Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qcm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 249.A O no hydrogen 2.922 N/A VAL 6.A N SER 247.A O no hydrogen 2.933 N/A PHE 9.A N PRO 5.A O no hydrogen 2.864 N/A VAL 10.A N VAL 6.A O no hydrogen 3.077 N/A LYS 11.A N LYS 7.A O no hydrogen 3.333 N/A HIS 12.A N GLN 8.A O no hydrogen 2.712 N/A HIS 12.A ND1 GLU 15.A OE2 no hydrogen 3.321 N/A ILE 13.A N PHE 9.A O no hydrogen 2.895 N/A GLU 15.A N LYS 11.A O no hydrogen 3.361 N/A LEU 16.A N HIS 12.A O no hydrogen 3.049 N/A TYR 17.A N ILE 13.A O no hydrogen 2.924 N/A TYR 17.A OH ASP 277.A OD1.B no hydrogen 2.552 N/A SER 18.A N GLY 14.A O no hydrogen 3.110 N/A SER 18.A OG GLU 15.A O no hydrogen 2.957 N/A ASN 20.A ND2 ASN 20.A O no hydrogen 2.850 N/A GLN 21.A N SER 18.A O no hydrogen 2.997 N/A HIS 22.A N ASN 19.A O no hydrogen 3.173 N/A HIS 22.A ND1 ASN 19.A O no hydrogen 2.725 N/A SER 25.A N GLN 21.A O no hydrogen 3.203 N/A SER 25.A OG GLN 21.A O no hydrogen 3.266 N/A SER 25.A OG GLU 269.A OE1 no hydrogen 3.530 N/A SER 25.A OG GLU 269.A OE2 no hydrogen 2.704 N/A GLU 26.A N HIS 22.A O no hydrogen 2.977 N/A ASP 27.A N GLY 23.A O no hydrogen 2.937 N/A PHE 28.A N PHE 24.A O no hydrogen 2.856 N/A GLU 29.A N SER 25.A O no hydrogen 2.867 N/A GLU 30.A N GLU 26.A O no hydrogen 2.997 N/A VAL 31.A N ASP 27.A O no hydrogen 3.019 N/A GLN 32.A N PHE 28.A O no hydrogen 2.856 N/A ARG 33.A N GLU 29.A O no hydrogen 3.168 N/A ARG 33.A NH2 GLU 29.A OE2 no hydrogen 3.066 N/A CYS 34.A N VAL 31.A O no hydrogen 3.385 N/A CYS 34.A SG VAL 31.A O no hydrogen 3.354 N/A CYS 34.A SG LYS 256.A O no hydrogen 3.834 N/A ALA 36.A N ARG 33.A O no hydrogen 3.024 N/A MET 38.A N THR 35.A O no hydrogen 2.981 N/A THR 41.A OG1 ASP 63.A OD2 no hydrogen 2.934 N/A GLU 43.A N ASP 63.A OD2 no hydrogen 2.808 N/A HIS 44.A N ASP 63.A OD1 no hydrogen 3.386 N/A HIS 44.A ND1 ASP 63.A OD1 no hydrogen 2.981 N/A SER 45.A OG ALA 61.A O no hydrogen 3.543 N/A SER 45.A OG TYR 80.A OH no hydrogen 2.622 N/A ASN 46.A N ALA 42.A O no hydrogen 3.357 N/A ASN 46.A N GLU 43.A O no hydrogen 3.046 N/A HIS 47.A N HIS 44.A O no hydrogen 3.348 N/A GLU 49.A N HIS 47.A ND1 no hydrogen 3.257 N/A ASN 50.A N HIS 47.A O no hydrogen 2.865 N/A ASN 50.A ND2 HIS 44.A O no hydrogen 2.745 N/A ASN 50.A ND2 HIS 77.A ND1 no hydrogen 3.563 N/A LYS 53.A N ASN 50.A O no hydrogen 2.995 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 2.821 N/A ASN 54.A N LYS 51.A O no hydrogen 3.473 N/A ASN 54.A ND2 SER 45.A O no hydrogen 2.830 N/A ARG 55.A N GLN 99.A OE1 no hydrogen 2.889 N/A ARG 55.A NE GLY 100.A O no hydrogen 2.848 N/A ARG 55.A NH2 GLY 100.A O no hydrogen 3.354 N/A ARG 55.A NH2 PRO 101.A