Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pye_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.128 N/A GLN 5.A N ARG 19.A O no hydrogen 2.787 N/A VAL 7.A N LYS 17.A O no hydrogen 2.774 N/A GLU 8.A N LYS 17.A O no hydrogen 3.234 N/A ILE 10.A N VAL 15.A O no hydrogen 2.733 N/A VAL 15.A N GLY 11.A O no hydrogen 2.614 N/A TYR 16.A N LEU 29.A O no hydrogen 2.867 N/A LYS 17.A N GLU 8.A O no hydrogen 2.605 N/A ALA 18.A N VAL 27.A O no hydrogen 2.780 N/A ARG 19.A N GLN 5.A O no hydrogen 3.258 N/A ASN 20.A N GLU 25.A O no hydrogen 2.610 N/A LYS 21.A N ASN 3.A O no hydrogen 2.780 N/A LYS 21.A NZ GLU 2.A O no hydrogen 2.860 N/A LEU 22.A N ASN 20.A OD1 no hydrogen 2.574 N/A THR 23.A N ASN 20.A OD1 no hydrogen 2.763 N/A GLY 24.A N ASN 20.A O no hydrogen 2.894 N/A VAL 27.A N ALA 18.A O no hydrogen 2.638 N/A ALA 28.A N PHE 64.A O no hydrogen 2.925 N/A LEU 29.A N TYR 16.A O no hydrogen 2.763 N/A LYS 30.A N LEU 62.A O no hydrogen 2.837 N/A LYS 31.A N VAL 14.A O no hydrogen 2.891 N/A ILE 32.A N LEU 60.A O no hydrogen 2.919 N/A GLU 37.A N THR 33.A O no hydrogen 3.190 N/A ILE 38.A N ALA 34.A O no hydrogen 3.075 N/A ILE 38.A N ILE 35.A O no hydrogen 3.071 N/A SER 39.A N ILE 35.A O no hydrogen 2.958 N/A SER 39.A OG ILE 35.A O no hydrogen 2.959 N/A LEU 40.A N ARG 36.A O no hydrogen 3.323 N/A LYS 42.A N ILE 38.A O no hydrogen 3.276 N/A LYS 42.A N SER 39.A O no hydrogen 3.184 N/A LYS 42.A NZ ASP 54.A OD1 no hydrogen 3.284 N/A GLU 43.A N LEU 40.A O no hydrogen 2.863 N/A LEU 44.A N LEU 41.A O no hydrogen 3.081 N/A ASN 45.A N GLU 43.A O no hydrogen 2.980 N/A ASN 48.A ND2 GLN 94.A OE1 no hydrogen 3.094 N/A ASN 48.A ND2 ILE 125.A O no hydrogen 2.960 N/A ILE 49.A N HIS 46.A O no hydrogen 3.058 N/A VAL 50.A N LEU 127.A O no hydrogen 2.928 N/A LYS 51.A N GLU 65.A OE2 no hydrogen 2.789 N/A LEU 53.A N VAL 63.A O no hydrogen 2.711 N/A ASP 54.A N VAL 63.A O no hydrogen 3.234 N/A ILE 56.A N TYR 61.A O no hydrogen 2.807 N/A TYR 61.A N ILE 56.A O no hydrogen 2.870 N/A LEU 62.A N LYS 30.A O no hydrogen 2.871 N/A VAL 63.A N ASP 54.A O no hydrogen 2.837 N/A PHE 64.A N ALA 28.A O no hydrogen 2.787 N/A GLU 65.A N LYS 51.A O no hydrogen 2.961 N/A LEU 71.A N LEU 117.A O no hydrogen 2.768 N/A LYS 73.A N ASP 70.A OD2 no hydrogen 3.231 N/A PHE 74.A N ASP 70.A O no hydrogen 3.175 N/A MET 75.A N LEU 71.A O no hydrogen 2.670 N/A ASP 76.A N LYS 72.A O no hydrogen 2.972 N/A ALA 77.A N LYS 73.A O no hydrogen 2.993 N/A SER 78.A N MET 75.A O no hydrogen 2.991 N/A SER 78.A OG PHE 74.A O no hydrogen 