Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLU 94.A OE2 no hydrogen 3.009 N/A ARG 4.A NH2 GLU 94.A OE1 no hydrogen 2.770 N/A PHE 5.A N HIS 3.A ND1 no hydrogen 3.044 N/A VAL 6.A N HIS 3.A O no hydrogen 3.318 N/A LYS 8.A NZ GLU 11.A OE2 no hydrogen 3.024 N/A VAL 9.A N PHE 5.A O no hydrogen 2.907 N/A GLU 10.A N VAL 6.A O no hydrogen 2.936 N/A GLU 11.A N GLN 7.A O no hydrogen 3.054 N/A MET 12.A N LYS 8.A O no hydrogen 2.890 N/A VAL 13.A N VAL 9.A O no hydrogen 2.889 N/A GLN 14.A N GLU 10.A O no hydrogen 2.884 N/A ASN 15.A N GLU 11.A O no hydrogen 2.924 N/A HIS 16.A N MET 12.A O no hydrogen 3.005 N/A HIS 16.A ND1 SER 20.A OG no hydrogen 2.584 N/A HIS 16.A NE2 ASN 162.A OD1 no hydrogen 2.916 N/A MET 17.A N VAL 13.A O no hydrogen 2.910 N/A THR 18.A N GLN 14.A O no hydrogen 3.041 N/A THR 18.A N ASN 15.A O no hydrogen 3.257 N/A THR 18.A OG1 GLN 14.A O no hydrogen 3.312 N/A THR 18.A OG1 ASN 15.A O no hydrogen 3.301 N/A TYR 19.A N ASN 15.A O no hydrogen 2.698 N/A SER 20.A N HIS 16.A O no hydrogen 3.018 N/A SER 20.A OG HIS 16.A ND1 no hydrogen 2.584 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 3.019 N/A ASP 27.A N VAL 24.A O no hydrogen 3.181 N/A ASN 29.A N ASP 27.A OD1 no hydrogen 2.931 N/A TRP 30.A N ASP 27.A O no hydrogen 2.872 N/A GLN 31.A N ARG 43.A O no hydrogen 2.920 N/A VAL 33.A N VAL 41.A O no hydrogen 2.808 N/A VAL 34.A N VAL 41.A O no hydrogen 3.180 N/A GLU 36.A N MET 39.A O no hydrogen 3.017 N/A MET 39.A N GLU 36.A O no hydrogen 2.870 N/A LYS 40.A N THR 59.A O no hydrogen 2.867 N/A VAL 41.A N VAL 34.A O no hydrogen 2.849 N/A TYR 42.A N LYS 57.A O no hydrogen 2.684 N/A ARG 43.A N GLN 31.A O no hydrogen 2.899 N/A ARG 44.A N PRO 55.A O no hydrogen 3.041 N/A VAL 46.A N ASP 54.A OD1 no hydrogen 2.847 N/A GLU 48.A N ILE 51.A O no hydrogen 3.046 N/A GLY 50.A N GLU 47.A OE2 no hydrogen 2.748 N/A ILE 51.A N GLU 48.A O no hydrogen 2.916 N/A LEU 53.A N VAL 46.A O no hydrogen 2.781 N/A LEU 56.A N ALA 193.A O no hydrogen 3.008 N/A LYS 57.A N TYR 42.A O no hydrogen 2.935 N/A LYS 57.A NZ SER 20.A O no hydrogen 2.909 N/A LYS 57.A NZ GLN 22.A O no hydrogen 2.432 N/A ALA 58.A N TYR 191.A O no hydrogen 2.768 N/A THR 59.A N LYS 40.A O no hydrogen 2.839 N/A HIS 60.A N ILE 189.A O no hydrogen 3.011 N/A ALA 61.A N HIS 60.A ND1 no hydrogen 2.837 N/A VAL 62.A N CYS 187.A O no hydrogen 2.820 N/A GLY 64.A N ILE 185.A O no hydrogen 2.952 N/A THR 66.A N GLU 69.A OE1 no hydrogen 3.059 N/A THR 66.A OG1 LEU 235.A O no hydrogen 2.459 N/A GLY 67.A N THR 169.A OG1 no hydrogen 2.824 N/A HIS 68.A ND1 PHE 236.A O no hydrogen 2.789 N/A GLU 69.A N THR 66.A OG1 no hydrogen 3.019 N/A VAL 