Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A OD2 no hydrogen 3.237 N/A MET 5.A N ASP 1.A O no hydrogen 3.048 N/A ILE 6.A N GLU 2.A O no hydrogen 3.072 N/A LYS 7.A N PHE 3.A O no hydrogen 2.851 N/A LYS 7.A NZ GLU 16.A OE2 no hydrogen 2.706 N/A ARG 8.A N GLU 4.A O no hydrogen 2.903 N/A ASN 9.A ND2 LYS 245.A O no hydrogen 3.610 N/A THR 10.A N LYS 7.A O no hydrogen 3.049 N/A THR 10.A OG1 LYS 7.A O no hydrogen 2.971 N/A SER 11.A N HIS 191.A O no hydrogen 2.703 N/A GLU 12.A N HIS 191.A O no hydrogen 3.270 N/A ILE 14.A N CYS 189.A O no hydrogen 2.824 N/A SER 15.A OG GLU 18.A OE2 no hydrogen 3.122 N/A GLU 18.A N SER 15.A OG no hydrogen 3.257 N/A LEU 19.A N SER 15.A O no hydrogen 2.944 N/A ARG 20.A N GLU 16.A O no hydrogen 2.959 N/A GLU 21.A N GLU 17.A O no hydrogen 3.087 N/A VAL 22.A N GLU 18.A O no hydrogen 2.959 N/A LEU 23.A N LEU 19.A O no hydrogen 3.001 N/A LYS 24.A N GLU 21.A O no hydrogen 3.221 N/A LYS 25.A N VAL 22.A O no hydrogen 3.288 N/A LYS 25.A NZ GLU 27.A O no hydrogen 3.556 N/A LYS 25.A NZ ASP 164.A OD2 no hydrogen 2.629 N/A LYS 28.A NZ LEU 23.A O no hydrogen 3.407 N/A LYS 28.A NZ LYS 25.A O no hydrogen 2.756 N/A SER 29.A N ASP 164.A OD1 no hydrogen 3.011 N/A ALA 30.A N ASP 60.A O no hydrogen 2.811 N/A ILE 31.A N VAL 165.A O no hydrogen 2.877 N/A ILE 32.A N ILE 62.A O no hydrogen 3.069 N/A PHE 34.A N LEU 64.A O no hydrogen 2.848 N/A SER 37.A N ASN 88.A OD1 no hydrogen 2.602 N/A SER 37.A OG LYS 39.A O no hydrogen 2.969 N/A SER 37.A OG SER 206.A OG no hydrogen 2.882 N/A HIS 41.A N HIS 44.A ND1 no hydrogen 3.085 N/A LEU 42.A N ILE 212.A O no hydrogen 3.109 N/A TYR 45.A N HIS 41.A O no hydrogen 3.020 N/A LEU 46.A N LEU 42.A O no hydrogen 2.823 N/A GLN 47.A N HIS 44.A O no hydrogen 2.900 N/A ILE 48.A N HIS 44.A O no hydrogen 3.043 N/A LYS 49.A N TYR 45.A O no hydrogen 2.869 N/A LYS 50.A N LEU 46.A O no hydrogen 3.087 N/A LYS 50.A NZ MET 5.A O no hydrogen 3.236 N/A LYS 50.A NZ ILE 6.A O no hydrogen 2.604 N/A LYS 50.A NZ ARG 8.A O no hydrogen 2.573 N/A LYS 50.A NZ ASP 53.A OD2 no hydrogen 2.788 N/A MET 51.A N GLN 47.A O no hydrogen 3.015 N/A ILE 52.A N ILE 48.A O no hydrogen 2.735 N/A ASP 53.A N LYS 49.A O no hydrogen 2.833 N/A LEU 54.A N LYS 50.A O no hydrogen 3.102 N/A GLN 55.A N MET 51.A O no hydrogen 2.854 N/A ASN 56.A N ILE 52.A O no hydrogen 2.828 N/A ALA 57.A N LEU 54.A O no hydrogen 2.923 N/A GLY 58.A N GLN 55.A O no hydrogen 2.815 N/A PHE 59.A N LEU 54.A O no hydrogen 3.011 N/A ASP 60.A N LYS 28.A O no hydrogen 2.742 N/A ILE 62.A N ALA 30.A O no hydrogen 2.910 N/A ILE 63.A N LYS 100.A O no hydrogen 2.924 N/A LEU 64.A N ILE 32.A O no hydrogen 2.903 N/A LEU 65.A N VAL 102.A O no hydrogen 2.668 N/A ALA 