Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3crq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 115.A O no hydrogen 3.150 N/A ILE 6.A N PRO 95.A O no hydrogen 2.800 N/A PHE 7.A N ALA 117.A O no hydrogen 2.895 N/A LEU 8.A N LEU 97.A O no hydrogen 2.827 N/A MET 9.A N LEU 119.A O no hydrogen 2.906 N/A THR 12.A N GLN 201.A OE1 no hydrogen 2.807 N/A ALA 14.A N PRO 11.A O no hydrogen 3.159 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.090 N/A LYS 16.A NZ PRO 11.A O no hydrogen 2.873 N/A LEU 19.A N GLY 15.A O no hydrogen 3.170 N/A ALA 20.A N LYS 16.A O no hydrogen 2.940 N/A MET 21.A N THR 17.A O no hydrogen 3.076 N/A ALA 22.A N ASP 18.A O no hydrogen 3.186 N/A LEU 23.A N LEU 19.A O no hydrogen 2.847 N/A ALA 24.A N ALA 20.A O no hydrogen 2.806 N/A ASP 25.A N MET 21.A O no hydrogen 3.209 N/A ASP 25.A N ALA 22.A O no hydrogen 3.051 N/A ALA 26.A N LEU 23.A O no hydrogen 3.040 N/A LEU 27.A N LEU 23.A O no hydrogen 3.085 N/A CYS 29.A SG LEU 23.A O no hydrogen 4.029 N/A CYS 29.A SG LEU 27.A O no hydrogen 3.774 N/A GLU 30.A N ILE 94.A O no hydrogen 2.935 N/A ILE 32.A N LEU 96.A O no hydrogen 2.891 N/A SER 33.A N ARG 61.A O no hydrogen 2.862 N/A VAL 34.A N VAL 98.A O no hydrogen 3.089 N/A SER 36.A N THR 101.A OG1 no hydrogen 2.934 N/A ALA 37.A N ASP 35.A OD2 no hydrogen 2.646 N/A LEU 38.A N ASP 35.A OD2 no hydrogen 2.951 N/A TYR 40.A N ALA 37.A O no hydrogen 3.002 N/A TYR 40.A OH GLU 70.A O no hydrogen 3.005 N/A ARG 41.A N ARG 66.A O no hydrogen 2.946 N/A ARG 41.A NH1 ASP 64.A O no hydrogen 2.924 N/A MET 43.A N TYR 40.A O no hydrogen 3.391 N/A ASP 44.A N GLU 148.A OE2 no hydrogen 2.800 N/A ILE 45.A N GLU 148.A OE2 no hydrogen 2.737 N/A GLY 46.A N GLU 148.A OE1 no hydrogen 3.158 N/A THR 47.A OG1 MET 43.A O no hydrogen 2.718 N/A THR 47.A OG1 ASP 44.A O no hydrogen 3.227 N/A ALA 48.A N ILE 45.A O no hydrogen 3.046 N/A LYS 49.A N ASP 44.A O no hydrogen 2.924 N/A LYS 49.A NZ TYR 40.A O no hydrogen 2.892 N/A LYS 49.A NZ MET 43.A O no hydrogen 3.141 N/A LYS 49.A NZ ASP 44.A OD1 no hydrogen 2.650 N/A LYS 49.A NZ ASP 64.A OD1 no hydrogen 2.563 N/A SER 51.A OG GLU 53.A OE2 no hydrogen 3.449 N/A LEU 54.A N SER 51.A OG no hydrogen 3.067 N/A LEU 55.A N SER 51.A O no hydrogen 2.835 N/A ALA 56.A N ARG 52.A O no hydrogen 3.052 N/A ALA 56.A N GLU 53.A O no hydrogen 3.153 N/A ARG 57.A N GLU 53.A O no hydrogen 3.368 N/A TYR 58.A OH ASP 25.A OD2 no hydrogen 2.544 N/A HIS 60.A ND1 TYR 58.A O no hydrogen 2.664 N/A ARG 61.A N LEU 31.A O no hydrogen 2.805 N/A ARG 61.A NE GLU 30.A OE2 no hydrogen 3.092 N/A ARG 61.A NH2 GLU 30.A OE2 no hydrogen 3.188 N/A ASP 64.A N LEU 38.A O no hydrogen 3.111 N/A ARG 66.A N ILE 39.A O no hydrogen 2.950 N/A ARG 66.A NH1 ILE 65.A O no hydrogen 2.715 N/A ARG 66.A NH2 GLU 76.A OE1 no hydrogen 3.519 N/A ASP 67.A N GLU 70.A OE1 no hydrogen 2.917 N/A ALA 69.A N ASP 67.A OD2 no hydrogen 2.850 N/A GLU 70.A N ASP 67.A O no hydrogen 2.787 N/A TYR 72.A OH ASP 80.A OD2 no hydrogen 2.746 N/A SER 73.A N GLU 76.A OE2 no hydrogen 2.916 N/A SER 73.A OG GLU 76.A OE2 no hydrogen 3.375 N/A GLU 76.A N SER 73.A OG no hydrogen 3.033 N/A PHE 77.A N SER 