Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLY 31.A O no hydrogen 2.780 N/A ASN 5.A N THR 33.A O no hydrogen 2.679 N/A SER 7.A OG GLN 236.A OE1 no hydrogen 2.810 N/A TRP 8.A N ASN 5.A O no hydrogen 3.306 N/A TRP 8.A NE1 GLU 237.A OE2 no hydrogen 2.858 N/A ASN 9.A N LYS 6.A O no hydrogen 2.871 N/A ALA 10.A N SER 7.A O no hydrogen 3.139 N/A HIS 11.A N TRP 8.A O no hydrogen 2.987 N/A THR 13.A N ASN 9.A O no hydrogen 2.799 N/A THR 13.A OG1 ASN 9.A O no hydrogen 3.259 N/A GLU 14.A N ALA 10.A O no hydrogen 2.763 N/A HIS 15.A N PHE 12.A O no hydrogen 3.079 N/A HIS 15.A NE2 GLU 232.A OE2 no hydrogen 2.518 N/A LYS 16.A N THR 13.A O no hydrogen 2.727 N/A SER 17.A N PHE 12.A O no hydrogen 2.860 N/A SER 17.A OG HIS 15.A O no hydrogen 2.986 N/A GLN 18.A NE2 SER 17.A O no hydrogen 3.029 N/A VAL 20.A N ASN 214.A O no hydrogen 2.828 N/A VAL 21.A N ASN 34.A OD1 no hydrogen 2.852 N/A VAL 22.A N ALA 212.A O no hydrogen 2.739 N/A LEU 23.A N PHE 32.A O no hydrogen 2.786 N/A TRP 24.A N PHE 210.A O no hydrogen 2.856 N/A ASN 25.A N GLN 30.A O no hydrogen 2.799 N/A GLU 26.A N VAL 208.A O no hydrogen 3.011 N/A ASN 27.A ND2 ASP 206.A O no hydrogen 2.688 N/A LYS 28.A N ASN 25.A OD1 no hydrogen 3.010 N/A GLN 29.A NE2 GLU 26.A O no hydrogen 3.002 N/A GLN 30.A N ASN 25.A O no hydrogen 3.335 N/A GLY 31.A N GLU 1.A O no hydrogen 2.920 N/A PHE 32.A N LEU 23.A O no hydrogen 2.874 N/A THR 33.A N GLN 3.A O no hydrogen 2.798 N/A THR 33.A OG1 VAL 21.A O no hydrogen 2.772 N/A ASN 34.A ND2 ASN 9.A OD1 no hydrogen 2.639 N/A ASN 34.A ND2 GLY 19.A O no hydrogen 3.077 N/A ASN 35.A N THR 33.A OG1 no hydrogen 3.225 N/A LEU 36.A N GLU 4.A OE1 no hydrogen 2.776 N/A ARG 38.A NE ASN 214.A OD1 no hydrogen 2.827 N/A ARG 38.A NH1 ASN 214.A OD1 no hydrogen 2.899 N/A ARG 38.A NH1 ASP 216.A OD1 no hydrogen 2.968 N/A ARG 38.A NH2 ASP 216.A OD1 no hydrogen 2.925 N/A ALA 39.A N ASN 35.A O no hydrogen 2.754 N/A ASN 40.A N LYS 37.A O no hydrogen 3.059 N/A GLN 41.A N ARG 38.A O no hydrogen 2.953 N/A PHE 43.A N ILE 140.A O no hydrogen 2.868 N/A ALA 46.A N TRP 133.A O no hydrogen 2.952 N/A THR 48.A N PRO 45.A O no hydrogen 3.018 N/A THR 48.A OG1 PRO 45.A O no hydrogen 2.735 N/A THR 48.A OG1 GLN 145.A OE1 no hydrogen 2.977 N/A PHE 49.A N ALA 46.A O no hydrogen 2.826 N/A ASN 52.A N PHE 49.A O no hydrogen 2.897 N/A SER 53.A OG TYR 99.A OH no hydrogen 2.815 N/A LEU 54.A N ILE 50.A O no hydrogen 3.145 N/A ILE 55.A N PRO 51.A O no hydrogen 3.005 N/A ALA 56.A N ASN 52.A O no hydrogen 2.903 N/A LEU 57.A N SER 53.A O no hydrogen 2.850 N/A ASP 58.A N LEU 54.A O no hydrogen 2.954 N/A LEU 59.A N ILE 55.A O no hydrogen 2.887 N/A GLY 60.A N LEU 57.A O no hydrogen 3.135 N/A VAL 62.A N ALA 56.A O no hydrogen 3.112 N/A GLU 65.A N GLU 65.A OE2 no hydrogen 2.628 N/A HIS 66.A N ASP 64.A OD1 no hydrogen 2.816 N/A GLN 67.A N ASP 64.A OD1 no hydrogen 2.990 N/A PHE 69.A N HIS 85.A O no