Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 89.A O no hydrogen 2.545 N/A TYR 6.A N VAL 17.A O no hydrogen 3.013 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.652 N/A GLN 8.A N TRP 15.A O no hydrogen 2.898 N/A LEU 10.A N THR 13.A O no hydrogen 2.685 N/A THR 13.A N LEU 10.A O no hydrogen 2.630 N/A TRP 15.A N GLN 8.A O no hydrogen 2.890 N/A GLU 16.A N TYR 100.A OH no hydrogen 3.002 N/A VAL 17.A N TYR 6.A O no hydrogen 3.101 N/A GLU 19.A N THR 4.A O no hydrogen 2.843 N/A ARG 20.A NE ASP 40.A OD1 no hydrogen 2.780 N/A ARG 20.A NH2 ASP 40.A OD1 no hydrogen 3.101 N/A ARG 20.A NH2 ASP 40.A OD2 no hydrogen 2.431 N/A TYR 21.A N PRO 18.A O no hydrogen 3.143 N/A TYR 21.A OH ASP 85.A OD2 no hydrogen 2.531 N/A GLN 22.A N PHE 39.A O no hydrogen 2.957 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.828 N/A SER 25.A N ALA 37.A O no hydrogen 2.947 N/A VAL 27.A N VAL 35.A O no hydrogen 2.979 N/A SER 29.A OG SER 34.A OG no hydrogen 3.405 N/A SER 34.A N LYS 51.A O no hydrogen 3.228 N/A SER 34.A OG SER 29.A OG no hydrogen 3.405 N/A VAL 35.A N GLY 28.A O no hydrogen 2.762 N/A CYS 36.A N VAL 49.A O no hydrogen 2.798 N/A ALA 37.A N SER 25.A O no hydrogen 2.888 N/A ALA 38.A N VAL 47.A O no hydrogen 3.104 N/A PHE 39.A N GLN 22.A O no hydrogen 2.727 N/A ASP 40.A N LEU 45.A O no hydrogen 2.813 N/A THR 41.A N ARG 20.A O no hydrogen 3.050 N/A THR 41.A OG1 ARG 20.A O no hydrogen 2.443 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.085 N/A THR 43.A N ASP 40.A O no hydrogen 3.230 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.671 N/A GLY 44.A N ASP 40.A O no hydrogen 2.708 N/A VAL 47.A N ALA 38.A O no hydrogen 2.859 N/A ALA 48.A N THR 103.A O no hydrogen 2.861 N/A VAL 49.A N CYS 36.A O no hydrogen 2.743 N/A LYS 50.A N LEU 101.A O no hydrogen 3.003 N/A LYS 50.A NZ GLU 68.A OE2 no hydrogen 2.879 N/A LYS 51.A N SER 34.A O no hydrogen 3.058 N/A LYS 51.A NZ ILE 14.A O no hydrogen 2.640 N/A LEU 52.A N VAL 99.A O no hydrogen 2.963 N/A GLN 57.A N ARG 54.A O no hydrogen 3.124 N/A HIS 61.A N SER 58.A OG no hydrogen 3.225 N/A ALA 62.A N SER 58.A O no hydrogen 3.022 N/A LYS 63.A N ILE 59.A O no hydrogen 2.914 N/A LYS 63.A NZ GLU 325.A O no hydrogen 2.622 N/A LYS 63.A NZ ARG 327.A O no hydrogen 3.327 N/A ARG 64.A N ILE 60.A O no hydrogen 3.303 N/A THR 65.A N HIS 61.A O no hydrogen 3.055 N/A THR 65.A OG1 PRO 55.A O no hydrogen 3.052 N/A THR 65.A OG1 HIS 61.A O no hydrogen 2.752 N/A TYR 66.A