Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s16_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N GLU 2.A OE1 no hydrogen 3.105 N/A GLN 5.A N SER 21.A O no hydrogen 2.764 N/A GLN 5.A NE2 GLU 1.A O no hydrogen 3.274 N/A GLN 5.A NE2 GLU 2.A O no hydrogen 3.541 N/A GLN 5.A NE2 GLY 3.A O no hydrogen 3.090 N/A LYS 7.A N ILE 19.A O no hydrogen 3.169 N/A ARG 9.A N ASP 17.A O no hydrogen 2.728 N/A ARG 9.A NH1 ASN 204.A OD1 no hydrogen 2.901 N/A ARG 9.A NH2 ASN 204.A OD1 no hydrogen 3.445 N/A SER 12.A N ASN 15.A O no hydrogen 3.174 N/A SER 12.A OG ASN 15.A O no hydrogen 2.704 N/A ASN 15.A N SER 12.A OG no hydrogen 3.040 N/A VAL 16.A N VAL 230.A O no hydrogen 2.893 N/A ASP 17.A N GLU 10.A O no hydrogen 2.982 N/A PHE 18.A N MET 228.A O no hydrogen 3.012 N/A ILE 19.A N LYS 7.A O no hydrogen 2.815 N/A LEU 20.A N PHE 226.A O no hydrogen 2.986 N/A SER 21.A N GLN 5.A O no hydrogen 2.852 N/A SER 21.A OG GLN 5.A O no hydrogen 3.377 N/A VAL 23.A N ASP 224.A O no hydrogen 3.322 N/A ALA 26.A N ASP 24.A OD2 no hydrogen 3.368 N/A MET 27.A N ASP 24.A O no hydrogen 2.935 N/A ALA 28.A N ASP 24.A O no hydrogen 2.885 N/A ASN 29.A N LEU 25.A O no hydrogen 2.821 N/A SER 30.A N ALA 26.A O no hydrogen 3.138 N/A LEU 31.A N MET 27.A O no hydrogen 2.875 N/A ARG 32.A N ALA 28.A O no hydrogen 3.284 N/A ARG 33.A N ASN 29.A O no hydrogen 2.901 N/A VAL 34.A N SER 30.A O no hydrogen 3.073 N/A MET 35.A N LEU 31.A O no hydrogen 3.026 N/A ALA 37.A N ARG 33.A O no hydrogen 2.964 N/A GLU 38.A N VAL 34.A O no hydrogen 2.930 N/A THR 41.A N GLY 160.A O no hydrogen 2.802 N/A THR 41.A OG1 SER 72.A OG no hydrogen 2.765 N/A LEU 42.A N SER 72.A OG no hydrogen 2.892 N/A ALA 43.A N LYS 158.A O no hydrogen 3.072 N/A ASP 45.A N VAL 156.A O no hydrogen 2.752 N/A GLU 48.A N THR 154.A O no hydrogen 2.763 N/A GLU 50.A N LYS 152.A O no hydrogen 2.971 N/A THR 51.A N LYS 152.A O no hydrogen 3.082 N/A ASN 52.A ND2 LEU 56.A O no hydrogen 3.381 N/A ASN 52.A ND2 ASP 58.A OD1 no hydrogen 2.768 N/A THR 53.A N GLU 150.A O no hydrogen 3.106 N/A THR 53.A OG1 GLU 150.A O no hydrogen 2.915 N/A THR 54.A N ASN 52.A OD1 no hydrogen 3.278 N/A THR 54.A OG1 ASN 52.A OD1 no hydrogen 2.777 N/A THR 54.A OG1 LEU 56.A O no hydrogen 3.235 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 3.080 N/A ILE 61.A N ALA 57.A O no hydrogen 2.993 N/A ALA 62.A N ASP 58.A O no hydrogen 3.041 N/A HIS 63.A N GLU 59.A O no hydrogen 2.686 N/A ARG 64.A N PHE 60.A O no hydrogen 3.219 N/A ARG 64.A NH1 LEU 141.A O no hydrogen 3.113 N/A ARG 64.A NH1 ILE 142.A O no hydrogen 2.510 N/A ARG 64.A NH2 LEU 141.A O no hydrogen 3.138 N/A LEU 65.A N ILE 61.A O no hydrogen 2.835 N/A GLY 66.A N ALA 62.A O no hydrogen 3.195 N/A GLY 66.A N HIS 63.A O no hydrogen 3.093 N/A LEU 67.A N ARG 64.A O no hydrogen 3.141 N/A ILE 68.A N LEU 65.A O no hydrogen 3.265 N/A GLN 71.A N HIS 129.A O no hydrogen 2.733 N/A SER 72.A N SER 235.A O no hydrogen 2.691 N/A SER 72.A OG THR 41.A OG1 no hydrogen 2.765 N/A SER 72.A OG LEU 70.A O no hydrogen 2.952 N/A ASP 74.A N ASN 126.A O no hydrogen 2.901 N/A ILE 75.A N SER 72.A O no hydrogen 3.301 N/A GLN 77.A