hydrogen 2.562 N/A LYS 70.A NZ ASP 84.A OD1 no hydrogen 3.308 N/A LYS 70.A NZ ASP 84.A OD2 no hydrogen 2.814 N/A TRP 71.A N ASP 84.A OD1 no hydrogen 2.885 N/A TRP 71.A NE1 GLN 74.A O no hydrogen 2.970 N/A GLN 74.A N ASP 72.A OD1 no hydrogen 3.125 N/A ARG 76.A N ASN 82.A OD1 no hydrogen 2.846 N/A ARG 76.A NH1 ASP 72.A OD2 no hydrogen 2.910 N/A ARG 76.A NH2 ASP 72.A OD1 no hydrogen 3.052 N/A ARG 76.A NH2 ASP 72.A OD2 no hydrogen 3.448 N/A TRP 81.A N ILE 78.A O no hydrogen 2.906 N/A TRP 81.A NE1 TYR 93.A O no hydrogen 2.923 N/A ASN 82.A N ALA 79.A O no hydrogen 2.739 N/A ASN 82.A ND2 ARG 76.A O no hydrogen 3.186 N/A HIS 85.A N PHE 69.A O no hydrogen 2.996 N/A HIS 85.A ND1 THR 89.A OG1 no hydrogen 2.752 N/A HIS 85.A NE2 THR 80.A O no hydrogen 2.735 N/A ASN 86.A N THR 89.A OG1 no hydrogen 3.072 N/A THR 89.A OG1 HIS 85.A ND1 no hydrogen 2.752 N/A THR 89.A OG1 ASN 86.A O no hydrogen 3.411 N/A ALA 90.A N ASN 86.A O no hydrogen 2.764 N/A MET 91.A N LEU 87.A O no hydrogen 2.977 N/A LYS 92.A N ILE 88.A O no hydrogen 2.969 N/A LYS 92.A NZ TYR 93.A OH no hydrogen 3.350 N/A TYR 93.A N THR 89.A O no hydrogen 2.898 N/A SER 94.A N MET 91.A O no hydrogen 3.083 N/A VAL 95.A N ALA 90.A O no hydrogen 2.805 N/A TYR 99.A OH SER 53.A OG no hydrogen 2.815 N/A GLN 100.A N VAL 96.A O no hydrogen 2.879 N/A GLU 101.A N PRO 97.A O no hydrogen 3.159 N/A PHE 102.A N VAL 98.A O no hydrogen 3.128 N/A ALA 103.A N TYR 99.A O no hydrogen 2.821 N/A ARG 104.A N GLN 100.A O no hydrogen 2.866 N/A ARG 104.A NE GLU 101.A OE1 no hydrogen 3.347 N/A ARG 104.A NH1 ASP 130.A OD2 no hydrogen 2.894 N/A ARG 104.A NH2 GLU 101.A OE1 no hydrogen 2.929 N/A GLN 105.A N GLU 101.A O no hydrogen 3.010 N/A GLN 105.A NE2 GLU 101.A OE2 no hydrogen 2.832 N/A ILE 106.A N PHE 102.A O no hydrogen 2.745 N/A GLY 107.A N ALA 103.A O no hydrogen 2.778 N/A ARG 110.A NE ILE 106.A O no hydrogen 2.932 N/A ARG 110.A NH1 GLN 105.A O no hydrogen 2.883 N/A ARG 110.A NH1 ILE 106.A O no hydrogen 3.296 N/A MET 111.A N GLY 107.A O no hydrogen 2.919 N/A SER 112.A N GLU 108.A O no hydrogen 2.889 N/A LYS 113.A N ALA 109.A O no hydrogen 3.112 N/A MET 114.A N ARG 110.A O no hydrogen 2.920 N/A LEU 115.A N MET 111.A O no hydrogen 2.895 N/A HIS 116.A N SER 112.A O no hydrogen 3.011 N/A ALA 117.A N LYS 113.A O no hydrogen 2.872 N/A PHE 118.A N MET 114.A O no hydrogen 2.717 N/A ASP 119.A N HIS 116.A O no hydrogen 2.864 N/A TYR 120.A N LEU 115.A O no hydrogen 2.906 N/A ASN 122.A N ARG 139.A O no hydrogen 2.826 N/A GLU 123.A N TYR 120.A O no hydrogen 3.064 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 3.405 N/A SER 131.A OG ASP 135.A OD1 no hydrogen 3.000 N/A LEU 134.A N SER 131.A O no hydrogen 2.700 N/A ASP 135.A N SER 131.A O no hydrogen 2.898 N/A GLY 136.A N PHE 132.A O no hydrogen 2.904 N/A ARG 139.A NH1 GLY 136.A O no hydrogen 2.843 N/A ARG 139.A NH1 ILE 138.A O no hydrogen 3.145 N/A ILE 140.A