N ALA 62.A O no hydrogen 3.223 N/A ARG 67.A N LYS 63.A O no hydrogen 2.749 N/A ARG 67.A NE GLU 325.A OE1 no hydrogen 3.372 N/A ARG 67.A NE GLU 325.A OE2 no hydrogen 3.031 N/A ARG 67.A NH2 GLU 325.A OE1 no hydrogen 2.681 N/A GLU 68.A N ARG 64.A O no hydrogen 2.894 N/A LEU 69.A N THR 65.A O no hydrogen 3.047 N/A ARG 70.A N TYR 66.A O no hydrogen 2.876 N/A ARG 70.A NH1 TYR 66.A OH no hydrogen 3.257 N/A ARG 70.A NH1 ASP 321.A O no hydrogen 3.477 N/A ARG 70.A NH2 ASP 321.A O no hydrogen 2.978 N/A LEU 71.A N ARG 67.A O no hydrogen 2.859 N/A LEU 72.A N GLU 68.A O no hydrogen 2.940 N/A LYS 73.A N LEU 69.A O no hydrogen 2.916 N/A LYS 73.A NZ GLU 341.A O no hydrogen 3.051 N/A LYS 73.A NZ GLU 341.A OE1 no hydrogen 2.723 N/A HIS 74.A N ARG 70.A O no hydrogen 3.235 N/A HIS 74.A NE2 ASP 318.A O no hydrogen 2.870 N/A LYS 76.A N TYR 137.A OH no hydrogen 2.860 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 3.088 N/A ASN 79.A ND2 GLN 130.A OE1 no hydrogen 3.343 N/A ASN 79.A ND2 LEU 161.A O no hydrogen 2.983 N/A VAL 80.A N HIS 77.A O no hydrogen 3.256 N/A ILE 81.A N ILE 163.A O no hydrogen 3.028 N/A LEU 84.A N VAL 102.A O no hydrogen 2.812 N/A ASP 85.A N VAL 102.A O no hydrogen 3.386 N/A PHE 87.A N TYR 100.A O no hydrogen 3.132 N/A THR 88.A OG1 ASP 98.A O no hydrogen 2.731 N/A ALA 90.A N THR 88.A OG1 no hydrogen 3.419 N/A SER 92.A OG GLU 94.A OE1 no hydrogen 3.254 N/A GLU 94.A N SER 92.A OG no hydrogen 3.212 N/A GLU 95.A N SER 92.A O no hydrogen 3.197 N/A GLU 95.A N SER 92.A OG no hydrogen 3.133 N/A PHE 96.A N SER 92.A O no hydrogen 2.872 N/A VAL 99.A N LEU 52.A O no hydrogen 3.513 N/A TYR 100.A N PHE 87.A O no hydrogen 3.036 N/A LEU 101.A N LYS 50.A O no hydrogen 2.870 N/A VAL 102.A N ASP 85.A O no hydrogen 2.810 N/A THR 103.A N ALA 48.A O no hydrogen 3.144 N/A THR 103.A OG1 GLY 82.A O no hydrogen 3.180 N/A LEU 105.A N ARG 46.A O no hydrogen 3.183 N/A ALA 108.A N VAL 155.A O no hydrogen 2.838 N/A LEU 110.A N LEU 153.A O no hydrogen 2.838 N/A ASN 112.A N ASP 109.A OD1 no hydrogen 2.881 N/A ILE 113.A N LEU 110.A O no hydrogen 3.095 N/A VAL 114.A N LEU 110.A O no hydrogen 2.961 N/A LYS 115.A N ASN 111.A O no hydrogen 3.282 N/A LYS 115.A NZ ASN 111.A OD1 no hydrogen 2.610 N/A GLN 117.A N VAL 114.A O no hydrogen 3.000 N/A LEU 119.A N LEU 213.A O no hydrogen 2.889 N/A HIS 123.A N THR 120.A OG1 no hydrogen 3.285 N/A VAL 124.A N THR 120.A O no hydrogen 3.052 N/A GLN 125.A N ASP 121.A O no hydrogen 3.028 