Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASP 134.A OD1 no hydrogen 2.851 N/A TYR 4.A N MET 135.A O no hydrogen 2.805 N/A THR 5.A N GLU 56.A O no hydrogen 2.987 N/A THR 5.A OG1 GLY 41.A O no hydrogen 3.395 N/A THR 5.A OG1 SER 45.A OG no hydrogen 2.755 N/A ILE 6.A N VAL 137.A O no hydrogen 2.845 N/A THR 7.A N LEU 58.A O no hydrogen 2.831 N/A ASN 9.A ND2 ALA 110.A O no hydrogen 2.904 N/A ALA 11.A N GLY 38.A O no hydrogen 3.019 N/A ILE 12.A N ARG 91.A O no hydrogen 2.967 N/A ASP 13.A N ASP 36.A O no hydrogen 2.689 N/A ARG 14.A N CYS 93.A O no hydrogen 2.840 N/A ARG 14.A NE GLU 92.A OE2 no hydrogen 2.743 N/A ARG 14.A NH2 GLU 92.A OE1 no hydrogen 3.448 N/A ARG 14.A NH2 GLU 92.A OE2 no hydrogen 3.071 N/A LEU 15.A N GLU 34.A O no hydrogen 2.657 N/A LEU 16.A N VAL 95.A O no hydrogen 2.761 N/A PHE 17.A N LYS 32.A O no hydrogen 2.994 N/A ILE 18.A N LEU 97.A O no hydrogen 2.893 N/A GLY 20.A N ASP 100.A OD2 no hydrogen 2.979 N/A GLU 23.A N ASN 28.A OD1 no hydrogen 2.844 N/A ASN 28.A ND2 GLU 23.A O no hydrogen 2.844 N/A ILE 31.A N PHE 17.A O no hydrogen 2.703 N/A LYS 32.A NZ GLU 34.A OE2 no hydrogen 3.129 N/A GLU 34.A N LEU 15.A O no hydrogen 2.953 N/A ASP 36.A N ASP 13.A O no hydrogen 2.822 N/A CYS 37.A N ASP 36.A OD1 no hydrogen 2.804 N/A GLY 38.A N ALA 11.A O no hydrogen 2.572 N/A HIS 43.A N GLY 39.A O no hydrogen 3.233 N/A VAL 44.A N LYS 40.A O no hydrogen 2.924 N/A SER 45.A N GLY 41.A O no hydrogen 3.030 N/A SER 45.A OG THR 5.A OG1 no hydrogen 2.755 N/A GLY 46.A N LEU 42.A O no hydrogen 2.961 N/A VAL 47.A N HIS 43.A O no hydrogen 3.001 N/A LEU 48.A N VAL 44.A O no hydrogen 2.977 N/A SER 49.A N SER 45.A O no hydrogen 2.940 N/A SER 49.A OG SER 45.A O no hydrogen 3.232 N/A SER 49.A OG ASN 55.A OD1 no hydrogen 3.186 N/A SER 49.A OG HIS 77.A O no hydrogen 2.960 N/A LYS 50.A N GLY 46.A O no hydrogen 3.042 N/A LYS 50.A NZ PHE 291.A O no hydrogen 2.874 N/A PHE 51.A N VAL 47.A O no hydrogen 3.081 N/A GLY 52.A N SER 49.A O no hydrogen 2.857 N/A ILE 53.A N LEU 48.A O no hydrogen 2.923 N/A LYS 54.A NZ ASN 55.A O no hydrogen 3.323 N/A ASN 55.A ND2 SER 45.A O no hydrogen 3.651 N/A GLU 56.A N ILE 3.A O no hydrogen 2.905 N/A ALA 57.A N ASN 79.A O no hydrogen 2.892 N/A LEU 58.A N THR 5.A O no hydrogen 2.764 N/A ALA 61.A N LEU 83.A O no hydrogen 2.918 N/A GLY 62.A N THR 90.A OG1 no hydrogen 3.011 N/A SER 63.A N GLU 85.A O no hydrogen 2.950 N/A SER 63.A OG ASP 64.A OD1 no hydrogen 3.104 N/A SER 63.A OG GLU 85.A O no hydrogen 3.353 N/A ASP 64.A N THR 88.A O no hydrogen 2.806 N/A ASN 65.A ND2 THR 90.A O no hydrogen 2.843 N/A LEU 66.A N SER 63.A O no hydrogen 3.317 N/A LEU 69.A N