O no hydrogen 2.785 N/A ARG 55.A NH2 ASP 136.A OD2 no hydrogen 3.316 N/A TYR 56.A OH SER 224.A OG no hydrogen 2.702 N/A ILE 59.A N TYR 56.A O no hydrogen 3.150 N/A LEU 60.A N ASN 263.A OD1 no hydrogen 3.065 N/A ALA 61.A N SER 45.A OG no hydrogen 2.856 N/A ASP 63.A N THR 41.A O no hydrogen 2.816 N/A HIS 64.A NE2 THR 260.A O no hydrogen 2.756 N/A SER 65.A N TYR 62.A O no hydrogen 3.382 N/A SER 65.A OG TYR 62.A O no hydrogen 3.565 N/A SER 65.A OG GLN 261.A O no hydrogen 2.556 N/A ARG 66.A N ASP 63.A O no hydrogen 3.437 N/A ARG 66.A NH2 ASP 79.A OD2 no hydrogen 3.006 N/A VAL 67.A N ALA 83.A O no hydrogen 2.998 N/A LEU 69.A N ASP 79.A O no hydrogen 2.764 N/A ARG 70.A N GLU 115.A OE1 no hydrogen 2.791 N/A ARG 70.A NH2 GLU 115.A O no hydrogen 2.806 N/A LEU 72.A N SER 78.A OG no hydrogen 3.001 N/A SER 78.A N SER 75.A O no hydrogen 3.237 N/A SER 78.A OG SER 75.A O no hydrogen 2.812 N/A TYR 80.A N HIS 77.A O no hydrogen 3.500 N/A TYR 80.A OH SER 45.A OG no hydrogen 2.622 N/A TYR 80.A OH ASN 54.A OD1 no hydrogen 2.590 N/A ASN 82.A ND2 ASN 54.A OD1 no hydrogen 3.000 N/A ASN 82.A ND2 ILE 59.A O no hydrogen 2.752 N/A ASN 84.A N ALA 97.A O no hydrogen 2.876 N/A ASN 84.A ND2 TYR 62.A O no hydrogen 3.081 N/A ASN 84.A ND2 SER 65.A OG no hydrogen 2.879 N/A TYR 85.A N SER 65.A O no hydrogen 2.902 N/A TYR 85.A OH GLN 116.A OE1 no hydrogen 2.743 N/A VAL 86.A N TYR 95.A O no hydrogen 2.833 N/A ASP 87.A N GLN 261.A OE1 no hydrogen 2.928 N/A GLY 88.A N LYS 91.A O no hydrogen 2.781 N/A TYR 89.A OH ASP 245.A OD2 no hydrogen 2.578 N/A LYS 91.A N GLY 88.A O no hydrogen 3.525 N/A LYS 93.A N ASP 87.A OD1 no hydrogen 2.899 N/A TYR 95.A N VAL 86.A O no hydrogen 2.997 N/A TYR 95.A OH ASP 237.A OD2 no hydrogen 2.593 N/A ILE 96.A N VAL 219.A O no hydrogen 2.940 N/A ALA 97.A N ASN 84.A O no hydrogen 2.795 N/A THR 98.A N VAL 221.A O no hydrogen 2.991 N/A THR 98.A OG1 ASN 82.A O no hydrogen 2.651 N/A GLN 99.A N ASN 82.A O no hydrogen 3.477 N/A GLN 99.A NE2 LYS 53.A O no hydrogen 2.931 N/A GLY 100.A N SER 224.A O no hydrogen 2.750 N/A LEU 102.A N THR 105.A OG1 no hydrogen 2.924 N/A SER 104.A OG HIS 52.A O no hydrogen 3.472 N/A THR 105.A N LEU 102.A O no hydrogen 2.738 N/A THR 105.A OG1 LEU 102.A O no hydrogen 3.252 N/A PHE 109.A N THR 105.A O no hydrogen 2.889 N/A TRP 110.A N PHE 106.A O no hydrogen 3.091 N/A TRP 110.A NE1 TYR 138.A O no hydrogen 2.695 N/A ARG 111.A N GLU 107.A O no hydrogen 2.861 N/A ARG 111.A NH1 ARG 70.A O no hydrogen 2.752 N/A ARG 111.A NH1 GLU 115.A OE2 no hydrogen 2.762 N/A MET 112.A N ASP 108.A O no hydrogen 2.844 N/A ILE 113.A N PHE 109.A O no hydrogen 3.089 N/A TRP 114.A N TRP 110.A O no hydrogen 2.937 N/A GLU 115.A N ARG 