Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y1e_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 183.A OD2 no hydrogen 3.056 N/A SER 4.A OG GLU 50.A OE1 no hydrogen 2.472 N/A LYS 5.A N ALA 2.A O no hydrogen 2.923 N/A VAL 7.A N MET 41.A O no hydrogen 2.850 N/A ILE 9.A N PHE 39.A O no hydrogen 2.726 N/A GLY 12.A N ILE 36.A O no hydrogen 2.950 N/A PHE 14.A N VAL 34.A O no hydrogen 2.888 N/A MET 16.A N ARG 32.A O no hydrogen 2.804 N/A GLY 17.A N GLU 133.A OE2 no hydrogen 2.860 N/A THR 18.A N GLU 28.A O no hydrogen 2.872 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.808 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.854 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.036 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.374 N/A ASP 26.A N ILE 23.A O no hydrogen 3.146 N/A GLY 27.A N LYS 24.A O no hydrogen 3.225 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 2.989 N/A ARG 32.A N MET 16.A O no hydrogen 2.922 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.953 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.941 N/A VAL 34.A N PHE 14.A O no hydrogen 2.828 N/A THR 35.A N THR 216.A O no hydrogen 2.868 N/A ILE 36.A N GLY 12.A O no hydrogen 2.827 N/A ASP 37.A N ASN 218.A OD1 no hydrogen 3.023 N/A PHE 39.A N ILE 9.A O no hydrogen 3.157 N/A TYR 40.A N ALA 268.A O no hydrogen 2.850 N/A MET 41.A N VAL 7.A O no hydrogen 2.946 N/A ASP 42.A N CYS 266.A O no hydrogen 2.915 N/A ALA 43.A N LYS 5.A O no hydrogen 3.073 N/A VAL 46.A N PHE 264.A O no hydrogen 2.854 N/A ASN 48.A N HIS 105.A O no hydrogen 2.911 N/A ASN 48.A ND2 ARG 102.A O no hydrogen 2.910 N/A THR 49.A N PRO 103.A O no hydrogen 2.979 N/A THR 49.A OG1 PRO 103.A O no hydrogen 3.062 N/A GLU 50.A N SER 47.A OG no hydrogen 3.175 N/A PHE 51.A N SER 47.A O no hydrogen 2.905 N/A GLU 52.A N ASN 48.A O no hydrogen 2.795 N/A LYS 53.A N THR 49.A O no hydrogen 3.105 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.820 N/A PHE 54.A N GLU 50.A O no hydrogen 3.315 N/A VAL 55.A N PHE 51.A O no hydrogen 2.936 N/A ASN 56.A N GLU 52.A O no hydrogen 2.737 N/A SER 57.A N LYS 53.A O no hydrogen 3.041 N/A THR 58.A N PHE 54.A O no hydrogen 2.956 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.896 N/A GLY 59.A N VAL 55.A O no hydrogen 2.785 N/A TYR 60.A N THR 58.A OG1 no hydrogen 2.982 N/A TYR 60.A OH ASP 114.A OD1 no hydrogen 2.513 N/A THR 62.A N GLU 65.A OE1 no hydrogen 3.029 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.719 