Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N ALA 3.A O no hydrogen 3.086 N/A GLN 7.A N PHE 4.A O no hydrogen 3.195 N/A LEU 8.A N GLY 5.A O no hydrogen 2.909 N/A LEU 9.A N GLU 6.A O no hydrogen 3.016 N/A LYS 10.A N GLN 7.A O no hydrogen 3.267 N/A LYS 10.A NZ GLN 7.A OE1 no hydrogen 2.794 N/A GLU 15.A N ASN 11.A O no hydrogen 3.062 N/A PHE 16.A N PRO 12.A O no hydrogen 2.794 N/A CYS 17.A N LEU 13.A O no hydrogen 2.998 N/A ASP 18.A N ILE 14.A O no hydrogen 3.080 N/A SER 19.A N GLU 15.A O no hydrogen 2.920 N/A SER 19.A OG GLU 15.A O no hydrogen 3.160 N/A VAL 20.A N PHE 16.A O no hydrogen 2.854 N/A CYS 21.A N CYS 17.A O no hydrogen 3.044 N/A CYS 21.A SG CYS 17.A O no hydrogen 3.632 N/A ARG 22.A N ASP 18.A O no hydrogen 2.948 N/A ARG 22.A NE ASP 18.A OD2 no hydrogen 2.881 N/A ARG 22.A NH1 ASN 31.A OD1 no hydrogen 2.860 N/A GLY 23.A N SER 19.A O no hydrogen 2.710 N/A CYS 24.A N VAL 20.A O no hydrogen 2.834 N/A CYS 24.A SG GLY 36.A O no hydrogen 3.743 N/A GLY 25.A N CYS 21.A O no hydrogen 2.949 N/A GLN 26.A N ARG 22.A O no hydrogen 2.859 N/A GLN 26.A NE2 ALA 77.A O no hydrogen 2.758 N/A VAL 27.A N CYS 24.A O no hydrogen 3.114 N/A MET 28.A N GLY 25.A O no hydrogen 3.140 N/A PHE 29.A N GLN 26.A O no hydrogen 3.048 N/A GLN 30.A N GLY 25.A O no hydrogen 3.032 N/A GLN 30.A NE2 MET 28.A O no hydrogen 2.851 N/A ASN 32.A N GLN 30.A O no hydrogen 2.956 N/A ASN 32.A ND2 ASN 205.A OD1 no hydrogen 2.984 N/A THR 33.A OG1 ASP 18.A OD1 no hydrogen 2.986 N/A THR 35.A N ASN 32.A OD1 no hydrogen 3.126 N/A THR 35.A OG1 ALA 201.A O no hydrogen 2.895 N/A GLY 36.A N ASN 32.A O no hydrogen 3.107 N/A LEU 37.A N THR 33.A O no hydrogen 2.820 N/A LEU 38.A N VAL 34.A O no hydrogen 2.887 N/A PHE 39.A N THR 35.A O no hydrogen 2.902 N/A PHE 40.A N GLY 36.A O no hydrogen 2.917 N/A ALA 41.A N LEU 37.A O no hydrogen 2.920 N/A GLY 42.A N LEU 38.A O no hydrogen 2.930 N/A ILE 43.A N PHE 39.A O no hydrogen 2.952 N/A PHE 44.A N PHE 40.A O no hydrogen 2.827 N/A TYR 45.A N ALA 41.A O no hydrogen 2.886 N/A ASN 46.A N ILE 43.A O no hydrogen 2.889 N/A ASN 46.A ND2 GLN 189.A OE1 no hydrogen 2.917 N/A SER 47.A N ILE 43.A O no hydrogen 2.862 N/A LEU 50.A N SER 47.A OG no hydrogen 2.996 N/A GLY 51.A N SER 47.A O no hydrogen 2.970 N/A VAL 52.A N THR 48.A O no hydrogen 2.932 N/A CYS 53.A N THR 49.A O no hydrogen 3.127 N/A ALA 54.A N LEU 50.A O no hydrogen 2.816 N/A VAL 55.A N GLY 51.A