Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2py3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 4.A O no hydrogen 2.880 N/A GLU 8.A N ASP 4.A O no hydrogen 3.072 N/A GLU 8.A N PRO 5.A O no hydrogen 3.162 N/A PHE 9.A N ALA 82.A O no hydrogen 3.145 N/A ARG 11.A NE GLN 85.A O no hydrogen 2.946 N/A ARG 11.A NH1 PRO 88.A O no hydrogen 2.997 N/A ARG 11.A NH2 GLN 85.A O no hydrogen 3.023 N/A ARG 11.A NH2 PRO 88.A O no hydrogen 2.819 N/A LYS 13.A N PRO 10.A O no hydrogen 3.178 N/A LEU 14.A N ARG 11.A O no hydrogen 2.988 N/A THR 15.A N GLU 28.A O no hydrogen 2.971 N/A GLY 17.A N MET 26.A O no hydrogen 2.718 N/A LEU 20.A N VAL 24.A O no hydrogen 2.628 N/A GLN 23.A N MET 47.A O no hydrogen 2.760 N/A VAL 25.A N VAL 45.A O no hydrogen 2.967 N/A MET 26.A N LYS 18.A O no hydrogen 2.770 N/A ALA 27.A N VAL 43.A O no hydrogen 2.929 N/A GLU 28.A N THR 15.A O no hydrogen 3.089 N/A ALA 29.A N VAL 41.A O no hydrogen 2.860 N/A VAL 30.A N LYS 13.A O no hydrogen 2.978 N/A GLY 31.A N GLU 39.A O no hydrogen 2.838 N/A ASP 35.A N ASP 33.A OD1 no hydrogen 3.109 N/A LYS 36.A N ASP 33.A O no hydrogen 2.770 N/A GLU 39.A N LYS 36.A O no hydrogen 2.960 N/A VAL 41.A N ALA 29.A O no hydrogen 2.813 N/A THR 42.A OG1 GLU 28.A OE2 no hydrogen 2.732 N/A VAL 43.A N ALA 27.A O no hydrogen 2.748 N/A ALA 44.A N VAL 93.A O no hydrogen 2.966 N/A VAL 45.A N VAL 25.A O no hydrogen 2.897 N/A LYS 46.A N VAL 91.A O no hydrogen 2.858 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 3.242 N/A LYS 46.A NZ GLU 63.A OE2 no hydrogen 2.643 N/A MET 47.A N GLN 23.A O no hydrogen 3.067 N/A ALA 52.A N LYS 49.A O no hydrogen 3.046 N/A THR 53.A N ASP 56.A OD2 no hydrogen 2.949 N/A ASP 56.A N THR 53.A OG1 no hydrogen 3.048 N/A LEU 57.A N THR 53.A O no hydrogen 3.252 N/A LEU 57.A N GLU 54.A O no hydrogen 2.950 N/A SER 58.A N GLU 54.A O no hydrogen 3.056 N/A SER 58.A OG LYS 55.A O no hydrogen 3.149 N/A ASP 59.A N LYS 55.A O no hydrogen 2.944 N/A LEU 60.A N ASP 56.A O no hydrogen 3.177 N/A VAL 61.A N LEU 57.A O no hydrogen 2.942 N/A SER 62.A N SER 58.A O no hydrogen 2.793 N/A GLU 63.A N ASP 59.A O no hydrogen 2.718 N/A MET 64.A N LEU 60.A O no hydrogen 3.001 N/A GLU 65.A N VAL 61.A O no hydrogen 2.907 N/A MET 66.A N SER 62.A O no hydrogen 2.818 N/A MET 67.A N GLU 63.A O no hydrogen 3.061 N/A LYS 68.A N MET 64.A O no hydrogen 3.065 N/A LYS 68.A NZ ASP 4.A OD1 no hydrogen 2.764 N/A LYS 68.A NZ GLU 65.A OE2 no hydrogen 2.969 N/A MET 69.A N GLU 65.A O no hydrogen 3.153 N/A