70.A N THR 66.A O no hydrogen 3.021 N/A CYS 71.A N GLY 67.A O no hydrogen 2.941 N/A CYS 71.A SG GLY 67.A O no hydrogen 3.555 N/A CYS 71.A SG MET 165.A O no hydrogen 3.797 N/A ASN 72.A N HIS 68.A O no hydrogen 2.839 N/A TYR 73.A N GLU 69.A O no hydrogen 2.993 N/A PHE 74.A N VAL 70.A O no hydrogen 2.991 N/A TRP 75.A N CYS 71.A O no hydrogen 2.938 N/A TRP 75.A NE1 SER 122.A O no hydrogen 2.925 N/A ASN 76.A N ASN 72.A O no hydrogen 2.799 N/A ASP 78.A N ASN 76.A OD1 no hydrogen 2.861 N/A VAL 79.A N ASN 76.A O no hydrogen 3.220 N/A ARG 80.A N VAL 77.A O no hydrogen 3.169 N/A ASP 82.A N VAL 79.A O no hydrogen 2.937 N/A TRP 83.A N ARG 80.A O no hydrogen 3.276 N/A GLU 84.A N ARG 80.A O no hydrogen 3.028 N/A THR 86.A N GLU 84.A OE2 no hydrogen 2.919 N/A THR 86.A OG1 GLU 84.A OE2 no hydrogen 2.926 N/A THR 86.A OG1 HIS 107.A ND1 no hydrogen 3.092 N/A GLU 88.A N THR 106.A O no hydrogen 2.745 N/A ASN 89.A N THR 106.A O no hydrogen 3.423 N/A ASN 89.A N THR 106.A OG1 no hydrogen 3.270 N/A ASN 89.A ND2 GLU 88.A OE2 no hydrogen 3.540 N/A HIS 91.A N TYR 104.A O no hydrogen 2.879 N/A VAL 93.A N ILE 102.A O no hydrogen 2.838 N/A GLU 94.A N ILE 102.A O no hydrogen 3.494 N/A LEU 96.A N ALA 100.A O no hydrogen 2.847 N/A ALA 97.A N ALA 100.A O no hydrogen 3.106 N/A ASN 99.A ND2 ILE 124.A O no hydrogen 2.833 N/A ALA 100.A N ALA 97.A O no hydrogen 3.288 N/A ILE 101.A N SER 122.A O no hydrogen 3.053 N/A ILE 102.A N GLU 94.A O no hydrogen 2.871 N/A ILE 103.A N TYR 120.A O no hydrogen 2.735 N/A TYR 104.A N HIS 91.A O no hydrogen 2.981 N/A TYR 104.A OH ASP 117.A OD2 no hydrogen 2.626 N/A GLN 105.A N VAL 118.A O no hydrogen 3.023 N/A GLN 105.A NE2 HIS 107.A NE2 no hydrogen 2.912 N/A THR 106.A N ASN 89.A O no hydrogen 2.810 N/A THR 106.A OG1 GLU 88.A OE2 no hydrogen 3.060 N/A THR 106.A OG1 ASN 89.A O no hydrogen 3.567 N/A HIS 107.A N ARG 116.A O no hydrogen 3.069 N/A HIS 107.A ND1 THR 86.A O no hydrogen 3.084 N/A HIS 107.A ND1 THR 86.A OG1 no hydrogen 3.092 N/A LYS 108.A N THR 86.A O no hydrogen 2.878 N/A LYS 108.A NZ ILE 87.A O no hydrogen 2.954 N/A VAL 110.A N LYS 108.A O no hydrogen 2.905 N/A ALA 113.A N TRP 111.A O no hydrogen 2.801 N/A GLN 115.A NE2 GLU 88.A OE1 no hydrogen 2.727 N/A GLN 115.A NE2 HIS 107.A O no hydrogen 3.011 N/A ARG 116.A NE PRO 197.A O no hydrogen 2.740 N/A ARG 116.A NH1 SER 114.A O no hydrogen 2.890 N/A ARG 116.A NH2 PRO 197.A O no hydrogen 3.119 N/A ASP 117.A N VAL 157.A O no hydrogen 3.032 N/A VAL 118.A N GLN 105.A O no hydrogen 2.971 N/A TYR 120.A N ILE 103.A O no hydrogen 2.867 N/A TYR 120.A OH GLN 105.A OE1 no hydrogen 2.714 N/A LEU 121.A N PHE 143.A O no hydrogen 2.790 