Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLY 1.A O no hydrogen 3.168 N/A ARG 5.A N SER 2.A O no hydrogen 3.089 N/A GLU 6.A N GLY 3.A O no hydrogen 3.234 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.798 N/A TYR 9.A N GLU 6.A O no hydrogen 3.103 N/A TRP 10.A NE1 TYR 4.A O no hydrogen 2.763 N/A ASP 11.A N VAL 7.A O no hydrogen 2.834 N/A GLN 12.A N GLU 8.A O no hydrogen 3.109 N/A ARG 13.A N TYR 9.A O no hydrogen 2.909 N/A ARG 13.A NH1 TYR 9.A OH no hydrogen 2.836 N/A TYR 14.A N TRP 10.A O no hydrogen 2.892 N/A GLN 15.A N GLN 12.A O no hydrogen 3.380 N/A GLN 15.A NE2 ASP 11.A O no hydrogen 3.047 N/A ALA 17.A N TYR 14.A O no hydrogen 3.068 N/A ASP 19.A N GLY 16.A O no hydrogen 3.123 N/A SER 20.A N GLY 16.A O no hydrogen 3.252 N/A SER 20.A OG.A GLY 16.A O no hydrogen 2.982 N/A SER 20.A OG.B ALA 21.A O no hydrogen 3.540 N/A TYR 23.A N ASN 53.A O no hydrogen 3.091 N/A SER 30.A N ASP 28.A OD2 no hydrogen 2.895 N/A SER 30.A OG ASP 28.A OD1 no hydrogen 3.315 N/A SER 30.A OG ASP 28.A OD2 no hydrogen 2.489 N/A SER 31.A N ASP 28.A O no hydrogen 2.843 N/A SER 31.A OG.A ASP 28.A O no hydrogen 3.466 N/A SER 31.A OG.B ASP 28.A O no hydrogen 2.864 N/A PHE 32.A N PHE 29.A O no hydrogen 3.238 N/A ARG 33.A N PHE 29.A O no hydrogen 2.863 N/A LEU 36.A N PHE 32.A O no hydrogen 2.893 N/A GLU 37.A N ARG 33.A O no hydrogen 2.803 N/A GLU 39.A N LEU 36.A O no hydrogen 2.912 N/A LEU 40.A N GLU 37.A O no hydrogen 3.016 N/A ARG 41.A N ASP 44.A OD2 no hydrogen 2.836 N/A ARG 41.A NE ASP 44.A OD1 no hydrogen 2.766 N/A ARG 41.A NH2 ASP 44.A OD1 no hydrogen 2.930 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.815 N/A ASP 44.A N ARG 41.A O no hydrogen 2.873 N/A ARG 45.A N ASP 109.A OD2 no hydrogen 2.817 N/A ARG 45.A NE ASP 109.A OD2 no hydrogen 3.011 N/A ARG 45.A NH2 ASP 109.A OD1 no hydrogen 3.253 N/A ILE 46.A N ASN 67.A O no hydrogen 2.859 N/A LEU 47.A N VAL 110.A O no hydrogen 2.927 N/A VAL 48.A N THR 69.A O no hydrogen 2.723 N/A LEU 49.A N LEU 112.A O no hydrogen 2.883 N/A CYS 51.A N VAL 71.A O no hydrogen 2.901 N/A CYS 51.A SG GLY 52.A O no hydrogen 3.637 N/A CYS 51.A SG VAL 71.A O no hydrogen 3.667 N/A GLY 52.A N ASP 72.A OD2 no hydrogen 2.846 N/A SER 54.A N CYS 51.A O no hydrogen 3.263 N/A SER 54.A OG ASP 24.A OD1 no hydrogen 2.563 N/A ALA 55.A N ASP 24.A OD2 no hydrogen 2.968 N/A LEU 56.A N SER 54.A OG no hydrogen 2.998 N/A SER 57.A OG SER 70.A OG no hydrogen 2.706 N/A TYR 58.A OH HIS 87.A NE2 no hydrogen 3.388 N/A GLU 59.A N ALA 55.A O no hydrogen 2.870 N/A LEU 60.A N LEU 