Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ALA 1.A O no hydrogen 3.312 N/A SER 6.A N ALA 291.A O no hydrogen 2.759 N/A SER 6.A OG ALA 287.A O no hydrogen 3.017 N/A SER 6.A OG ILE 290.A O no hydrogen 2.871 N/A SER 6.A OG ALA 291.A O no hydrogen 3.365 N/A SER 6.A OG SER 293.A OG no hydrogen 3.264 N/A ASN 11.A N SER 8.A OG no hydrogen 3.107 N/A LEU 12.A N SER 8.A O no hydrogen 3.038 N/A LEU 13.A N ILE 9.A O no hydrogen 2.890 N/A LYS 14.A N PRO 10.A O no hydrogen 2.948 N/A LYS 14.A NZ PRO 10.A O no hydrogen 3.155 N/A ARG 15.A N ASN 11.A O no hydrogen 2.746 N/A ARG 15.A NH1 ASP 274.A OD1 no hydrogen 3.157 N/A ARG 15.A NH2 ASP 274.A OD1 no hydrogen 2.937 N/A ARG 15.A NH2 VAL 289.A O no hydrogen 2.916 N/A ALA 16.A N LEU 12.A O no hydrogen 3.106 N/A ALA 17.A N LEU 13.A O no hydrogen 3.427 N/A ILE 18.A N LYS 14.A O no hydrogen 3.131 N/A MET 19.A N ARG 15.A O no hydrogen 2.936 N/A ALA 20.A N ALA 16.A O no hydrogen 2.941 N/A GLU 21.A N ALA 17.A O no hydrogen 2.829 N/A ILE 22.A N ILE 18.A O no hydrogen 2.817 N/A ARG 23.A N MET 19.A O no hydrogen 3.038 N/A ARG 23.A NE GLU 33.A OE1 no hydrogen 2.873 N/A ARG 23.A NE GLU 33.A OE2 no hydrogen 3.501 N/A ARG 23.A NH1 GLU 33.A OE2 no hydrogen 3.045 N/A ARG 24.A N ALA 20.A O no hydrogen 2.958 N/A PHE 25.A N GLU 21.A O no hydrogen 3.042 N/A PHE 26.A N ILE 22.A O no hydrogen 3.202 N/A ALA 27.A N ARG 23.A O no hydrogen 2.891 N/A ASP 28.A N ARG 24.A O no hydrogen 2.782 N/A ARG 29.A N PHE 26.A O no hydrogen 2.991 N/A ARG 29.A NH1 ASP 129.A OD1 no hydrogen 3.285 N/A ARG 29.A NH2 GLU 126.A OE1 no hydrogen 2.940 N/A GLY 30.A N ALA 27.A O no hydrogen 2.956 N/A VAL 31.A N PHE 26.A O no hydrogen 2.952 N/A LEU 32.A N PRO 87.A O no hydrogen 3.084 N/A VAL 34.A N PHE 89.A O no hydrogen 2.970 N/A THR 36.A OG1 GLN 90.A OE1 no hydrogen 2.875 N/A CYS 38.A SG ARG 93.A O no hydrogen 3.932 N/A SER 40.A N TRP 68.A O no hydrogen 2.821 N/A SER 40.A OG ALA 42.A O no hydrogen 3.101 N/A ALA 42.A N SER 40.A OG no hydrogen 3.033 N/A VAL 44.A N THR 43.A OG1 no hydrogen 2.605 N/A THR 45.A OG1 ASP 237.A OD2 no hydrogen 2.695 N/A HIS 48.A N ASP 46.A OD2 no hydrogen 3.177 N/A LEU 49.A N ASP 46.A O no hydrogen 3.233 N/A THR 54.A N LEU 67.A O no hydrogen 2.892 N/A ARG 55.A NH1 GLN 63.A O no hydrogen 2.627 N/A ARG 55.A NH2 ASN 66.A OD1 no hydrogen 3.052 N/A PHE 56.A N MET 65.A O no hydrogen 2.733 N/A SER 62.A N PRO 59.A O no hydrogen 2.942 N/A SER 62.A OG PRO 59.A O no hydrogen 2.822 N/A GLY 64.A N SER 62.A OG no hydrogen 3.185 N/A MET 65.A N PHE 56.A O no hydrogen 