ASN 65.A O no hydrogen 3.150 N/A TYR 70.A N LEU 66.A O no hydrogen 2.922 N/A ALA 71.A N ASP 67.A O no hydrogen 3.024 N/A ILE 72.A N LYS 68.A O no hydrogen 3.149 N/A LEU 73.A N LEU 69.A O no hydrogen 2.919 N/A LYS 74.A N TYR 70.A O no hydrogen 2.888 N/A GLU 75.A N ALA 71.A O no hydrogen 3.058 N/A LYS 76.A N ILE 72.A O no hydrogen 2.965 N/A LYS 76.A N LEU 73.A O no hydrogen 3.071 N/A HIS 77.A N LYS 74.A O no hydrogen 3.142 N/A ILE 78.A N LEU 73.A O no hydrogen 2.966 N/A ASP 81.A N ALA 57.A O no hydrogen 2.890 N/A LEU 83.A N GLY 59.A O no hydrogen 2.962 N/A GLU 85.A N ALA 61.A O no hydrogen 2.720 N/A GLY 87.A N SER 63.A OG no hydrogen 3.031 N/A THR 90.A N ASN 65.A OD1 no hydrogen 2.874 N/A ARG 91.A NE ASN 9.A O no hydrogen 3.083 N/A ARG 91.A NE PRO 10.A O no hydrogen 3.136 N/A ARG 91.A NH1 GLU 109.A O no hydrogen 3.072 N/A ARG 91.A NH2 ASN 9.A O no hydrogen 2.860 N/A GLU 92.A N GLU 109.A OE1 no hydrogen 2.902 N/A CYS 93.A N ILE 12.A O no hydrogen 3.054 N/A PHE 94.A N ILE 107.A O no hydrogen 3.006 N/A VAL 95.A N ARG 14.A O no hydrogen 2.876 N/A VAL 96.A N THR 105.A O no hydrogen 2.895 N/A LEU 97.A N LEU 16.A O no hydrogen 3.090 N/A SER 98.A OG ILE 18.A O no hydrogen 2.679 N/A SER 98.A OG GLY 20.A O no hydrogen 3.485 N/A ASP 100.A N SER 98.A OG no hydrogen 3.094 N/A THR 101.A N SER 98.A O no hydrogen 3.276 N/A GLY 103.A N ARG 245.A O no hydrogen 2.783 N/A SER 104.A OG THR 248.A OG1 no hydrogen 3.369 N/A THR 105.A N VAL 96.A O no hydrogen 2.929 N/A ILE 107.A N PHE 94.A O no hydrogen 2.755 N/A GLU 109.A N GLU 92.A O no hydrogen 2.913 N/A SER 115.A N GLU 85.A OE1 no hydrogen 3.060 N/A SER 115.A OG GLU 85.A OE1 no hydrogen 3.323 N/A SER 115.A OG GLU 85.A OE2 no hydrogen 3.111 N/A GLN 116.A NE2 ASP 120.A OD1 no hydrogen 2.993 N/A ASN 118.A N SER 115.A OG no hydrogen 3.077 N/A ASN 118.A ND2 VAL 84.A O no hydrogen 3.000 N/A ASN 118.A ND2 GLU 85.A OE1 no hydrogen 2.898 N/A LYS 119.A N SER 115.A O no hydrogen 2.926 N/A LYS 119.A NZ HIS 145.A O no hydrogen 3.114 N/A LYS 119.A NZ ASP 150.A OD2 no hydrogen 2.805 N/A ASP 120.A N GLN 116.A O no hydrogen 2.852 N/A ASN 121.A N THR 117.A O no hydrogen 2.890 N/A ASN 121.A ND2 ASN 118.A OD1 no hydrogen 3.191 N/A LEU 122.A N ASN 118.A O no hydrogen 2.930 N/A LEU 123.A N LYS 119.A O no hydrogen 3.250 N/A LYS 124.A N ASP 120.A O no hydrogen 2.928 N/A LYS 124.A NZ ASN 121.A OD1 no hydrogen 3.429 N/A GLN 125.A N ASN 121.A O no hydrogen 2.849 N/A GLN 125.A NE2 ASP 81.A O no hydrogen 3.012 N/A ILE 126.A N LEU 122.A O no hydrogen 3.025 N/A ALA 127.A N LEU 123.A O no hydrogen 3.090 N/A LYS 128.A N LYS 124.A O no hydrogen 2.882 N/A LYS 129.A N GLN 