2.777 N/A ALA 79.A N ASP 76.A O no hydrogen 3.363 N/A THR 81.A OG1 GLY 82.A O no hydrogen 3.222 N/A GLY 82.A N SER 78.A O no hydrogen 2.451 N/A LEU 87.A N PRO 84.A O no hydrogen 2.839 N/A ILE 88.A N PRO 84.A O no hydrogen 2.999 N/A LYS 89.A N LEU 85.A O no hydrogen 2.806 N/A LYS 89.A NZ PHE 253.A O no hydrogen 3.034 N/A LYS 89.A NZ ASP 256.A OD1 no hydrogen 2.752 N/A SER 90.A N PRO 86.A O no hydrogen 3.151 N/A SER 90.A OG THR 258.A O no hydrogen 3.179 N/A TYR 91.A N LEU 87.A O no hydrogen 2.910 N/A LEU 92.A N ILE 88.A O no hydrogen 2.955 N/A PHE 93.A N LYS 89.A O no hydrogen 2.961 N/A GLN 94.A N SER 90.A O no hydrogen 3.010 N/A GLN 94.A NE2 SER 90.A O no hydrogen 3.407 N/A GLN 94.A NE2 SER 90.A OG no hydrogen 3.017 N/A GLN 94.A NE2 GLY 123.A O no hydrogen 2.932 N/A LEU 95.A N TYR 91.A O no hydrogen 2.935 N/A LEU 96.A N LEU 92.A O no hydrogen 2.925 N/A GLN 97.A N PHE 93.A O no hydrogen 3.047 N/A GLY 98.A N GLN 94.A O no hydrogen 2.975 N/A LEU 99.A N LEU 95.A O no hydrogen 2.914 N/A ALA 100.A N LEU 96.A O no hydrogen 2.750 N/A PHE 101.A N GLN 97.A O no hydrogen 2.940 N/A CYS 102.A N GLY 98.A O no hydrogen 2.913 N/A CYS 102.A SG GLY 98.A O no hydrogen 3.350 N/A HIS 103.A N LEU 99.A O no hydrogen 2.653 N/A HIS 103.A NE2 ASP 153.A OD2 no hydrogen 2.690 N/A SER 104.A N ALA 100.A O no hydrogen 3.006 N/A HIS 105.A N CYS 102.A O no hydrogen 2.940 N/A HIS 105.A ND1 PHE 101.A O no hydrogen 2.887 N/A ARG 106.A N HIS 103.A O no hydrogen 3.040 N/A VAL 107.A N CYS 102.A O no hydrogen 3.038 N/A HIS 109.A N ASP 153.A OD2 no hydrogen 2.845 N/A ARG 110.A N ASP 153.A OD1 no hydrogen 2.862 N/A LYS 113.A NZ ASP 111.A OD2 no hydrogen 3.001 N/A GLN 115.A N GLN 115.A OE1 no hydrogen 2.742 N/A ASN 116.A N LYS 113.A O no hydrogen 2.857 N/A ASN 116.A ND2 ASP 111.A O no hydrogen 2.807 N/A LEU 117.A N PRO 114.A O no hydrogen 3.154 N/A LEU 118.A N LYS 126.A O no hydrogen 2.957 N/A ILE 119.A N GLN 69.A O no hydrogen 2.835 N/A ASN 120.A N ALA 124.A O no hydrogen 3.163 N/A GLU 122.A N ASN 120.A OD1 no hydrogen 2.927 N/A GLY 123.A N ASN 120.A O no hydrogen 3.418 N/A ALA 124.A N ASN 120.A OD1 no hydrogen 3.018 N/A ILE 125.A N GLN 94.A OE1 no hydrogen 3.241 N/A LYS 126.A N LEU 118.A O no hydrogen 2.833 N/A LYS 126.A NZ GLU 65.A OE1 no hydrogen 3.403 N/A LYS 126.A NZ GLU 65.A OE2 no hydrogen 3.291 N/A LEU 127.A N ASN 48.A O no hydrogen 2.843 N/A ALA 128.A N ASN 116.A O no hydrogen 2.895 N/A TYR 136.A OH GLU 163.A OE1 no hydrogen 2.524 N/A ARG 137.A N LEU 134.A O no hydrogen 3.004 N/A ARG 137.A NH1 