73.A O no hydrogen 2.964 N/A ARG 78.A N ALA 74.A O no hydrogen 2.952 N/A ALA 79.A N ALA 75.A O no hydrogen 3.067 N/A ASP 80.A N GLU 76.A O no hydrogen 2.821 N/A ALA 81.A N PHE 77.A O no hydrogen 2.691 N/A LEU 82.A N ARG 78.A O no hydrogen 3.125 N/A ALA 83.A N ALA 79.A O no hydrogen 3.065 N/A ALA 84.A N ASP 80.A O no hydrogen 2.976 N/A MET 85.A N ALA 81.A O no hydrogen 2.774 N/A ALA 86.A N LEU 82.A O no hydrogen 3.003 N/A LYS 87.A N ALA 83.A O no hydrogen 3.020 N/A ALA 88.A N ALA 84.A O no hydrogen 2.970 N/A THR 89.A N MET 85.A O no hydrogen 2.885 N/A THR 89.A OG1 MET 85.A O no hydrogen 2.778 N/A ALA 90.A N ALA 86.A O no hydrogen 2.892 N/A ARG 91.A N ALA 88.A O no hydrogen 2.999 N/A GLY 92.A N THR 89.A O no hydrogen 2.803 N/A ARG 93.A N ALA 88.A O no hydrogen 2.916 N/A ILE 94.A N PRO 28.A O no hydrogen 2.809 N/A LEU 96.A N GLU 30.A O no hydrogen 2.954 N/A LEU 97.A N ILE 6.A O no hydrogen 2.874 N/A VAL 98.A N ILE 32.A O no hydrogen 2.926 N/A GLY 99.A N LEU 8.A O no hydrogen 3.277 N/A THR 101.A N VAL 34.A O no hydrogen 3.380 N/A TYR 104.A N THR 101.A O no hydrogen 3.080 N/A TYR 105.A OH LEU 8.A O no hydrogen 3.336 N/A TYR 105.A OH LEU 97.A O no hydrogen 2.870 N/A LYS 106.A N MET 102.A O no hydrogen 2.993 N/A LYS 106.A NZ GLU 110.A OE1 no hydrogen 2.759 N/A LYS 106.A NZ GLU 110.A OE2 no hydrogen 2.794 N/A ALA 107.A N LEU 103.A O no hydrogen 2.935 N/A LEU 108.A N TYR 104.A O no hydrogen 3.065 N/A LEU 109.A N TYR 105.A O no hydrogen 2.904 N/A GLU 110.A N LYS 106.A O no hydrogen 2.783 N/A TYR 114.A N LEU 112.A O no hydrogen 2.852 N/A THR 115.A N PRO 3.A O no hydrogen 2.940 N/A THR 115.A OG1 LEU 2.A O no hydrogen 2.976 N/A ALA 117.A N ALA 5.A O no hydrogen 2.962 N/A LEU 119.A N PHE 7.A O no hydrogen 2.649 N/A ALA 120.A N HIS 212.A O no hydrogen 3.342 N/A ILE 121.A N MET 9.A O no hydrogen 3.055 N/A ALA 122.A N MET 214.A O no hydrogen 3.229 N/A VAL 128.A N GLN 125.A O no hydrogen 3.177 N/A HIS 130.A N ARG 126.A O no hydrogen 3.005 N/A ALA 131.A N GLN 127.A O no hydrogen 3.132 N/A ARG 132.A N VAL 128.A O no hydrogen 3.200 N/A ARG 132.A NH1 GLN 135.A OE1 no hydrogen 2.822 N/A ILE 133.A N LEU 129.A O no hydrogen 2.859 N/A ALA 134.A N HIS 130.A O no hydrogen 3.000 N/A GLN 135.A N ALA 131.A O no hydrogen 3.023 N/A ARG 136.A N ARG 132.A O no hydrogen 2.704 N/A ARG 136.A NH2 THR 12.A OG1 no hydrogen 2.705 N/A PHE 137.A N ILE 133.A O no hydrogen 3.031 N/A ARG 138.A N ALA 134.A O no hydrogen 3.188 N/A GLN 139.A N GLN 135.A O no hydrogen 2.966 N/A MET 140.A N ARG 136.A O no hydrogen 2.924 N/A LEU 141.A N PHE 137.A O no hydrogen 3.203 N/A GLU 142.A N ARG 138.A O no hydrogen 3.361 N/A GLN 143.A N GLN 139.A O no hydrogen 2.878 N/A GLY 144.A N LEU 141.A O no hydrogen 3.433 N/A PHE 145.A N MET 140.A O no hydrogen 3.049 N/A GLU 148.A N GLY 144.A O no hydrogen 2.973 N/A VAL 149.A N PHE 145.A O no hydrogen 3.003 N/A GLU 150.A N ILE 146.A O no hydrogen 2.798 N/A ALA 151.A N ALA 147.A O no hydrogen 3.247 N/A HIS 153.A N VAL 149.A O no hydrogen 2.751 N/A ALA 154.A N GLU 150.A O no hydrogen 2.893 N/A ARG 155.A N LEU 152.A O no hydrogen 3.005 N/A ARG 155.A NE ASP 157.A OD1 no hydrogen 