O no hydrogen 3.056 N/A LEU 56.A N VAL 52.A O no hydrogen 2.806 N/A GLY 57.A N CYS 53.A O no hydrogen 2.944 N/A THR 58.A N ALA 54.A O no hydrogen 2.955 N/A THR 58.A OG1 ALA 54.A O no hydrogen 2.728 N/A THR 58.A OG1 THR 85.A OG1 no hydrogen 2.683 N/A ALA 59.A N VAL 55.A O no hydrogen 2.832 N/A ALA 60.A N LEU 56.A O no hydrogen 2.871 N/A SER 61.A N GLY 57.A O no hydrogen 3.174 N/A SER 61.A OG GLY 57.A O no hydrogen 3.405 N/A SER 61.A OG THR 58.A O no hydrogen 3.256 N/A SER 61.A OG PHE 80.A O no hydrogen 2.709 N/A THR 62.A N THR 58.A O no hydrogen 3.018 N/A THR 62.A OG1 THR 58.A O no hydrogen 2.594 N/A LEU 63.A N ALA 59.A O no hydrogen 2.908 N/A THR 64.A N ALA 60.A O no hydrogen 3.053 N/A THR 64.A OG1 ALA 60.A O no hydrogen 2.598 N/A ALA 65.A N SER 61.A O no hydrogen 3.092 N/A GLN 66.A N THR 62.A O no hydrogen 3.011 N/A LEU 67.A N LEU 63.A O no hydrogen 2.702 N/A LEU 68.A N THR 64.A O no hydrogen 2.915 N/A GLY 69.A N GLN 66.A O no hydrogen 3.110 N/A VAL 70.A N ALA 65.A O no hydrogen 2.883 N/A LYS 72.A NZ GLU 15.A OE1 no hydrogen 3.275 N/A LEU 74.A N ASP 71.A O no hydrogen 2.983 N/A VAL 75.A N ASP 71.A O no hydrogen 3.440 N/A ARG 76.A N LYS 72.A O no hydrogen 2.764 N/A ALA 77.A N PRO 73.A O no hydrogen 2.991 N/A GLY 78.A N VAL 75.A O no hydrogen 2.908 N/A LEU 79.A N LEU 74.A O no hydrogen 3.247 N/A GLY 81.A N GLY 78.A O no hydrogen 3.050 N/A ASN 83.A ND2 LEU 131.A O no hydrogen 3.542 N/A THR 85.A N GLY 81.A O no hydrogen 2.920 N/A THR 85.A OG1 THR 58.A OG1 no hydrogen 2.683 N/A THR 85.A OG1 GLY 81.A O no hydrogen 3.110 N/A LEU 86.A N PHE 82.A O no hydrogen 3.209 N/A ALA 87.A N ASN 83.A O no hydrogen 3.068 N/A GLY 88.A N GLY 84.A O no hydrogen 3.015 N/A ILE 89.A N THR 85.A O no hydrogen 3.123 N/A ALA 90.A N LEU 86.A O no hydrogen 2.875 N/A PHE 93.A N ILE 89.A O no hydrogen 3.225 N/A PHE 94.A N ALA 90.A O no hydrogen 3.084 N/A PHE 95.A N LEU 91.A O no hydrogen 2.920 N/A ASN 96.A N HIS 153.A O no hydrogen 2.887 N/A MET 101.A N GLU 98.A O no hydrogen 2.786 N/A TYR 104.A N ALA 100.A O no hydrogen 2.993 N/A TYR 104.A OH LEU 142.A O no hydrogen 2.645 N/A VAL 105.A N MET 101.A O no hydrogen 2.851 N/A ALA 106.A N LEU 102.A O no hydrogen 3.040 N/A LEU 107.A N GLY 103.A O no hydrogen 2.975 N/A ASN 108.A N TYR 104.A O no hydrogen 2.785 N/A ASN 108.A ND2 ALA 87.A O no hydrogen 3.297 N/A ASN 108.A ND2 THR 139.A OG1 no hydrogen 3.005 N/A GLY 109.A N VAL 105.A