56.A O no hydrogen 2.872 N/A PHE 61.A N SER 57.A O no hydrogen 3.218 N/A LEU 62.A N TYR 58.A O no hydrogen 2.902 N/A GLY 63.A N GLU 59.A O no hydrogen 2.898 N/A GLY 64.A N PHE 61.A O no hydrogen 3.085 N/A PHE 65.A N LEU 60.A O no hydrogen 2.938 N/A ASN 67.A ND2 GLU 43.A O no hydrogen 3.126 N/A ASN 67.A ND2 ASP 44.A O no hydrogen 3.589 N/A VAL 68.A N PRO 66.A O no hydrogen 2.924 N/A THR 69.A N ILE 46.A O no hydrogen 2.860 N/A SER 70.A N ARG 92.A O no hydrogen 2.812 N/A SER 70.A OG SER 57.A OG no hydrogen 2.706 N/A VAL 71.A N VAL 48.A O no hydrogen 2.893 N/A ASP 72.A N GLU 94.A O no hydrogen 3.294 N/A TYR 73.A OH ARG 5.A O no hydrogen 2.719 N/A SER 74.A N ASP 72.A OD1 no hydrogen 2.905 N/A SER 74.A OG ASP 11.A OD1 no hydrogen 2.655 N/A SER 75.A OG THR 95.A OG1 no hydrogen 3.038 N/A VAL 76.A N ASP 11.A OD1 no hydrogen 3.471 N/A VAL 77.A N SER 74.A OG no hydrogen 3.100 N/A VAL 78.A N SER 74.A O no hydrogen 3.054 N/A ALA 79.A N SER 75.A O no hydrogen 2.954 N/A ALA 80.A N VAL 76.A O no hydrogen 3.071 N/A MET 81.A N VAL 77.A O no hydrogen 2.852 N/A GLN 82.A N VAL 78.A O no hydrogen 2.885 N/A GLN 82.A NE2 TRP 93.A O no hydrogen 3.007 N/A ALA 83.A N ALA 79.A O no hydrogen 3.096 N/A CYS 84.A N ALA 80.A O no hydrogen 2.880 N/A CYS 84.A SG ALA 18.A O no hydrogen 3.955 N/A TYR 85.A N MET 81.A O no hydrogen 2.938 N/A ALA 86.A N ALA 83.A O no hydrogen 3.366 N/A VAL 88.A N TYR 85.A O no hydrogen 2.834 N/A GLN 90.A N GLN 90.A OE1 no hydrogen 2.777 N/A LEU 91.A N VAL 88.A O no hydrogen 3.089 N/A ARG 92.A N VAL 68.A O no hydrogen 2.983 N/A GLU 94.A N SER 70.A O no hydrogen 2.930 N/A THR 95.A OG1 SER 75.A OG no hydrogen 3.038 N/A MET 96.A N ASP 72.A O no hydrogen 2.920 N/A ARG 99.A N ASP 97.A OD1 no hydrogen 3.031 N/A ARG 99.A NE GLN 140.A OE1 no hydrogen 2.829 N/A ARG 99.A NH2 GLN 140.A OE1 no hydrogen 2.933 N/A LYS 100.A N ASP 97.A O no hydrogen 2.965 N/A LEU 101.A N GLU 144.A OE1 no hydrogen 2.813 N/A ALA 106.A N ARG 147.A O no hydrogen 2.998 N/A SER 107.A N VAL 148.A O no hydrogen 2.765 N/A SER 107.A OG PRO 104.A O no hydrogen 2.749 N/A PHE 108.A N VAL 148.A O no hydrogen 3.015 N/A ASP 109.A N ARG 45.A O no hydrogen 2.847 N/A VAL 110.A N ARG 45.A O no hydrogen 3.076 N/A VAL 111.A N ARG 154.A O no hydrogen 2.921 N/A LEU 112.A N LEU 47.A O no hydrogen 2.821 N/A GLU 113.A N ILE 156.A O no hydrogen 2.999 N/A LYS 114.A NZ ASP 24.A OD1 no hydrogen 2.854 N/A LYS 114.A NZ TRP 25.A O no hydrogen 2.764 N/A LYS 114.A NZ GLY 27.A O no hydrogen 2.897 N/A GLY 115.A N MET 158.A O no hydrogen 3.066 