Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 12.A O no hydrogen 2.763 N/A ASN 5.A N ILE 10.A O no hydrogen 2.530 N/A SER 11.A N THR 23.A O no hydrogen 2.909 N/A ILE 12.A N ILE 3.A O no hydrogen 2.857 N/A SER 13.A N VAL 21.A O no hydrogen 2.956 N/A GLN 14.A N THR 1.A O no hydrogen 2.784 N/A GLN 14.A NE2 THR 1.A OG1 no hydrogen 3.279 N/A LEU 15.A N VAL 19.A O no hydrogen 2.857 N/A ASN 16.A N VAL 19.A O no hydrogen 3.051 N/A ASN 18.A N ASN 16.A OD1 no hydrogen 2.836 N/A ASN 18.A ND2 LYS 17.A O no hydrogen 3.247 N/A TRP 20.A N VAL 39.A O no hydrogen 2.959 N/A VAL 21.A N SER 13.A O no hydrogen 2.791 N/A HIS 22.A N GLY 37.A O no hydrogen 2.906 N/A HIS 22.A ND1 GLU 24.A OE2 no hydrogen 2.413 N/A HIS 22.A NE2 ASP 50.A O no hydrogen 3.032 N/A THR 23.A N SER 11.A O no hydrogen 2.843 N/A THR 23.A OG1 ASN 36.A OD1 no hydrogen 2.800 N/A GLU 24.A N SER 35.A O no hydrogen 2.877 N/A LEU 25.A N THR 9.A O no hydrogen 2.828 N/A GLY 26.A N VAL 33.A O no hydrogen 2.684 N/A PHE 28.A N GLU 31.A O no hydrogen 2.829 N/A GLU 31.A N PHE 28.A O no hydrogen 2.910 N/A VAL 33.A N GLY 26.A O no hydrogen 2.791 N/A SER 35.A N GLU 24.A O no hydrogen 2.926 N/A SER 35.A OG ASP 84.A O no hydrogen 3.537 N/A ASN 36.A N GLY 203.A O no hydrogen 2.819 N/A ASN 36.A ND2 PRO 202.A O no hydrogen 2.995 N/A ASN 36.A ND2 GLY 205.A O no hydrogen 2.844 N/A GLY 37.A N HIS 22.A O no hydrogen 2.760 N/A LEU 38.A N VAL 49.A O no hydrogen 2.990 N/A VAL 39.A N TRP 20.A O no hydrogen 2.748 N/A LEU 40.A N VAL 47.A O no hydrogen 2.722 N/A ASN 41.A N ASN 18.A O no hydrogen 2.792 N/A THR 42.A N GLY 45.A O no hydrogen 3.186 N/A THR 42.A OG1 GLY 45.A O no hydrogen 2.777 N/A LYS 44.A N THR 42.A OG1 no hydrogen 3.012 N/A GLY 45.A N THR 42.A O no hydrogen 3.363 N/A LEU 46.A N ARG 72.A O no hydrogen 2.724 N/A VAL 47.A N LEU 40.A O no hydrogen 2.922 N/A LEU 48.A N ASP 75.A O no hydrogen 2.956 N/A VAL 49.A N LEU 38.A O no hydrogen 2.967 N/A ASP 50.A N ILE 77.A O no hydrogen 2.754 N/A SER 51.A N ARG 85.A O no hydrogen 3.038 N/A SER 51.A OG SER 52.A O no hydrogen 3.509 N/A SER 51.A OG ARG 85.A O no hydrogen 2.695 N/A SER 52.A OG GLU 24.A OE1 no hydrogen 2.718 N/A TRP 53.A N SER 52.A OG no hydrogen 2.760 N/A LEU 57.A N ASP 54.A OD1 no hydrogen 2.906 N/A THR 58.A N ASP 54.A O no hydrogen 3.151 N/A THR 58.A OG1 ASP 54.A O no hydrogen 2.877 N/A LYS 59.A N ASP 55.A O no hydrogen 2.928 N/A GLU 60.A N LYS 56.A O no hydrogen 3.247 N/A LEU 61.A N LEU 57.A O no hydrogen 2.844 N/A ILE 