O no hydrogen 2.860 N/A ALA 110.A N ALA 106.A O no hydrogen 2.786 N/A PHE 111.A N LEU 107.A O no hydrogen 2.907 N/A THR 112.A N ASN 108.A O no hydrogen 3.039 N/A THR 112.A OG1 GLY 109.A O no hydrogen 2.661 N/A THR 113.A N ALA 110.A O no hydrogen 3.106 N/A THR 113.A OG1 SER 61.A O no hydrogen 2.556 N/A ILE 114.A N ALA 110.A O no hydrogen 3.462 N/A ILE 115.A N PHE 111.A O no hydrogen 3.132 N/A MET 116.A N THR 112.A O no hydrogen 2.792 N/A ALA 117.A N THR 113.A O no hydrogen 3.111 N/A SER 118.A N ILE 114.A O no hydrogen 2.890 N/A SER 118.A OG ILE 114.A O no hydrogen 2.935 N/A LEU 119.A N ILE 115.A O no hydrogen 2.870 N/A LEU 120.A N MET 116.A O no hydrogen 2.856 N/A ASN 121.A N ALA 117.A O no hydrogen 3.092 N/A PHE 122.A N SER 118.A O no hydrogen 2.832 N/A LEU 123.A N LEU 119.A O no hydrogen 2.768 N/A GLY 124.A N LEU 120.A O no hydrogen 3.103 N/A TRP 126.A N LEU 123.A O no hydrogen 2.904 N/A GLY 127.A N GLY 124.A O no hydrogen 2.892 N/A VAL 128.A N LEU 123.A O no hydrogen 3.391 N/A THR 132.A OG1 THR 292.A OG1 no hydrogen 2.804 N/A ALA 133.A N ALA 130.A O no hydrogen 3.260 N/A PHE 135.A N ASN 83.A OD1 no hydrogen 2.970 N/A VAL 136.A N THR 132.A O no hydrogen 3.048 N/A LEU 137.A N ALA 133.A O no hydrogen 2.941 N/A ALA 138.A N PRO 134.A O no hydrogen 3.112 N/A THR 139.A N PHE 135.A O no hydrogen 3.033 N/A THR 139.A OG1 PHE 135.A O no hydrogen 2.804 N/A TRP 140.A N VAL 136.A O no hydrogen 2.873 N/A TRP 140.A NE1 PRO 289.A O no hydrogen 2.980 N/A LEU 141.A N LEU 137.A O no hydrogen 3.075 N/A LEU 142.A N ALA 138.A O no hydrogen 2.987 N/A MET 143.A N THR 139.A O no hydrogen 2.700 N/A MET 143.A N TRP 140.A O no hydrogen 3.235 N/A PHE 144.A N TRP 140.A O no hydrogen 2.879 N/A VAL 146.A N MET 143.A O no hydrogen 3.180 N/A TYR 147.A OH ILE 286.A O no hydrogen 2.719 N/A LYS 148.A N GLY 145.A O no hydrogen 2.795 N/A LEU 149.A N GLY 145.A O no hydrogen 2.880 N/A HIS 153.A ND1 GLU 98.A OE1 no hydrogen 2.641 N/A GLY 155.A N PHE 94.A O no hydrogen 2.771 N/A ILE 158.A N GLY 155.A O no hydrogen 3.075 N/A ALA 161.A N SER 284.A O no hydrogen 3.014 N/A THR 171.A N THR 174.A OG1 no hydrogen 2.906 N/A THR 174.A OG1 THR 171.A O no hydrogen 3.051 N/A THR 174.A OG1 GLU 231.A OE2 no hydrogen 2.662 N/A PHE 175.A N GLY 172.A O no hydrogen 2.963 N/A MET 176.A N GLY 172.A O no hydrogen 3.080 N/A GLU 177.A N ARG 173.A O no hydrogen 2.914 N/A GLY 178.A N THR 174.A O no