111.A O no hydrogen 2.730 N/A GLN 116.A N MET 112.A O no hydrogen 2.731 N/A ASN 117.A N TRP 114.A O no hydrogen 3.100 N/A THR 118.A N ILE 113.A O no hydrogen 3.108 N/A THR 118.A OG1 PRO 218.A O no hydrogen 2.925 N/A ILE 121.A N ILE 182.A O no hydrogen 2.771 N/A ILE 122.A N LEU 220.A O no hydrogen 2.691 N/A MET 123.A N TYR 184.A O no hydrogen 2.865 N/A ILE 124.A N HIS 222.A O no hydrogen 2.905 N/A THR 125.A OG1 ASN 126.A O no hydrogen 3.035 N/A THR 125.A OG1 GLU 129.A OE2 no hydrogen 3.102 N/A ASN 126.A N GLU 129.A OE2 no hydrogen 2.783 N/A ASN 126.A ND2 THR 187.A O no hydrogen 3.078 N/A GLU 129.A N ARG 132.A O no hydrogen 2.920 N/A ARG 132.A N GLU 129.A O no hydrogen 2.902 N/A ARG 133.A NE CYS 135.A O no hydrogen 3.082 N/A ARG 133.A NH2 CYS 135.A O no hydrogen 3.293 N/A LYS 134.A N LEU 127.A O no hydrogen 2.773 N/A LYS 134.A NZ TYR 56.A OH no hydrogen 3.452 N/A CYS 135.A N LEU 127.A O no hydrogen 3.058 N/A CYS 135.A SG ASP 136.A O no hydrogen 3.400 N/A GLN 137.A NE2 TRP 139.A O no hydrogen 2.758 N/A GLN 137.A NE2 THR 141.A OG1 no hydrogen 3.160 N/A TYR 138.A OH HIS 222.A NE2 no hydrogen 2.813 N/A THR 144.A OG1 THR 153.A OG1 no hydrogen 2.579 N/A GLU 145.A N VAL 152.A O no hydrogen 2.948 N/A TYR 147.A N ILE 150.A O no hydrogen 2.705 N/A ILE 150.A N TYR 147.A O no hydrogen 3.152 N/A ILE 151.A N ARG 171.A O no hydrogen 2.904 N/A VAL 152.A N GLU 145.A O no hydrogen 2.769 N/A THR 153.A N SER 169.A O no hydrogen 2.940 N/A THR 153.A OG1 THR 144.A OG1 no hydrogen 2.579 N/A LEU 154.A N ASN 143.A O no hydrogen 2.874 N/A LYS 155.A N ARG 167.A O no hydrogen 2.784 N/A SER 156.A N ARG 167.A O no hydrogen 3.464 N/A LYS 158.A N VAL 165.A O no hydrogen 2.834 N/A HIS 160.A N TYR 163.A O no hydrogen 2.861 N/A THR 164.A N HIS 185.A O no hydrogen 2.777 N/A VAL 165.A N LYS 158.A O no hydrogen 2.926 N/A ARG 166.A N GLN 183.A O no hydrogen 2.950 N/A ARG 166.A NH1 GLN 183.A OE1 no hydrogen 2.787 N/A ARG 166.A NH1 HIS 185.A ND1 no hydrogen 2.994 N/A ARG 167.A N SER 156.A O no hydrogen 2.936 N/A PHE 168.A N VAL 181.A O no hydrogen 2.824 N/A SER 169.A N THR 153.A O no hydrogen 2.865 N/A ILE 170.A N ARG 179.A O no hydrogen 2.783 N/A ARG 171.A N ILE 151.A O no hydrogen 3.142 N/A ASN 172.A N ASN 177.A OD1 no hydrogen 3.328 N/A THR 173.A N ASN 149.A O no hydrogen 2.822 N/A THR 173.A OG1 ASN 149.A O no hydrogen 3.197 N/A LYS 174.A NZ ASN 149.A OD1 no hydrogen 2.962 N/A LYS 174.A NZ THR 173.A OG1 no hydrogen 3.125 N/A ARG 179.A N ILE 170.A O no hydrogen 2.883 N/A ARG 179.A NE GLN 176.A O no hydrogen 3.265 N/A ARG 179.A NH1 TRP 114.A O no hydrogen 2.756 N/A ARG 179.A NH2 GLN 176.A O no hydrogen 3.200 N/A VAL 181.A N PHE 168.A O no hydrogen 