N/A GLU 63.A N ASP 114.A OD1 no hydrogen 3.129 N/A LYS 66.A N THR 62.A O no hydrogen 3.187 N/A PHE 67.A N GLU 63.A O no hydrogen 2.824 N/A GLY 68.A N ALA 64.A O no hydrogen 2.838 N/A SER 70.A N VAL 84.A O no hydrogen 3.186 N/A SER 70.A OG HIS 109.A ND1 no hydrogen 2.602 N/A SER 70.A OG SER 258.A OG no hydrogen 2.646 N/A VAL 72.A N LEU 82.A O no hydrogen 2.902 N/A PHE 73.A N SER 260.A OG no hydrogen 3.200 N/A GLU 74.A N TRP 80.A O no hydrogen 2.813 N/A MET 76.A N PHE 73.A O no hydrogen 2.981 N/A LEU 77.A N GLU 74.A O no hydrogen 3.276 N/A TRP 81.A N ALA 78.A O no hydrogen 2.895 N/A LEU 82.A N VAL 72.A O no hydrogen 3.008 N/A VAL 84.A N SER 70.A O no hydrogen 2.862 N/A GLY 86.A N GLY 68.A O no hydrogen 2.950 N/A ALA 87.A N VAL 84.A O no hydrogen 3.281 N/A ASN 88.A N HIS 91.A O no hydrogen 3.294 N/A ARG 90.A N ASN 88.A OD1 no hydrogen 3.054 N/A ARG 90.A NH1 GLU 52.A OE2 no hydrogen 3.091 N/A HIS 91.A N ASN 88.A O no hydrogen 2.923 N/A HIS 91.A ND1 SER 97.A O no hydrogen 2.740 N/A GLU 93.A N SER 97.A OG no hydrogen 2.915 N/A GLY 94.A N HIS 91.A O no hydrogen 2.859 N/A SER 97.A N GLY 94.A O no hydrogen 2.814 N/A SER 97.A OG GLY 94.A O no hydrogen 2.542 N/A LEU 100.A N THR 98.A OG1 no hydrogen 3.268 N/A ARG 102.A N ILE 99.A O no hydrogen 2.999 N/A ARG 102.A NE THR 98.A O no hydrogen 2.950 N/A ARG 102.A NH1 GLU 93.A OE2 no hydrogen 3.043 N/A ARG 102.A NH2 GLU 93.A OE1 no hydrogen 2.962 N/A ARG 102.A NH2 GLU 93.A OE2 no hydrogen 3.415 N/A ARG 102.A NH2 THR 98.A O no hydrogen 2.953 N/A ASP 104.A N ASP 104.A OD1 no hydrogen 2.648 N/A HIS 105.A N ARG 102.A O no hydrogen 3.376 N/A HIS 105.A ND1 THR 179.A OG1 no hydrogen 2.715 N/A VAL 107.A N VAL 46.A O no hydrogen 2.925 N/A HIS 109.A N ALA 259.A O no hydrogen 3.064 N/A HIS 109.A ND1 SER 70.A OG no hydrogen 2.602 N/A HIS 109.A NE2 PRO 92.A O no hydrogen 2.748 N/A SER 111.A N ASP 114.A OD2 no hydrogen 2.775 N/A SER 111.A OG GLU 63.A OE2 no hydrogen 2.550 N/A TRP 112.A N PRO 255.A O no hydrogen 3.053 N/A TRP 112.A NE1 THR 203.A O no hydrogen 2.906 N/A ASN 113.A ND2 GLU 63.A OE2 no hydrogen 2.993 N/A ASP 114.A N SER 111.A OG no hydrogen 3.122 N/A ALA 115.A N SER 111.A O no hydrogen 2.928 N/A VAL 116.A N TRP 112.A O no hydrogen 2.997 N/A ALA 117.A N ASN 113.A O no hydrogen 3.007 N/A TYR 118.A N ASP 114.A O no hydrogen 2.976 N/A CYS 119.A N ALA 115.A O no hydrogen 2.897 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.443 N/A CYS 119.A SG