hydrogen 2.954 N/A LEU 179.A N PHE 175.A O no hydrogen 2.917 N/A PHE 180.A N MET 176.A O no hydrogen 3.478 N/A LYS 181.A N GLU 177.A O no hydrogen 2.978 N/A LYS 181.A NZ GLU 177.A OE1 no hydrogen 2.764 N/A LYS 181.A NZ ASP 190.A OD2 no hydrogen 2.899 N/A GLY 182.A N GLY 178.A O no hydrogen 2.954 N/A GLY 184.A N PHE 180.A O no hydrogen 2.943 N/A GLU 185.A N LYS 181.A O no hydrogen 2.636 N/A VAL 186.A N VAL 183.A O no hydrogen 3.085 N/A MET 187.A N GLY 184.A O no hydrogen 2.997 N/A PHE 188.A N GLU 185.A O no hydrogen 3.043 N/A GLN 189.A N GLY 184.A O no hydrogen 3.050 N/A GLN 189.A NE2 MET 187.A O no hydrogen 2.877 N/A ASN 191.A N GLN 189.A O no hydrogen 2.776 N/A ASN 191.A ND2 ASN 46.A OD1 no hydrogen 3.074 N/A THR 194.A N ASN 191.A OD1 no hydrogen 3.260 N/A THR 194.A OG1 GLY 42.A O no hydrogen 2.932 N/A GLY 195.A N ASN 191.A O no hydrogen 3.032 N/A VAL 196.A N ILE 192.A O no hydrogen 2.931 N/A ILE 197.A N VAL 193.A O no hydrogen 2.728 N/A PHE 198.A N THR 194.A O no hydrogen 2.780 N/A VAL 199.A N GLY 195.A O no hydrogen 3.192 N/A VAL 200.A N VAL 196.A O no hydrogen 2.953 N/A ALA 201.A N ILE 197.A O no hydrogen 2.803 N/A ILE 202.A N PHE 198.A O no hydrogen 3.040 N/A LEU 203.A N VAL 199.A O no hydrogen 2.819 N/A VAL 204.A N VAL 200.A O no hydrogen 3.050 N/A VAL 204.A N ALA 201.A O no hydrogen 3.266 N/A ASN 205.A ND2 GLN 30.A OE1 no hydrogen 2.943 N/A SER 206.A N ILE 202.A O no hydrogen 2.804 N/A SER 206.A OG GLU 324.A OE1 no hydrogen 2.613 N/A SER 206.A OG GLU 324.A OE2 no hydrogen 3.343 N/A ILE 208.A N GLU 324.A OE2 no hydrogen 2.996 N/A SER 209.A N SER 206.A OG no hydrogen 3.116 N/A ALA 210.A N SER 206.A O no hydrogen 3.057 N/A LEU 211.A N ARG 207.A O no hydrogen 2.950 N/A PHE 212.A N ILE 208.A O no hydrogen 2.986 N/A ALA 213.A N SER 209.A O no hydrogen 2.907 N/A VAL 214.A N ALA 210.A O no hydrogen 3.149 N/A ILE 215.A N LEU 211.A O no hydrogen 2.764 N/A GLY 216.A N PHE 212.A O no hydrogen 2.912 N/A SER 217.A N ALA 213.A O no hydrogen 3.191 N/A SER 217.A OG LEU 179.A O no hydrogen 2.590 N/A LEU 218.A N VAL 214.A O no hydrogen 3.120 N/A VAL 219.A N ILE 215.A O no hydrogen 2.725 N/A GLY 220.A N GLY 216.A O no hydrogen 2.929 N/A LEU 221.A N SER 217.A O no hydrogen 3.012 N/A CYS 222.A N LEU 218.A O no hydrogen 2.953 N/A THR 223.A N VAL 219.A O no hydrogen 2.945 N/A THR 223.A OG1 VAL 219.A O no hydrogen 2.713 N/A ALA 224.A N GLY 220.A O no hydrogen 