2.839 N/A LEU 67.A N THR 54.A O no hydrogen 2.745 N/A TRP 68.A N SER 40.A O no hydrogen 2.819 N/A LEU 69.A N PHE 52.A O no hydrogen 3.118 N/A MET 70.A N CYS 38.A O no hydrogen 2.696 N/A SER 72.A OG GLU 112.A OE2 no hydrogen 2.562 N/A GLU 74.A N SER 72.A OG no hydrogen 3.232 N/A MET 77.A N PRO 73.A O no hydrogen 3.075 N/A LYS 78.A N GLU 74.A O no hydrogen 2.874 N/A LYS 78.A NZ GLU 74.A OE2 no hydrogen 2.808 N/A LYS 78.A NZ GLU 223.A OE1 no hydrogen 2.608 N/A ARG 79.A N TYR 75.A O no hydrogen 3.133 N/A LEU 80.A N HIS 76.A O no hydrogen 2.971 N/A LEU 81.A N MET 77.A O no hydrogen 2.958 N/A VAL 82.A N LYS 78.A O no hydrogen 3.094 N/A ALA 83.A N ARG 79.A O no hydrogen 3.086 N/A GLY 84.A N LEU 81.A O no hydrogen 2.908 N/A CYS 85.A N LEU 80.A O no hydrogen 3.132 N/A CYS 85.A SG GLY 86.A O no hydrogen 3.239 N/A VAL 88.A N TYR 114.A O no hydrogen 3.316 N/A PHE 89.A N LEU 32.A O no hydrogen 2.869 N/A GLN 90.A N GLU 112.A O no hydrogen 2.909 N/A CYS 92.A N MET 110.A O no hydrogen 3.140 N/A CYS 92.A SG SER 94.A OG no hydrogen 3.583 N/A ARG 93.A NH2 GLU 107.A OE1 no hydrogen 2.822 N/A SER 94.A N PHE 108.A O no hydrogen 2.754 N/A PHE 95.A N MET 70.A O no hydrogen 2.827 N/A ARG 96.A N PRO 106.A O no hydrogen 2.828 N/A ARG 96.A NE THR 71.A O no hydrogen 2.980 N/A ARG 96.A NH1 THR 71.A O no hydrogen 2.887 N/A ASN 97.A N VAL 50.A O no hydrogen 2.848 N/A GLU 98.A N ARG 96.A O no hydrogen 2.788 N/A GLY 101.A N HIS 104.A O no hydrogen 2.822 N/A ARG 102.A NE GLU 284.A O no hydrogen 3.267 N/A ARG 102.A NH2 GLU 284.A OE1 no hydrogen 3.545 N/A HIS 104.A N GLY 101.A O no hydrogen 3.347 N/A ASN 105.A ND2 GLU 107.A O no hydrogen 2.716 N/A PHE 108.A N SER 94.A O no hydrogen 3.041 N/A THR 109.A N ASP 274.A OD2 no hydrogen 2.673 N/A MET 110.A N CYS 92.A O no hydrogen 2.878 N/A LEU 111.A N LEU 271.A O no hydrogen 2.809 N/A GLU 112.A N GLN 90.A O no hydrogen 3.038 N/A TRP 113.A N VAL 269.A O no hydrogen 2.940 N/A TRP 113.A NE1 GLU 126.A OE2 no hydrogen 2.763 N/A TYR 114.A N VAL 88.A O no hydrogen 2.915 N/A TYR 114.A OH GLU 112.A OE1 no hydrogen 2.494 N/A ARG 115.A N SER 267.A O no hydrogen 2.734 N/A ARG 115.A NE GLU 126.A OE1 no hydrogen 3.382 N/A ARG 115.A NE GLU 126.A OE2 no hydrogen 2.903 N/A ARG 115.A NH2 GLU 126.A OE1 no hydrogen 2.717 N/A HIS 117.A N ASP 265.A O no hydrogen 2.729 N/A TYR 118.A N ARG 115.A O no hydrogen 3.355 N/A ARG 122.A N ASP 119.A OD1 no hydrogen 2.895 N/A LEU 123.A N ASP 119.A O no hydrogen 3.196 N/A MET 124.A N MET 120.A O no hydrogen 2.956 N/A ASN 125.A N TYR 121.A O