ILE 70.A N MET 66.A O no hydrogen 2.978 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 2.875 N/A ASN 75.A ND2 GLN 125.A OE1 no hydrogen 3.410 N/A ASN 75.A ND2 MET 156.A O no hydrogen 2.974 N/A ILE 76.A N HIS 73.A O no hydrogen 3.168 N/A ILE 77.A N ILE 158.A O no hydrogen 3.070 N/A LEU 80.A N ILE 92.A O no hydrogen 2.733 N/A GLY 81.A N ILE 92.A O no hydrogen 3.282 N/A ALA 82.A N TRP 7.A O no hydrogen 3.013 N/A CYS 83.A N TYR 90.A O no hydrogen 2.992 N/A CYS 83.A SG PHE 9.A O no hydrogen 3.314 N/A THR 84.A N GLU 8.A OE1 no hydrogen 2.958 N/A THR 84.A OG1 GLU 8.A OE2 no hydrogen 2.877 N/A GLN 85.A NE2 LEU 1.A O no hydrogen 2.859 N/A GLN 85.A NE2 THR 84.A OG1 no hydrogen 2.871 N/A TYR 90.A N CYS 83.A O no hydrogen 3.018 N/A VAL 91.A N LYS 46.A O no hydrogen 3.015 N/A ILE 92.A N GLY 81.A O no hydrogen 2.837 N/A VAL 93.A N ALA 44.A O no hydrogen 2.839 N/A GLY 94.A N ASN 78.A O no hydrogen 3.020 N/A SER 97.A OG GLU 152.A OE2 no hydrogen 2.892 N/A LYS 98.A N VAL 150.A O no hydrogen 2.845 N/A LYS 98.A NZ GLU 152.A O no hydrogen 2.991 N/A LYS 98.A NZ ASN 154.A OD1 no hydrogen 2.954 N/A GLY 99.A N ALA 96.A O no hydrogen 3.278 N/A LEU 101.A N VAL 148.A O no hydrogen 2.603 N/A GLU 103.A N ASN 100.A OD1 no hydrogen 2.863 N/A TYR 104.A N ASN 100.A O no hydrogen 3.016 N/A TYR 104.A OH ASN 154.A OD1 no hydrogen 3.195 N/A LEU 105.A N LEU 101.A O no hydrogen 2.887 N/A ARG 106.A N ARG 102.A O no hydrogen 3.095 N/A ARG 106.A NH1 GLY 216.A O no hydrogen 3.017 N/A ALA 107.A N GLU 103.A O no hydrogen 3.127 N/A ARG 108.A N TYR 104.A O no hydrogen 3.317 N/A ARG 108.A N LEU 105.A O no hydrogen 2.875 N/A ARG 109.A NE LEU 215.A O no hydrogen 2.895 N/A ARG 109.A NH2 THR 214.A O no hydrogen 3.066 N/A ARG 109.A NH2 LEU 215.A O no hydrogen 3.299 N/A THR 115.A N ASP 118.A OD2 no hydrogen 2.824 N/A ASP 118.A N THR 115.A OG1 no hydrogen 3.088 N/A LEU 119.A N THR 115.A O no hydrogen 3.027 N/A VAL 120.A N PHE 116.A O no hydrogen 3.023 N/A SER 121.A N LYS 117.A O no hydrogen 2.832 N/A CYS 122.A N ASP 118.A O no hydrogen 2.700 N/A THR 123.A N LEU 119.A O no hydrogen 3.007 N/A THR 123.A OG1 LEU 119.A O no hydrogen 2.829 N/A TYR 124.A N VAL 120.A O no hydrogen 2.739 N/A GLN 125.A N SER 121.A O no hydrogen 2.995 N/A GLN 125.A NE2 SER 121.A O no hydrogen 3.270 N/A GLN 125.A NE2 SER 121.A OG no hydrogen 3.177 N/A LEU 126.A N CYS 122.A O no hydrogen 3.228 N/A ALA 127.A N THR 123.A O no hydrogen 2.987 N/A ARG 128.A N TYR 124.A O no hydrogen 3.016 N/A GLY 