N/A GLN 125.A NE2 ASP 121.A O no hydrogen 3.669 N/A GLN 125.A NE2 ASP 121.A OD2 no hydrogen 3.064 N/A PHE 126.A N ASP 122.A O no hydrogen 3.242 N/A LEU 127.A N HIS 123.A O no hydrogen 3.228 N/A ILE 128.A N VAL 124.A O no hydrogen 2.977 N/A TYR 129.A N GLN 125.A O no hydrogen 2.768 N/A TYR 129.A OH GLU 314.A OE2 no hydrogen 2.514 N/A GLN 130.A N PHE 126.A O no hydrogen 3.180 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.231 N/A GLN 130.A NE2 CYS 159.A O no hydrogen 2.920 N/A ILE 131.A N LEU 127.A O no hydrogen 3.052 N/A LEU 132.A N ILE 128.A O no hydrogen 2.893 N/A ARG 133.A N TYR 129.A O no hydrogen 2.854 N/A ARG 133.A NE ASP 313.A O no hydrogen 2.843 N/A ARG 133.A NH1 GLU 78.A OE2 no hydrogen 3.405 N/A ARG 133.A NH1 ASN 79.A OD1 no hydrogen 2.818 N/A ARG 133.A NH2 ASP 313.A O no hydrogen 2.883 N/A GLY 134.A N GLN 130.A O no hydrogen 3.055 N/A LEU 135.A N ILE 131.A O no hydrogen 2.837 N/A LYS 136.A N LEU 132.A O no hydrogen 2.775 N/A LYS 136.A NZ GLU 314.A O no hydrogen 2.869 N/A TYR 137.A N ARG 133.A O no hydrogen 3.421 N/A ILE 138.A N GLY 134.A O no hydrogen 3.066 N/A HIS 139.A N LEU 135.A O no hydrogen 2.843 N/A HIS 139.A NE2 ASP 202.A OD2 no hydrogen 2.866 N/A SER 140.A N LYS 136.A O no hydrogen 3.073 N/A SER 140.A OG TYR 137.A O no hydrogen 2.738 N/A ALA 141.A N ILE 138.A O no hydrogen 3.156 N/A ASP 142.A N HIS 139.A O no hydrogen 2.925 N/A ILE 143.A N ILE 138.A O no hydrogen 3.271 N/A HIS 145.A N ASP 202.A OD2 no hydrogen 2.967 N/A HIS 145.A NE2 LEU 164.A O no hydrogen 2.656 N/A ARG 146.A N ASP 202.A OD1 no hydrogen 3.079 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.035 N/A LYS 149.A N ASN 152.A OD1 no hydrogen 3.425 N/A ASN 152.A N LYS 149.A O no hydrogen 3.138 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 2.880 N/A LEU 153.A N PRO 150.A O no hydrogen 3.369 N/A ALA 154.A N LYS 162.A O no hydrogen 2.864 N/A VAL 155.A N ALA 108.A O no hydrogen 2.625 N/A ASN 156.A N GLU 160.A O no hydrogen 2.970 N/A ASN 156.A ND2 GLU 160.A OE1 no hydrogen 2.653 N/A CYS 159.A N ASN 156.A O no hydrogen 3.195 N/A GLU 160.A N ASN 156.A OD1 no hydrogen 3.275 N/A LEU 161.A N GLN 130.A OE1 no hydrogen 3.175 N/A LYS 162.A N ALA 154.A O no hydrogen 3.043 N/A LYS 162.A NZ GLU 78.A O no hydrogen 2.946 N/A ILE 163.A N ASN 79.A O no hydrogen 2.941 N/A LEU 164.A N ASN 152.A O no hydrogen 2.894 N/A GLY 167.A N ILE 144.A O no hydrogen 3.170 N/A GLY 167.A N HIS 145.A O no hydrogen 3.385 