3.047 N/A LEU 225.A N LEU 221.A O no hydrogen 3.032 N/A ILE 226.A N CYS 222.A O no hydrogen 2.759 N/A MET 227.A N THR 223.A O no hydrogen 2.814 N/A HIS 228.A N LEU 225.A O no hydrogen 2.936 N/A SER 229.A N ALA 224.A O no hydrogen 2.911 N/A SER 229.A OG PRO 230.A O no hydrogen 2.722 N/A GLU 231.A N MET 167.A O no hydrogen 3.052 N/A ARG 235.A N GLU 231.A O no hydrogen 2.833 N/A ARG 235.A NH1 GLU 177.A OE1 no hydrogen 3.098 N/A LEU 236.A N THR 232.A O no hydrogen 3.043 N/A GLY 237.A N VAL 234.A O no hydrogen 2.901 N/A LEU 238.A N PRO 233.A O no hydrogen 2.985 N/A GLY 240.A N GLY 237.A O no hydrogen 3.211 N/A ASN 242.A ND2 LEU 291.A O no hydrogen 3.416 N/A SER 243.A OG MET 269.A O no hydrogen 2.589 N/A VAL 244.A N GLY 240.A O no hydrogen 2.877 N/A LEU 245.A N PHE 241.A O no hydrogen 3.284 N/A CYS 246.A N ASN 242.A O no hydrogen 2.884 N/A CYS 246.A SG ASN 242.A O no hydrogen 3.108 N/A CYS 246.A SG CYS 268.A O no hydrogen 3.714 N/A CYS 246.A SG THR 299.A OG1 no hydrogen 3.582 N/A GLY 247.A N SER 243.A O no hydrogen 2.882 N/A ILE 248.A N VAL 244.A O no hydrogen 2.959 N/A ALA 249.A N LEU 245.A O no hydrogen 2.971 N/A MET 250.A N CYS 246.A O no hydrogen 3.008 N/A GLY 251.A N GLY 247.A O no hydrogen 2.762 N/A GLY 252.A N MET 250.A O no hydrogen 3.048 N/A PHE 254.A N ALA 249.A O no hydrogen 3.165 N/A TYR 256.A N ALA 313.A O no hydrogen 3.064 N/A ASN 258.A N THR 261.A OG1 no hydrogen 2.790 N/A ARG 260.A NE ASN 311.A O no hydrogen 3.454 N/A THR 261.A N ASN 258.A OD1 no hydrogen 2.945 N/A THR 261.A OG1 TYR 256.A O no hydrogen 2.693 N/A THR 261.A OG1 ASN 258.A O no hydrogen 3.132 N/A THR 261.A OG1 ASN 258.A OD1 no hydrogen 3.390 N/A PHE 262.A N ASN 258.A O no hydrogen 2.800 N/A LEU 263.A N ILE 259.A O no hydrogen 3.164 N/A TYR 264.A N ARG 260.A O no hydrogen 2.970 N/A TYR 264.A OH PHE 302.A O no hydrogen 2.689 N/A ALA 265.A N THR 261.A O no hydrogen 2.842 N/A LEU 266.A N PHE 262.A O no hydrogen 3.010 N/A GLY 267.A N LEU 263.A O no hydrogen 3.062 N/A CYS 268.A N TYR 264.A O no hydrogen 3.115 N/A CYS 268.A SG THR 299.A OG1 no hydrogen 3.653 N/A MET 269.A N ALA 265.A O no hydrogen 2.927 N/A VAL 270.A N LEU 266.A O no hydrogen 2.968 N/A LEU 271.A N GLY 267.A O no hydrogen 3.069 N/A GLY 272.A N CYS 268.A O no hydrogen 2.979 N/A ALA 273.A N MET 269.A O no hydrogen 3.317 N/A ILE 274.A N VAL 270.A O no hydrogen 3.133 N/A ALA 275.A N LEU 271.A O no hydrogen 2.680 