125.A O no hydrogen 2.923 N/A LYS 129.A NZ GLU 56.A OE2 no hydrogen 2.852 N/A LYS 129.A NZ ASP 81.A OD2 no hydrogen 2.792 N/A VAL 130.A N ILE 126.A O no hydrogen 3.014 N/A LYS 131.A N ASP 134.A OD2 no hydrogen 2.836 N/A LYS 131.A NZ LYS 128.A O no hydrogen 3.431 N/A LYS 131.A NZ LYS 129.A O no hydrogen 3.173 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.914 N/A ASP 134.A N LYS 131.A O no hydrogen 2.958 N/A MET 135.A N LEU 2.A O no hydrogen 3.022 N/A VAL 136.A N PHE 164.A O no hydrogen 2.756 N/A VAL 137.A N TYR 4.A O no hydrogen 2.785 N/A ILE 138.A N GLY 166.A O no hydrogen 2.827 N/A ALA 139.A N ILE 6.A O no hydrogen 3.227 N/A GLY 140.A N ASP 168.A O no hydrogen 2.940 N/A TYR 146.A N PRO 143.A O no hydrogen 3.168 N/A THR 147.A N ASP 150.A OD2 no hydrogen 2.954 N/A THR 147.A OG1 SER 149.A OG no hydrogen 3.107 N/A SER 149.A OG THR 147.A OG1 no hydrogen 3.107 N/A ASP 150.A N THR 147.A OG1 no hydrogen 3.148 N/A PHE 151.A N THR 147.A O no hydrogen 3.011 N/A LYS 152.A N LEU 148.A O no hydrogen 2.879 N/A GLU 153.A N SER 149.A O no hydrogen 2.931 N/A LEU 154.A N ASP 150.A O no hydrogen 3.026 N/A LEU 155.A N PHE 151.A O no hydrogen 2.908 N/A ARG 156.A N LYS 152.A O no hydrogen 3.005 N/A THR 157.A N GLU 153.A O no hydrogen 2.942 N/A THR 157.A OG1 GLU 153.A O no hydrogen 2.731 N/A VAL 158.A N LEU 154.A O no hydrogen 3.117 N/A LYS 159.A N LEU 155.A O no hydrogen 2.893 N/A LYS 159.A NZ MET 180.A O no hydrogen 2.821 N/A ALA 160.A N ARG 156.A O no hydrogen 2.937 N/A THR 161.A N VAL 158.A O no hydrogen 2.926 N/A THR 161.A OG1 VAL 158.A O no hydrogen 2.577 N/A GLY 162.A N LYS 159.A O no hydrogen 2.983 N/A ALA 163.A N THR 161.A OG1 no hydrogen 3.112 N/A PHE 164.A N ASP 134.A O no hydrogen 3.199 N/A LEU 165.A N ASP 183.A OD2 no hydrogen 2.798 N/A GLY 166.A N VAL 136.A O no hydrogen 2.825 N/A CYS 167.A N PHE 184.A O no hydrogen 2.799 N/A ASP 168.A N ILE 138.A O no hydrogen 2.815 N/A ASN 169.A ND2 ILE 138.A O no hydrogen 3.564 N/A TYR 173.A OH TYR 146.A O no hydrogen 2.957 N/A LEU 174.A N SER 170.A O no hydrogen 3.156 N/A ASN 175.A N GLY 171.A O no hydrogen 3.081 N/A LEU 176.A N GLU 172.A O no hydrogen 2.968 N/A ALA 177.A N TYR 173.A O no hydrogen 3.188 N/A VAL 178.A N LEU 174.A O no hydrogen 3.180 N/A GLU 179.A N ASN 175.A O no hydrogen 3.062 N/A MET 180.A N LEU 176.A O no hydrogen 2.933 N/A GLY 181.A N ALA 177.A O no hydrogen 3.106 N/A GLY 181.A N VAL 178.A O no hydrogen 3.229 N/A VAL 182.A N ALA 177.A O no hydrogen 3.199 N/A ASP 183.A N LEU 165.A O no hydrogen 2.752 N/A PHE 184.A N LEU 165.A O no hydrogen 3.280 N/A ASN 188.A N GLU 191.A OE1 no hydrogen 2.851 N/A GLU 191.A N