N PHE 43.A O no hydrogen 2.840 N/A SER 141.A N GLU 144.A OE1 no hydrogen 2.915 N/A SER 141.A OG THR 143.A OG1 no hydrogen 3.126 N/A THR 143.A N ALA 39.A O no hydrogen 3.076 N/A THR 143.A OG1 ALA 39.A O no hydrogen 3.527 N/A THR 143.A OG1 SER 141.A OG no hydrogen 3.126 N/A GLU 144.A N SER 141.A OG no hydrogen 3.061 N/A GLN 145.A N SER 141.A O no hydrogen 2.825 N/A ILE 146.A N ALA 142.A O no hydrogen 3.055 N/A SER 147.A N.A THR 143.A O no hydrogen 3.063 N/A SER 147.A N.B THR 143.A O no hydrogen 3.060 N/A PHE 148.A N GLU 144.A O no hydrogen 2.974 N/A LEU 149.A N GLN 145.A O no hydrogen 2.833 N/A ARG 150.A N ILE 146.A O no hydrogen 2.849 N/A ARG 150.A NE GLU 26.A OE2 no hydrogen 2.773 N/A ARG 150.A NH1 GLU 26.A OE1 no hydrogen 2.728 N/A ARG 150.A NH1 GLU 26.A OE2 no hydrogen 3.282 N/A LYS 151.A N SER 147.A O.A no hydrogen 3.219 N/A LYS 151.A N SER 147.A O.B no hydrogen 3.216 N/A LYS 151.A NZ SER 147.A OG.B no hydrogen 3.047 N/A LEU 152.A N PHE 148.A O no hydrogen 3.087 N/A TYR 153.A N LEU 149.A O no hydrogen 2.867 N/A HIS 154.A N ARG 150.A O no hydrogen 3.121 N/A HIS 154.A NE2 GLU 26.A OE1 no hydrogen 2.707 N/A ASN 155.A N LEU 152.A O no hydrogen 3.021 N/A LYS 156.A N LYS 151.A O no hydrogen 2.762 N/A HIS 158.A ND1 HIS 158.A O no hydrogen 3.046 N/A SER 160.A N ASP 58.A OD2 no hydrogen 2.876 N/A SER 160.A OG ASP 58.A OD2 no hydrogen 2.906 N/A SER 160.A OG SER 163.A OG no hydrogen 3.140 N/A ARG 162.A NH1 LYS 63.A O no hydrogen 2.749 N/A ARG 162.A NH2 LYS 63.A O no hydrogen 3.568 N/A SER 163.A N SER 160.A OG no hydrogen 2.986 N/A SER 163.A OG ASP 58.A OD2 no hydrogen 2.828 N/A SER 163.A OG SER 160.A OG no hydrogen 3.140 N/A GLN 164.A N SER 160.A O no hydrogen 3.191 N/A ARG 165.A N GLU 161.A O no hydrogen 2.787 N/A ARG 165.A NE GLU 161.A OE2 no hydrogen 2.714 N/A ARG 165.A NH2 GLU 161.A OE2 no hydrogen 3.206 N/A ILE 166.A N ARG 162.A O no hydrogen 2.836 N/A VAL 167.A N SER 163.A O no hydrogen 2.954 N/A LYS 168.A N GLN 164.A O no hydrogen 2.896 N/A LYS 168.A NZ LEU 152.A O no hydrogen 2.943 N/A LYS 168.A NZ TYR 153.A O no hydrogen 2.968 N/A LYS 168.A NZ ASN 155.A OD1 no hydrogen 2.609 N/A GLN 169.A N ARG 165.A O no hydrogen 2.880 N/A GLN 169.A NE2 GLU 65.A OE1 no hydrogen 3.558 N/A ALA 170.A N ILE 166.A O no hydrogen 2.860 N/A MET 171.A N VAL 167.A O no hydrogen 2.904 N/A MET 171.A N LYS 168.A O no hydrogen 3.257 N/A LEU 172.A N GLN 169.A O no hydrogen 2.993 N/A THR 173.A N ILE 181.A O no hydrogen 2.870 N/A THR 173.A OG1 MET 171.A O no hydrogen 2.873 N/A THR 173.A OG1 ALA 183.A O no hydrogen 3.408 N/A GLU 174.A N ILE 181.A O no hydrogen 3.208 N/A ASN 176.A N TYR 179.A O no hydrogen 2.964 N/A ASP 178.A N ASN 176.A OD1 no hydrogen 2.675 N/A TYR 179.A N ASN 176.A OD1 no hydrogen 3.023 N/A TYR 179.A OH GLU 174.A OE2 no hydrogen 2.894 N/A ILE 180.A N GLU 203.A O no hydrogen 3.104 N/A ILE 181.A N GLU 174.A O no hydrogen 2.717 