ASP 111.A OD1 no hydrogen 3.421 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.637 N/A ILE 141.A N ALA 138.A O no hydrogen 3.129 N/A LEU 142.A N ALA 138.A O no hydrogen 3.300 N/A LEU 143.A N PRO 139.A O no hydrogen 2.836 N/A GLY 144.A N ILE 141.A O no hydrogen 3.040 N/A CYS 145.A N GLU 140.A O no hydrogen 2.894 N/A ALA 151.A N SER 149.A OG no hydrogen 3.283 N/A VAL 152.A N SER 149.A O no hydrogen 2.952 N/A ASP 153.A N THR 150.A O no hydrogen 2.946 N/A TRP 155.A N ALA 151.A O no hydrogen 3.175 N/A SER 156.A N VAL 152.A O no hydrogen 3.242 N/A SER 156.A OG TYR 136.A O no hydrogen 2.773 N/A SER 156.A OG VAL 152.A O no hydrogen 3.131 N/A LEU 157.A N ASP 153.A O no hydrogen 2.938 N/A GLY 158.A N ILE 154.A O no hydrogen 2.807 N/A CYS 159.A N TRP 155.A O no hydrogen 2.983 N/A CYS 159.A SG TRP 155.A O no hydrogen 3.545 N/A ILE 160.A N SER 156.A O no hydrogen 3.093 N/A PHE 161.A N LEU 157.A O no hydrogen 2.852 N/A ALA 162.A N GLY 158.A O no hydrogen 2.970 N/A GLU 163.A N CYS 159.A O no hydrogen 2.883 N/A MET 164.A N ILE 160.A O no hydrogen 2.894 N/A VAL 165.A N PHE 161.A O no hydrogen 3.120 N/A THR 166.A N ALA 162.A O no hydrogen 2.965 N/A THR 166.A OG1 ALA 162.A O no hydrogen 3.033 N/A THR 166.A OG1 ARG 168.A O no hydrogen 3.006 N/A ARG 167.A N GLU 163.A O no hydrogen 2.774 N/A ARG 167.A NH1 ALA 79.A O no hydrogen 3.435 N/A GLY 173.A N PHE 171.A O no hydrogen 2.905 N/A ASP 174.A N ASP 178.A OD2 no hydrogen 3.083 N/A ASP 178.A N SER 175.A OG no hydrogen 3.013 N/A GLN 179.A N SER 175.A O no hydrogen 2.824 N/A GLN 179.A NE2 TRP 135.A O no hydrogen 3.383 N/A GLN 179.A NE2 PHE 171.A O no hydrogen 2.999 N/A LEU 180.A N GLU 176.A O no hydrogen 3.035 N/A PHE 181.A N ILE 177.A O no hydrogen 2.864 N/A ARG 182.A N ASP 178.A O no hydrogen 2.900 N/A ARG 182.A NE ASP 178.A OD2 no hydrogen 2.891 N/A ILE 183.A N GLN 179.A O no hydrogen 3.136 N/A PHE 184.A N LEU 180.A O no hydrogen 2.938 N/A ARG 185.A N PHE 181.A O no hydrogen 2.865 N/A THR 186.A N ARG 182.A O no hydrogen 3.354 N/A THR 186.A OG1 ARG 182.A O no hydrogen 3.411 N/A LEU 187.A N ILE 183.A O no hydrogen 2.787 N/A GLY 188.A N PHE 184.A O no hydrogen 2.707 N/A THR 189.A N TRP 211.A O no hydrogen 2.940 N/A THR 189.A OG1 PRO 209.A O no hydrogen 2.711 N/A VAL 193.A N ASP 191.A OD1 no hydrogen 2.778 N/A VAL 194.A N ASP 191.A OD1 no hydrogen 3.139 N/A TRP 195.A N ASP 191.A O no hydrogen 2.880 N/A GLY 197.A N GLU 192.A OE1 no hydrogen 2.725 N/A VAL 198.A N TRP 195.A O no hydrogen 2.936 N/A THR 199.A N GLU 192.A OE2 no hydrogen 