N ASP 74.A O no hydrogen 3.287 N/A GLU 79.A N LYS 92.A O no hydrogen 2.969 N/A SER 81.A OG CYS 93.A O no hydrogen 3.481 N/A ASP 83.A N TYR 80.A O no hydrogen 2.871 N/A CYS 84.A N TYR 80.A O no hydrogen 3.199 N/A CYS 86.A SG ASP 88.A O no hydrogen 3.059 N/A CYS 93.A SG SER 81.A OG no hydrogen 3.097 N/A SER 94.A OG CYS 90.A O no hydrogen 2.854 N/A VAL 95.A N ALA 157.A O no hydrogen 3.078 N/A LEU 97.A N CYS 155.A O no hydrogen 2.651 N/A THR 98.A N VAL 117.A O no hydrogen 2.944 N/A LEU 99.A N LEU 153.A O no hydrogen 2.838 N/A ALA 101.A N LEU 151.A O no hydrogen 3.033 N/A GLY 103.A N GLN 149.A O no hydrogen 2.890 N/A GLU 104.A N PHE 102.A O no hydrogen 2.787 N/A THR 109.A N LEU 145.A O no hydrogen 3.188 N/A VAL 111.A N CYS 143.A O no hydrogen 2.803 N/A TYR 112.A N ASP 115.A OD1 no hydrogen 3.462 N/A SER 113.A N GLY 139.A O no hydrogen 3.066 N/A SER 113.A N VAL 140.A O no hydrogen 3.063 N/A SER 113.A OG GLY 139.A O no hydrogen 2.590 N/A LYS 114.A NZ ASN 138.A OD1 no hydrogen 3.251 N/A ASP 115.A N TYR 112.A O no hydrogen 3.136 N/A LEU 116.A N SER 113.A O no hydrogen 3.285 N/A VAL 117.A N THR 98.A O no hydrogen 2.985 N/A VAL 119.A N VAL 96.A O no hydrogen 2.817 N/A ASN 121.A N ASP 91.A OD1 no hydrogen 3.069 N/A MET 123.A N ASN 121.A OD1 no hydrogen 3.082 N/A ARG 125.A N LEU 122.A O no hydrogen 3.441 N/A ARG 125.A NE LEU 122.A O no hydrogen 2.691 N/A ARG 125.A NH1 GLN 77.A O no hydrogen 3.135 N/A ARG 125.A NH2 ASP 91.A O no hydrogen 2.694 N/A ASN 126.A N ASP 74.A OD2 no hydrogen 2.691 N/A GLY 128.A N GLN 71.A O no hydrogen 3.061 N/A ILE 131.A N PRO 69.A O no hydrogen 2.735 N/A LYS 135.A NZ GLU 136.A OE2 no hydrogen 2.805 N/A GLU 136.A N ASP 134.A OD2 no hydrogen 3.269 N/A GLY 137.A N ASP 134.A O no hydrogen 3.257 N/A ASN 138.A N ASP 134.A OD1 no hydrogen 2.633 N/A ASN 138.A ND2 ASN 138.A O no hydrogen 3.007 N/A ILE 142.A N VAL 111.A O no hydrogen 2.687 N/A CYS 143.A SG LYS 144.A O no hydrogen 3.706 N/A LEU 145.A N THR 109.A O no hydrogen 2.848 N/A ARG 146.A N GLN 149.A OE1 no hydrogen 3.377 N/A GLU 150.A N THR 53.A OG1 no hydrogen 2.755 N/A LEU 151.A N ALA 101.A O no hydrogen 2.885 N/A LYS 152.A N THR 51.A O no hydrogen 2.808 N/A LEU 153.A N LEU 99.A O no hydrogen 2.828 N/A THR 154.A N GLU 48.A O no hydrogen 2.878 N/A CYS 155.A N LEU 97.A O no hydrogen 2.810 N/A CYS 155.A SG LEU 97.A O no hydrogen 3.882 N/A VAL 156.A N SER 46.A O no hydrogen 2.916 N/A ALA 157.A N VAL 95.A O no hydrogen 2.684 N/A LYS 158.A N ALA 43.A O no hydrogen 2.750 N/A LYS 159.A NZ ILE 75.A O no hydrogen 3.188 N/A LYS 159.A NZ GLU 76.A OE1 no hydrogen 3.372 N/A LYS 159.A NZ LEU 78.A O no hydrogen 3.118 N/A GLY 160.A N THR 41.A O no hydrogen 3.070 N/A LYS 163.A N ALA 37.A O no hydrogen 3.190 N/A LYS 163.A NZ GLU 38.A OE1 no hydrogen 3.403 N/A GLU 164.A N ILE 161.A O no hydrogen 3.028 N/A HIS 165.A N ILE 161.A O no hydrogen 3.403 N/A LYS 167.A NZ ILE 44.A O no hydrogen 2.862 N/A LYS 167.A NZ ASP 45.A OD1 no hydrogen 2.986 N/A TRP 168.A N HIS 165.A O no hydrogen 3.099 N/A TRP 168.A NE1 LYS 158.A O no hydrogen 2.801 N/A GLU 175.A N ASN 229.A O no hydrogen 2.877 N/A GLU 