Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3crr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 115.A O no hydrogen 3.175 N/A ILE 6.A N PRO 95.A O no hydrogen 2.831 N/A PHE 7.A N ALA 117.A O no hydrogen 2.896 N/A LEU 8.A N LEU 97.A O no hydrogen 2.701 N/A MET 9.A N LEU 119.A O no hydrogen 2.823 N/A THR 12.A N GLN 201.A OE1 no hydrogen 2.854 N/A ALA 14.A N PRO 11.A O no hydrogen 3.232 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.002 N/A LYS 16.A NZ PRO 11.A O no hydrogen 2.833 N/A LEU 19.A N GLY 15.A O no hydrogen 3.266 N/A ALA 20.A N LYS 16.A O no hydrogen 2.947 N/A MET 21.A N THR 17.A O no hydrogen 3.156 N/A ALA 22.A N ASP 18.A O no hydrogen 3.337 N/A LEU 23.A N LEU 19.A O no hydrogen 2.949 N/A ALA 24.A N ALA 20.A O no hydrogen 2.859 N/A ASP 25.A N ALA 22.A O no hydrogen 2.985 N/A ALA 26.A N LEU 23.A O no hydrogen 2.950 N/A LEU 27.A N LEU 23.A O no hydrogen 3.047 N/A CYS 29.A SG LEU 23.A O no hydrogen 4.012 N/A CYS 29.A SG LEU 27.A O no hydrogen 3.715 N/A GLU 30.A N ILE 94.A O no hydrogen 2.865 N/A ILE 32.A N LEU 96.A O no hydrogen 2.885 N/A SER 33.A N ARG 61.A O no hydrogen 2.870 N/A VAL 34.A N VAL 98.A O no hydrogen 2.956 N/A SER 36.A N THR 101.A OG1 no hydrogen 2.942 N/A ALA 37.A N ASP 35.A OD2 no hydrogen 2.759 N/A LEU 38.A N ASP 35.A OD2 no hydrogen 2.938 N/A TYR 40.A N ALA 37.A O no hydrogen 3.148 N/A TYR 40.A OH GLU 70.A O no hydrogen 3.073 N/A ARG 41.A N ARG 66.A O no hydrogen 2.948 N/A ARG 41.A NH1 ASP 64.A O no hydrogen 3.513 N/A ASP 44.A N GLU 148.A OE2 no hydrogen 2.797 N/A ILE 45.A N GLU 148.A OE2 no hydrogen 2.862 N/A GLY 46.A N GLU 148.A OE1 no hydrogen 3.027 N/A THR 47.A OG1 MET 43.A O no hydrogen 2.633 N/A THR 47.A OG1 ASP 44.A O no hydrogen 3.264 N/A ALA 48.A N ILE 45.A O no hydrogen 3.229 N/A LYS 49.A N ASP 44.A O no hydrogen 2.962 N/A LYS 49.A NZ TYR 40.A O no hydrogen 2.823 N/A LYS 49.A NZ MET 43.A O no hydrogen 3.104 N/A LYS 49.A NZ ASP 44.A OD1 no hydrogen 2.692 N/A LYS 49.A NZ ASP 64.A OD1 no hydrogen 2.678 N/A LEU 54.A N SER 51.A OG no hydrogen 3.118 N/A LEU 55.A N SER 51.A O no hydrogen 2.941 N/A ALA 56.A N ARG 52.A O no hydrogen 3.102 N/A ARG 57.A N GLU 53.A O no hydrogen 3.293 N/A TYR 58.A N LEU 54.A O no hydrogen 2.762 N/A TYR 58.A OH ASP 25.A OD1 no hydrogen 3.424 N/A TYR 58.A OH ASP 25.A OD2 no hydrogen 2.568 N/A HIS 60.A ND1 TYR 58.A O no hydrogen 2.801 N/A ARG 61.A N LEU 31.A O no hydrogen 2.827 N/A ARG 61.A NE GLU 30.A OE2 no hydrogen 3.221 N/A ARG 61.A NH2 GLU 30.A OE2 no hydrogen 3.129 N/A ASP 64.A N LEU 38.A O no hydrogen 3.051 N/A ILE 65.A N ILE 39.A O no hydrogen 2.861 N/A ARG 66.A N ILE 39.A O no hydrogen 2.936 N/A ARG 66.A NH1 ILE 65.A O no hydrogen 2.868 N/A ARG 66.A NH2 GLU 76.A OE1 no hydrogen 3.384 N/A ASP 67.A N GLU 70.A OE1 no hydrogen 2.856 N/A ALA 69.A N ASP 67.A OD2 no hydrogen 2.817 N/A GLU 70.A N ASP 67.A O no hydrogen 2.829 N/A TYR 72.A OH ASP 80.A OD2 no hydrogen 2.683 N/A SER 73.A N GLU 76.A OE2 no hydrogen 3.046 N/A SER 73.A OG GLU 76.A OE2 no hydrogen 3.388 N/A GLU 76.A N SER 73.A OG no hydrogen 3.110 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 