR 33.A OH TYR 57.A OH no hydrogen 2.674 N/A GLU 34.A N GLU 37.A OE1 no hydrogen 2.998 N/A GLU 37.A N GLU 34.A O no hydrogen 3.044 N/A LYS 40.A NZ GLU 37.A OE2 no hydrogen 2.801 N/A TRP 41.A N GLU 37.A O no hydrogen 3.176 N/A ARG 42.A N GLY 38.A O no hydrogen 2.774 N/A LYS 44.A N TRP 41.A O no hydrogen 2.801 N/A LYS 45.A N TRP 41.A O no hydrogen 2.615 N/A LYS 45.A NZ PRO 53.A O no hydrogen 3.417 N/A GLU 47.A N LYS 44.A O no hydrogen 2.828 N/A LEU 48.A N LYS 44.A O no hydrogen 3.361 N/A TYR 57.A N GLY 6.A O no hydrogen 3.041 N/A TYR 57.A OH HIS 31.A ND1 no hydrogen 2.530 N/A TYR 57.A OH TYR 33.A OH no hydrogen 2.674 N/A TYR 58.A N LEU 65.A O no hydrogen 2.924 N/A ILE 59.A N ILE 4.A O no hydrogen 2.924 N/A ASP 60.A N VAL 63.A O no hydrogen 2.866 N/A LEU 65.A N TYR 58.A O no hydrogen 3.076 N/A THR 66.A OG1 PHE 52.A O no hydrogen 2.836 N/A ILE 71.A N GLN 67.A O no hydrogen 2.878 N/A ILE 72.A N SER 68.A O no hydrogen 3.085 N/A ARG 73.A N MET 69.A O no hydrogen 3.110 N/A ARG 73.A NH1 GLU 96.A OE1 no hydrogen 2.663 N/A TYR 74.A N ALA 70.A O no hydrogen 2.991 N/A TYR 74.A OH ASP 60.A OD1 no hydrogen 2.567 N/A ILE 75.A N ILE 71.A O no hydrogen 3.193 N/A ALA 76.A N ILE 72.A O no hydrogen 3.241 N/A ASP 77.A N ARG 73.A O no hydrogen 2.745 N/A LYS 78.A N TYR 74.A O no hydrogen 3.045 N/A LYS 78.A N ILE 75.A O no hydrogen 3.172 N/A LYS 78.A NZ ASP 60.A OD1 no hydrogen 3.534 N/A HIS 79.A N ALA 76.A O no hydrogen 2.826 N/A ASN 80.A N ASP 77.A O no hydrogen 3.157 N/A MET 81.A N ALA 76.A O no hydrogen 2.897 N/A GLU 88.A N CYS 85.A O no hydrogen 3.086 N/A ARG 89.A N CYS 85.A O no hydrogen 3.014 N/A ALA 90.A N PRO 86.A O no hydrogen 2.770 N/A GLU 91.A N LYS 87.A O no hydrogen 3.126 N/A ILE 92.A N GLU 88.A O no hydrogen 3.021 N/A SER 93.A N ARG 89.A O no hydrogen 3.097 N/A SER 93.A OG ARG 89.A O no hydrogen 3.380 N/A MET 94.A N ALA 90.A O no hydrogen 2.863 N/A LEU 95.A N GLU 91.A O no hydrogen 3.119 N/A GLU 96.A N ILE 92.A O no hydrogen 3.143 N/A GLY 97.A N SER 93.A O no hydrogen 3.085 N/A ALA 98.A N MET 94.A O no hydrogen 3.094 N/A VAL 99.A N LEU 95.A O no hydrogen 3.130 N/A VAL 99.A N GLU 96.A O no hydrogen 3.003 N/A LEU 100.A N GLU 96.A O no hydrogen 3.034 N/A ASP 101.A N GLY 97.A O no hydrogen 2.947 N/A ILE 102.A N VAL 99.A O no hydrogen 2.814 N/A ARG 103.A N VAL 99.A O no hydrogen 2.814 N/A ARG 103.A NE ASP 157.A OD2 no hydrogen 3.045 N/A ARG 103.A NH1 ARG 103.A O no hydrogen 3.076 N/A ARG 103.A NH1 GLN 204.A OE1 no hydrogen 3.004 N/A ARG 103.A NH2 GLN 204.A OE1 no hydrogen 3.114 N/A TYR 104.A N LEU 100.A O no hydrogen 2.617 N/A GLY 105.A N ASP 101.A O no hydrogen 3.193 N/A VAL 106.A N ILE 102.A O no hydrogen 3.175 N/A SER 107.A N ARG 103.A O no hydrogen 3.265 N/A SER 107.A OG ARG 103.A O no hydrogen 3.434 N/A ARG 108.A N TYR 104.A O no hydrogen 2.854 N/A ALA 110.A N VAL 106.A O no hydrogen 2.849 N/A SER 112.A N ILE 109.A O no hydrogen 3.053 N/A ASP 114.A N SER 112.A OG no hydrogen 3.183 N/A PHE 115.A N SER 112.A O no hydrogen 3.391 N/A THR 117.A N ASP 114.A O no hydrogen 2.812 N/A THR 117.A OG1 ASP 114.A O no hydrogen 2.699 N/A LEU 118.A N ASP 114.A O no hydrogen 3.070 N/A LYS 119.A N PHE 115.A O no hydrogen 2.719 N/A VAL 120.A N THR 117.A O no hydrogen 3.030 N/A PHE 122.A N LEU 118.A O no hydrogen 3.026 N/A LEU 123.A N LYS 119.A O no hydrogen 2.941 N/A SER 124.A N VAL 120.A O no hydrogen 3.115 N/A SER 124.A N ASP 121.A O no hydrogen 3.177 N/A SER 124.A OG