62.A N THR 58.A O no hydrogen 2.955 N/A GLU 63.A N LYS 59.A O no hydrogen 2.853 N/A MET 64.A N GLU 60.A O no hydrogen 2.877 N/A VAL 65.A N LEU 61.A O no hydrogen 3.286 N/A GLU 66.A N ILE 62.A O no hydrogen 2.953 N/A LYS 67.A N GLU 63.A O no hydrogen 3.168 N/A LYS 68.A N MET 64.A O no hydrogen 2.879 N/A PHE 69.A N VAL 65.A O no hydrogen 2.822 N/A GLN 70.A NE2 LYS 67.A O no hydrogen 2.937 N/A LYS 71.A NZ ASN 41.A OD1 no hydrogen 2.444 N/A LYS 71.A NZ THR 42.A O no hydrogen 3.346 N/A ARG 72.A NH2 GLU 66.A OE1 no hydrogen 2.781 N/A VAL 73.A N GLU 66.A OE2 no hydrogen 2.799 N/A THR 74.A N LEU 46.A O no hydrogen 3.025 N/A THR 74.A OG1 LEU 46.A O no hydrogen 3.394 N/A THR 74.A OG1 ASP 75.A OD1 no hydrogen 2.614 N/A VAL 76.A N LYS 98.A O no hydrogen 2.892 N/A ILE 77.A N LEU 48.A O no hydrogen 2.855 N/A ILE 78.A N HIS 100.A O no hydrogen 2.807 N/A THR 79.A N ASP 50.A OD2 no hydrogen 2.833 N/A THR 79.A OG1 ASP 50.A OD1 no hydrogen 2.532 N/A THR 79.A OG1 ASP 50.A OD2 no hydrogen 3.253 N/A ALA 81.A N ASP 146.A OD2 no hydrogen 3.227 N/A HIS 82.A NE2 ASP 177.A OD2 no hydrogen 2.930 N/A ARG 85.A N HIS 82.A O no hydrogen 3.042 N/A ARG 85.A NE ASP 84.A OD2 no hydrogen 2.823 N/A ARG 85.A NH1 ASN 36.A O no hydrogen 3.074 N/A ARG 85.A NH1 ASP 84.A OD2 no hydrogen 2.924 N/A ARG 85.A NH2 ASN 36.A O no hydrogen 2.748 N/A ARG 85.A NH2 ASP 50.A OD1 no hydrogen 2.895 N/A ILE 86.A N HIS 82.A O no hydrogen 3.047 N/A GLY 87.A N ALA 83.A O no hydrogen 2.877 N/A GLY 88.A N SER 51.A OG no hydrogen 3.190 N/A ILE 89.A N ILE 86.A O no hydrogen 2.954 N/A THR 91.A N ASP 55.A OD1 no hydrogen 3.082 N/A THR 91.A OG1 ASP 55.A OD1 no hydrogen 2.697 N/A LEU 92.A N GLY 88.A O no hydrogen 2.998 N/A LYS 93.A N ILE 89.A O no hydrogen 2.985 N/A LYS 93.A NZ GLU 116.A O no hydrogen 2.708 N/A GLU 94.A N LYS 90.A O no hydrogen 3.107 N/A ARG 95.A N THR 91.A O no hydrogen 3.112 N/A ARG 95.A NH1 GLU 63.A OE2 no hydrogen 3.566 N/A ARG 95.A NH2 GLU 63.A OE2 no hydrogen 2.996 N/A GLY 96.A N LYS 93.A O no hydrogen 3.211 N/A ILE 97.A N LEU 92.A O no hydrogen 2.954 N/A LYS 98.A N THR 74.A O no hydrogen 2.955 N/A LYS 98.A NZ ASP 75.A OD1 no hydrogen 3.497 N/A HIS 100.A N VAL 76.A O no hydrogen 2.699 N/A HIS 100.A ND1 ASP 120.A OD2 no hydrogen 2.596 N/A HIS 100.A NE2 ASP 75.A OD2 no hydrogen 2.698 N/A SER 101.A N ASP 120.A OD1 no hydrogen 3.117 N/A SER 101.A OG THR 102.A O no hydrogen 2.820 N/A THR 102.A OG1 THR 105.A OG1 no hydrogen 3.030 N/A THR 105.A N THR 102.A OG1 no