Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rol_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.853 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.453 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.766 N/A LEU 5.A N CYS 101.A O no hydrogen 2.985 N/A ARG 6.A N TYR 27.A O no hydrogen 2.756 N/A ARG 6.A NH2 ASP 29.A O no hydrogen 2.946 N/A TYR 7.A N SER 99.A O no hydrogen 2.675 N/A PHE 8.A N VAL 25.A O no hydrogen 2.726 N/A VAL 9.A N VAL 97.A O no hydrogen 2.704 N/A THR 10.A N MET 23.A O no hydrogen 2.928 N/A ALA 11.A N ILE 95.A O no hydrogen 2.985 N/A VAL 12.A N ARG 21.A O no hydrogen 2.946 N/A SER 13.A N HIS 93.A O no hydrogen 3.097 N/A SER 13.A OG HIS 93.A O no hydrogen 3.417 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.688 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.267 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.664 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.298 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.508 N/A LEU 17.A N ARG 14.A O no hydrogen 3.027 N/A ARG 21.A N VAL 12.A O no hydrogen 2.922 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.075 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.747 N/A TYR 22.A N SER 38.A OG no hydrogen 2.586 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.662 N/A MET 23.A N THR 10.A O no hydrogen 2.878 N/A GLU 24.A N PHE 36.A O no hydrogen 2.964 N/A VAL 25.A N PHE 8.A O no hydrogen 2.870 N/A GLY 26.A N VAL 34.A O no hydrogen 2.918 N/A TYR 27.A N ARG 6.A O no hydrogen 2.710 N/A VAL 28.A N THR 31.A O no hydrogen 2.925 N/A ASP 29.A N SER 4.A O no hydrogen 2.820 N/A THR 31.A N VAL 28.A O no hydrogen 2.893 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.733 N/A PHE 33.A N GLY 26.A O no hydrogen 2.915 N/A VAL 34.A N GLY 26.A O no hydrogen 3.471 N/A ARG 35.A N GLU 46.A O no hydrogen 3.260 N/A PHE 36.A N GLU 24.A O no hydrogen 2.872 N/A SER 38.A N TYR 22.A O no hydrogen 2.785 N/A SER 38.A OG TYR 22.A O no hydrogen 3.237 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.316 N/A ALA 40.A N ASP 37.A O no hydrogen 3.084 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.017 N/A TYR 45.A OH GLU 24.A OE1 no hydrogen 2.651 N/A GLU 46.A N ARG 35.A O no hydrogen 3.020 N/A ARG 48.A N PHE 33.A O no hydrogen 2.814 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 3.018 N/A MET 52.A N ALA 49.A O no hydrogen 2.994 N/A GLU 53.A N ARG 50.A O no hydrogen 2.990 N/A GLN 54.A NE2 ASN 174.A O no hydrogen 3.239 N/A GLU 55.A N MET 52.A O no hydrogen 3.159 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.471 N/A TRP 60.A N GLY 56.A O no hydrogen 3.378 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.205 N/A GLU 61.A N PRO 57.A O no hydrogen 2.988 N/A ARG 62.A N GLU 58.A O no hydrogen 2.865 N/A GLU 63.A N TYR 59.A O no hydrogen 2.893 N/A THR 64.A N TRP 60.A O no hydrogen 3.037 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.491 N/A GLN 65.A N GLU 61.A O no hydrogen 3.039 N/A GLN 65.A NE2 GLU 61.A OE2 no hydrogen 3.450 N/A LYS 66.A N ARG 62.A O no hydrogen 3.137 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 3.503 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.642 N/A ALA 67.A N GLU 63.A O no hydrogen 2.759 N/A LYS 68.A N THR 64.A O no hydrogen 2.818 N/A GLY 69.A N GLN 65.A O no hydrogen 2.905 N/A ASN 70.A N LYS 66.A O no hydrogen 2.993 N/A ASN 70.A ND2 GLU 24.A OE2 no hydrogen 3.201 N/A GLU 71.A N ALA 67.A O no hydrogen 2.870 N/A GLN 72.A N LYS 68.A O no hydrogen 3.365 N/A SER 73.A N GLY 69.A O no hydrogen 2.834 N/A PHE 74.A N ASN 70.A O no hydrogen 2.733 N/A ARG 75.A N GLU 71.A O no hydrogen 2.967 N/A VAL 76.A N GLN 72.A O no hydrogen 3.013 N/A ASP 77.A N SER 73.A O no hydrogen 3.106 N/A LEU 78.A N PHE 74.A O no hydrogen 2.914 N/A ARG 79.A N ARG 75.A O no hydrogen 3.345 N/A THR 80.A N VAL 76.A O no hydrogen 2.670 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.595 N/A LEU 81.A N ASP 77.A