VAL 120.A O no hydrogen 2.617 N/A LYS 125.A N PHE 122.A O no hydrogen 3.224 N/A LEU 126.A N PHE 122.A O no hydrogen 2.991 N/A GLU 128.A N LYS 125.A O no hydrogen 2.999 N/A LEU 130.A N LEU 126.A O no hydrogen 2.853 N/A LYS 131.A N PRO 127.A O no hydrogen 2.838 N/A GLU 134.A N LEU 130.A O no hydrogen 2.886 N/A ASP 135.A N LYS 131.A O no hydrogen 2.944 N/A ARG 136.A N MET 132.A O no hydrogen 3.190 N/A ARG 136.A NE LEU 143.A O no hydrogen 2.962 N/A ARG 136.A NH1 GLU 91.A OE1 no hydrogen 2.808 N/A ARG 136.A NH2 GLU 91.A OE1 no hydrogen 2.868 N/A ARG 136.A NH2 LEU 143.A O no hydrogen 3.328 N/A LEU 137.A N PHE 133.A O no hydrogen 3.016 N/A CYS 138.A N ASP 135.A O no hydrogen 2.861 N/A LYS 140.A N LEU 137.A O no hydrogen 3.442 N/A TYR 142.A N GLY 145.A O no hydrogen 2.623 N/A LEU 143.A N ASP 152.A OD1 no hydrogen 2.967 N/A GLY 145.A N TYR 142.A O no hydrogen 3.236 N/A THR 149.A N ASP 152.A OD2 no hydrogen 2.867 N/A THR 149.A OG1 ASP 152.A OD2 no hydrogen 3.561 N/A HIS 150.A NE2 GLU 96.A OE1 no hydrogen 2.564 N/A ASP 152.A N THR 149.A O no hydrogen 2.911 N/A PHE 153.A N HIS 150.A O no hydrogen 2.981 N/A MET 154.A N HIS 150.A O no hydrogen 3.225 N/A LEU 155.A N PRO 151.A O no hydrogen 2.784 N/A TYR 156.A N ASP 152.A O no hydrogen 3.000 N/A TYR 156.A OH GLU 184.A OE2 no hydrogen 2.806 N/A ASP 157.A N PHE 153.A O no hydrogen 3.009 N/A ALA 158.A N MET 154.A O no hydrogen 3.014 N/A LEU 159.A N LEU 155.A O no hydrogen 2.907 N/A ASP 160.A N TYR 156.A O no hydrogen 2.904 N/A VAL 161.A N ASP 157.A O no hydrogen 3.059 N/A VAL 162.A N ALA 158.A O no hydrogen 3.041 N/A LEU 163.A N LEU 159.A O no hydrogen 3.154 N/A TYR 164.A N VAL 161.A O no hydrogen 3.213 N/A ASP 166.A N VAL 162.A O no hydrogen 2.893 N/A MET 168.A N ASP 166.A OD1 no hydrogen 2.977 N/A CYS 169.A N ASP 166.A O no hydrogen 3.056 N/A CYS 169.A SG ASP 166.A O no hydrogen 3.424 N/A ASP 171.A N MET 168.A O no hydrogen 2.919 N/A PHE 173.A N LEU 170.A O no hydrogen 2.785 N/A LYS 175.A N GLU 134.A OE2 no hydrogen 2.911 N/A LEU 176.A N GLU 134.A OE1 no hydrogen 3.198 N/A VAL 177.A N PHE 173.A O no hydrogen 3.066 N/A CYS 178.A N PRO 174.A O no hydrogen 2.892 N/A CYS 178.A SG PRO 174.A O no hydrogen 3.244 N/A PHE 179.A N LYS 175.A O no hydrogen 2.891 N/A LYS 180.A N LEU 176.A O no hydrogen 2.972 N/A LYS 180.A NZ GLU 184.A OE2 no hydrogen 2.748 N/A LYS 181.A N VAL 177.A O no hydrogen 3.190 N/A ARG 182.A N CYS 178.A O no hydrogen 2.598 N/A ILE 183.A N PHE 179.A O no hydrogen 2.984 N/A GLU 184.A N LYS 180.A O no hydrogen 3.358 N/A ALA 185.A N ARG 182.A O no hydrogen 3.190 N/A ILE 186.A N ILE 183.A O no hydrogen 3.244 N/A ASP 190.A N ILE 186.A O no hydrogen 2.813 N/A LYS 191.A N PRO 187.A O no hydrogen 3.114 N/A TYR 192.A N GLN 188.A O no hydrogen 3.092 N/A LEU 193.A N ILE 189.A O no hydrogen 2.938 N/A LYS 194.A N ASP 190.A O no hydrogen 3.344 N/A SER 195.A N TYR 192.A O no hydrogen 2.916 N/A SER 195.A OG TYR 192.A O no hydrogen 2.672 N/A TYR 198.A N SER 195.A O no hydrogen 3.308 N/A TRP 201.A NE1 GLY 212.A O no hydrogen 2.931 N/A LEU 203.A N GLY 211.A O no hydrogen 2.880 N/A GLN 204.A N GLY 211.A O no hydrogen 3.226 N/A GLN 204.A NE2 SER 107.A OG no hydrogen 3.367 N/A GLY 205.A N TYR 111.A OH no hydrogen 2.854 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.774 N/A ALA 208.A N GLY 205.A O no hydrogen 2.935 N/A THR 209.A OG1 SER 112.A O no hydrogen 2.955 N/A GLY 213.A N TRP 206.A O no hydrogen 3.006 N/A