N/A THR 172.A N GLU 175.A OE2 no hydrogen 2.903 N/A THR 172.A OG1 GLU 175.A OE2 no hydrogen 2.570 N/A THR 177.A N ASP 174.A O no hydrogen 3.254 N/A THR 177.A OG1 ASP 173.A O no hydrogen 2.637 N/A VAL 180.A N GLY 178.A O no hydrogen 3.014 N/A THR 182.A OG1 GLU 175.A O no hydrogen 2.419 N/A ARG 183.A N VAL 180.A O no hydrogen 3.110 N/A ARG 183.A NE GLN 228.A OE1 no hydrogen 2.904 N/A ARG 183.A NH1 MET 176.A O no hydrogen 2.814 N/A ARG 183.A NH1 GLY 178.A O no hydrogen 2.618 N/A ARG 183.A NH2 GLY 178.A O no hydrogen 3.026 N/A ARG 183.A NH2 GLN 228.A OE1 no hydrogen 3.194 N/A TRP 184.A NE1 GLY 222.A O no hydrogen 3.109 N/A TYR 185.A OH GLU 212.A OE1 no hydrogen 2.569 N/A ARG 186.A N ARG 183.A O no hydrogen 3.210 N/A ARG 186.A NH2 ARG 146.A O no hydrogen 2.985 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.757 N/A ILE 190.A N ALA 187.A O no hydrogen 3.004 N/A MET 191.A N ALA 187.A O no hydrogen 2.890 N/A LEU 192.A N PRO 188.A O no hydrogen 3.064 N/A ASN 193.A N ILE 190.A O no hydrogen 3.477 N/A TRP 194.A N GLU 189.A O no hydrogen 2.799 N/A THR 200.A N ASN 198.A OD1 no hydrogen 2.907 N/A THR 200.A OG1 ASN 198.A OD1 no hydrogen 2.235 N/A THR 200.A OG1 SER 290.A O no hydrogen 3.082 N/A VAL 201.A N ASN 198.A O no hydrogen 3.364 N/A ASP 202.A N GLN 199.A O no hydrogen 2.984 N/A TRP 204.A N THR 200.A O no hydrogen 3.409 N/A SER 205.A OG TYR 185.A O no hydrogen 2.756 N/A SER 205.A OG VAL 201.A O no hydrogen 3.373 N/A VAL 206.A N ASP 202.A O no hydrogen 3.130 N/A GLY 207.A N ILE 203.A O no hydrogen 3.022 N/A CYS 208.A N TRP 204.A O no hydrogen 3.139 N/A CYS 208.A SG TRP 184.A O no hydrogen 4.015 N/A CYS 208.A SG TRP 204.A O no hydrogen 3.558 N/A ILE 209.A N SER 205.A O no hydrogen 2.824 N/A MET 210.A N VAL 206.A O no hydrogen 2.710 N/A ALA 211.A N GLY 207.A O no hydrogen 3.159 N/A GLU 212.A N CYS 208.A O no hydrogen 3.192 N/A LEU 213.A N ILE 209.A O no hydrogen 2.954 N/A LEU 214.A N MET 210.A O no hydrogen 3.027 N/A THR 215.A N ALA 211.A O no hydrogen 3.034 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.955 N/A GLY 216.A N GLU 212.A O no hydrogen 2.718 N/A ARG 217.A N THR 215.A OG1 no hydrogen 3.172 N/A GLY 222.A N PHE 220.A O no hydrogen 2.732 N/A THR 223.A N ASP 227.A OD2 no hydrogen 2.750 N/A THR 223.A OG1 ASP 224.A OD2 no hydrogen 3.334 N/A ASP 227.A N ASP 224.A OD1 no hydrogen 2.909 N/A GLN 228.A N ASP 224.A O no hydrogen 3.073 N/A GLN 228.A NE2 ARG 183.A O no hydrogen 2.976 