O no hydrogen 2.644 N/A LEU 82.A N LEU 78.A O no hydrogen 3.229 N/A GLY 83.A N ARG 79.A O no hydrogen 3.459 N/A TYR 84.A N THR 80.A O no hydrogen 2.972 N/A TYR 85.A N LEU 81.A O no hydrogen 2.806 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.281 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.670 N/A ASN 86.A N GLY 83.A O no hydrogen 3.074 N/A GLN 87.A N LEU 82.A O no hydrogen 2.879 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.621 N/A GLY 90.A N SER 88.A OG no hydrogen 3.001 N/A SER 92.A OG SER 13.A O no hydrogen 2.423 N/A HIS 93.A N SER 13.A OG no hydrogen 2.679 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.466 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.839 N/A ILE 95.A N ALA 11.A O no hydrogen 2.952 N/A GLN 96.A N ALA 117.A O no hydrogen 2.860 N/A VAL 97.A N VAL 9.A O no hydrogen 2.682 N/A ILE 98.A N GLN 115.A O no hydrogen 2.900 N/A SER 99.A N TYR 7.A O no hydrogen 3.089 N/A GLY 100.A N TYR 113.A O no hydrogen 3.114 N/A CYS 101.A N LEU 5.A O no hydrogen 3.144 N/A GLU 102.A N ARG 111.A O no hydrogen 2.860 N/A VAL 103.A N HIS 3.A O no hydrogen 2.802 N/A GLY 104.A N ARG 108.A O no hydrogen 2.885 N/A GLY 107.A N GLY 104.A O no hydrogen 2.881 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.131 N/A LEU 110.A N GLU 102.A O no hydrogen 3.067 N/A TYR 113.A N GLY 100.A O no hydrogen 3.125 N/A TYR 113.A OH LEU 5.A O no hydrogen 3.333 N/A GLN 115.A N ILE 98.A O no hydrogen 2.785 N/A TYR 116.A N ILE 124.A O no hydrogen 2.617 N/A TYR 116.A OH GLN 114.A OE1 no hydrogen 2.592 N/A ALA 117.A N GLN 96.A O no hydrogen 2.975 N/A TYR 118.A N CYS 121.A O no hydrogen 2.853 N/A ASP 119.A N THR 94.A O no hydrogen 2.722 N/A CYS 121.A N TYR 118.A O no hydrogen 3.080 N/A TYR 123.A N TYR 116.A O no hydrogen 2.916 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.451 N/A ILE 124.A N TYR 116.A O no hydrogen 3.435 N/A ALA 125.A N THR 134.A O no hydrogen 3.125 N/A LEU 126.A N GLN 114.A O no hydrogen 2.728 N/A ASN 127.A N THR 132.A O no hydrogen 2.875 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.848 N/A LEU 130.A N ASN 127.A O no hydrogen 3.123 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.725 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.140 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.329 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.388 N/A THR 134.A N ALA 125.A O no hydrogen 3.128 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.686 N/A ALA 136.A N TYR 123.A O no hydrogen 2.702 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.063 N/A LEU 141.A N ASP 137.A O no hydrogen 3.229 N/A ILE 142.A N ALA 139.A O no hydrogen 2.906 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.451 N/A LYS 144.A N ALA 140.A O no hydrogen 2.772 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.559 N/A HIS 145.A N LEU 141.A O no hydrogen 2.777 N/A LYS 146.A N ILE 142.A O no hydrogen 3.145 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.116 N/A TRP 147.A N THR 143.A O no hydrogen 3.043 N/A GLU 148.A N LYS 144.A O no hydrogen 2.959 N/A GLN 149.A N HIS 145.A O no hydrogen 2.977 N/A ALA 150.A N LYS 146.A O no hydrogen 2.860 N/A GLY 151.A N GLU 148.A O no hydrogen 3.213 N/A GLU 152.A N TRP 147.A O no hydrogen 2.808 N/A ARG 155.A N GLY 151.A O no hydrogen 3.375 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 2.761 N/A ARG 155.A NH2 GLU 152.A OE1 no hydrogen 2.863 N/A LEU 156.A N GLU 152.A O no hydrogen 2.612 N/A ARG 157.A N ALA 153.A O no hydrogen 2.713 N/A ALA 158.A N GLU 154.A O no hydrogen 3.204 N/A TYR 159.A N ARG 155.A O no hydrogen 3.264 N/A LEU 160.A N LEU 156.A O no hydrogen 2.824 N/A GLU 161.A N ARG 157.A O no hydrogen 2.985 N/A CYS 164.A N TYR 159.A O no hydrogen 2.612 N/A GLU 166.A N GLY 162.A O no hydrogen 3.001 N/A TRP 167.A N THR 163.A O no hydrogen 3.206 N/A LEU 168.A N CYS 164.A O no hydrogen 3.092 N/A ARG 169.A N VAL 165.A O no hydrogen 2.913 N/A ARG 169.A NE