N/A SER 122.A N ILE 101.A O no hydrogen 2.732 N/A VAL 123.A N CYS 141.A O no hydrogen 2.991 N/A ILE 124.A N ASN 99.A O no hydrogen 3.080 N/A ARG 125.A N ILE 139.A O no hydrogen 2.933 N/A ARG 125.A NE GLU 10.A OE2 no hydrogen 3.080 N/A ARG 125.A NH1 GLU 10.A OE1 no hydrogen 3.374 N/A ARG 125.A NH1 GLU 10.A OE2 no hydrogen 2.949 N/A LYS 126.A NZ GLU 136.A OE2 no hydrogen 3.078 N/A ILE 127.A N THR 137.A O no hydrogen 2.761 N/A THR 131.A OG1 ASP 134.A OD2 no hydrogen 2.523 N/A ASN 133.A N THR 131.A OG1 no hydrogen 3.251 N/A ASP 134.A N THR 131.A O no hydrogen 3.138 N/A THR 137.A N ILE 127.A O no hydrogen 3.009 N/A TRP 138.A N CYS 167.A O no hydrogen 2.974 N/A ILE 139.A N ARG 125.A O no hydrogen 2.968 N/A VAL 140.A N MET 165.A O no hydrogen 3.022 N/A CYS 141.A N VAL 123.A O no hydrogen 2.939 N/A CYS 141.A SG.B VAL 163.A O no hydrogen 3.836 N/A ASN 142.A N VAL 163.A O no hydrogen 2.898 N/A PHE 143.A N LEU 121.A O no hydrogen 2.971 N/A SER 144.A N ILE 161.A O no hydrogen 3.025 N/A VAL 145.A N LEU 119.A O no hydrogen 3.161 N/A HIS 147.A NE2 GLU 94.A OE1 no hydrogen 2.632 N/A SER 149.A N HIS 147.A ND1 no hydrogen 3.048 N/A ALA 150.A N HIS 147.A O no hydrogen 3.067 N/A ARG 155.A N ASN 153.A OD1 no hydrogen 3.262 N/A CYS 156.A SG GLN 115.A OE1 no hydrogen 3.974 N/A CYS 156.A SG ASN 153.A OD1 no hydrogen 3.973 N/A VAL 157.A N GLN 115.A O no hydrogen 2.977 N/A ARG 158.A NE ASP 117.A OD1 no hydrogen 2.843 N/A ARG 158.A NH1 ALA 150.A O no hydrogen 3.260 N/A ARG 158.A NH2 ASP 117.A OD2 no hydrogen 3.060 N/A ARG 158.A NH2 PRO 151.A O no hydrogen 3.027 N/A ALA 159.A N ASP 117.A O no hydrogen 2.946 N/A LYS 160.A N ASN 196.A O no hydrogen 3.066 N/A ILE 161.A N SER 144.A OG no hydrogen 2.826 N/A ASN 162.A N ASN 194.A O no hydrogen 2.926 N/A VAL 163.A N ASN 142.A O no hydrogen 2.828 N/A ALA 164.A N VAL 192.A O no hydrogen 2.876 N/A MET 165.A N VAL 140.A O no hydrogen 2.863 N/A ILE 166.A N THR 190.A O no hydrogen 2.723 N/A CYS 167.A N TRP 138.A O no hydrogen 2.827 N/A GLN 168.A N LYS 188.A O no hydrogen 2.890 N/A GLN 168.A NE2 THR 137.A OG1 no hydrogen 2.828 N/A LEU 170.A N LEU 186.A O no hydrogen 2.799 N/A SER 172.A N ASN 184.A O no hydrogen 2.807 N/A GLY 176.A N GLN 178.A OE1 no hydrogen 3.018 N/A GLN 178.A N GLN 178.A OE1 no hydrogen 3.070 N/A SER 181.A N ASN 184.A OD1 no hydrogen 2.768 N/A SER 181.A OG ASP 183.A OD2 no hydrogen 3.498 N/A SER 181.A OG ASN 184.A OD1 no hydrogen 3.497 N/A ARG 182.A NE LYS 232.A O no hydrogen 2.867 N/A ARG 182.A NH1 GLY 64.A O no hydrogen 2.853 N/A ARG 182.A NH1 GLU 69.A OE1 no hydrogen 2.923 N/A ARG 182.A NH1 GLU 69.A OE2 no hydrogen 3.565 N/A ARG 182.A