N/A LEU 229.A N HIS 225.A O no hydrogen 3.068 N/A LYS 230.A N ILE 226.A O no hydrogen 3.093 N/A LEU 231.A N ASP 227.A O no hydrogen 3.009 N/A ILE 232.A N GLN 228.A O no hydrogen 3.032 N/A LEU 233.A N LEU 229.A O no hydrogen 2.772 N/A ARG 234.A N LYS 230.A O no hydrogen 3.108 N/A VAL 236.A N ILE 232.A O no hydrogen 2.949 N/A GLY 237.A N LEU 233.A O no hydrogen 2.855 N/A THR 238.A N MET 262.A O no hydrogen 3.200 N/A THR 238.A OG1 MET 262.A O no hydrogen 3.209 N/A LEU 244.A N GLY 240.A O no hydrogen 2.828 N/A LYS 245.A N ALA 241.A O no hydrogen 2.990 N/A LYS 246.A N LEU 243.A O no hydrogen 2.852 N/A LYS 246.A NZ ASP 289.A OD1 no hydrogen 3.278 N/A LYS 246.A NZ ASP 289.A OD2 no hydrogen 2.821 N/A LYS 246.A NZ ASP 291.A OD2 no hydrogen 2.619 N/A ILE 247.A N LEU 244.A O no hydrogen 3.183 N/A SER 249.A N TRP 194.A O no hydrogen 3.069 N/A ARG 253.A N SER 249.A O no hydrogen 3.114 N/A ARG 253.A NH2 GLU 250.A OE1 no hydrogen 2.699 N/A ASN 254.A N GLU 250.A O no hydrogen 3.127 N/A TYR 255.A N SER 251.A O no hydrogen 3.211 N/A ILE 256.A N ALA 252.A O no hydrogen 3.172 N/A GLN 257.A N ARG 253.A O no hydrogen 3.015 N/A SER 258.A N TYR 255.A O no hydrogen 2.894 N/A SER 258.A OG TYR 255.A O no hydrogen 2.643 N/A LEU 259.A N ILE 256.A O no hydrogen 3.113 N/A MET 262.A N THR 238.A OG1 no hydrogen 2.963 N/A LYS 264.A NZ MET 265.A O no hydrogen 2.693 N/A LYS 264.A NZ GLU 283.A OE2 no hydrogen 3.229 N/A MET 265.A N LEU 235.A O no hydrogen 2.994 N/A ASN 269.A N ASN 266.A O no hydrogen 2.956 N/A ASN 269.A N ASN 266.A OD1 no hydrogen 3.336 N/A VAL 270.A N PHE 267.A O no hydrogen 3.090 N/A PHE 271.A N PHE 267.A O no hydrogen 2.705 N/A ALA 274.A N PHE 271.A O no hydrogen 3.144 N/A ASN 275.A ND2 ASP 121.A OD2 no hydrogen 2.859 N/A LEU 277.A N ASN 275.A OD1 no hydrogen 2.898 N/A VAL 279.A N ASN 275.A O no hydrogen 3.001 N/A ASP 280.A N PRO 276.A O no hydrogen 2.932 N/A LEU 281.A N LEU 277.A O no hydrogen 3.016 N/A LEU 282.A N ALA 278.A O no hydrogen 2.929 N/A GLU 283.A N VAL 279.A O no hydrogen 2.990 N/A LYS 284.A N ASP 280.A O no hydrogen 3.223 N/A LYS 284.A N LEU 281.A O no hydrogen 3.201 N/A LYS 284.A NZ ASP 280.A OD2 no hydrogen 3.043 N/A MET 285.A N LEU 281.A O no hydrogen 3.127 N/A MET 285.A N LEU 282.A O no hydrogen 3.126 N/A LEU 286.A N LEU 282.A O no hydrogen 2.939 N/A ASP 291.A N ASP 289.A OD1 no hydrogen 3.218 N/A LYS 292.A N ASP 289.A O no hydrogen 3.076 N/A LYS 292.A NZ GLU 242.A OE1 no hydrogen 