ARG 125.A O no hydrogen 3.772 N/A THR 120.A N VAL 116.A O no hydrogen 2.937 N/A THR 120.A OG1 VAL 116.A O no hydrogen 2.742 N/A THR 120.A OG1 ALA 117.A O no hydrogen 3.065 N/A TRP 121.A N ALA 117.A O no hydrogen 2.928 N/A TRP 121.A NE1 SER 57.A OG no hydrogen 3.073 N/A ALA 122.A N TYR 118.A O no hydrogen 2.916 N/A GLY 123.A N THR 120.A O no hydrogen 3.048 N/A LYS 124.A N CYS 119.A O no hydrogen 2.762 N/A LYS 124.A NZ SER 4.A O no hydrogen 3.008 N/A LYS 124.A NZ ASP 42.A OD1 no hydrogen 2.866 N/A ARG 125.A N ALA 267.A O no hydrogen 2.798 N/A ARG 125.A NE ASP 269.A OD1 no hydrogen 3.314 N/A ARG 125.A NH1 LEU 126.A O no hydrogen 3.108 N/A ARG 125.A NH1 GLU 131.A OE1 no hydrogen 2.759 N/A ARG 125.A NH2 GLU 131.A OE1 no hydrogen 3.513 N/A ARG 125.A NH2 GLU 131.A OE2 no hydrogen 2.874 N/A ARG 125.A NH2 ASP 269.A OD1 no hydrogen 2.962 N/A THR 128.A N GLU 131.A OE1 no hydrogen 3.058 N/A GLU 129.A N ASP 205.A OD1 no hydrogen 2.876 N/A GLU 131.A N THR 128.A OG1 no hydrogen 2.914 N/A TRP 132.A N THR 128.A O no hydrogen 2.901 N/A TRP 132.A NE1 GLU 201.A OE1 no hydrogen 2.804 N/A GLU 133.A N GLU 129.A O no hydrogen 2.792 N/A TYR 134.A N ALA 130.A O no hydrogen 2.920 N/A TYR 134.A OH PRO 10.A O no hydrogen 2.748 N/A SER 135.A N GLU 131.A O no hydrogen 2.901 N/A SER 135.A OG GLU 131.A O no hydrogen 2.816 N/A CYS 136.A N TRP 132.A O no hydrogen 2.803 N/A ARG 137.A N GLU 133.A O no hydrogen 2.900 N/A ARG 137.A NE GLU 133.A OE2 no hydrogen 3.160 N/A ARG 137.A NH2 GLU 133.A OE2 no hydrogen 2.990 N/A GLY 138.A N SER 135.A O no hydrogen 3.104 N/A LEU 140.A N ARG 137.A O no hydrogen 3.204 N/A ARG 143.A NH1 HIS 141.A O no hydrogen 2.667 N/A LEU 144.A N ASN 149.A OD1 no hydrogen 2.940 N/A PHE 145.A N GLY 148.A O no hydrogen 2.897 N/A TRP 147.A NE1 LYS 150.A O no hydrogen 2.694 N/A GLY 148.A N PHE 145.A O no hydrogen 3.003 N/A LYS 154.A NZ TYR 158.A OH no hydrogen 3.250 N/A GLY 155.A N GLN 152.A O no hydrogen 3.016 N/A GLN 156.A N PRO 153.A O no hydrogen 2.980 N/A HIS 157.A NE2 GLU 173.A OE2 no hydrogen 2.742 N/A ASN 160.A ND2 GLY 178.A O no hydrogen 2.967 N/A ASN 160.A ND2 ASN 198.A OD1 no hydrogen 2.746 N/A ILE 161.A N ASP 174.A OD2 no hydrogen 3.125 N/A TRP 162.A N CYS 237.A O no hydrogen 2.847 N/A GLN 163.A NE2 ASP 174.A OD2 no hydrogen 2.966 N/A GLU 165.A N THR 169.A OG1.B no hydrogen 2.947 N/A THR 169.A N GLU 165.A O no hydrogen 2.749 N/A THR 169.A OG1.B GLU 165.A O no hydrogen 3.246 N/A THR 171.A N GLN 163.A O no