3.060 N/A ILE 182.A N GLY 119.A O no hydrogen 2.847 N/A GLN 183.A N ARG 166.A O no hydrogen 2.787 N/A GLN 183.A NE2 TYR 138.A OH no hydrogen 2.874 N/A TYR 184.A N ILE 121.A O no hydrogen 2.773 N/A HIS 185.A N THR 164.A O no hydrogen 2.736 N/A HIS 185.A NE2 THR 125.A O no hydrogen 2.733 N/A TYR 186.A N MET 123.A O no hydrogen 2.866 N/A THR 187.A N CYS 162.A O no hydrogen 2.985 N/A THR 187.A OG1 CYS 162.A O no hydrogen 3.055 N/A TRP 189.A NE1 TYR 186.A O no hydrogen 2.805 N/A LEU 202.A N ALA 198.A O no hydrogen 2.872 N/A THR 203.A N LEU 199.A O no hydrogen 3.076 N/A THR 203.A OG1 LEU 199.A O no hydrogen 3.108 N/A PHE 204.A N PRO 200.A O no hydrogen 3.017 N/A VAL 205.A N VAL 201.A O no hydrogen 2.811 N/A ARG 206.A N LEU 202.A O no hydrogen 2.988 N/A ARG 207.A N THR 203.A O no hydrogen 2.918 N/A ARG 207.A NH2 TYR 163.A OH no hydrogen 3.078 N/A SER 208.A N PHE 204.A O no hydrogen 2.950 N/A SER 208.A OG PHE 204.A O no hydrogen 2.585 N/A SER 208.A OG VAL 205.A O no hydrogen 3.320 N/A SER 208.A OG TYR 233.A OH no hydrogen 2.683 N/A SER 209.A N VAL 205.A O no hydrogen 2.891 N/A SER 209.A OG ASP 237.A OD1 no hydrogen 2.730 N/A ALA 210.A N ARG 206.A O no hydrogen 3.038 N/A ARG 212.A N SER 209.A O no hydrogen 3.257 N/A ARG 212.A NH1 ALA 94.A O no hydrogen 2.825 N/A ARG 212.A NH2 ALA 94.A O no hydrogen 2.995 N/A THR 216.A OG1 MET 213.A O no hydrogen 2.554 N/A GLY 217.A N ASN 117.A O no hydrogen 2.779 N/A VAL 219.A N ALA 94.A O no hydrogen 3.057 N/A LEU 220.A N ILE 120.A O no hydrogen 3.012 N/A VAL 221.A N ILE 96.A O no hydrogen 2.789 N/A HIS 222.A N ILE 122.A O no hydrogen 2.845 N/A HIS 222.A ND1 CYS 223.A O no hydrogen 2.966 N/A HIS 222.A NE2 TYR 138.A OH no hydrogen 2.813 N/A CYS 223.A SG THR 230.A OG1 no hydrogen 3.309 N/A SER 224.A OG TYR 56.A OH no hydrogen 2.702 N/A SER 224.A OG LYS 134.A O no hydrogen 2.582 N/A ARG 229.A NH1 ILE 124.A O no hydrogen 3.306 N/A ARG 229.A NH1 GLU 129.A OE1 no hydrogen 3.126 N/A ARG 229.A NH1 GLU 129.A OE2 no hydrogen 2.892 N/A ARG 229.A NH2 GLU 129.A OE1 no hydrogen 2.845 N/A GLY 231.A N VAL 227.A O no hydrogen 3.074 N/A THR 232.A N GLY 228.A O no hydrogen 3.111 N/A THR 232.A OG1 GLY 228.A O no hydrogen 2.772 N/A TYR 233.A N ARG 229.A O no hydrogen 2.894 N/A TYR 233.A OH SER 208.A OG no hydrogen 2.683 N/A ILE 234.A N THR 230.A O no hydrogen 3.065 N/A VAL 235.A N GLY 231.A O no hydrogen 2.853 N/A ILE 236.A N THR 232.A O no hydrogen 2.990 N/A ASP 237.A N TYR 233.A O no hydrogen 2.860 N/A SER 238.A N ILE 234.A O no hydrogen 3.086 N/A SER 238.A OG ILE 234.A O no hydrogen 2.778 N/A MET 239.A N VAL 235.A O no hydrogen 2.871 N/A LEU 240.A N ILE 236.A O no hydrogen 2.854 N/A GLN 241.A N ASP 237.A