Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5pak_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLN 134.A O no hydrogen 2.881 N/A ILE 1.A N ASP 187.A OD1 no hydrogen 3.526 N/A ILE 1.A N ASP 187.A OD2 no hydrogen 2.696 N/A VAL 2.A N ASP 182.A O no hydrogen 2.802 N/A LYS 5.A N VAL 147.A O no hydrogen 2.998 N/A CYS 7.A N LEU 145.A O no hydrogen 2.750 N/A CYS 7.A SG PRO 8.A O no hydrogen 3.795 N/A LYS 9.A NZ ASP 65.A OD1 no hydrogen 3.559 N/A LYS 9.A NZ ASP 65.A OD2 no hydrogen 2.753 N/A LYS 9.A NZ ASP 67.A OD2 no hydrogen 2.804 N/A GLU 11.A N PRO 8.A O no hydrogen 2.873 N/A CYS 12.A SG.B SER 130.A OG no hydrogen 3.457 N/A GLN 15.A N CYS 12.A O no hydrogen 3.092 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.029 N/A VAL 16.A N GLY 28.A O no hydrogen 2.879 N/A LEU 17.A N VAL 55.A O no hydrogen 3.040 N/A LEU 18.A N CYS 26.A O no hydrogen 2.867 N/A LEU 19.A N ILE 53.A O no hydrogen 2.835 N/A VAL 20.A N ALA 23.A O no hydrogen 2.898 N/A ASN 21.A N ASN 51.A O no hydrogen 3.255 N/A ASN 21.A ND2 ASN 51.A OD1 no hydrogen 3.048 N/A ALA 23.A N VAL 20.A O no hydrogen 3.042 N/A GLN 24.A NE2 TRP 132.A O no hydrogen 2.800 N/A LEU 25.A N LEU 18.A O no hydrogen 2.867 N/A CYS 26.A N LEU 18.A O no hydrogen 3.476 N/A CYS 26.A SG.A LEU 25.A O no hydrogen 3.059 N/A CYS 26.A SG.B GLY 27.A O no hydrogen 3.652 N/A GLY 27.A N SER 188.A O no hydrogen 2.770 N/A GLY 28.A N VAL 16.A O no hydrogen 3.040 N/A THR 29.A N VAL 37.A O no hydrogen 2.821 N/A LEU 30.A N TRP 14.A O no hydrogen 2.898 N/A ILE 31.A N TRP 35.A O no hydrogen 3.008 N/A THR 33.A N ASN 32.A OD1.B no hydrogen 2.761 N/A ILE 34.A N ASN 32.A OD1.A no hydrogen 3.154 N/A VAL 36.A N LEU 94.A O no hydrogen 2.903 N/A VAL 37.A N THR 29.A O no hydrogen 2.813 N/A SER 38.A N ALA 92.A O no hydrogen 2.861 N/A SER 38.A OG GLY 27.A O no hydrogen 2.808 N/A HIS 41.A N ASP 90.A OD1 no hydrogen 2.807 N/A HIS 41.A ND1 ASP 90.A OD2 no hydrogen 2.648 N/A CYS 42.A N ALA 39.A O no hydrogen 3.194 N/A CYS 42.A SG SER 188.A O no hydrogen 3.838 N/A PHE 43.A N ALA 40.A O no hydrogen 3.021 N/A ASP 44.A N HIS 41.A O no hydrogen 3.362 N/A ARG 50.A N ASN 48.A OD1 no hydrogen 3.079 N/A ASN 51.A N ASN 48.A O no hydrogen 3.233 N/A ILE 53.A N LEU 19.A O no hydrogen 2.890 N/A ALA 54.A N ARG 71.A O no hydrogen 2.862 N/A VAL 55.A N LEU 17.A O no hydrogen 2.784 N/A LEU 56.A N GLN 69.A O no hydrogen 2.782 N/A HIS 59.A N GLU 58.A OE1 no hydrogen 2.876 N/A HIS 59.A NE2 GLU 144.A OE2 no hydrogen 2.977 N/A LEU 61.A N LEU 143.A O no hydrogen 2.814 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.773 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.581 