129.A N GLN 125.A O no hydrogen 2.998 N/A MET 130.A N LEU 126.A O no hydrogen 2.870 N/A GLU 131.A N ALA 127.A O no hydrogen 2.705 N/A TYR 132.A N ARG 128.A O no hydrogen 3.113 N/A TYR 132.A OH ILE 70.A O no hydrogen 2.562 N/A LEU 133.A N GLY 129.A O no hydrogen 2.906 N/A ALA 134.A N MET 130.A O no hydrogen 2.778 N/A SER 135.A N GLU 131.A O no hydrogen 2.992 N/A SER 135.A OG TYR 132.A O no hydrogen 2.508 N/A GLN 136.A N TYR 132.A O no hydrogen 3.074 N/A GLN 136.A N LEU 133.A O no hydrogen 2.983 N/A GLN 136.A NE2 ILE 70.A O no hydrogen 3.249 N/A LYS 137.A N ALA 134.A O no hydrogen 2.934 N/A CYS 138.A N LEU 133.A O no hydrogen 3.159 N/A ILE 139.A N ARG 165.A O no hydrogen 2.937 N/A HIS 140.A N ASP 201.A OD1 no hydrogen 2.895 N/A HIS 140.A NE2 ALA 159.A O no hydrogen 2.786 N/A ARG 141.A N ASP 201.A OD2 no hydrogen 3.021 N/A ARG 141.A NH1 LEU 163.A O no hydrogen 2.833 N/A ARG 141.A NH2 ASN 178.A OD1 no hydrogen 2.870 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.058 N/A ALA 145.A N GLU 211.A OE2 no hydrogen 2.941 N/A ASN 147.A N ALA 144.A O no hydrogen 2.725 N/A ASN 147.A ND2 ARG 146.A O no hydrogen 3.256 N/A VAL 148.A N ALA 145.A O no hydrogen 3.023 N/A LEU 149.A N LYS 157.A O no hydrogen 2.758 N/A VAL 150.A N GLY 99.A O no hydrogen 2.803 N/A THR 151.A N VAL 155.A O no hydrogen 3.187 N/A ASN 154.A N THR 151.A O no hydrogen 2.901 N/A VAL 155.A N THR 151.A OG1 no hydrogen 3.110 N/A MET 156.A N GLN 125.A OE1 no hydrogen 3.017 N/A LYS 157.A N LEU 149.A O no hydrogen 2.803 N/A LYS 157.A NZ LYS 74.A O no hydrogen 2.660 N/A ILE 158.A N ASN 75.A O no hydrogen 3.061 N/A ALA 159.A N ASN 147.A O no hydrogen 2.752 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.198 N/A ALA 164.A N PHE 161.A O no hydrogen 3.337 N/A ARG 165.A N ILE 139.A O no hydrogen 2.983 N/A ARG 165.A NH1 ALA 164.A O no hydrogen 2.821 N/A ILE 167.A N LYS 137.A O no hydrogen 2.802 N/A ASN 168.A N ASP 166.A OD1 no hydrogen 2.733 N/A ASN 169.A N ASP 166.A O no hydrogen 2.892 N/A TYR 172.A N ILE 170.A O no hydrogen 2.861 N/A TYR 173.A N ARG 194.A O no hydrogen 3.238 N/A LYS 174.A N ASP 171.A O no hydrogen 3.232 N/A THR 177.A N LYS 174.A O no hydrogen 3.245 N/A THR 177.A OG1 ASP 171.A O no hydrogen 2.653 N/A THR 177.A OG1 LYS 174.A O no hydrogen 3.513 N/A ASN 178.A ND2 ALA 190.A O no hydrogen 2.949 N/A ASN 178.A ND2 VAL 195.A O no hydrogen 3.123 N/A ARG 180.A NH1 ASP 59.A OD2 no hydrogen 2.767 N/A ARG 180.A NH2 ASP 59.A OD1 no hydrogen 3.093 N/A ARG 180.A NH2 