Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 25.A OD2 no hydrogen 3.088 N/A LYS 1.A NZ ASP 23.A O no hydrogen 3.214 N/A ARG 2.A NE GLY 105.A O no hydrogen 3.496 N/A ALA 3.A N ASP 26.A O no hydrogen 3.016 N/A VAL 4.A N ALA 108.A O no hydrogen 2.859 N/A VAL 5.A N HIS 28.A O no hydrogen 2.872 N/A VAL 6.A N ILE 110.A O no hydrogen 2.966 N/A PHE 7.A N ILE 30.A O no hydrogen 2.812 N/A SER 8.A N SER 13.A OG no hydrogen 3.031 N/A GLY 9.A N SER 13.A OG no hydrogen 3.183 N/A THR 14.A N GLY 10.A O no hydrogen 3.125 N/A THR 14.A OG1 GLY 10.A O no hydrogen 2.609 N/A THR 15.A N GLN 11.A O no hydrogen 2.956 N/A THR 15.A OG1 GLN 11.A O no hydrogen 2.688 N/A CYS 16.A N ASP 12.A O no hydrogen 3.004 N/A CYS 16.A SG ASP 12.A O no hydrogen 3.290 N/A LEU 17.A N SER 13.A O no hydrogen 2.964 N/A ILE 18.A N THR 14.A O no hydrogen 2.925 N/A GLN 19.A N THR 15.A O no hydrogen 3.067 N/A GLN 19.A NE2 TYR 164.A OH no hydrogen 2.548 N/A ALA 20.A N CYS 16.A O no hydrogen 2.797 N/A LEU 21.A N LEU 17.A O no hydrogen 2.959 N/A GLN 22.A N GLN 19.A O no hydrogen 3.076 N/A ASP 23.A N GLN 19.A O no hydrogen 3.294 N/A ASP 23.A N ALA 20.A O no hydrogen 3.118 N/A TYR 24.A N ALA 20.A O no hydrogen 2.849 N/A TYR 24.A OH GLU 147.A OE1 no hydrogen 2.882 N/A ASP 25.A N LYS 1.A O no hydrogen 2.833 N/A HIS 28.A N ALA 3.A O no hydrogen 2.899 N/A HIS 28.A ND1 TYR 100.A OH no hydrogen 2.674 N/A CYS 29.A N ALA 56.A O no hydrogen 2.898 N/A ILE 30.A N VAL 5.A O no hydrogen 2.856 N/A THR 31.A N LYS 58.A O no hydrogen 2.799 N/A THR 31.A OG1 PHE 7.A O no hydrogen 2.446 N/A THR 31.A OG1 HIS 57.A NE2 no hydrogen 2.674 N/A ASP 33.A N LEU 60.A O no hydrogen 2.933 N/A TYR 34.A N GLN 36.A OE1 no hydrogen 3.107 N/A GLY 35.A N ASP 33.A OD1 no hydrogen 3.265 N/A ARG 37.A NH1 CYS 177.A O no hydrogen 3.058 N/A ARG 37.A NH2 THR 176.A O no hydrogen 3.456 N/A ARG 37.A NH2 CYS 177.A O no hydrogen 3.344 N/A ILE 42.A N HIS 38.A O no hydrogen 2.963 N/A GLU 43.A N ARG 39.A O no hydrogen 2.703 N/A VAL 44.A N ALA 40.A O no hydrogen 2.683 N/A ALA 45.A N GLU 41.A O no hydrogen 2.930 N/A GLN 46.A N ILE 42.A O no hydrogen 2.854 N/A GLN 46.A NE2 HIS 57.A O no hydrogen 3.538 N/A GLU 47.A N GLU 43.A O no hydrogen 3.008 N/A LEU 48.A N VAL 44.A O no hydrogen 2.837 N/A SER 49.A N ALA 45.A O no hydrogen 3.065 N/A SER 49.A OG GLN 46.A O no hydrogen 2.904 N/A SER 49.A OG HIS 57.A ND1 no hydrogen 2.789 N/A GLN 50.A N GLN 46.A O no hydrogen 2.885 N/A LYS 51.A N GLU 47.A O no hydrogen 2.709 N/A LEU 52.A N LEU 48.A O no hydrogen 2.812 N/A GLY 53.A N GLN 50.A O no hydrogen 3.183 N/A ALA 54.A N SER 49.A O no hydrogen 2.849 N/A ALA 55.A N VAL 27.A O no hydrogen 2.808 N/A HIS 57.A ND1 SER 49.A OG no hydrogen 2.789 N/A HIS 57.A NE2 THR 31.A OG1 no hydrogen 2.674 N/A LYS 58.A N CYS 29.A O no hydrogen 2.865 N/A LEU 60.A N THR 31.A O no hydrogen 2.844 N/A VAL 62.A N ASP 33.A O no hydrogen 2.888 N/A GLY 63.A N ASP 61.A OD1 no hydrogen 2.873 N/A LEU 65.A N VAL 62.A O no hydrogen 3.110 N/A ASN 66.A N GLY 63.A O no hydrogen 3.197 N/A ASN 66.A ND2 