hydrogen 2.892 N/A GLY 172.A N ASN 170.A OD1 no hydrogen 3.165 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.254 N/A ASP 174.A N GLN 163.A OE1 no hydrogen 2.996 N/A GLY 175.A N GLY 172.A O no hydrogen 2.948 N/A PHE 176.A N ASP 174.A OD1 no hydrogen 3.085 N/A GLN 177.A NE2 ASN 170.A O no hydrogen 2.936 N/A THR 179.A OG1 HIS 105.A ND1 no hydrogen 2.715 N/A ALA 180.A N ASN 198.A OD1 no hydrogen 2.730 N/A VAL 182.A N ASP 104.A O no hydrogen 2.807 N/A ALA 184.A N PRO 181.A O no hydrogen 3.047 N/A ASN 188.A N LEU 192.A O no hydrogen 2.911 N/A ASN 188.A ND2 SER 135.A O no hydrogen 2.893 N/A ASN 188.A ND2 CYS 136.A O no hydrogen 3.044 N/A TYR 190.A N ASN 188.A OD1 no hydrogen 3.141 N/A GLY 191.A N ASN 188.A O no hydrogen 2.953 N/A LEU 192.A N ASN 188.A OD1 no hydrogen 3.000 N/A TYR 193.A N ALA 43.A O no hydrogen 2.837 N/A ASN 194.A ND2 VAL 182.A O no hydrogen 3.021 N/A ASN 194.A ND2 ALA 184.A O no hydrogen 2.918 N/A GLY 197.A N GLY 232.A O no hydrogen 2.882 N/A ASN 198.A N ASN 160.A O no hydrogen 2.895 N/A ASN 198.A ND2 GLU 45.A OE1 no hydrogen 2.903 N/A ASN 198.A ND2 ALA 180.A O no hydrogen 3.139 N/A ALA 199.A N GLU 45.A OE2 no hydrogen 2.912 N/A TRP 200.A N ASN 261.A O no hydrogen 2.816 N/A GLU 201.A N LYS 231.A O no hydrogen 2.922 N/A TRP 202.A N GLY 263.A O no hydrogen 3.071 N/A TRP 202.A NE1 VAL 110.A O no hydrogen 3.009 N/A THR 203.A N VAL 229.A O no hydrogen 2.857 N/A THR 203.A OG1 VAL 229.A O no hydrogen 2.651 N/A SER 204.A N PRO 127.A O no hydrogen 2.775 N/A SER 204.A OG PRO 127.A O no hydrogen 3.304 N/A TRP 207.A N ASP 227.A O no hydrogen 2.727 N/A HIS 210.A N THR 208.A OG1 no hydrogen 3.115 N/A HIS 211.A NE2 GLY 27.A O no hydrogen 2.776 N/A THR 216.A N ARG 33.A O no hydrogen 3.435 N/A ASN 218.A N THR 35.A O no hydrogen 2.818 N/A ASN 218.A ND2 ASP 37.A OD2 no hydrogen 3.098 N/A LYS 226.A NZ ASP 227.A OD2 no hydrogen 3.286 N/A ARG 228.A N ASN 253.A O no hydrogen 2.801 N/A VAL 229.A N ASP 205.A O no hydrogen 2.921 N/A LYS 230.A N SER 251.A O no hydrogen 2.942 N/A LYS 230.A NZ ASN 253.A OD1 no hydrogen 2.840 N/A LYS 231.A N GLU 201.A O no hydrogen 2.830 N/A LYS 231.A NZ GLU 129.A OE2 no hydrogen 2.918 N/A LYS 231.A NZ GLU 133.A OE1 no hydrogen 2.851 N/A LYS 231.A NZ CYS 247.A O no hydrogen 3.178 N/A LYS 231.A NZ ALA 249.A O no hydrogen 2.741 N/A TYR 235.A N ASN 198.A O no hydrogen 2.862 N/A TYR 235.A OH SER 260.A O no hydrogen 3.413 N/A MET 236.A N SER 234.A OG no hydrogen 3.078 N/A CYS 237.A