66.A N PHE 34.A O no hydrogen 2.719 N/A ASP 67.A N LEU 65.A O no hydrogen 2.702 N/A ALA 70.A N ALA 66.A O no hydrogen 2.959 N/A TYR 71.A N ASP 67.A O no hydrogen 2.816 N/A LEU 72.A N LEU 68.A O no hydrogen 2.790 N/A ASN 73.A N PHE 69.A O no hydrogen 2.799 N/A GLN 74.A N TYR 71.A O no hydrogen 2.991 N/A GLN 74.A NE2 ASP 140.A OD1 no hydrogen 2.889 N/A LYS 75.A N ALA 70.A O no hydrogen 2.944 N/A LYS 75.A NZ GLU 35.A OE1 no hydrogen 3.259 N/A LYS 75.A NZ ASN 73.A O no hydrogen 3.346 N/A LYS 75.A NZ ASN 73.A OD1 no hydrogen 3.297 N/A GLU 77.A N GLU 80.A OE2 no hydrogen 3.140 N/A ILE 81.A N GLU 77.A O no hydrogen 2.789 N/A ARG 82.A N LEU 78.A O no hydrogen 2.859 N/A ARG 82.A NH1 ASP 67.A OD2 no hydrogen 2.679 N/A LYS 83.A N ASP 79.A O no hydrogen 3.156 N/A ILE 84.A N GLU 80.A O no hydrogen 3.206 N/A GLY 85.A N ILE 81.A O no hydrogen 2.706 N/A ASP 86.A N LYS 83.A O no hydrogen 3.030 N/A TYR 87.A N LYS 83.A O no hydrogen 3.121 N/A ASN 88.A N ILE 84.A O no hydrogen 2.890 N/A ASN 88.A ND2 SER 37.A O no hydrogen 2.828 N/A LYS 89.A N GLY 85.A O no hydrogen 3.039 N/A LYS 89.A NZ GLU 93.A OE1 no hydrogen 3.475 N/A LYS 89.A NZ GLU 93.A OE2 no hydrogen 2.948 N/A LYS 90.A N ASP 86.A O no hydrogen 3.363 N/A VAL 91.A N TYR 87.A O no hydrogen 2.991 N/A PHE 92.A N ASN 88.A O no hydrogen 2.852 N/A GLU 93.A N LYS 89.A O no hydrogen 2.940 N/A ALA 94.A N LYS 90.A O no hydrogen 2.851 N/A MET 95.A N VAL 91.A O no hydrogen 2.983 N/A MET 95.A N PHE 92.A O no hydrogen 3.184 N/A GLY 96.A N GLU 93.A O no hydrogen 2.842 N/A LEU 97.A N PHE 92.A O no hydrogen 3.429 N/A LYS 100.A N ILE 61.A O no hydrogen 2.929 N/A VAL 102.A N ILE 63.A O no hydrogen 2.824 N/A GLY 104.A N LEU 65.A O no hydrogen 3.211 N/A SER 105.A N ASP 67.A OD1 no hydrogen 2.820 N/A SER 105.A OG ASP 67.A OD1 no hydrogen 3.391 N/A SER 105.A OG ASP 67.A OD2 no hydrogen 2.570 N/A SER 106.A N TYR 103.A O no hydrogen 3.160 N/A SER 106.A OG TYR 103.A O no hydrogen 2.728 N/A PHE 107.A N GLY 104.A O no hydrogen 2.949 N/A MET 108.A N GLY 104.A O no hydrogen 2.960 N/A ASP 110.A N PHE 107.A O no hydrogen 3.287 N/A TYR 113.A OH HIS 159.A NE2 no hydrogen 2.598 N/A THR 114.A N ASP 110.A O no hydrogen 2.765 N/A LEU 115.A N LYS 111.A O no hydrogen 2.941 N/A ASN 116.A N ASP 112.A O no hydrogen 3.142 N/A ASN 116.A ND2 ASP 112.A O no hydrogen 3.185 N/A VAL 117.A N TYR 113.A O no hydrogen 3.092 N/A TYR 118.A N THR 114.A O no hydrogen 3.120 N/A ARG 119.A N LEU 115.A O no hydrogen 2.857 N/A ARG 119.A NE ASN 116.A OD1 no hydrogen 3.051 N/A ARG 119.A NH2 ASN 116.A OD1 no hydrogen 2.660 N/A LEU 120.A N ASN 116.A O no hydrogen 2.851 N/A ALA 121.A N VAL 117.A O no hydrogen 2.808 N/A LEU 122.A N TYR 118.A O no hydrogen 