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 3.400 N/A GLU 63.A N ASP 60.A O no hydrogen 3.447 N/A ASP 65.A N GLU 68.A OE1 no hydrogen 3.313 N/A ASP 65.A N GLU 68.A OE2 no hydrogen 3.078 N/A GLY 66.A N GLU 68.A OE1 no hydrogen 2.909 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 3.104 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.830 N/A GLN 69.A N LEU 56.A O no hydrogen 2.772 N/A GLN 69.A NE2 VAL 101.A O no hydrogen 2.848 N/A ARG 71.A N ALA 54.A O no hydrogen 2.824 N/A ARG 71.A NE GLN 98.A O no hydrogen 3.301 N/A ARG 71.A NE PRO 99.A O no hydrogen 2.980 N/A ARG 71.A NH1 SER 70.A O no hydrogen 2.921 N/A ARG 71.A NH2 PRO 99.A O no hydrogen 3.019 N/A ARG 72.A N HIS 97.A ND1.B no hydrogen 3.009 N/A VAL 73.A N LEU 52.A O no hydrogen 3.306 N/A ALA 74.A N ARG 95.A O no hydrogen 2.752 N/A GLN 75.A N ARG 95.A O no hydrogen 3.321 N/A GLN 75.A NE2 ARG 240.A O no hydrogen 3.190 N/A GLN 75.A NE2 VAL 243.A O no hydrogen 3.165 N/A VAL 76.A N VAL 243.A O no hydrogen 2.881 N/A ILE 77.A N LEU 93.A O no hydrogen 2.779 N/A ILE 78.A N LEU 245.A O no hydrogen 2.920 N/A SER 80.A N ALA 247.A O no hydrogen 2.801 N/A TYR 82.A N PRO 79.A O no hydrogen 3.145 N/A TYR 82.A OH ASP 44.A OD1 no hydrogen 2.658 N/A TYR 82.A OH ASP 44.A OD2 no hydrogen 3.086 N/A GLY 85.A N ASP 44.A OD2 no hydrogen 2.952 N/A THR 86.A N VAL 83.A O no hydrogen 3.112 N/A THR 86.A OG1 VAL 83.A O no hydrogen 2.617 N/A HIS 89.A ND1 TYR 227.A OH no hydrogen 2.689 N/A ILE 91.A N HIS 89.A O no hydrogen 3.010 N/A ALA 92.A N SER 38.A O no hydrogen 2.932 N/A LEU 93.A N ILE 77.A O no hydrogen 2.891 N/A LEU 94.A N VAL 36.A O no hydrogen 2.764 N/A ARG 95.A N GLN 75.A O no hydrogen 2.903 N/A ARG 95.A NH1.A SER 237.A O no hydrogen 3.560 N/A ARG 95.A NH2.A SER 237.A O no hydrogen 3.086 N/A LEU 96.A N ILE 34.A O no hydrogen 2.788 N/A HIS 97.A N ARG 72.A O no hydrogen 2.856 N/A VAL 100.A N THR 33.A O no hydrogen 2.934 N/A VAL 101.A N GLN 69.A OE1 no hydrogen 2.850 N/A THR 103.A N VAL 106.A O no hydrogen 3.009 N/A HIS 105.A N THR 103.A OG1 no hydrogen 3.026 N/A VAL 106.A N THR 103.A O no hydrogen 3.154 N/A VAL 107.A N PRO 13.A O no hydrogen 3.167 N/A LEU 109.A N LEU 30.A O no hydrogen 2.790 N/A CYS 110.A SG TRP 200.A O no hydrogen 3.714 N/A ARG 114.A NE.A GLU 229.A OE2.A no hydrogen 3.182 N/A ARG 114.A NE.B GLU 118.A OE2 no hydrogen 2.862 N/A ARG 114.A NH1.A GLU 118.A OE1 no hydrogen 3.089 N/A ARG 114.A NH1.B GLU 229.A OE1.B no hydrogen 2.993 N/A ARG 114.A NH1.B GLU 229.A OE2.B no hydrogen 2.660 N/A SER 117.A N GLU 113.A O no hydrogen 2.979 N/A GLU 118.A N ARG 114.A O no hydrogen 2.866 N/A ARG 119.A N THR 115.A O no hydrogen 2.823 N/A THR 