ASN 188.A OD1 no hydrogen 2.842 N/A VAL 192.A N ASN 188.A O no hydrogen 3.024 N/A ILE 193.A N GLU 189.A O no hydrogen 3.093 N/A ALA 194.A N ASP 190.A O no hydrogen 2.901 N/A ILE 195.A N GLU 191.A O no hydrogen 2.827 N/A LEU 196.A N VAL 192.A O no hydrogen 3.186 N/A ASP 197.A N ALA 194.A O no hydrogen 3.242 N/A GLU 198.A N ILE 193.A O no hydrogen 3.321 N/A THR 200.A N GLU 198.A OE2 no hydrogen 2.886 N/A THR 200.A OG1 GLU 198.A OE2 no hydrogen 3.075 N/A ASN 201.A N GLU 198.A OE1 no hydrogen 2.811 N/A ASN 201.A N GLU 198.A OE2 no hydrogen 3.153 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.721 N/A GLU 205.A N SER 202.A OG no hydrogen 2.964 N/A ASN 206.A N SER 202.A O no hydrogen 3.065 N/A ILE 207.A N LEU 203.A O no hydrogen 2.912 N/A ARG 208.A N GLU 204.A O no hydrogen 2.991 N/A ARG 208.A NH2 LEU 308.A O no hydrogen 2.953 N/A THR 209.A N GLU 205.A O no hydrogen 3.030 N/A THR 209.A OG1 GLU 205.A O no hydrogen 2.944 N/A LEU 210.A N ASN 206.A O no hydrogen 2.857 N/A ALA 211.A N ILE 207.A O no hydrogen 2.845 N/A GLU 212.A N THR 209.A O no hydrogen 3.056 N/A LYS 213.A N LEU 210.A O no hydrogen 2.998 N/A LYS 213.A NZ VAL 178.A O no hydrogen 3.069 N/A LYS 213.A NZ GLU 179.A O no hydrogen 3.193 N/A ILE 214.A N LEU 210.A O no hydrogen 3.181 N/A TYR 216.A N ASP 183.A O no hydrogen 2.841 N/A LEU 217.A N ALA 229.A O no hydrogen 3.152 N/A VAL 218.A N ILE 185.A O no hydrogen 3.256 N/A VAL 219.A N ILE 227.A O no hydrogen 2.808 N/A SER 220.A N PRO 187.A O no hydrogen 2.975 N/A LEU 221.A N GLY 225.A O no hydrogen 2.812 N/A LYS 224.A N LEU 221.A O no hydrogen 3.254 N/A GLY 225.A N GLY 222.A O no hydrogen 3.486 N/A SER 226.A N VAL 237.A O no hydrogen 3.076 N/A ILE 227.A N VAL 219.A O no hydrogen 2.941 N/A CYS 228.A N TYR 235.A O no hydrogen 2.818 N/A CYS 228.A SG LEU 217.A O no hydrogen 3.500 N/A ALA 229.A N LEU 217.A O no hydrogen 2.845 N/A HIS 230.A N LYS 233.A O no hydrogen 3.058 N/A HIS 230.A ND1 PRO 215.A O no hydrogen 3.079 N/A LYS 233.A N HIS 230.A O no hydrogen 2.983 N/A TYR 235.A N CYS 228.A O no hydrogen 2.742 N/A GLN 236.A N ILE 306.A O no hydrogen 2.696 N/A VAL 237.A N SER 226.A O no hydrogen 2.777 N/A ILE 238.A N SER 304.A O no hydrogen 2.865 N/A ARG 245.A N VAL 283.A O no hydrogen 2.736 N/A ARG 245.A NE THR 101.A O no hydrogen 3.210 N/A ARG 245.A NE ASN 102.A OD1 no hydrogen 3.112 N/A ARG 245.A NH2 ASP 99.A O no hydrogen 2.678 N/A ARG 245.A NH2 THR 101.A O no hydrogen 2.766 N/A ASN 246.A N VAL 283.A O no hydrogen 2.962 N/A ASN 246.A ND2 SER 104.A OG no hydrogen 3.137 N/A ASN 246.A ND2 GLN 286.A O no hydrogen 2.716 N/A THR 248.A N ASN 246.A OD1 no hydrogen 3.096 