N SER 234.A O no hydrogen 3.102 N/A CYS 237.A SG.B SER 234.A O no hydrogen 3.555 N/A HIS 238.A ND1 SER 240.A OG no hydrogen 3.126 N/A ARG 239.A NH1 ARG 239.A O no hydrogen 3.128 N/A SER 240.A N HIS 238.A ND1 no hydrogen 3.001 N/A SER 240.A OG HIS 238.A ND1 no hydrogen 3.126 N/A TYR 241.A N HIS 238.A O no hydrogen 3.287 N/A TYR 241.A OH MET 236.A O no hydrogen 2.590 N/A CYS 242.A N HIS 238.A O no hydrogen 2.872 N/A ARG 244.A NE.A ASP 26.A OD2 no hydrogen 3.076 N/A ARG 244.A NH1.B ASP 26.A OD2 no hydrogen 2.499 N/A ARG 244.A NH1.B ARG 250.A O no hydrogen 3.447 N/A ARG 244.A NH2.A ASP 26.A OD2 no hydrogen 3.384 N/A ARG 244.A NH2.B ASP 26.A OD2 no hydrogen 3.027 N/A ARG 246.A NE TYR 243.A O no hydrogen 2.971 N/A ARG 246.A NH1 GLU 28.A OE1 no hydrogen 3.037 N/A ARG 246.A NH1 GLU 28.A OE2 no hydrogen 3.344 N/A ARG 246.A NH2 GLU 28.A OE2 no hydrogen 2.861 N/A ARG 246.A NH2 TYR 243.A O no hydrogen 2.738 N/A CYS 247.A N LEU 144.A O no hydrogen 3.228 N/A ALA 249.A N ARG 246.A O no hydrogen 3.106 N/A ARG 250.A NE GLU 129.A OE1 no hydrogen 3.461 N/A ARG 250.A NE GLU 129.A OE2 no hydrogen 2.857 N/A ARG 250.A NH1 ASP 26.A O no hydrogen 2.956 N/A ARG 250.A NH1 THR 208.A O no hydrogen 2.771 N/A ARG 250.A NH2 GLU 129.A OE1 no hydrogen 2.981 N/A ARG 250.A NH2 THR 208.A O no hydrogen 3.158 N/A SER 251.A N LYS 230.A O no hydrogen 3.151 N/A SER 251.A OG.A GLN 252.A OE1 no hydrogen 3.368 N/A GLN 252.A N SER 251.A OG.A no hydrogen 2.818 N/A ASN 253.A N ARG 228.A O no hydrogen 3.146 N/A THR 254.A OG1 ASP 256.A OD1 no hydrogen 2.836 N/A THR 254.A OG1 SER 257.A OG no hydrogen 2.689 N/A SER 257.A N THR 254.A O no hydrogen 2.820 N/A SER 257.A OG THR 254.A O no hydrogen 3.112 N/A SER 257.A OG THR 254.A OG1 no hydrogen 2.689 N/A SER 258.A OG SER 70.A OG no hydrogen 2.646 N/A SER 260.A N PHE 71.A O no hydrogen 2.900 N/A ASN 261.A ND2 SER 234.A OG no hydrogen 3.296 N/A LEU 262.A N ALA 259.A O no hydrogen 3.348 N/A GLY 263.A N TRP 200.A O no hydrogen 2.777 N/A ARG 265.A NE GLU 201.A OE1 no hydrogen 2.817 N/A ARG 265.A NH1 ASP 42.A O no hydrogen 3.040 N/A ARG 265.A NH1 ALA 43.A O no hydrogen 2.906 N/A ARG 265.A NH1 TYR 193.A O no hydrogen 3.464 N/A ARG 265.A NH2 TYR 193.A O no hydrogen 2.795 N/A ARG 265.A NH2 GLU 201.A OE1 no hydrogen 3.521 N/A ARG 265.A NH2 GLU 201.A OE2 no hydrogen 2.885 N/A CYS 266.A N ASP 42.A OD2 no hydrogen 2.952 N/A ALA 267.A N ARG 125.A O no hydrogen 2.668 N/A ALA 268.A N TYR 40.A O no hydrogen 2.927 N/A