no hydrogen 2.928 N/A GLU 126.A N ARG 122.A O no hydrogen 3.249 N/A VAL 127.A N LEU 123.A O no hydrogen 3.038 N/A ASP 128.A N MET 124.A O no hydrogen 2.818 N/A ASP 129.A N ASN 125.A O no hydrogen 2.905 N/A LEU 130.A N GLU 126.A O no hydrogen 2.976 N/A LEU 131.A N VAL 127.A O no hydrogen 2.923 N/A GLN 132.A N ASP 128.A O no hydrogen 2.990 N/A GLN 132.A NE2 ASP 128.A O no hydrogen 3.535 N/A GLN 132.A NE2 ASP 128.A OD2 no hydrogen 3.068 N/A GLN 133.A N ASP 129.A O no hydrogen 3.108 N/A VAL 134.A N LEU 130.A O no hydrogen 2.952 N/A LEU 135.A N LEU 131.A O no hydrogen 2.800 N/A ASP 136.A N GLN 132.A O no hydrogen 2.695 N/A CYS 137.A SG LEU 131.A O no hydrogen 3.565 N/A CYS 137.A SG PRO 138.A O no hydrogen 3.689 N/A ALA 140.A N ASP 128.A OD1 no hydrogen 3.428 N/A ALA 140.A N ASP 128.A OD2 no hydrogen 2.832 N/A GLU 141.A N PRO 181.A O no hydrogen 3.009 N/A LEU 143.A N PHE 183.A O no hydrogen 2.768 N/A TYR 145.A N TYR 185.A O no hydrogen 2.635 N/A GLN 147.A N SER 144.A OG no hydrogen 2.789 N/A ALA 148.A N SER 144.A O no hydrogen 2.766 N/A PHE 149.A N TYR 145.A O no hydrogen 3.074 N/A PHE 149.A N GLN 146.A O no hydrogen 2.997 N/A LEU 150.A N GLN 146.A O no hydrogen 2.788 N/A ARG 151.A N GLN 147.A O no hydrogen 3.198 N/A TYR 152.A N ALA 148.A O no hydrogen 3.263 N/A LEU 153.A N PHE 149.A O no hydrogen 2.887 N/A LEU 158.A N ASP 156.A OD2 no hydrogen 3.075 N/A SER 159.A N ASP 156.A O no hydrogen 3.054 N/A GLN 165.A N ASP 161.A O no hydrogen 3.257 N/A LEU 166.A N THR 162.A O no hydrogen 3.162 N/A LEU 166.A N LEU 163.A O no hydrogen 2.635 N/A LEU 167.A N LEU 163.A O no hydrogen 2.784 N/A PHE 168.A N LEU 164.A O no hydrogen 2.607 N/A THR 169.A N GLN 165.A O no hydrogen 3.172 N/A THR 169.A OG1 GLN 165.A O no hydrogen 2.785 N/A THR 169.A OG1 GLU 173.A OE2 no hydrogen 3.537 N/A PHE 170.A N LEU 166.A O no hydrogen 3.262 N/A GLY 171.A N LEU 167.A O no hydrogen 2.446 N/A VAL 172.A N PHE 168.A O no hydrogen 2.868 N/A GLU 173.A N PHE 168.A O no hydrogen 2.876 N/A ASN 175.A N VAL 172.A O no hydrogen 2.918 N/A ILE 176.A N GLU 173.A O no hydrogen 3.334 N/A GLY 177.A N THR 182.A OG1 no hydrogen 2.646 N/A LYS 178.A NZ ASN 175.A O no hydrogen 3.189 N/A THR 182.A N TYR 211.A O no hydrogen 2.664 N/A THR 182.A OG1 GLU 141.A OE2 no hydrogen 2.768 N/A PHE 183.A N GLU 141.A O no hydrogen 2.837 N/A VAL 184.A N GLU 209.A O no hydrogen 2.918 N/A TYR 185.A N LEU 143.A O no hydrogen 2.909 N/A HIS 186.A N ARG 207.A O no hydrogen 2.938 N/A ALA 189.A N ARG 203.A O no hydrogen 2.951 N/A SER 190.A OG ASP 161.A