177.A N TYR 227.A O no hydrogen 2.871 N/A TYR 178.A OH HIS 186.A ND1 no hydrogen 2.666 N/A TRP 181.A NE1 CYS 205.A O no hydrogen 3.075 N/A TRP 181.A NE1 GLU 208.A O no hydrogen 3.177 N/A ASN 182.A N ASP 179.A O no hydrogen 3.500 N/A ASN 182.A ND2 THR 187.A O no hydrogen 2.747 N/A LYS 183.A N ASP 179.A OD1 no hydrogen 3.134 N/A LYS 183.A NZ ASP 209.A O no hydrogen 2.997 N/A LEU 184.A N ASP 179.A OD2 no hydrogen 3.169 N/A LYS 185.A N ASN 182.A O no hydrogen 3.238 N/A HIS 186.A ND1 TYR 178.A OH no hydrogen 2.666 N/A THR 187.A N ASN 182.A OD1 no hydrogen 3.329 N/A GLU 192.A N GLU 198.A OE2 no hydrogen 2.888 N/A GLN 193.A N GLU 198.A OE2 no hydrogen 2.610 N/A ASP 194.A N GLU 198.A OE2 no hydrogen 3.010 N/A LYS 197.A N ASP 194.A O no hydrogen 3.254 N/A LYS 197.A N ASP 194.A OD2 no hydrogen 2.808 N/A GLU 198.A N ASP 194.A O no hydrogen 2.919 N/A TRP 199.A N SER 195.A O no hydrogen 2.994 N/A TRP 199.A NE1 TRP 190.A O no hydrogen 2.869 N/A SER 202.A OG GLU 177.A OE2 no hydrogen 2.673 N/A ASN 204.A ND2 GLU 177.A OE2 no hydrogen 2.905 N/A CYS 205.A N SER 202.A O no hydrogen 3.016 N/A CYS 205.A SG PRO 180.A O no hydrogen 3.707 N/A TYR 207.A N ASN 204.A O no hydrogen 3.222 N/A ASN 212.A ND2 ASP 215.A OD2 no hydrogen 2.810 N/A GLY 214.A N GLU 213.A OE2 no hydrogen 2.876 N/A ASP 215.A N GLU 213.A O no hydrogen 3.264 N/A TYR 227.A N GLU 177.A O no hydrogen 2.850 N/A TYR 227.A OH GLU 208.A OE1 no hydrogen 3.359 N/A MET 228.A N PHE 18.A O no hydrogen 3.238 N/A ASN 229.A N GLU 175.A O no hydrogen 3.228 N/A ASN 229.A ND2 ASN 15.A OD1 no hydrogen 3.280 N/A VAL 230.A N VAL 16.A O no hydrogen 2.994 N/A GLU 231.A N ALA 173.A O no hydrogen 3.326 N/A SER 232.A N ASP 14.A O no hydrogen 2.792 N/A SER 232.A OG ASP 14.A O no hydrogen 3.506 N/A VAL 233.A N PRO 170.A O no hydrogen 3.254 N/A VAL 241.A N PRO 237.A O no hydrogen 3.214 N/A VAL 241.A N VAL 238.A O no hydrogen 3.014 N/A VAL 243.A N ASP 239.A O no hydrogen 3.031 N/A ARG 244.A N GLN 240.A O no hydrogen 2.715 N/A ARG 244.A NH1 SER 72.A O no hydrogen 3.155 N/A ARG 244.A NH2 MET 73.A O no hydrogen 2.915 N/A GLY 245.A N VAL 241.A O no hydrogen 2.862 N/A ILE 246.A N VAL 242.A O no hydrogen 2.842 N/A ASP 247.A N VAL 243.A O no hydrogen 2.990 N/A THR 248.A N ARG 244.A O no hydrogen 2.848 N/A THR 248.A OG1 ARG 244.A O no hydrogen 2.616 N/A LEU 249.A N GLY 245.A O no hydrogen 3.326 N/A GLN 250.A N ILE 246.A O no hydrogen 3.183 N/A LYS 251.A N ASP 247.A O no hydrogen 2.804 N/A LYS 251.A NZ ASP 247.A OD2 no hydrogen 3.529 N/A LYS 252.A N THR 248.A O no hydrogen 2.868 N/A LYS 252.A NZ GLU 38.A OE1 no hydrogen 2.767 N/A VAL 253.A N LEU 249.A O no hydrogen 2.799 N/A VAL 253.A N GLN 250.A O no hydrogen 3.226 N/A ALA 254.A N GLN 250.A O no hydrogen 2.867 N/A SER 255.A N LYS 251.A O no hydrogen 3.028 N/A SER 255.A OG LYS 252.A O no hydrogen 2.598 N/A ILE 256.A N VAL 253.A O no hydrogen 3.114 N/A LEU 257.A N VAL 253.A O no hydrogen 3.250 N/A LEU 258.A N ALA 254.A O no hydrogen 2.748 N/A ALA 259.A N SER 255.A O no hydrogen 2.866 N/A LEU 260.A N ILE 256.A O no hydrogen 3.094 N/A THR 261.A OG1 LEU 257.A O no hydrogen 3.505 N/A