2.921 N/A ALA 79.A N ALA 75.A O no hydrogen 3.179 N/A ASP 80.A N GLU 76.A O no hydrogen 2.933 N/A ALA 81.A N PHE 77.A O no hydrogen 2.712 N/A LEU 82.A N ARG 78.A O no hydrogen 2.973 N/A ALA 83.A N ALA 79.A O no hydrogen 3.044 N/A ALA 84.A N ASP 80.A O no hydrogen 2.912 N/A MET 85.A N ALA 81.A O no hydrogen 2.889 N/A ALA 86.A N LEU 82.A O no hydrogen 3.054 N/A LYS 87.A N ALA 83.A O no hydrogen 3.019 N/A ALA 88.A N ALA 84.A O no hydrogen 2.966 N/A THR 89.A N MET 85.A O no hydrogen 2.828 N/A THR 89.A OG1 MET 85.A O no hydrogen 2.744 N/A ALA 90.A N ALA 86.A O no hydrogen 2.910 N/A ARG 91.A N ALA 88.A O no hydrogen 2.909 N/A GLY 92.A N THR 89.A O no hydrogen 2.808 N/A ARG 93.A N ALA 88.A O no hydrogen 2.928 N/A ILE 94.A N PRO 28.A O no hydrogen 2.703 N/A LEU 96.A N GLU 30.A O no hydrogen 2.891 N/A LEU 97.A N ILE 6.A O no hydrogen 2.817 N/A VAL 98.A N ILE 32.A O no hydrogen 2.918 N/A GLY 99.A N LEU 8.A O no hydrogen 3.117 N/A THR 101.A N VAL 34.A O no hydrogen 3.373 N/A TYR 104.A N THR 101.A O no hydrogen 2.984 N/A TYR 105.A N THR 101.A O no hydrogen 3.410 N/A TYR 105.A OH LEU 97.A O no hydrogen 3.059 N/A TYR 105.A OH GLY 99.A O no hydrogen 3.251 N/A LYS 106.A N MET 102.A O no hydrogen 2.883 N/A ALA 107.A N LEU 103.A O no hydrogen 3.125 N/A LEU 108.A N TYR 104.A O no hydrogen 3.140 N/A LEU 109.A N TYR 105.A O no hydrogen 2.996 N/A GLU 110.A N LYS 106.A O no hydrogen 2.735 N/A THR 115.A N PRO 3.A O no hydrogen 2.957 N/A THR 115.A OG1 LEU 2.A O no hydrogen 3.174 N/A ALA 117.A N ALA 5.A O no hydrogen 2.921 N/A LEU 119.A N PHE 7.A O no hydrogen 2.639 N/A ALA 120.A N HIS 212.A O no hydrogen 3.233 N/A ILE 121.A N MET 9.A O no hydrogen 2.992 N/A ALA 122.A N MET 214.A O no hydrogen 3.171 N/A VAL 128.A N GLN 125.A O no hydrogen 3.118 N/A HIS 130.A N ARG 126.A O no hydrogen 2.891 N/A ALA 131.A N GLN 127.A O no hydrogen 3.084 N/A ARG 132.A N VAL 128.A O no hydrogen 3.314 N/A ARG 132.A NH1 GLN 135.A OE1 no hydrogen 2.753 N/A ILE 133.A N LEU 129.A O no hydrogen 2.951 N/A ALA 134.A N HIS 130.A O no hydrogen 3.091 N/A GLN 135.A N ALA 131.A O no hydrogen 3.011 N/A ARG 136.A N ARG 132.A O no hydrogen 2.724 N/A ARG 136.A NH2 THR 12.A OG1 no hydrogen 2.714 N/A PHE 137.A N ILE 133.A O no hydrogen 3.011 N/A ARG 138.A N ALA 134.A O no hydrogen 3.088 N/A GLN 139.A N GLN 135.A O no hydrogen 3.033 N/A MET 140.A N ARG 136.A O no hydrogen 3.041 N/A LEU 141.A N PHE 137.A O no hydrogen 3.310 N/A GLU 142.A N ARG 138.A O no hydrogen 3.297 N/A GLN 143.A N GLN 139.A O no hydrogen 2.839 N/A GLN 143.A N MET 140.A O no hydrogen 3.122 N/A GLN 143.A NE2 GLN 139.A OE1 no hydrogen 3.306 N/A GLY 144.A N LEU 141.A O no hydrogen 3.492 N/A PHE 145.A N MET 140.A O no hydrogen 2.986 N/A GLU 148.A N GLY 144.A O no hydrogen 3.005 N/A VAL 149.A N PHE 145.A O no hydrogen 3.035 N/A GLU 150.A N ILE 146.A O no hydrogen 2.847 N/A ALA 151.A N ALA 147.A O no hydrogen 3.302 N/A HIS 153.A N VAL 149.A O no hydrogen 2.732 N/A ALA 154.A N GLU 150.A O no hydrogen 2.998 N/A ARG 155.A N LEU 152.A O no hydrogen 3.074 N/A ARG 155.A NE ASP 157.A OD1 no hydrogen 2.978 N/A ARG 155.A NH1 ASP 67.A OD1 no hydrogen 