OD2 no hydrogen 2.389 N/A GLN 191.A N PRO 188.A O no hydrogen 2.677 N/A ALA 192.A N ALA 189.A O no hydrogen 3.187 N/A ALA 195.A N ALA 192.A O no hydrogen 2.742 N/A GLN 196.A N HIS 222.A O no hydrogen 3.003 N/A SER 198.A N VAL 204.A O no hydrogen 2.802 N/A THR 199.A OG1 GLU 200.A OE1 no hydrogen 2.821 N/A GLU 200.A N SER 198.A OG no hydrogen 3.054 N/A ASP 201.A N SER 198.A OG no hydrogen 3.059 N/A ARG 203.A N ASP 201.A OD1 no hydrogen 2.956 N/A ARG 203.A NE ASP 201.A OD1 no hydrogen 2.979 N/A ARG 203.A NH1 LEU 158.A O no hydrogen 3.480 N/A ARG 203.A NH2 ASP 201.A OD2 no hydrogen 2.800 N/A VAL 204.A N ASP 201.A O no hydrogen 3.009 N/A ALA 205.A N PHE 187.A O no hydrogen 2.837 N/A GLU 206.A N GLN 196.A O no hydrogen 2.805 N/A ARG 207.A N ALA 205.A O no hydrogen 2.855 N/A ARG 207.A NE ASN 219.A OD1 no hydrogen 2.835 N/A ARG 207.A NH1 GLN 191.A O no hydrogen 2.889 N/A ARG 207.A NH2 ASN 219.A OD1 no hydrogen 3.529 N/A PHE 208.A N GLY 220.A O no hydrogen 2.852 N/A GLU 209.A N VAL 184.A O no hydrogen 3.012 N/A VAL 210.A N ALA 218.A O no hydrogen 3.137 N/A TYR 211.A N THR 182.A O no hydrogen 2.843 N/A TYR 211.A OH GLU 209.A OE1 no hydrogen 2.500 N/A TYR 212.A N ILE 215.A O no hydrogen 3.015 N/A LYS 213.A N GLY 177.A O no hydrogen 2.782 N/A ILE 215.A N TYR 212.A O no hydrogen 2.809 N/A LEU 217.A N VAL 210.A O no hydrogen 2.911 N/A ASN 219.A N ALA 270.A O no hydrogen 3.009 N/A GLY 220.A N PHE 208.A O no hydrogen 2.810 N/A PHE 221.A N GLY 268.A O no hydrogen 2.849 N/A HIS 222.A N GLU 206.A O no hydrogen 2.868 N/A HIS 222.A ND1 GLU 206.A OE1 no hydrogen 2.537 N/A HIS 222.A NE2 ASP 265.A OD1 no hydrogen 2.579 N/A GLU 223.A N CYS 266.A O no hydrogen 2.853 N/A LEU 224.A N LEU 194.A O no hydrogen 3.022 N/A GLU 229.A N ASP 226.A OD2 no hydrogen 2.632 N/A GLN 230.A N ASP 226.A O no hydrogen 3.003 N/A GLN 230.A NE2 GLN 230.A O no hydrogen 3.026 N/A GLN 231.A N ALA 227.A O no hydrogen 3.003 N/A GLN 232.A N ARG 228.A O no hydrogen 3.056 N/A ARG 233.A N GLU 229.A O no hydrogen 3.053 N/A ARG 233.A NH1 SER 193.A O no hydrogen 2.815 N/A ARG 233.A NH1 ALA 195.A O no hydrogen 2.660 N/A ARG 233.A NH2 ALA 195.A O no hydrogen 2.926 N/A ARG 233.A NH2 GLU 229.A OE1 no hydrogen 2.897 N/A PHE 234.A N GLN 230.A O no hydrogen 3.079 N/A GLU 235.A N GLN 231.A O no hydrogen 3.065 N/A GLN 236.A N GLN 232.A O no hydrogen 2.929 N/A ASP 237.A N ARG 233.A O no hydrogen 2.743 N/A ASN 238.A N PHE 234.A O no hydrogen 2.990 N/A ASN 238.A ND2 HIS 249.A O no hydrogen 2.733 N/A ARG 239.A N GLU 235.A O no hydrogen 3.004 