120.A N PHE 116.A O no hydrogen 2.927 N/A LEU 121.A N PHE 116.A O no hydrogen 3.119 N/A ALA 122.A N SER 117.A O no hydrogen 2.883 N/A PHE 123.A N THR 120.A O no hydrogen 3.181 N/A VAL 124.A N LEU 121.A O no hydrogen 3.088 N/A SER 127.A N VAL 150.A O no hydrogen 2.967 N/A SER 127.A OG THR 194.A OG1 no hydrogen 2.628 N/A LEU 128.A N ALA 193.A O no hydrogen 2.911 N/A VAL 129.A N LEU 148.A O no hydrogen 2.892 N/A SER 130.A OG GLN 15.A OE1 no hydrogen 2.637 N/A GLY 131.A N MET 146.A O no hydrogen 3.006 N/A TRP 132.A NE1 HIS 59.A O no hydrogen 3.037 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.737 N/A GLN 134.A N GLN 134.A OE1.A no hydrogen 2.828 N/A GLN 134.A NE2.B GLY 139.A O no hydrogen 2.750 N/A LEU 135.A N ALA 140.A O no hydrogen 3.092 N/A GLY 139.A N LEU 136.A O no hydrogen 2.968 N/A ALA 142.A N GLY 133.A O no hydrogen 3.129 N/A LEU 145.A N HIS 59.A O no hydrogen 3.094 N/A MET 146.A N GLY 131.A O no hydrogen 3.128 N/A VAL 147.A N LYS 5.A O no hydrogen 2.785 N/A LEU 148.A N VAL 129.A O no hydrogen 2.845 N/A ASN 149.A ND2 SER 127.A O no hydrogen 3.105 N/A VAL 150.A N SER 127.A O no hydrogen 2.857 N/A ARG 152.A N ARG 125.A O no hydrogen 2.831 N/A LEU 153.A N CYS 173.A O no hydrogen 2.956 N/A CYS 158.A N MET 154.A O no hydrogen 2.923 N/A LEU 159.A N THR 155.A O no hydrogen 2.972 N/A GLN 160.A N GLN 156.A O no hydrogen 3.116 N/A GLN 161.A N ASP 157.A O no hydrogen 2.775 N/A SER 162.A OG CYS 158.A O no hydrogen 2.652 N/A ARG 163.A N GLY 216.A O no hydrogen 2.838 N/A THR 168.A OG1 ASN 88.A OD1 no hydrogen 2.651 N/A TYR 170.A N THR 168.A OG1 no hydrogen 3.097 N/A MET 171.A N THR 168.A O no hydrogen 3.150 N/A PHE 172.A N TYR 221.A O no hydrogen 2.861 N/A ALA 174.A N GLY 219.A O no hydrogen 3.008 N/A GLY 175.A N PRO 151.A O no hydrogen 2.901 N/A SER 180.A N ASP 178.A OD1 no hydrogen 3.127 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.550 N/A SER 180.A OG ASP 178.A OD2 no hydrogen 3.477 N/A LYS 181.A NZ SER 180.A OG no hydrogen 2.825 N/A ASP 182.A N VAL 2.A O no hydrogen 3.091 N/A SER 183.A OG TYR 221.A OH no hydrogen 2.938 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.882 N/A CYS 184.A SG.A GLN 134.A OE1.A no hydrogen 3.574 N/A CYS 184.A SG.A GLN 134.A OE1.B no hydrogen 3.410 N/A CYS 184.A SG.B GLN 134.A O no hydrogen 3.312 N/A GLY 186.A N.A GLN 134.A OE1.A no hydrogen 2.748 N/A ASP 187.A N CYS 184.A O no hydrogen 2.981 N/A SER 188.A N LYS 185.A O.A no hydrogen 3.133 N/A SER 188.A OG HIS 41.A NE2 no hydrogen 3.002 N/A SER 188.A OG LYS 185.A O.A no hydrogen 2.835 N/A GLY 189.A N VAL 206.A O no hydrogen 2.919 N/A GLY 190.A N ASP 187.A O no hydrogen 3.022 N/A HIS 192.A