N/A THR 116.A N GLU 113.A OE1 no hydrogen 2.843 N/A THR 116.A OG1 LEU 49.A O no hydrogen 2.954 N/A THR 116.A OG1 GLY 50.A O no hydrogen 3.334 N/A LEU 117.A N GLU 113.A OE1 no hydrogen 2.999 N/A ALA 119.A N GLY 115.A O no hydrogen 3.350 N/A LEU 120.A N THR 116.A O no hydrogen 3.260 N/A LEU 121.A N LEU 117.A O no hydrogen 2.975 N/A LEU 121.A N ASP 118.A O no hydrogen 3.260 N/A ALA 122.A N ALA 119.A O no hydrogen 3.150 N/A TRP 128.A N ASP 126.A OD1 no hydrogen 2.792 N/A THR 129.A N ASP 126.A O no hydrogen 3.139 N/A THR 129.A OG1 ASP 126.A OD2 no hydrogen 2.747 N/A SER 131.A N GLU 124.A OE1 no hydrogen 2.850 N/A SER 131.A OG GLU 124.A OE1 no hydrogen 3.488 N/A SER 131.A OG GLU 124.A OE2 no hydrogen 2.592 N/A GLY 134.A N SER 131.A OG no hydrogen 3.086 N/A VAL 135.A N SER 131.A O no hydrogen 3.046 N/A HIS 136.A N SER 132.A O no hydrogen 3.054 N/A THR 137.A N GLU 133.A O no hydrogen 2.868 N/A THR 137.A OG1 GLU 133.A O no hydrogen 3.054 N/A THR 137.A OG1 GLY 134.A O no hydrogen 3.512 N/A VAL 138.A N GLY 134.A O no hydrogen 3.293 N/A ASP 139.A N VAL 135.A O no hydrogen 2.969 N/A GLN 140.A N HIS 136.A O no hydrogen 2.937 N/A VAL 141.A N THR 137.A O no hydrogen 3.128 N/A LEU 142.A N VAL 138.A O no hydrogen 2.978 N/A SER 143.A N ASP 139.A O no hydrogen 2.828 N/A GLU 144.A N GLN 140.A O no hydrogen 3.087 N/A VAL 145.A N VAL 141.A O no hydrogen 2.845 N/A SER 146.A N LEU 142.A O no hydrogen 2.985 N/A SER 146.A OG TYR 175.A O no hydrogen 2.689 N/A ARG 147.A N SER 143.A O no hydrogen 2.926 N/A ARG 147.A NE GLU 144.A OE2 no hydrogen 2.844 N/A ARG 147.A NH1 PHE 103.A O no hydrogen 2.988 N/A ARG 147.A NH1 SER 105.A OG no hydrogen 3.050 N/A ARG 147.A NH2 PHE 103.A O no hydrogen 3.227 N/A ARG 147.A NH2 GLU 144.A OE1 no hydrogen 2.908 N/A VAL 148.A N GLU 144.A O no hydrogen 2.900 N/A LEU 149.A N VAL 145.A O no hydrogen 3.069 N/A VAL 150.A N PHE 108.A O no hydrogen 2.920 N/A GLY 153.A N VAL 150.A O no hydrogen 2.963 N/A ARG 154.A N ASP 109.A O no hydrogen 3.068 N/A PHE 155.A N MET 195.A O no hydrogen 2.863 N/A ILE 156.A N VAL 111.A O no hydrogen 2.919 N/A SER 157.A N TYR 193.A O no hydrogen 2.938 N/A SER 157.A OG GLU 113.A OE2 no hydrogen 2.572 N/A SER 157.A OG TYR 170.A OH no hydrogen 2.603 N/A MET 158.A N GLU 113.A O no hydrogen 2.843 N/A THR 159.A N HIS 191.A O no hydrogen 2.994 N/A THR 159.A OG1 ASP 118.A OD1 no hydrogen 2.672 N/A THR 159.A OG1 ASP 118.A OD2 no hydrogen 3.147 N/A ALA 161.A N THR 159.A OG1 no hydrogen 2.803 N/A PHE 165.A N ALA 162.A O no hydrogen 2.952 N/A ARG 166.A N ALA 