hydrogen 3.159 N/A THR 105.A OG1 THR 102.A OG1 no hydrogen 3.030 N/A THR 105.A OG1 ASP 146.A OD2 no hydrogen 2.834 N/A ALA 106.A N THR 102.A O no hydrogen 3.116 N/A GLU 107.A N ALA 103.A O no hydrogen 2.788 N/A LEU 108.A N LEU 104.A O no hydrogen 2.910 N/A ALA 109.A N THR 105.A O no hydrogen 2.933 N/A LYS 110.A N ALA 106.A O no hydrogen 2.968 N/A LYS 111.A N GLU 107.A O no hydrogen 2.995 N/A LYS 111.A N LEU 108.A O no hydrogen 3.053 N/A ASN 112.A N LEU 108.A O no hydrogen 3.021 N/A GLY 113.A N LYS 110.A O no hydrogen 3.140 N/A TYR 114.A N ALA 109.A O no hydrogen 2.917 N/A LEU 118.A N ALA 99.A O no hydrogen 2.808 N/A GLY 119.A N SER 101.A OG no hydrogen 3.178 N/A LEU 121.A N SER 101.A O no hydrogen 2.839 N/A GLN 122.A N THR 125.A OG1 no hydrogen 2.806 N/A GLN 122.A NE2 ASP 120.A O no hydrogen 3.639 N/A THR 125.A N THR 136.A O no hydrogen 3.070 N/A ASN 126.A ND2 GLU 135.A OE1 no hydrogen 3.022 N/A LEU 127.A N VAL 134.A O no hydrogen 2.901 N/A PHE 129.A N MET 132.A O no hydrogen 2.696 N/A MET 132.A N PHE 129.A O no hydrogen 2.832 N/A LYS 133.A N GLN 154.A OE1 no hydrogen 2.985 N/A VAL 134.A N LEU 127.A O no hydrogen 2.996 N/A GLU 135.A N TRP 151.A O no hydrogen 2.776 N/A THR 136.A N THR 125.A O no hydrogen 2.883 N/A PHE 137.A N VAL 149.A O no hydrogen 3.028 N/A TYR 138.A N THR 123.A O no hydrogen 2.817 N/A TYR 138.A OH GLU 145.A O.A no hydrogen 2.723 N/A TYR 138.A OH GLU 145.A O.B no hydrogen 2.707 N/A GLY 142.A N THR 144.A O no hydrogen 2.941 N/A THR 144.A N ASN 147.A OD1 no hydrogen 3.147 N/A THR 144.A OG1 ASP 146.A OD1 no hydrogen 2.749 N/A ASN 147.A ND2 GLY 140.A O no hydrogen 2.913 N/A ASN 147.A ND2 ASN 147.A O no hydrogen 2.731 N/A ILE 148.A N THR 79.A O no hydrogen 2.981 N/A VAL 149.A N PHE 137.A O no hydrogen 2.974 N/A VAL 150.A N VAL 159.A O no hydrogen 3.151 N/A TRP 151.A N GLU 135.A O no hydrogen 2.733 N/A LEU 152.A N ILE 157.A O no hydrogen 3.002 N/A GLN 154.A NE2 ASN 131.A O no hydrogen 2.886 N/A TYR 155.A N LEU 152.A O no hydrogen 3.057 N/A ASN 156.A ND2 ASN 196.A O no hydrogen 3.049 N/A ILE 157.A N LEU 152.A O no hydrogen 3.400 N/A LEU 158.A N ALA 199.A O no hydrogen 2.983 N/A VAL 159.A N VAL 150.A O no hydrogen 2.728 N/A GLY 161.A N VAL 201.A O no hydrogen 3.343 N/A CYS 162.A SG ASP 84.A OD2 no hydrogen 3.549 N/A CYS 162.A SG HIS 204.A NE2 no hydrogen 3.510 N/A VAL 164.A N GLY 161.A O no hydrogen 3.029 N/A LYS 165.A N THR 216.A OG1 no hydrogen 2.963 N/A LYS 165.A NZ LEU 172.A O no hydrogen 2.652 