NH2 GLU 69.A OE2 no hydrogen 2.924 N/A ARG 182.A NH2 LYS 232.A O no hydrogen 2.998 N/A ARG 182.A NH2 PRO 233.A O no hydrogen 3.024 N/A ASP 183.A N SER 181.A OG no hydrogen 3.055 N/A ASN 184.A N SER 181.A O no hydrogen 2.993 N/A ILE 185.A N ARG 182.A O no hydrogen 3.506 N/A LEU 186.A N LEU 170.A O no hydrogen 2.983 N/A CYS 187.A N VAL 62.A O no hydrogen 2.857 N/A CYS 187.A SG LYS 188.A O no hydrogen 4.008 N/A LYS 188.A N GLN 168.A O no hydrogen 2.820 N/A ILE 189.A N HIS 60.A O no hydrogen 2.972 N/A THR 190.A N ILE 166.A O no hydrogen 2.839 N/A TYR 191.A N ALA 58.A O no hydrogen 2.827 N/A VAL 192.A N ALA 164.A O no hydrogen 2.863 N/A ALA 193.A N LEU 56.A O no hydrogen 2.936 N/A ASN 194.A N ASN 162.A O no hydrogen 2.878 N/A ASN 196.A N LYS 160.A O no hydrogen 2.810 N/A GLY 198.A N ASN 196.A OD1 no hydrogen 2.890 N/A LEU 206.A N PRO 202.A O no hydrogen 3.154 N/A ARG 207.A N ALA 203.A O no hydrogen 2.808 N/A ARG 207.A NE ASP 54.A OD2 no hydrogen 2.535 N/A ARG 207.A NH2 ASP 54.A OD1 no hydrogen 2.944 N/A ALA 208.A N SER 204.A O no hydrogen 3.070 N/A VAL 209.A N VAL 205.A O no hydrogen 2.841 N/A ALA 210.A N LEU 206.A O no hydrogen 2.990 N/A LYS 211.A N ARG 207.A O no hydrogen 3.023 N/A ARG 212.A N ALA 208.A O no hydrogen 3.012 N/A ARG 212.A NH1 GLU 213.A OE2 no hydrogen 3.010 N/A GLU 213.A N VAL 209.A O no hydrogen 2.879 N/A TYR 214.A N ALA 210.A O no hydrogen 3.086 N/A LYS 216.A N ARG 212.A O no hydrogen 3.356 N/A LYS 216.A NZ GLU 213.A OE2 no hydrogen 2.791 N/A PHE 217.A N GLU 213.A O no hydrogen 2.992 N/A LEU 218.A N TYR 214.A O no hydrogen 2.853 N/A LYS 219.A N PRO 215.A O no hydrogen 3.007 N/A LYS 219.A NZ GLU 36.A OE2 no hydrogen 3.375 N/A ARG 220.A N LYS 216.A O no hydrogen 3.040 N/A ARG 220.A NE TRP 83.A O no hydrogen 3.033 N/A PHE 221.A N PHE 217.A O no hydrogen 2.745 N/A THR 222.A N LEU 218.A O no hydrogen 2.975 N/A THR 222.A OG1 LEU 218.A O no hydrogen 2.669 N/A THR 222.A OG1 LYS 219.A O no hydrogen 3.396 N/A SER 223.A N LYS 219.A O no hydrogen 2.996 N/A SER 223.A OG LYS 219.A O no hydrogen 2.884 N/A TYR 224.A N ARG 220.A O no hydrogen 2.863 N/A TYR 224.A OH ASP 82.A OD2 no hydrogen 2.570 N/A VAL 225.A N PHE 221.A O no hydrogen 3.026 N/A GLN 226.A N THR 222.A O no hydrogen 2.997 N/A GLU 227.A N SER 223.A O no hydrogen 2.903 N/A LYS 228.A N TYR 224.A O no hydrogen 2.841 N/A THR 229.A N VAL 225.A O no hydrogen 2.997 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.857 N/A THR 229.A OG1 GLN 226.A O no hydrogen 3.489 N/A LYS 232.A N THR 229.A O no hydrogen 3.032 N/A LYS 232.A NZ LYS 228.A O no hydrogen 3.067 N/A LEU 235.A N GLU 69.A OE2 no hydrogen 2.818 N/A