TYR 34.A O no hydrogen 2.649 N/A GLU 67.A N LEU 64.A O no hydrogen 3.071 N/A LEU 68.A N LEU 65.A O no hydrogen 2.907 N/A ALA 69.A N ASN 66.A O no hydrogen 3.477 N/A SER 72.A OG ASN 66.A O no hydrogen 2.697 N/A LEU 73.A N ALA 69.A O no hydrogen 2.959 N/A THR 74.A N THR 70.A O no hydrogen 2.876 N/A THR 74.A OG1 THR 70.A O no hydrogen 2.795 N/A THR 74.A OG1 SER 71.A O no hydrogen 2.986 N/A ARG 75.A N SER 71.A O no hydrogen 3.076 N/A ASP 76.A N SER 72.A O no hydrogen 2.715 N/A SER 77.A N THR 74.A O no hydrogen 3.165 N/A ILE 78.A N LEU 73.A O no hydrogen 2.876 N/A ARG 89.A NE TYR 34.A OH no hydrogen 3.326 N/A ASN 90.A N ASP 123.A OD2 no hydrogen 2.731 N/A ASN 90.A ND2 ASP 123.A O no hydrogen 2.823 N/A ILE 91.A N GLY 88.A O no hydrogen 3.198 N/A LEU 92.A N GLY 88.A O no hydrogen 3.491 N/A PHE 93.A N ARG 89.A O no hydrogen 2.974 N/A LEU 94.A N ASN 90.A O no hydrogen 2.961 N/A THR 95.A N ILE 91.A O no hydrogen 3.081 N/A THR 95.A OG1 ILE 91.A O no hydrogen 2.722 N/A LEU 96.A N LEU 92.A O no hydrogen 2.915 N/A ALA 97.A N PHE 93.A O no hydrogen 2.967 N/A SER 98.A N LEU 94.A O no hydrogen 2.994 N/A SER 98.A OG LEU 94.A O no hydrogen 2.748 N/A ILE 99.A N THR 95.A O no hydrogen 3.083 N/A TYR 100.A N LEU 96.A O no hydrogen 2.875 N/A TYR 100.A OH HIS 28.A ND1 no hydrogen 2.674 N/A ALA 101.A N ALA 97.A O no hydrogen 2.703 N/A TYR 102.A N SER 98.A O no hydrogen 2.802 N/A GLN 103.A N ILE 99.A O no hydrogen 3.155 N/A VAL 104.A N TYR 100.A O no hydrogen 3.030 N/A GLY 105.A N TYR 102.A O no hydrogen 3.351 N/A ALA 106.A N ALA 101.A O no hydrogen 2.645 N/A GLU 107.A N ARG 2.A O no hydrogen 2.846 N/A VAL 109.A N ARG 145.A O no hydrogen 2.878 N/A ILE 110.A N VAL 4.A O no hydrogen 2.622 N/A THR 111.A N GLU 147.A O no hydrogen 2.949 N/A CYS 114.A SG THR 116.A OG1 no hydrogen 3.779 N/A CYS 114.A SG ASP 117.A OD2 no hydrogen 3.474 N/A THR 116.A OG1 LEU 152.A O no hydrogen 2.582 N/A CYS 124.A N TYR 121.A O no hydrogen 3.103 N/A ARG 125.A N PRO 122.A O no hydrogen 3.470 N/A ARG 125.A NH1 GLU 127.A OE1 no hydrogen 3.220 N/A ARG 125.A NH2 GLU 127.A OE1 no hydrogen 3.102 N/A ASP 126.A N GLU 115.A OE2 no hydrogen 2.754 N/A VAL 129.A N ARG 125.A O no hydrogen 2.997 N/A LYS 130.A N ASP 126.A O no hydrogen 3.106 N/A LYS 130.A NZ ASP 126.A OD2 no hydrogen 2.619 N/A ALA 131.A N GLU 127.A O no hydrogen 3.046 N/A LEU 132.A N PHE 128.A O no hydrogen 2.807 N/A ASN 133.A N VAL 129.A O no hydrogen 2.815 N/A ASN 133.A ND2 ILE 144.A O no hydrogen 2.872 N/A GLN 134.A N LYS 130.A O no hydrogen 3.042 N/A GLN 134.A NE2 LYS 130.A O no hydrogen 3.537 N/A ALA 135.A N ALA 131.A O no hydrogen 3.230 N/A ILE 136.A N LEU 132.A O no hydrogen 2.848 N/A VAL 137.A N ASN 133.A O no hydrogen 2.942 N/A GLY 139.A N ALA 135.A O no hydrogen 2.926 N/A ILE 140.A N ILE 136.A O no hydrogen 2.803 N/A ARG 142.A N VAL 137.A O no hydrogen 3.351 N/A ARG 142.A NH1 TYR 102.A O no hydrogen 3.130 N/A ARG 145.A N GLU 107.A O no hydrogen 2.843 N/A ARG 145.A NE GLU 147.A OE2 no hydrogen 2.916 N/A ARG 145.A NH1 GLU 107.A OE2 no hydrogen 