3.072 N/A ARG 155.A NH1 ASP 67.A OD2 no hydrogen 3.549 N/A ARG 155.A NH2 ASP 67.A OD1 no hydrogen 3.551 N/A ARG 155.A NH2 ASP 67.A OD2 no hydrogen 2.927 N/A ARG 155.A NH2 ASP 157.A OD1 no hydrogen 3.499 N/A ARG 155.A NH2 ASP 157.A OD2 no hydrogen 2.844 N/A LEU 158.A N ARG 155.A O no hydrogen 3.168 N/A LEU 162.A N HIS 159.A O no hydrogen 3.196 N/A SER 164.A OG PRO 68.A O no hydrogen 2.730 N/A ARG 166.A N PRO 163.A O no hydrogen 3.003 N/A ALA 167.A N SER 164.A O no hydrogen 3.107 N/A TYR 170.A N ALA 167.A O no hydrogen 3.109 N/A TYR 170.A OH GLU 148.A OE1 no hydrogen 2.648 N/A ARG 171.A NE ASP 175.A OD1 no hydrogen 3.184 N/A VAL 173.A N GLY 169.A O no hydrogen 3.101 N/A TRP 174.A N TYR 170.A O no hydrogen 2.809 N/A ASP 175.A N ARG 171.A O no hydrogen 2.774 N/A TYR 176.A N GLN 172.A O no hydrogen 3.004 N/A LEU 177.A N VAL 173.A O no hydrogen 2.990 N/A ASP 178.A N TRP 174.A O no hydrogen 3.031 N/A ASP 178.A N ASP 175.A O no hydrogen 2.999 N/A GLY 179.A N TYR 176.A O no hydrogen 2.896 N/A LYS 180.A N ASP 175.A O no hydrogen 3.026 N/A SER 182.A N GLU 185.A OE1 no hydrogen 2.924 N/A GLU 185.A N SER 182.A OG no hydrogen 3.100 N/A MET 186.A N SER 182.A O no hydrogen 2.971 N/A THR 187.A N TYR 183.A O no hydrogen 3.066 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.883 N/A GLU 188.A N ALA 184.A O no hydrogen 2.907 N/A ARG 189.A N GLU 185.A O no hydrogen 2.909 N/A GLY 190.A N MET 186.A O no hydrogen 3.009 N/A ILE 191.A N THR 187.A O no hydrogen 3.144 N/A ILE 192.A N GLU 188.A O no hydrogen 3.016 N/A ALA 193.A N ARG 189.A O no hydrogen 3.012 N/A THR 194.A N GLY 190.A O no hydrogen 3.092 N/A THR 194.A OG1 GLY 190.A O no hydrogen 2.934 N/A ARG 195.A N ILE 191.A O no hydrogen 2.835 N/A GLN 196.A N ILE 192.A O no hydrogen 2.753 N/A LEU 197.A N ALA 193.A O no hydrogen 3.011 N/A ALA 198.A N THR 194.A O no hydrogen 3.156 N/A LYS 199.A N ARG 195.A O no hydrogen 3.059 N/A ARG 200.A N GLN 196.A O no hydrogen 3.032 N/A GLN 201.A N LEU 197.A O no hydrogen 2.867 N/A GLN 201.A NE2 GLY 100.A O no hydrogen 3.008 N/A PHE 202.A N ALA 198.A O no hydrogen 2.835 N/A THR 203.A N LYS 199.A O no hydrogen 3.091 N/A THR 203.A OG1 LYS 199.A O no hydrogen 3.081 N/A TRP 204.A N ARG 200.A O no hydrogen 3.189 N/A LEU 205.A N GLN 201.A O no hydrogen 2.884 N/A ARG 206.A N PHE 202.A O no hydrogen 2.780 N/A SER 207.A N TRP 204.A O no hydrogen 3.191 N/A SER 207.A OG TRP 204.A O no hydrogen 2.978 N/A TRP 208.A N LEU 205.A O no hydrogen 2.996 N/A HIS 212.A N GLN 118.A O no hydrogen 2.934 N/A MET 214.A N ALA 120.A O no hydrogen 2.800 N/A SER 216.A N ALA 122.A O no hydrogen 3.223 N/A SER 216.A OG ALA 14.A O no hydrogen 2.712 N/A ALA 218.A N ASP 215.A O no hydrogen 2.965 N/A ASN 221.A ND2 ASP 215.A O no hydrogen 2.975 N/A ARG 224.A N ASP 220.A O no hydrogen 3.395 N/A ARG 224.A NE ASP 220.A OD1 no hydrogen 3.464 N/A ALA 225.A N ASN 221.A O no hydrogen 2.748 N/A LEU 226.A N LEU 222.A O no hydrogen 2.887 N/A ARG 227.A N PRO 223.A O no hydrogen 3.060 N/A TYR 228.A N ALA 225.A O no hydrogen 2.928 N/A SER 233.A N LYS 230.A O no hydrogen 2.853 N/A ILE 234.A N LEU 229.A O no hydrogen 3.108 N/A