O no hydrogen 3.113 N/A GLN 241.A NE2 ASP 237.A O no hydrogen 3.679 N/A GLN 241.A NE2 ASP 237.A OD1 no hydrogen 2.934 N/A GLN 242.A N SER 238.A O no hydrogen 2.895 N/A GLN 242.A NE2 THR 248.A OG1 no hydrogen 2.884 N/A ILE 243.A N MET 239.A O no hydrogen 2.955 N/A LYS 244.A N LEU 240.A O no hydrogen 3.153 N/A ASP 245.A N GLN 241.A O no hydrogen 3.140 N/A LYS 246.A N GLN 242.A O no hydrogen 2.751 N/A LYS 246.A NZ ASP 245.A O no hydrogen 3.068 N/A SER 247.A N ILE 243.A O no hydrogen 2.837 N/A SER 247.A OG ILE 243.A O no hydrogen 3.453 N/A VAL 249.A N ILE 4.A O no hydrogen 2.878 N/A PHE 254.A N ASN 250.A O no hydrogen 2.884 N/A LEU 255.A N VAL 251.A O no hydrogen 2.865 N/A LYS 256.A N LEU 252.A O no hydrogen 2.891 N/A LYS 256.A NZ GLU 30.A OE2 no hydrogen 2.706 N/A HIS 257.A N GLY 253.A O no hydrogen 3.157 N/A HIS 257.A NE2 ASP 87.A OD2 no hydrogen 2.739 N/A ILE 258.A N PHE 254.A O no hydrogen 2.961 N/A ARG 259.A N LEU 255.A O no hydrogen 2.976 N/A ARG 259.A NE LEU 265.A O no hydrogen 2.707 N/A ARG 259.A NH1 GLN 32.A OE1 no hydrogen 3.159 N/A ARG 259.A NH2 GLN 32.A OE1 no hydrogen 3.110 N/A ARG 259.A NH2 LEU 265.A O no hydrogen 3.341 N/A ARG 259.A NH2 VAL 266.A O no hydrogen 2.781 N/A THR 260.A N HIS 257.A O no hydrogen 3.207 N/A THR 260.A OG1 HIS 257.A O no hydrogen 2.594 N/A GLN 261.A N ILE 258.A O no hydrogen 2.900 N/A GLN 261.A NE2 ASP 87.A OD2 no hydrogen 2.835 N/A ARG 262.A N ILE 258.A O no hydrogen 3.345 N/A ARG 262.A NE GLY 226.A O no hydrogen 2.902 N/A ARG 262.A NH1 ASN 82.A OD1 no hydrogen 2.695 N/A ARG 262.A NH1 ASN 84.A OD1 no hydrogen 2.843 N/A ARG 262.A NH2 ASN 82.A OD1 no hydrogen 2.970 N/A ARG 262.A NH2 ALA 225.A O no hydrogen 2.851 N/A ASN 263.A ND2 ASN 263.A O no hydrogen 2.699 N/A VAL 266.A N VAL 227.A O no hydrogen 2.963 N/A GLN 267.A N GLN 271.A OE1 no hydrogen 2.946 N/A THR 268.A N GLN 271.A OE1 no hydrogen 3.186 N/A GLN 271.A N THR 268.A OG1 no hydrogen 3.223 N/A TYR 272.A N THR 268.A O no hydrogen 3.083 N/A TYR 272.A OH ASP 27.A OD2 no hydrogen 2.751 N/A ILE 273.A N GLU 269.A O no hydrogen 2.837 N/A PHE 274.A N GLU 270.A O no hydrogen 2.784 N/A ILE 275.A N GLN 271.A O no hydrogen 3.040 N/A HIS 276.A ND1 TYR 272.A O no hydrogen 2.836 N/A ASP 277.A N ILE 273.A O no hydrogen 3.043 N/A ALA 278.A N PHE 274.A O no hydrogen 2.882 N/A LEU 279.A N ILE 275.A O no hydrogen 2.900 N/A LEU 280.A N HIS 276.A O no hydrogen 2.890 N/A GLU 281.A N ASP 277.A O no hydrogen 3.083 N/A ALA 282.A N ALA 278.A O no hydrogen 3.137 N/A ILE 283.A N LEU 279.A O no hydrogen 3.036 N/A LEU 284.A N LEU 280.A O no hydrogen 2.875 N/A GLY 285.A N GLU 281.A O no hydrogen 2.813 N/A LYS 286.A N LEU 284.A O no hydrogen 2.503 N/A