3.114 N/A ARG 145.A NH2 GLU 107.A OE2 no hydrogen 3.234 N/A ARG 145.A NH2 GLU 147.A OE2 no hydrogen 3.187 N/A PHE 146.A N ASN 133.A OD1 no hydrogen 2.935 N/A GLU 147.A N VAL 109.A O no hydrogen 2.931 N/A LEU 152.A N LEU 150.A O no hydrogen 3.197 N/A ASN 153.A N GLU 156.A OE1 no hydrogen 3.084 N/A LYS 154.A NZ ASP 12.A OD1 no hydrogen 3.060 N/A LYS 154.A NZ ASP 12.A OD2 no hydrogen 2.977 N/A GLU 156.A N ASN 153.A OD1 no hydrogen 2.874 N/A THR 157.A N ASN 153.A O no hydrogen 3.130 N/A THR 157.A OG1 ASN 153.A O no hydrogen 3.145 N/A TRP 158.A N LYS 154.A O no hydrogen 3.024 N/A TRP 158.A NE1 ARG 195.A O no hydrogen 2.963 N/A ALA 159.A N ALA 155.A O no hydrogen 3.033 N/A LEU 160.A N GLU 156.A O no hydrogen 2.926 N/A ALA 161.A N THR 157.A O no hydrogen 3.177 N/A ASP 162.A N TRP 158.A O no hydrogen 3.075 N/A TYR 163.A N ALA 159.A O no hydrogen 2.706 N/A TYR 164.A N LEU 160.A O no hydrogen 3.242 N/A GLN 165.A N ASP 162.A O no hydrogen 2.833 N/A GLN 166.A N ALA 161.A O no hydrogen 3.004 N/A VAL 170.A N GLN 166.A O no hydrogen 3.311 N/A ARG 171.A N LEU 167.A O no hydrogen 2.773 N/A ARG 171.A NE ASP 184.A OD1 no hydrogen 3.082 N/A ARG 171.A NH2 ASP 184.A OD2 no hydrogen 2.948 N/A TYR 172.A N ASP 168.A O no hydrogen 2.986 N/A HIS 173.A N THR 169.A O no hydrogen 3.045 N/A THR 174.A OG1 VAL 170.A O no hydrogen 2.493 N/A LEU 175.A N GLY 9.A O no hydrogen 2.979 N/A GLY 180.A N CYS 177.A O no hydrogen 3.440 N/A LYS 182.A NZ TYR 172.A O no hydrogen 3.053 N/A GLY 183.A N THR 174.A O no hydrogen 2.758 N/A GLY 185.A N LYS 182.A O no hydrogen 3.229 N/A CYS 192.A SG ASP 184.A O no hydrogen 3.735 N/A HIS 193.A N CYS 189.A O no hydrogen 2.921 N/A LEU 194.A N ALA 190.A O no hydrogen 3.028 N/A ARG 195.A N ALA 191.A O no hydrogen 3.215 N/A ARG 195.A NH1 THR 174.A OG1 no hydrogen 2.934 N/A ARG 195.A NH1 THR 176.A OG1 no hydrogen 2.811 N/A ARG 195.A NH2 VAL 170.A O no hydrogen 3.074 N/A ALA 196.A N CYS 192.A O no hydrogen 2.947 N/A ASN 197.A N HIS 193.A O no hydrogen 2.842 N/A GLY 198.A N LEU 194.A O no hydrogen 3.136 N/A LEU 199.A N ARG 195.A O no hydrogen 3.024 N/A ALA 200.A N ALA 196.A O no hydrogen 3.003 N/A GLN 201.A N ASN 197.A O no hydrogen 2.854 N/A TYR 202.A N GLY 198.A O no hydrogen 3.015 N/A TYR 202.A OH ASP 162.A OD2 no hydrogen 2.533 N/A GLN 203.A N LEU 199.A O no hydrogen 3.054 N/A LYS 204.A N ALA 200.A O no hydrogen 3.098 N/A ASP 205.A N GLN 201.A O no hydrogen 2.970 N/A VAL 209.A N ASP 205.A O no hydrogen 3.113 N/A SER 211.A N THR 208.A O no hydrogen 2.943 N/A SER 211.A OG GLU 156.A OE2 no hydrogen 2.417 N/A LEU 212.A N VAL 209.A O no hydrogen 2.787 N/A GLN 214.A N ALA 210.A O no hydrogen 3.004 N/A LYS 215.A N SER 211.A O no hydrogen 3.198 N/A LYS 215.A N LEU 212.A O no hydrogen 2.961 N/A LYS 215.A NZ TRP 151.A O no hydrogen 2.891 N/A LYS 215.A NZ GLU 156.A OE1 no hydrogen 2.791 N/A LYS 215.A NZ GLU 156.A OE2 no hydrogen 2.959 N/A VAL 216.A N LEU 212.A O no hydrogen 3.217 N/A VAL 216.A N LYS 213.A O no hydrogen 3.361 N/A GLY 217.A N LYS 213.A O no hydrogen 3.149 N/A