3.251 N/A LEU 122.A N ARG 119.A O no hydrogen 3.226 N/A LYS 123.A N LEU 120.A O no hydrogen 2.946 N/A THR 124.A OG1 LEU 120.A O no hydrogen 2.700 N/A ARG 128.A N THR 125.A OG1 no hydrogen 2.769 N/A ARG 128.A NH2 GLU 181.A OE2 no hydrogen 3.309 N/A ALA 129.A N THR 125.A O no hydrogen 2.933 N/A ARG 130.A N LEU 126.A O no hydrogen 2.920 N/A ARG 130.A NE GLU 147.A OE2 no hydrogen 2.973 N/A ARG 130.A NH2 GLU 147.A OE2 no hydrogen 2.924 N/A ARG 131.A N LYS 127.A O no hydrogen 2.849 N/A SER 132.A N ARG 128.A O no hydrogen 2.829 N/A SER 132.A OG ALA 129.A O no hydrogen 2.695 N/A MET 133.A N ARG 130.A O no hydrogen 3.075 N/A GLU 134.A N ARG 131.A O no hydrogen 3.070 N/A ILE 136.A N MET 133.A O no hydrogen 2.842 N/A ALA 137.A N MET 133.A O no hydrogen 2.854 N/A ASN 142.A N ASP 140.A OD2 no hydrogen 3.006 N/A LYS 144.A NZ ASP 140.A OD1 no hydrogen 3.242 N/A LYS 144.A NZ ASP 140.A OD2 no hydrogen 3.420 N/A LYS 144.A NZ ASN 142.A O no hydrogen 2.619 N/A GLU 147.A N LYS 144.A O no hydrogen 3.012 N/A VAL 148.A N VAL 145.A O no hydrogen 3.016 N/A ILE 149.A N VAL 145.A O no hydrogen 3.316 N/A TYR 150.A N ALA 146.A O no hydrogen 3.116 N/A TYR 150.A OH GLU 35.A OE2 no hydrogen 2.590 N/A MET 153.A N ILE 149.A O no hydrogen 2.978 N/A GLN 154.A N TYR 150.A O no hydrogen 2.987 N/A GLN 154.A NE2 GLN 172.A OE1 no hydrogen 3.071 N/A GLN 154.A NE2 HIS 176.A NE2 no hydrogen 3.240 N/A VAL 155.A N ILE 152.A O no hydrogen 3.405 N/A ASN 156.A N MET 153.A O no hydrogen 3.076 N/A ASN 156.A ND2 TYR 113.A O no hydrogen 3.012 N/A LEU 158.A N ASN 156.A OD1 no hydrogen 3.145 N/A HIS 159.A N ASN 156.A O no hydrogen 3.061 N/A HIS 159.A NE2 TYR 113.A OH no hydrogen 2.598 N/A TYR 160.A N PRO 157.A O no hydrogen 3.058 N/A TYR 160.A OH GLN 154.A O no hydrogen 2.778 N/A VAL 163.A N TYR 160.A O no hydrogen 2.993 N/A ASP 164.A N SER 29.A O no hydrogen 3.109 N/A ALA 166.A N VAL 188.A O no hydrogen 2.720 N/A VAL 167.A N ILE 31.A O no hydrogen 2.871 N/A GLY 168.A N ILE 190.A O no hydrogen 2.921 N/A MET 170.A N ASN 192.A O no hydrogen 2.793 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.812 N/A GLN 172.A N GLY 169.A O no hydrogen 2.806 N/A GLN 172.A NE2 GLU 171.A OE2 no hydrogen 2.942 N/A ARG 173.A N MET 170.A O no hydrogen 3.012 N/A ARG 173.A NE GLU 12.A OE1 no hydrogen 2.766 N/A ARG 173.A NH2 GLU 12.A OE1 no hydrogen 3.205 N/A ARG 173.A NH2 GLU 12.A OE2 no hydrogen 3.208 N/A HIS 176.A N GLN 172.A O no hydrogen 3.046 N/A HIS 176.A ND1 HIS 191.A NE2 no hydrogen 2.686 N/A MET 177.A N ARG 173.A O no hydrogen 2.747 N/A LEU 178.A N LYS 174.A O no hydrogen 3.162 N/A ALA 179.A N ILE 175.A O no hydrogen 3.043 N/A ARG 180.A N HIS 176.A O no hydrogen 2.819 N/A ARG 