162.A O no hydrogen 2.996 N/A ARG 166.A NH1 TYR 170.A OH no hydrogen 2.996 N/A ARG 166.A NH2 ASP 118.A OD1 no hydrogen 2.913 N/A THR 167.A N PRO 163.A O no hydrogen 3.026 N/A THR 167.A OG1 PRO 163.A O no hydrogen 3.245 N/A ARG 168.A NE PHE 165.A O no hydrogen 2.729 N/A ARG 168.A NH1 TRP 128.A O no hydrogen 2.872 N/A ARG 168.A NH2 PRO 127.A O no hydrogen 2.858 N/A HIS 169.A N ARG 166.A O no hydrogen 3.036 N/A TYR 170.A N ARG 166.A O no hydrogen 3.420 N/A TYR 170.A OH SER 157.A OG no hydrogen 2.603 N/A ALA 171.A N THR 167.A O no hydrogen 2.935 N/A GLN 172.A NE2 ARG 168.A O no hydrogen 2.950 N/A GLN 172.A NE2 GLY 209.A O no hydrogen 3.063 N/A TYR 174.A OH ASP 139.A OD1 no hydrogen 2.590 N/A TYR 174.A OH ASP 139.A OD2 no hydrogen 3.387 N/A TYR 175.A N GLN 172.A O no hydrogen 3.237 N/A TYR 175.A OH ASP 139.A OD1 no hydrogen 2.598 N/A GLY 176.A N ALA 173.A O no hydrogen 2.977 N/A TRP 177.A NE1 TYR 170.A O no hydrogen 2.988 N/A SER 178.A N HIS 196.A O no hydrogen 3.108 N/A SER 178.A OG HIS 196.A O no hydrogen 3.524 N/A ARG 180.A N LEU 194.A O no hydrogen 2.833 N/A HIS 181.A NE2 HIS 191.A ND1 no hydrogen 2.716 N/A ALA 182.A N LEU 192.A O no hydrogen 2.888 N/A TYR 184.A N PHE 190.A O no hydrogen 2.950 N/A TYR 184.A OH PHE 26.A O no hydrogen 2.687 N/A PHE 188.A N GLY 185.A O no hydrogen 2.831 N/A HIS 189.A N SER 186.A O no hydrogen 2.927 N/A PHE 190.A N TYR 184.A O no hydrogen 3.108 N/A HIS 191.A N THR 159.A O no hydrogen 2.823 N/A HIS 191.A ND1 HIS 181.A NE2 no hydrogen 2.716 N/A LEU 192.A N ALA 182.A O no hydrogen 2.789 N/A TYR 193.A N SER 157.A O no hydrogen 2.788 N/A TYR 193.A OH ALA 161.A O no hydrogen 2.751 N/A LEU 194.A N ARG 180.A O no hydrogen 2.874 N/A MET 195.A N PHE 155.A O no hydrogen 2.829 N/A LYS 197.A N GLY 153.A O no hydrogen 2.831 N/A LYS 197.A NZ SER 146.A O no hydrogen 2.636 N/A LYS 197.A NZ LEU 149.A O no hydrogen 2.967 N/A LYS 197.A NZ VAL 150.A O no hydrogen 3.500 N/A GLY 198.A N GLY 176.A O no hydrogen 2.767 N/A GLY 199.A N HIS 196.A O no hydrogen 3.118 N/A SER 202.A N GLN 205.A OE1 no hydrogen 2.893 N/A GLN 205.A N SER 202.A OG no hydrogen 2.987 N/A GLN 205.A NE2 LEU 179.A O no hydrogen 2.806 N/A LEU 206.A N SER 202.A O no hydrogen 2.891 N/A ALA 207.A N VAL 203.A O no hydrogen 2.935 N/A LEU 208.A N ALA 204.A O no hydrogen 3.210 N/A GLY 209.A N GLN 205.A O no hydrogen 2.889 N/A ALA 210.A N LEU 206.A O no hydrogen 2.863 N/A GLN 211.A N LEU 208.A O no hydrogen 3.000 N/A ILE 212.A N GLY 209.A O no hydrogen 3.230 N/A LEU 213.A N GLY 209.A O no hydrogen 3.266 N/A