3.018 N/A ARG 155.A NH1 ASP 67.A OD1 no hydrogen 3.150 N/A ARG 155.A NH1 ASP 67.A OD2 no hydrogen 3.546 N/A ARG 155.A NH2 ASP 67.A OD2 no hydrogen 2.940 N/A ARG 155.A NH2 ASP 157.A OD2 no hydrogen 2.746 N/A LEU 158.A N ARG 155.A O no hydrogen 3.069 N/A LEU 162.A N HIS 159.A O no hydrogen 3.147 N/A SER 164.A OG PRO 68.A O no hydrogen 2.736 N/A ARG 166.A N PRO 163.A O no hydrogen 3.151 N/A ALA 167.A N SER 164.A O no hydrogen 3.153 N/A TYR 170.A N ALA 167.A O no hydrogen 3.170 N/A TYR 170.A OH GLU 148.A OE1 no hydrogen 2.807 N/A ARG 171.A NE ASP 175.A OD1 no hydrogen 3.114 N/A VAL 173.A N GLY 169.A O no hydrogen 3.196 N/A TRP 174.A N TYR 170.A O no hydrogen 2.881 N/A ASP 175.A N ARG 171.A O no hydrogen 2.921 N/A TYR 176.A N GLN 172.A O no hydrogen 2.954 N/A LEU 177.A N VAL 173.A O no hydrogen 2.897 N/A ASP 178.A N TRP 174.A O no hydrogen 2.990 N/A ASP 178.A N ASP 175.A O no hydrogen 3.064 N/A GLY 179.A N TYR 176.A O no hydrogen 2.623 N/A LYS 180.A N ASP 175.A O no hydrogen 2.875 N/A SER 182.A N GLU 185.A OE1 no hydrogen 2.865 N/A GLU 185.A N SER 182.A OG no hydrogen 2.985 N/A MET 186.A N SER 182.A O no hydrogen 2.976 N/A THR 187.A N TYR 183.A O no hydrogen 3.039 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.782 N/A GLU 188.A N ALA 184.A O no hydrogen 2.915 N/A ARG 189.A N GLU 185.A O no hydrogen 2.907 N/A GLY 190.A N MET 186.A O no hydrogen 2.851 N/A ILE 191.A N THR 187.A O no hydrogen 2.933 N/A ILE 192.A N GLU 188.A O no hydrogen 2.849 N/A ALA 193.A N ARG 189.A O no hydrogen 2.983 N/A THR 194.A N GLY 190.A O no hydrogen 3.248 N/A THR 194.A OG1 GLY 190.A O no hydrogen 2.947 N/A ARG 195.A N ILE 191.A O no hydrogen 2.991 N/A GLN 196.A N ILE 192.A O no hydrogen 2.757 N/A LEU 197.A N ALA 193.A O no hydrogen 2.860 N/A ALA 198.A N THR 194.A O no hydrogen 2.964 N/A LYS 199.A N ARG 195.A O no hydrogen 3.029 N/A ARG 200.A N GLN 196.A O no hydrogen 3.050 N/A GLN 201.A N LEU 197.A O no hydrogen 2.925 N/A GLN 201.A NE2 GLY 100.A O no hydrogen 2.950 N/A PHE 202.A N ALA 198.A O no hydrogen 2.974 N/A THR 203.A N LYS 199.A O no hydrogen 3.142 N/A THR 203.A OG1 LYS 199.A O no hydrogen 3.192 N/A TRP 204.A N ARG 200.A O no hydrogen 3.213 N/A LEU 205.A N GLN 201.A O no hydrogen 2.894 N/A ARG 206.A N PHE 202.A O no hydrogen 2.698 N/A SER 207.A OG THR 203.A O no hydrogen 3.500 N/A SER 207.A OG TRP 204.A O no hydrogen 3.296 N/A TRP 208.A N LEU 205.A O no hydrogen 2.884 N/A TRP 208.A NE1 GLN 118.A OE1 no hydrogen 2.776 N/A HIS 212.A N GLN 118.A O no hydrogen 2.865 N/A SER 216.A N ALA 122.A O no hydrogen 3.203 N/A SER 216.A OG ALA 14.A O no hydrogen 2.847 N/A ALA 218.A N ASP 215.A O no hydrogen 2.986 N/A ASN 221.A ND2 ASP 215.A O no hydrogen 2.993 N/A ARG 224.A N ASP 220.A O no hydrogen 3.165 N/A ARG 224.A NE ASP 220.A OD1 no hydrogen 3.119 N/A ALA 225.A N ASN 221.A O no hydrogen 2.779 N/A LEU 226.A N LEU 222.A O no hydrogen 3.046 N/A ARG 227.A N PRO 223.A O no hydrogen 3.225 N/A TYR 228.A N ALA 225.A O no hydrogen 2.983 N/A THR 231.A N TYR 228.A O no hydrogen 2.686 N/A THR 231.A OG1 TYR 228.A O no hydrogen 3.135 N/A SER 233.A N LYS 230.A O no hydrogen 2.912 N/A