180.A NH1 GLU 18.A OE1 no hydrogen 3.032 N/A ARG 180.A NH1 GLU 18.A OE2 no hydrogen 3.353 N/A ARG 180.A NH1 VAL 187.A O no hydrogen 2.824 N/A ARG 180.A NH2 GLU 18.A OE2 no hydrogen 2.679 N/A GLU 181.A N MET 177.A O no hydrogen 3.148 N/A LEU 182.A N LEU 178.A O no hydrogen 3.012 N/A LEU 182.A N ALA 179.A O no hydrogen 3.064 N/A LEU 183.A N ALA 179.A O no hydrogen 2.693 N/A VAL 188.A N ASP 164.A O no hydrogen 3.033 N/A CYS 189.A N ILE 14.A O no hydrogen 3.030 N/A ILE 190.A N ALA 166.A O no hydrogen 2.789 N/A HIS 191.A N GLU 12.A O no hydrogen 2.923 N/A HIS 191.A ND1 GLU 12.A OE1 no hydrogen 3.026 N/A HIS 191.A NE2 HIS 176.A ND1 no hydrogen 2.686 N/A ASN 192.A N GLY 168.A O no hydrogen 2.716 N/A ASN 192.A ND2 GLN 47.A OE1 no hydrogen 2.613 N/A THR 196.A N GLU 242.A OE1 no hydrogen 2.667 N/A THR 196.A OG1 GLU 242.A OE1 no hydrogen 3.048 N/A THR 196.A OG1 GLU 242.A OE2 no hydrogen 2.460 N/A GLY 197.A N GLY 202.A O no hydrogen 2.828 N/A LEU 198.A N ASN 210.A O no hydrogen 2.794 N/A GLY 200.A N GLY 197.A O no hydrogen 2.870 N/A GLU 201.A N ASP 199.A OD2 no hydrogen 3.424 N/A LYS 203.A NZ VAL 194.A O no hydrogen 3.431 N/A MET 204.A N LEU 195.A O no hydrogen 2.744 N/A SER 205.A N ASN 210.A OD1 no hydrogen 2.832 N/A SER 206.A OG SER 37.A OG no hydrogen 2.882 N/A SER 206.A OG HIS 41.A NE2 no hydrogen 3.287 N/A LYS 208.A N SER 205.A O no hydrogen 3.156 N/A LYS 208.A N SER 205.A OG no hydrogen 3.247 N/A ASN 210.A ND2 LYS 203.A O no hydrogen 2.933 N/A ALA 213.A N ASP 216.A OD1 no hydrogen 3.074 N/A VAL 214.A N ILE 40.A O no hydrogen 2.964 N/A ASP 216.A N ALA 213.A O no hydrogen 2.898 N/A SER 217.A N GLU 220.A OE2 no hydrogen 3.261 N/A GLU 220.A N SER 217.A OG no hydrogen 3.132 N/A ILE 221.A N SER 217.A O no hydrogen 2.631 N/A ARG 222.A N PRO 218.A O no hydrogen 2.710 N/A ARG 222.A NE GLU 292.A OE1 no hydrogen 2.957 N/A ARG 222.A NE GLU 292.A OE2 no hydrogen 3.514 N/A ARG 222.A NH2 GLU 292.A OE2 no hydrogen 3.286 N/A ALA 223.A N GLU 219.A O no hydrogen 2.509 N/A LYS 224.A N GLU 220.A O no hydrogen 2.817 N/A LYS 224.A NZ PHE 211.A O no hydrogen 2.771 N/A LYS 224.A NZ ASP 216.A OD1 no hydrogen 2.610 N/A ILE 225.A N ILE 221.A O no hydrogen 2.828 N/A LYS 226.A N ARG 222.A O no hydrogen 2.893 N/A LYS 227.A N ALA 223.A O no hydrogen 3.063 N/A ALA 228.A N ILE 225.A O no hydrogen 2.899 N/A TYR 229.A N LEU 198.A O no hydrogen 2.829 N/A CYS 230.A SG ASN 238.A OD1 no hydrogen 3.636 N/A VAL 234.A N PRO 231.A O no hydrogen 3.250 N/A ASN 238.A N VAL 235.A O no hydrogen 3.214 N/A ASN 238.A ND2 VAL 234.A O no hydrogen 2.753 N/A ILE 240.A N ASN 238.A OD1 no hydrogen 2.997 N/A MET 241.A N ASN 238.A OD1 no hydrogen 3.117 N/A GLU 242.A N ASN 238.A O no