GLY 107.A O no hydrogen 2.792 N/A ARG 169.A NH2 GLY 107.A O no hydrogen 2.941 N/A ARG 170.A N GLU 166.A O no hydrogen 2.941 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.734 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.522 N/A TYR 171.A N TRP 167.A O no hydrogen 2.814 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.471 N/A LEU 172.A N LEU 168.A O no hydrogen 2.901 N/A LYS 173.A N ARG 169.A O no hydrogen 3.009 N/A ASN 174.A N ARG 170.A O no hydrogen 2.661 N/A GLY 175.A N TYR 171.A O no hydrogen 2.597 N/A ASN 176.A N LYS 173.A O no hydrogen 3.361 N/A THR 178.A N GLY 175.A O no hydrogen 3.183 N/A LEU 179.A N GLY 175.A O no hydrogen 2.803 N/A LEU 180.A N ASN 176.A O no hydrogen 2.787 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 3.459 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 2.754 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.743 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.101 N/A ARG 181.A NH2 GLY 236.A O no hydrogen 2.961 N/A ASP 183.A N TYR 209.A O no hydrogen 2.917 N/A SER 184.A OG GLY 262.A O no hydrogen 2.769 N/A LYS 186.A N LEU 206.A O no hydrogen 3.003 N/A HIS 188.A N TRP 204.A O no hydrogen 3.052 N/A THR 190.A N ARG 202.A O no hydrogen 2.742 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.177 N/A HIS 191.A NE2 GLU 251.A OE2 no hydrogen 2.591 N/A HIS 192.A N THR 200.A O no hydrogen 2.893 N/A VAL 199.A N VAL 246.A O no hydrogen 2.755 N/A THR 200.A N HIS 192.A O no hydrogen 2.783 N/A LEU 201.A N VAL 244.A O no hydrogen 2.631 N/A ARG 202.A N THR 190.A O no hydrogen 2.865 N/A CYS 203.A N ALA 242.A O no hydrogen 2.692 N/A TRP 204.A N HIS 188.A O no hydrogen 2.779 N/A ALA 205.A N LYS 240.A O no hydrogen 3.125 N/A LEU 206.A N LYS 186.A O no hydrogen 2.821 N/A PHE 208.A N PHE 238.A O no hydrogen 3.300 N/A TYR 209.A N ASP 183.A O no hydrogen 2.901 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.733 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.070 N/A THR 214.A N TYR 259.A O no hydrogen 3.024 N/A THR 216.A N HIS 257.A O no hydrogen 3.121 N/A TRP 217.A NE1 ALA 242.A O no hydrogen 2.830 N/A GLN 218.A N THR 255.A O no hydrogen 2.906 N/A LEU 219.A N GLU 222.A O no hydrogen 3.221 N/A LEU 224.A N TRP 217.A O no hydrogen 2.834 N/A GLU 226.A N SER 243.A O no hydrogen 2.886 N/A VAL 228.A N TRP 241.A O no hydrogen 3.282 N/A THR 230.A OG1 ALA 211.A O no hydrogen 3.106 N/A ARG 231.A N GLN 239.A O no hydrogen 2.985 N/A ARG 231.A NE GLN 239.A OE1 no hydrogen 2.961 N/A ARG 231.A NH2 GLN 239.A OE1 no hydrogen 2.856 N/A ALA 233.A N THR 237.A O no hydrogen 2.898 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.124 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.816 N/A PHE 238.A N PHE 208.A O no hydrogen 2.860 N/A GLN 239.A N ARG 231.A O no hydrogen 2.800 N/A LYS 240.A N ALA 205.A O no hydrogen 3.202 N/A LYS 240.A NZ VAL 228.A O no hydrogen 3.030 N/A ALA 242.A N CYS 203.A O no hydrogen 3.055 N/A SER 243.A N GLU 226.A O no hydrogen 2.780 N/A VAL 244.A N LEU 201.A O no hydrogen 2.781 N/A VAL 246.A N VAL 199.A O no hydrogen 2.572 N/A LEU 248.A N ASP 197.A O no hydrogen 3.279 N/A GLY 249.A N GLU 251.A OE1 no hydrogen 2.696 N/A LYS 250.A N PRO 247.A O no hydrogen 3.108 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.734 N/A TYR 253.A N LYS 250.A O no hydrogen 3.102 N/A TYR 254.A N GLU 251.A O no hydrogen 3.147 N/A THR 255.A N GLN 218.A O no hydrogen 3.143 N/A THR 255.A OG1 HIS 257.A NE2 no hydrogen 3.414 N/A CYS 256.A N LEU 269.A O no hydrogen 2.643 N/A HIS 257.A N THR 216.A O no hydrogen 2.888 N/A VAL 258.A N LEU 267.A O no hydrogen 3.061 N/A TYR 259.A N THR 214.A O no hydrogen 2.922 N/A HIS 260.A NE2 PRO 210.A O no hydrogen 2.737 N/A GLN 261.A NE2 THR 182.A OG1 no hydrogen 3.189 N/A GLY 262.A N HIS 260.A ND1 no hydrogen 2.959 N/A LEU 263.A N HIS 260.A O no hydrogen 2.823 N/A LEU 267.A N VAL 258.A O no hydrogen 3.055 N/A LEU 269.A N CYS 256.A O no hydrogen 3.003 N/A