2.785 N/A ARG 293.A N SER 290.A O no hydrogen 3.411 N/A ARG 293.A NE VAL 287.A O no hydrogen 2.989 N/A ARG 293.A NH1 GLU 189.A OE2 no hydrogen 2.799 N/A ARG 293.A NH1 THR 200.A O no hydrogen 2.747 N/A ARG 293.A NH2 GLU 189.A OE1 no hydrogen 3.194 N/A ARG 293.A NH2 GLU 189.A OE2 no hydrogen 3.285 N/A ARG 293.A NH2 VAL 287.A O no hydrogen 3.376 N/A ARG 293.A NH2 LEU 288.A O no hydrogen 3.159 N/A ILE 294.A N LYS 284.A O no hydrogen 3.110 N/A THR 295.A N GLN 298.A OE1 no hydrogen 3.346 N/A GLN 298.A N THR 295.A OG1 no hydrogen 3.231 N/A ALA 299.A N THR 295.A O no hydrogen 2.823 N/A LEU 300.A N ALA 296.A O no hydrogen 3.032 N/A HIS 302.A N ALA 299.A O no hydrogen 2.935 N/A HIS 302.A NE2 ASP 280.A OD2 no hydrogen 2.784 N/A TYR 304.A N HIS 302.A ND1 no hydrogen 3.003 N/A TYR 304.A OH ASP 121.A OD1 no hydrogen 2.822 N/A PHE 305.A N HIS 302.A O no hydrogen 3.005 N/A ALA 306.A N ALA 303.A O no hydrogen 3.121 N/A TYR 308.A N PHE 305.A O no hydrogen 3.130 N/A TYR 308.A OH ASP 122.A OD1 no hydrogen 2.751 N/A HIS 309.A N PHE 305.A O no hydrogen 2.704 N/A HIS 309.A ND1 GLU 314.A OE2 no hydrogen 2.847 N/A ASP 310.A N GLU 314.A OE2 no hydrogen 3.274 N/A ASP 312.A N ASP 310.A OD1 no hydrogen 3.333 N/A ASP 313.A N ASP 310.A O no hydrogen 2.611 N/A ALA 317.A N SER 140.A OG no hydrogen 2.819 N/A SER 323.A N ASP 321.A OD1 no hydrogen 2.997 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 2.558 N/A GLU 325.A N GLN 322.A O no hydrogen 2.682 N/A SER 326.A N SER 323.A O no hydrogen 3.292 N/A SER 326.A OG SER 323.A O no hydrogen 3.309 N/A ARG 327.A N PHE 324.A O no hydrogen 3.200 N/A ARG 327.A NH1 SER 323.A OG no hydrogen 3.298 N/A LEU 330.A N GLU 333.A OE1 no hydrogen 3.034 N/A GLU 333.A N LEU 330.A O no hydrogen 2.818 N/A TRP 334.A N LEU 330.A O no hydrogen 3.056 N/A LYS 335.A N ILE 331.A O no hydrogen 2.999 N/A LYS 335.A NZ PHE 96.A O no hydrogen 2.731 N/A SER 336.A N ASP 332.A O no hydrogen 2.996 N/A LEU 337.A N GLU 333.A O no hydrogen 3.078 N/A THR 338.A N TRP 334.A O no hydrogen 2.900 N/A THR 338.A OG1 TRP 334.A O no hydrogen 2.804 N/A TYR 339.A N LYS 335.A O no hydrogen 2.943 N/A ASP 340.A N SER 336.A O no hydrogen 3.030 N/A GLU 341.A N LEU 337.A O no hydrogen 3.208 N/A VAL 342.A N THR 338.A O no hydrogen 2.784 N/A ILE 343.A N TYR 339.A O no hydrogen 2.891 N/A SER 344.A N ASP 340.A O no hydrogen 3.061 N/A SER 344.A OG ASP 340.A O no hydrogen 2.813 N/A PHE 345.A N VAL 342.A O no hydrogen 3.345 N/A