N/A THR 248.A OG1 SER 104.A OG no hydrogen 3.369 N/A THR 248.A OG1 ASN 246.A OD1 no hydrogen 2.925 N/A ALA 250.A N ASP 247.A O no hydrogen 2.977 N/A VAL 253.A N GLY 249.A O no hydrogen 3.290 N/A PHE 254.A N ALA 250.A O no hydrogen 2.985 N/A VAL 255.A N GLY 251.A O no hydrogen 3.081 N/A GLY 256.A N ASP 252.A O no hydrogen 3.004 N/A ALA 257.A N VAL 253.A O no hydrogen 2.971 N/A PHE 258.A N PHE 254.A O no hydrogen 2.813 N/A ILE 259.A N VAL 255.A O no hydrogen 2.918 N/A ALA 260.A N GLY 256.A O no hydrogen 2.916 N/A GLY 261.A N ALA 257.A O no hydrogen 2.869 N/A LEU 262.A N PHE 258.A O no hydrogen 3.075 N/A ALA 263.A N ILE 259.A O no hydrogen 2.832 N/A MET 264.A N ALA 260.A O no hydrogen 2.854 N/A ASN 265.A N LEU 262.A O no hydrogen 3.010 N/A MET 266.A N GLY 261.A O no hydrogen 2.917 N/A THR 271.A N PRO 267.A O no hydrogen 2.929 N/A THR 271.A OG1 MET 266.A O no hydrogen 3.354 N/A THR 271.A OG1 PRO 267.A O no hydrogen 3.353 N/A LEU 272.A N ILE 268.A O no hydrogen 2.889 N/A LYS 273.A N THR 269.A O no hydrogen 3.076 N/A VAL 274.A N GLU 270.A O no hydrogen 2.909 N/A ALA 275.A N THR 271.A O no hydrogen 2.906 N/A THR 276.A N LEU 272.A O no hydrogen 2.987 N/A THR 276.A OG1 LEU 272.A O no hydrogen 2.669 N/A GLY 277.A N LYS 273.A O no hydrogen 2.841 N/A CYS 278.A N VAL 274.A O no hydrogen 2.960 N/A CYS 278.A SG VAL 274.A O no hydrogen 3.395 N/A SER 279.A N ALA 275.A O no hydrogen 2.986 N/A SER 279.A OG ALA 250.A O no hydrogen 3.190 N/A ALA 280.A N THR 276.A O no hydrogen 2.856 N/A SER 281.A N GLY 277.A O no hydrogen 3.029 N/A SER 281.A OG ASP 292.A O no hydrogen 3.252 N/A ALA 282.A N CYS 278.A O no hydrogen 2.990 N/A VAL 283.A N SER 279.A O no hydrogen 3.082 N/A MET 284.A N SER 281.A O no hydrogen 3.177 N/A GLN 285.A N ALA 282.A O no hydrogen 3.013 N/A SER 289.A OG ASP 36.A OD2 no hydrogen 2.571 N/A SER 290.A N ASP 287.A OD1 no hydrogen 3.259 N/A SER 290.A OG ASP 287.A OD1 no hydrogen 2.743 N/A SER 290.A OG ASP 287.A OD2 no hydrogen 3.001 N/A ASP 292.A N SER 281.A OG no hydrogen 2.757 N/A GLU 294.A N ASP 292.A OD1 no hydrogen 3.280 N/A ALA 295.A N ASP 292.A OD1 no hydrogen 3.374 N/A ALA 296.A N ASP 292.A O no hydrogen 2.772 N/A GLY 297.A N LEU 293.A O no hydrogen 3.080 N/A LYS 298.A N GLU 294.A O no hydrogen 3.360 N/A LEU 299.A N ALA 295.A O no hydrogen 2.904 N/A LYS 300.A N ALA 296.A O no hydrogen 2.844 N/A ASN 301.A N LYS 298.A O no hydrogen 3.072 N/A GLN 302.A N LEU 299.A O no hydrogen 2.986 N/A VAL 303.A N LYS 300.A O no hydrogen 3.333 N/A SER 304.A N ILE 238.A O no hydrogen 3.023 N/A ILE 306.A N GLN 236.A O no hydrogen 2.893 N/A LEU 308.A N LEU 234.A O no hydrogen 2.765 N/A