N/A THR 276.A N GLY 272.A O no hydrogen 3.089 N/A THR 276.A N ALA 273.A O no hydrogen 3.184 N/A THR 276.A OG1 GLY 272.A O no hydrogen 2.800 N/A ALA 278.A N ILE 274.A O no hydrogen 3.173 N/A PHE 279.A N ALA 275.A O no hydrogen 2.926 N/A SER 280.A N THR 276.A O no hydrogen 3.141 N/A VAL 281.A N GLY 277.A O no hydrogen 3.099 N/A LEU 282.A N ALA 278.A O no hydrogen 3.005 N/A LEU 283.A N PHE 279.A O no hydrogen 3.245 N/A SER 284.A N VAL 281.A O no hydrogen 3.032 N/A SER 284.A OG VAL 281.A O no hydrogen 2.698 N/A ILE 286.A N LEU 283.A O no hydrogen 3.142 N/A GLY 287.A N SER 284.A O no hydrogen 2.909 N/A MET 288.A N LEU 283.A O no hydrogen 3.281 N/A THR 292.A OG1 THR 132.A OG1 no hydrogen 2.804 N/A TRP 293.A N ALA 290.A O no hydrogen 2.998 N/A PHE 295.A N ASN 242.A OD1 no hydrogen 3.158 N/A ILE 296.A N THR 292.A O no hydrogen 2.941 N/A VAL 297.A N TRP 293.A O no hydrogen 2.869 N/A VAL 298.A N PRO 294.A O no hydrogen 3.113 N/A THR 299.A N PHE 295.A O no hydrogen 2.795 N/A THR 299.A OG1 PHE 295.A O no hydrogen 2.749 N/A TRP 300.A N ILE 296.A O no hydrogen 2.906 N/A TRP 300.A NE1 PRO 129.A O no hydrogen 2.814 N/A LEU 301.A N VAL 297.A O no hydrogen 3.051 N/A PHE 302.A N VAL 298.A O no hydrogen 3.030 N/A LEU 303.A N THR 299.A O no hydrogen 2.830 N/A PHE 304.A N TRP 300.A O no hydrogen 2.858 N/A ALA 305.A N LEU 301.A O no hydrogen 3.030 N/A GLY 306.A N PHE 302.A O no hydrogen 3.166 N/A MET 308.A N ALA 305.A O no hydrogen 3.015 N/A PHE 309.A N GLY 306.A O no hydrogen 3.147 N/A ILE 312.A N PHE 309.A O no hydrogen 3.217 N/A GLN 314.A NE2 PHE 254.A O no hydrogen 3.625 N/A VAL 315.A N PHE 254.A O no hydrogen 2.805 N/A THR 317.A OG1 GLY 127.A O no hydrogen 2.456 N/A LYS 319.A N PRO 316.A O no hydrogen 3.028 N/A ALA 320.A N THR 317.A O no hydrogen 3.115 N/A GLY 321.A N ASN 326.A OD1 no hydrogen 3.088 N/A THR 322.A OG1 ASP 325.A OD2 no hydrogen 2.650 N/A GLU 324.A N GLU 324.A OE1 no hydrogen 2.806 N/A ASP 325.A N THR 322.A OG1 no hydrogen 2.953 N/A ASN 326.A N THR 322.A O no hydrogen 2.854 N/A ASN 326.A ND2 GLY 252.A O no hydrogen 2.838 N/A ASN 326.A ND2 ILE 253.A O no hydrogen 2.830 N/A LEU 327.A N PRO 323.A O no hydrogen 3.031 N/A ARG 328.A N GLU 324.A O no hydrogen 3.052 N/A SER 329.A N ASP 325.A O no hydrogen 3.106 N/A LEU 330.A N ASN 326.A O no hydrogen 3.190 N/A ALA 331.A N LEU 327.A O no hydrogen 3.174 N/A ILE 332.A N SER 329.A O no hydrogen 3.262 N/A