hydrogen 3.257 N/A ILE 243.A N PRO 239.A O no hydrogen 3.078 N/A ALA 244.A N ILE 240.A O no hydrogen 3.088 N/A LYS 245.A N MET 241.A O no hydrogen 2.815 N/A LYS 245.A NZ TYR 246.A OH no hydrogen 3.529 N/A TYR 246.A N GLU 242.A O no hydrogen 2.759 N/A PHE 247.A N ILE 243.A O no hydrogen 2.892 N/A TYR 250.A OH ALA 244.A O no hydrogen 2.779 N/A LEU 252.A N VAL 266.A O no hydrogen 2.521 N/A LYS 255.A NZ ASP 263.A OD1 no hydrogen 2.820 N/A LYS 255.A NZ ASP 263.A OD2 no hydrogen 3.443 N/A ARG 256.A N ASP 263.A OD1 no hydrogen 3.390 N/A ARG 256.A NH1 GLY 262.A O no hydrogen 3.058 N/A PHE 260.A N PRO 257.A O no hydrogen 2.849 N/A GLY 261.A N GLU 258.A O no hydrogen 3.186 N/A GLY 262.A N PRO 257.A O no hydrogen 2.803 N/A LEU 264.A N ILE 254.A O no hydrogen 2.703 N/A VAL 266.A N LEU 252.A O no hydrogen 2.713 N/A ASN 267.A N GLU 271.A OE1 no hydrogen 3.243 N/A TYR 269.A OH GLU 273.A OE2 no hydrogen 2.673 N/A GLU 271.A N SER 268.A OG no hydrogen 2.793 N/A LEU 272.A N SER 268.A O no hydrogen 2.864 N/A GLU 273.A N TYR 269.A O no hydrogen 2.596 N/A SER 274.A N GLU 270.A O no hydrogen 3.005 N/A SER 274.A OG GLU 270.A O no hydrogen 3.158 N/A SER 274.A OG GLU 271.A O no hydrogen 2.929 N/A LEU 275.A N GLU 271.A O no hydrogen 3.001 N/A PHE 276.A N LEU 272.A O no hydrogen 2.981 N/A LYS 277.A N GLU 273.A O no hydrogen 2.855 N/A ASN 278.A N SER 274.A O no hydrogen 2.906 N/A ASN 278.A ND2 GLU 280.A OE2 no hydrogen 3.372 N/A LYS 279.A N LEU 275.A O no hydrogen 3.013 N/A GLU 280.A N LEU 275.A O no hydrogen 2.666 N/A ASP 285.A N HIS 282.A O no hydrogen 3.131 N/A LEU 286.A N HIS 282.A O no hydrogen 3.074 N/A LYS 287.A N PRO 283.A O no hydrogen 2.735 N/A LYS 287.A NZ ILE 225.A O no hydrogen 2.816 N/A LYS 287.A NZ LYS 226.A O no hydrogen 2.856 N/A LYS 287.A NZ ALA 228.A O no hydrogen 2.682 N/A ASN 288.A N MET 284.A O no hydrogen 3.008 N/A ALA 289.A N ASP 285.A O no hydrogen 3.060 N/A VAL 290.A N LEU 286.A O no hydrogen 2.589 N/A ALA 291.A N LYS 287.A O no hydrogen 2.720 N/A GLU 292.A N ASN 288.A O no hydrogen 2.833 N/A GLU 293.A N ALA 289.A O no hydrogen 2.797 N/A LEU 294.A N VAL 290.A O no hydrogen 2.624 N/A ILE 295.A N ALA 291.A O no hydrogen 2.889 N/A LYS 296.A N GLU 292.A O no hydrogen 3.178 N/A ILE 297.A N GLU 293.A O no hydrogen 2.814 N/A LEU 298.A N LEU 294.A O no hydrogen 2.765 N/A GLU 299.A N ILE 295.A O no hydrogen 2.924 N/A ILE 301.A N LEU 298.A O no hydrogen 2.696 N/A ARG 302.A N LEU 298.A O no hydrogen 3.051 N/A ARG 302.A NE ASP 215.A O no hydrogen 3.461 N/A LYS 303.A N GLU 299.A O no hydrogen 2.849 N/A ARG 304.A N PRO 300.A O no hydrogen 3.103 N/A LEU 305.A N ILE 301.A O no hydrogen 3.013 N/A LEU 306.A N ARG 302.A O no hydrogen 2.697 N/A