N GLY 204.A O no hydrogen 2.921 N/A HIS 192.A ND1 THR 203.A OG1 no hydrogen 2.722 N/A ALA 193.A N LEU 128.A O no hydrogen 2.809 N/A THR 194.A N TYR 201.A O no hydrogen 2.855 N/A THR 194.A OG1 SER 127.A OG no hydrogen 2.628 N/A THR 194.A OG1 THR 203.A OG1 no hydrogen 2.608 N/A TYR 196.A N THR 199.A O no hydrogen 2.860 N/A ARG 197.A NE.A TYR 196.A OH no hydrogen 2.983 N/A ARG 197.A NH2.A TYR 196.A OH no hydrogen 2.954 N/A GLY 198.A N HIS 195.A NE2 no hydrogen 3.195 N/A THR 199.A N TYR 196.A O no hydrogen 3.238 N/A TYR 201.A N THR 194.A O no hydrogen 2.894 N/A LEU 202.A N CYS 110.A O no hydrogen 2.932 N/A THR 203.A N HIS 192.A O no hydrogen 3.021 N/A THR 203.A OG1 HIS 192.A ND1 no hydrogen 2.722 N/A THR 203.A OG1 HIS 192.A O no hydrogen 3.077 N/A THR 203.A OG1 THR 194.A OG1 no hydrogen 2.608 N/A GLY 204.A N HIS 192.A O no hydrogen 3.147 N/A ILE 205.A N THR 222.A O no hydrogen 3.357 N/A VAL 206.A N GLY 190.A O no hydrogen 3.042 N/A SER 207.A OG ASP 90.A OD2 no hydrogen 2.711 N/A TRP 208.A N VAL 220.A O no hydrogen 3.030 N/A CYS 212.A SG.B SER 183.A O no hydrogen 2.710 N/A ALA 213.A N ASP 182.A OD2 no hydrogen 2.894 N/A THR 214.A OG1 GLN 210.A O no hydrogen 2.562 N/A GLY 216.A N SER 177.A O no hydrogen 2.752 N/A HIS 217.A N THR 214.A O no hydrogen 3.161 N/A GLY 219.A N ALA 174.A O no hydrogen 3.084 N/A VAL 220.A N TRP 208.A O no hydrogen 2.851 N/A TYR 221.A N PHE 172.A O no hydrogen 2.802 N/A TYR 221.A OH SER 183.A OG no hydrogen 2.938 N/A THR 222.A N ILE 205.A O no hydrogen 3.035 N/A THR 222.A OG1 ASP 90.A O no hydrogen 2.680 N/A ARG 223.A N TYR 170.A O no hydrogen 2.893 N/A ARG 223.A NE MET 171.A O no hydrogen 2.979 N/A ARG 223.A NH2 MET 171.A O no hydrogen 2.925 N/A VAL 224.A N THR 203.A O no hydrogen 3.281 N/A GLN 226.A N ARG 223.A O no hydrogen 3.111 N/A GLN 226.A NE2 GLU 169.A O no hydrogen 2.955 N/A TYR 227.A N VAL 224.A O no hydrogen 2.893 N/A TYR 227.A OH HIS 89.A ND1 no hydrogen 2.689 N/A GLU 229.A N.B GLU 229.A OE1.B no hydrogen 2.741 N/A LEU 231.A N TYR 227.A O no hydrogen 2.878 N/A GLN 232.A N ILE 228.A O no hydrogen 2.867 N/A LYS 233.A N GLU 229.A O.A no hydrogen 3.009 N/A LYS 233.A N GLU 229.A O.B no hydrogen 2.957 N/A LEU 234.A N TRP 230.A O no hydrogen 3.190 N/A MET 235.A N LEU 231.A O no hydrogen 3.000 N/A ARG 236.A N LYS 233.A O no hydrogen 3.167 N/A SER 237.A N LEU 234.A O no hydrogen 3.007 N/A SER 237.A OG LEU 234.A O no hydrogen 2.630 N/A ARG 240.A N GLN 75.A OE1 no hydrogen 3.094 N/A LEU 245.A N VAL 76.A O no hydrogen 2.891 N/A ARG 246.A NH2 SER 80.A O no hydrogen 3.047 N/A ALA 247.A N ILE 78.A O no hydrogen 2.945 N/A PHE 249.A N SER 80.A OG no hydrogen 3.015 N/A