ASP 59.A OD2 no hydrogen 3.340 N/A LYS 184.A NZ PRO 219.A O no hydrogen 3.131 N/A LYS 184.A NZ TYR 220.A O no hydrogen 3.052 N/A LYS 184.A NZ ILE 223.A O no hydrogen 2.919 N/A TRP 185.A N PRO 182.A O no hydrogen 3.246 N/A TRP 185.A NE1 GLU 211.A OE2 no hydrogen 2.741 N/A MET 186.A N VAL 183.A O no hydrogen 3.222 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.726 N/A ALA 190.A N ALA 187.A O no hydrogen 2.951 N/A LEU 191.A N PRO 188.A O no hydrogen 3.072 N/A PHE 192.A N PRO 188.A O no hydrogen 3.069 N/A ASP 193.A N GLU 189.A O no hydrogen 2.824 N/A ARG 194.A NH1 THR 177.A O no hydrogen 2.874 N/A TYR 196.A OH ASP 201.A OD2 no hydrogen 2.715 N/A THR 197.A N SER 200.A OG no hydrogen 3.092 N/A GLN 199.A N THR 197.A OG1 no hydrogen 3.123 N/A SER 200.A N THR 197.A O no hydrogen 2.748 N/A SER 200.A OG GLU 189.A OE2 no hydrogen 3.007 N/A ASP 201.A N THR 197.A O no hydrogen 3.355 N/A VAL 202.A N HIS 198.A O no hydrogen 3.055 N/A TRP 203.A N GLN 199.A O no hydrogen 3.311 N/A SER 204.A N SER 200.A O no hydrogen 3.308 N/A SER 204.A OG TRP 185.A O no hydrogen 2.720 N/A SER 204.A OG SER 200.A O no hydrogen 3.460 N/A PHE 205.A N ASP 201.A O no hydrogen 2.899 N/A GLY 206.A N VAL 202.A O no hydrogen 3.029 N/A VAL 207.A N TRP 203.A O no hydrogen 3.346 N/A LEU 208.A N SER 204.A O no hydrogen 2.893 N/A MET 209.A N PHE 205.A O no hydrogen 2.728 N/A TRP 210.A N GLY 206.A O no hydrogen 2.985 N/A TRP 210.A NE1 ASP 239.A O no hydrogen 3.087 N/A GLU 211.A N VAL 207.A O no hydrogen 2.856 N/A ILE 212.A N LEU 208.A O no hydrogen 2.902 N/A PHE 213.A N MET 209.A O no hydrogen 2.980 N/A THR 214.A N TRP 210.A O no hydrogen 3.132 N/A THR 214.A N GLU 211.A O no hydrogen 3.304 N/A THR 214.A OG1 TRP 210.A O no hydrogen 2.683 N/A THR 214.A OG1 GLU 211.A O no hydrogen 2.902 N/A LEU 215.A N ILE 212.A O no hydrogen 2.918 N/A GLY 216.A N GLU 211.A O no hydrogen 2.687 N/A GLY 217.A N THR 214.A OG1 no hydrogen 2.974 N/A ILE 223.A N TYR 220.A O no hydrogen 3.080 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.530 N/A GLU 227.A N PRO 224.A O no hydrogen 2.994 N/A LEU 228.A N PRO 224.A O no hydrogen 3.261 N/A LEU 228.A N VAL 225.A O no hydrogen 3.281 N/A LEU 231.A N GLU 227.A O no hydrogen 3.500 N/A LEU 232.A N LEU 228.A O no hydrogen 2.826 N/A LYS 233.A N PHE 229.A O no hydrogen 2.952 N/A GLU 234.A N LYS 230.A O no hydrogen 3.054 N/A GLU 234.A N LEU 231.A O no hydrogen 2.849 N/A GLY 235.A N LEU 232.A O no hydrogen 3.143 N/A HIS 236.A N LEU 231.A O no hydrogen 