N/A SER 166.A OG SER 168.A OG no hydrogen 2.736 N/A SER 166.A OG HIS 204.A O no hydrogen 3.205 N/A SER 168.A OG SER 166.A OG no hydrogen 2.736 N/A ALA 169.A N SER 166.A O no hydrogen 3.022 N/A LYS 170.A NZ THR 167.A O no hydrogen 2.939 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 2.762 N/A ALA 178.A N VAL 175.A O no hydrogen 3.102 N/A TYR 179.A N GLY 142.A O no hydrogen 2.767 N/A TYR 179.A OH GLU 145.A OE1.B no hydrogen 3.404 N/A GLU 182.A N TYR 179.A O no hydrogen 3.074 N/A TRP 183.A NE1 LEU 163.A O no hydrogen 2.843 N/A SER 186.A N GLU 182.A O no hydrogen 2.912 N/A SER 186.A OG PRO 139.A O no hydrogen 3.439 N/A SER 186.A OG LYS 141.A O no hydrogen 2.645 N/A SER 186.A OG GLU 182.A O no hydrogen 3.207 N/A ILE 187.A N TRP 183.A O no hydrogen 2.967 N/A GLU 188.A N SER 184.A O no hydrogen 2.856 N/A ASN 189.A N THR 185.A O no hydrogen 2.918 N/A ASN 189.A ND2 PRO 139.A O no hydrogen 2.954 N/A VAL 190.A N SER 186.A O no hydrogen 3.085 N/A LEU 191.A N ILE 187.A O no hydrogen 2.938 N/A LYS 192.A N GLU 188.A O no hydrogen 2.801 N/A ARG 193.A N ASN 189.A O no hydrogen 3.081 N/A ARG 193.A N VAL 190.A O no hydrogen 3.190 N/A ARG 193.A NE GLU 135.A OE2 no hydrogen 2.974 N/A ARG 193.A NE TYR 194.A OH no hydrogen 3.393 N/A ARG 193.A NH2 GLU 135.A OE1 no hydrogen 3.229 N/A ARG 193.A NH2 GLU 135.A OE2 no hydrogen 3.259 N/A TYR 194.A N VAL 190.A O no hydrogen 2.979 N/A TYR 194.A OH GLU 135.A OE2 no hydrogen 2.696 N/A ASN 198.A N ASN 156.A O no hydrogen 2.741 N/A ASN 198.A ND2 TYR 155.A O no hydrogen 3.241 N/A VAL 200.A N GLY 208.A O no hydrogen 2.831 N/A VAL 201.A N LEU 158.A O no hydrogen 2.761 N/A GLY 203.A N GLY 161.A O no hydrogen 2.888 N/A HIS 204.A ND1 PRO 34.A O no hydrogen 2.912 N/A GLY 208.A N VAL 200.A O no hydrogen 3.010 N/A GLY 211.A N ASP 209.A OD1 no hydrogen 2.740 N/A LEU 212.A N ASP 209.A O no hydrogen 2.710 N/A LEU 213.A N LYS 210.A O no hydrogen 2.963 N/A LEU 214.A N LYS 210.A O no hydrogen 3.378 N/A HIS 215.A N GLY 211.A O no hydrogen 2.819 N/A HIS 215.A NE2 ALA 169.A O no hydrogen 2.706 N/A THR 216.A N LEU 212.A O no hydrogen 2.975 N/A THR 216.A OG1 LEU 212.A O no hydrogen 2.828 N/A LEU 217.A N LEU 213.A O no hydrogen 3.048 N/A ASP 218.A N LEU 214.A O no hydrogen 2.964 N/A LEU 219.A N HIS 215.A O no hydrogen 2.967 N/A LEU 220.A N THR 216.A O no hydrogen 3.180 N/A LEU 220.A N LEU 217.A O no hydrogen 3.188 N/A LYS 221.A N ASP 218.A O no hydrogen 3.033 N/A LYS 221.A NZ ASP 218.A OD1 no hydrogen 3.468 N/A