N/A ARG 182.A N TRP 201.A O no hydrogen 3.082 N/A ARG 182.A NE GLU 203.A OE1 no hydrogen 2.800 N/A ARG 182.A NH1 LYS 168.A O no hydrogen 2.906 N/A ALA 183.A N MET 171.A O no hydrogen 2.846 N/A LYS 184.A N VAL 199.A O no hydrogen 2.781 N/A LYS 184.A NZ MET 91.A O no hydrogen 3.437 N/A LYS 184.A NZ SER 94.A OG no hydrogen 2.662 N/A LYS 184.A NZ THR 185.A O no hydrogen 2.874 N/A GLY 186.A N TRP 197.A O no hydrogen 2.963 N/A SER 188.A N ILE 195.A O no hydrogen 2.765 N/A ARG 190.A NH1 ASP 135.A OD2 no hydrogen 2.843 N/A LYS 194.A N GLU 192.A OE2 no hydrogen 3.405 N/A LYS 194.A NZ GLU 192.A OE1 no hydrogen 3.411 N/A ILE 195.A N SER 188.A O no hydrogen 3.012 N/A GLY 196.A N MET 215.A O no hydrogen 2.885 N/A TRP 197.A N GLY 186.A O no hydrogen 2.754 N/A TRP 197.A NE1 LEU 44.A O no hydrogen 2.689 N/A TRP 198.A N MET 213.A O no hydrogen 2.931 N/A VAL 199.A N LYS 184.A O no hydrogen 3.112 N/A GLY 200.A N PHE 211.A O no hydrogen 2.871 N/A TRP 201.A N ARG 182.A O no hydrogen 2.794 N/A TRP 201.A NE1 GLU 203.A OE1 no hydrogen 2.912 N/A VAL 202.A N TRP 209.A O no hydrogen 2.723 N/A GLU 203.A N ILE 180.A O no hydrogen 2.736 N/A LEU 204.A N ASN 207.A O no hydrogen 2.880 N/A ASN 207.A ND2 ASN 25.A OD1 no hydrogen 3.593 N/A TRP 209.A N VAL 202.A O no hydrogen 2.945 N/A PHE 210.A N TRP 24.A O no hydrogen 2.868 N/A PHE 211.A N GLY 200.A O no hydrogen 2.814 N/A ALA 212.A N VAL 22.A O no hydrogen 2.909 N/A MET 213.A N TRP 198.A O no hydrogen 2.857 N/A ASN 214.A N VAL 20.A O no hydrogen 3.012 N/A MET 215.A N GLY 196.A O no hydrogen 2.893 N/A ASP 216.A N GLN 18.A O no hydrogen 2.882 N/A MET 217.A N LYS 194.A O no hydrogen 2.809 N/A THR 219.A OG1 ASP 221.A OD2 no hydrogen 3.231 N/A ASP 221.A N THR 219.A OG1 no hydrogen 3.313 N/A GLY 222.A N THR 219.A O no hydrogen 3.249 N/A LEU 223.A N SER 220.A O no hydrogen 3.099 N/A LEU 225.A N GLY 222.A O no hydrogen 2.931 N/A ARG 226.A N LEU 223.A O no hydrogen 3.119 N/A ARG 226.A NE LEU 223.A O no hydrogen 2.801 N/A ARG 226.A NH2 GLY 186.A O no hydrogen 2.862 N/A GLN 227.A NE2 LEU 223.A O no hydrogen 3.437 N/A GLN 227.A NE2 GLY 224.A O no hydrogen 3.499 N/A ALA 228.A N GLY 224.A O no hydrogen 3.029 N/A ILE 229.A N LEU 225.A O no hydrogen 2.819 N/A THR 230.A N ARG 226.A O no hydrogen 3.288 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.633 N/A LYS 231.A N GLN 227.A O no hydrogen 2.898 N/A LYS 231.A NZ GLU 174.A OE1 no hydrogen 2.576 N/A LYS 231.A NZ GLU 174.A OE2 no hydrogen 3.425 N/A GLU 232.A N ALA 228.A O no hydrogen 2.673 N/A VAL 233.A N ILE 229.A O no hydrogen 2.897 N/A LEU 234.A N THR 230.A O no hydrogen 2.791 N/A LYS 235.A N LYS 231.A O no hydrogen 2.721 N/A GLN 236.A N GLU 232.A O no hydrogen 3.138 N/A GLN 236.A NE2 HIS 11.A NE2 no hydrogen 2.656 N/A GLU 237.A N VAL 233.A O no hydrogen 2.983 N/A LYS 238.A N LYS 235.A O no hydrogen 2.720 N/A ILE 239.A N LEU 234.A O no hydrogen 2.853 N/A