3.115 N/A THR 199.A OG1 GLU 192.A OE2 no hydrogen 2.697 N/A SER 200.A N GLY 197.A O no hydrogen 3.055 N/A MET 201.A N VAL 198.A O no hydrogen 3.108 N/A ASP 203.A N LEU 143.A O no hydrogen 2.881 N/A TYR 204.A N MET 201.A O no hydrogen 3.088 N/A PHE 208.A N LYS 205.A O no hydrogen 2.861 N/A TRP 211.A N THR 189.A OG1 no hydrogen 2.746 N/A ARG 213.A NH1 LEU 187.A O no hydrogen 3.036 N/A GLN 214.A N THR 186.A O no hydrogen 2.913 N/A LYS 218.A N ASP 215.A O no hydrogen 2.976 N/A VAL 219.A N PHE 216.A O no hydrogen 2.923 N/A VAL 220.A N PHE 216.A O no hydrogen 3.104 N/A LEU 223.A N VAL 220.A O no hydrogen 2.941 N/A GLY 227.A N ASP 224.A OD1 no hydrogen 2.813 N/A ARG 228.A N ASP 224.A O no hydrogen 2.883 N/A ARG 228.A NH1 LEU 223.A O no hydrogen 2.587 N/A SER 229.A N GLU 225.A O no hydrogen 2.805 N/A SER 229.A OG HIS 251.A NE2 no hydrogen 3.078 N/A LEU 230.A N ASP 226.A O no hydrogen 2.928 N/A LEU 231.A N GLY 227.A O no hydrogen 2.912 N/A SER 232.A N ARG 228.A O no hydrogen 2.902 N/A GLN 233.A N SER 229.A O no hydrogen 3.274 N/A GLN 233.A NE2 SER 229.A O no hydrogen 3.410 N/A MET 234.A N LEU 230.A O no hydrogen 3.006 N/A MET 234.A N LEU 231.A O no hydrogen 2.928 N/A LEU 235.A N LEU 231.A O no hydrogen 2.906 N/A LEU 235.A N SER 232.A O no hydrogen 3.300 N/A TYR 237.A OH GLY 188.A O no hydrogen 2.559 N/A ASN 240.A N ASP 238.A OD1 no hydrogen 2.914 N/A ASN 240.A ND2 ASP 238.A OD1 no hydrogen 3.411 N/A LYS 241.A N ASP 238.A O no hydrogen 2.883 N/A LYS 241.A NZ VAL 194.A O no hydrogen 2.777 N/A ARG 242.A N ASP 238.A O no hydrogen 2.969 N/A ARG 242.A NE HIS 236.A O no hydrogen 2.749 N/A ARG 242.A NH1 GLU 140.A OE1 no hydrogen 3.450 N/A ARG 242.A NH1 GLU 140.A OE2 no hydrogen 2.901 N/A ARG 242.A NH1 ALA 151.A O no hydrogen 2.949 N/A ARG 242.A NH2 GLU 140.A OE1 no hydrogen 2.873 N/A ARG 242.A NH2 HIS 236.A O no hydrogen 3.192 N/A ARG 242.A NH2 TYR 237.A O no hydrogen 3.055 N/A ILE 243.A N GLN 233.A O no hydrogen 2.992 N/A ALA 247.A N SER 244.A OG no hydrogen 3.097 N/A ALA 248.A N SER 244.A O no hydrogen 3.039 N/A LEU 249.A N ALA 245.A O no hydrogen 3.051 N/A LEU 249.A N LYS 246.A O no hydrogen 3.120 N/A ALA 250.A N ALA 247.A O no hydrogen 2.939 N/A HIS 251.A N ALA 248.A O no hydrogen 3.020 N/A HIS 251.A NE2 SER 229.A OG no hydrogen 3.078 N/A PHE 253.A N HIS 251.A ND1 no hydrogen 2.926 N/A PHE 254.A N HIS 251.A O no hydrogen 3.033 N/A GLN 255.A N PRO 252.A O no hydrogen 2.980 N/A VAL 257.A N PHE 254.A O no hydrogen 3.210 N/A ARG 265.A NH1 LEU 266.A O no hydrogen 3.517 N/A