N/A LYS 240.A N GLN 236.A O no hydrogen 3.078 N/A ARG 241.A N ASP 237.A O no hydrogen 2.994 N/A ARG 241.A NE THR 45.A O no hydrogen 2.786 N/A ARG 241.A NH1 PRO 247.A O no hydrogen 2.845 N/A ARG 241.A NH2 ASP 46.A O no hydrogen 2.866 N/A ARG 241.A NH2 LEU 49.A O no hydrogen 2.891 N/A ALA 242.A N ASN 238.A O no hydrogen 2.948 N/A ALA 243.A N ARG 239.A O no hydrogen 2.892 N/A ARG 244.A N LYS 240.A O no hydrogen 2.883 N/A ARG 244.A N ARG 241.A O no hydrogen 3.019 N/A GLY 245.A N ALA 242.A O no hydrogen 3.093 N/A LEU 246.A N ARG 241.A O no hydrogen 2.703 N/A HIS 249.A N ASN 238.A OD1 no hydrogen 2.905 N/A LEU 255.A N ASP 252.A OD1 no hydrogen 3.079 N/A ILE 256.A N ASP 252.A O no hydrogen 3.395 N/A GLU 257.A N GLN 253.A O no hydrogen 2.851 N/A ALA 258.A N ASN 254.A O no hydrogen 3.000 N/A LEU 259.A N LEU 255.A O no hydrogen 2.909 N/A LYS 260.A N ILE 256.A O no hydrogen 2.915 N/A VAL 261.A N GLU 257.A O no hydrogen 3.287 N/A GLY 262.A N ALA 258.A O no hydrogen 3.064 N/A CYS 266.A SG PRO 264.A O no hydrogen 3.510 N/A SER 267.A N ARG 115.A O no hydrogen 3.108 N/A SER 267.A OG TYR 118.A O no hydrogen 2.560 N/A GLY 268.A N PHE 221.A O no hydrogen 2.906 N/A VAL 269.A N TRP 113.A O no hydrogen 2.896 N/A ALA 270.A N ASN 219.A O no hydrogen 2.992 N/A LEU 271.A N LEU 111.A O no hydrogen 2.674 N/A GLY 272.A N LEU 217.A O no hydrogen 2.920 N/A VAL 273.A N THR 109.A O no hydrogen 2.934 N/A ARG 275.A NE TYR 103.A O no hydrogen 2.938 N/A ARG 275.A NH1 GLU 216.A O no hydrogen 2.874 N/A ARG 275.A NH2 TYR 103.A O no hydrogen 2.874 N/A LEU 276.A N GLY 272.A O no hydrogen 3.091 N/A VAL 277.A N VAL 273.A O no hydrogen 2.859 N/A MET 278.A N ASP 274.A O no hydrogen 2.897 N/A LEU 279.A N ARG 275.A O no hydrogen 3.103 N/A ALA 280.A N LEU 276.A O no hydrogen 2.937 N/A LEU 281.A N VAL 277.A O no hydrogen 2.889 N/A GLY 282.A N LEU 279.A O no hydrogen 3.081 N/A ALA 283.A N MET 278.A O no hydrogen 2.839 N/A GLU 284.A N GLU 288.A OE2 no hydrogen 2.941 N/A LEU 286.A N ARG 102.A O no hydrogen 2.946 N/A GLU 288.A N THR 285.A O no hydrogen 3.138 N/A VAL 289.A N LEU 286.A O no hydrogen 2.863 N/A SER 293.A N SER 6.A OG no hydrogen 2.832 N/A SER 293.A OG SER 6.A OG no hydrogen 3.264 N/A SER 293.A OG ASP 295.A OD1 no hydrogen 2.526 N/A VAL 294.A N ASN 105.A OD1 no hydrogen 3.163 N/A ARG 296.A N SER 293.A O no hydrogen 2.844 N/A ARG 296.A NH1 ALA 1.A O no hydrogen 2.841 N/A ARG 296.A NH1 GLN 4.A O no hydrogen 2.919 N/A ALA 297.A N SER 293.A O no hydrogen 3.017 N/A ALA 297.A N VAL 294.A O no hydrogen 3.291 N/A