2.999 N/A ARG 237.A NE TRP 256.A O no hydrogen 2.876 N/A ARG 237.A NH1 LEU 232.A O no hydrogen 3.303 N/A ARG 237.A NH1 HIS 236.A O no hydrogen 2.873 N/A ARG 237.A NH2 TRP 256.A O no hydrogen 3.027 N/A LYS 240.A NZ PRO 241.A O no hydrogen 3.255 N/A LYS 240.A NZ CYS 244.A O no hydrogen 2.489 N/A ASN 243.A ND2 PHE 213.A O no hydrogen 3.616 N/A CYS 244.A SG THR 245.A O no hydrogen 3.360 N/A LEU 248.A N THR 245.A OG1 no hydrogen 3.228 N/A TYR 249.A N THR 245.A O no hydrogen 2.986 N/A TYR 249.A OH MET 238.A O no hydrogen 2.674 N/A MET 250.A N ASN 246.A O no hydrogen 2.797 N/A MET 251.A N GLU 247.A O no hydrogen 3.045 N/A MET 252.A N LEU 248.A O no hydrogen 3.087 N/A ARG 253.A N TYR 249.A O no hydrogen 2.983 N/A ARG 253.A NH1 TYR 249.A OH no hydrogen 2.800 N/A ASP 254.A N MET 250.A O no hydrogen 2.960 N/A CYS 255.A N MET 251.A O no hydrogen 3.068 N/A CYS 255.A SG MET 251.A O no hydrogen 3.376 N/A TRP 256.A N MET 252.A O no hydrogen 3.003 N/A HIS 257.A N ASP 254.A O no hydrogen 2.941 N/A VAL 259.A N HIS 257.A ND1 no hydrogen 3.057 N/A GLN 262.A N VAL 259.A O no hydrogen 2.907 N/A ARG 263.A N PRO 260.A O no hydrogen 3.046 N/A ARG 263.A NE HIS 257.A O no hydrogen 2.816 N/A ARG 263.A NH1 GLU 189.A OE1 no hydrogen 3.484 N/A ARG 263.A NH1 GLU 189.A OE2 no hydrogen 2.707 N/A ARG 263.A NH1 GLN 199.A O no hydrogen 2.810 N/A ARG 263.A NH2 GLU 189.A OE1 no hydrogen 2.707 N/A ARG 263.A NH2 GLU 189.A OE2 no hydrogen 3.463 N/A ARG 263.A NH2 HIS 257.A O no hydrogen 3.451 N/A ARG 263.A NH2 ALA 258.A O no hydrogen 3.415 N/A THR 265.A N GLN 268.A OE1 no hydrogen 2.867 N/A GLN 268.A N THR 265.A OG1 no hydrogen 3.070 N/A LEU 269.A N THR 265.A O no hydrogen 3.022 N/A VAL 270.A N PHE 266.A O no hydrogen 2.934 N/A GLU 271.A N LYS 267.A O no hydrogen 3.284 N/A ASP 272.A N GLN 268.A O no hydrogen 3.086 N/A LEU 273.A N LEU 269.A O no hydrogen 2.864 N/A ASP 274.A N VAL 270.A O no hydrogen 2.880 N/A ARG 275.A N GLU 271.A O no hydrogen 3.068 N/A ARG 275.A NH1 ASP 272.A OD1 no hydrogen 2.690 N/A ILE 276.A N ASP 272.A O no hydrogen 2.929 N/A LEU 277.A N LEU 273.A O no hydrogen 2.722 N/A THR 278.A N ASP 274.A O no hydrogen 2.781 N/A THR 278.A OG1 ASP 274.A O no hydrogen 2.897 N/A LEU 279.A N ARG 275.A O no hydrogen 3.083 N/A THR 280.A N ILE 276.A O no hydrogen 2.965 N/A THR 280.A OG1 ILE 276.A O no hydrogen 2.956 N/A THR 281.A N LEU 277.A O no hydrogen 2.966 N/A THR 281.A OG1 LEU 277.A O no hydrogen 3.076 N/A ASN 282.A N THR 278.A O no hydrogen 2.957 N/A