Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N ASP 63.A OD2 no hydrogen 3.068 N/A LEU 3.A N ARG 23.A O no hydrogen 2.730 N/A ILE 4.A N GLY 64.A O no hydrogen 3.028 N/A SER 5.A N CYS 26.A O no hydrogen 2.838 N/A SER 5.A OG SER 8.A OG no hydrogen 3.194 N/A SER 5.A OG ASP 14.A OD2 no hydrogen 2.933 N/A LEU 6.A N ILE 66.A O no hydrogen 3.018 N/A SER 8.A N ASN 28.A O no hydrogen 3.290 N/A SER 8.A OG SER 5.A O no hydrogen 3.021 N/A SER 8.A OG SER 5.A OG no hydrogen 3.194 N/A GLY 9.A N GLU 29.A OE1 no hydrogen 2.934 N/A LEU 15.A N GLY 11.A O no hydrogen 3.220 N/A GLY 16.A N GLY 12.A O no hydrogen 3.391 N/A PHE 17.A N LEU 13.A O no hydrogen 3.001 N/A GLN 18.A N ASP 14.A O no hydrogen 2.974 N/A LYS 19.A N LEU 15.A O no hydrogen 2.986 N/A ALA 20.A N PHE 17.A O no hydrogen 3.097 N/A GLY 21.A N GLN 18.A O no hydrogen 3.102 N/A PHE 22.A N PHE 17.A O no hydrogen 3.006 N/A ARG 23.A N MET 1.A O no hydrogen 3.165 N/A ARG 23.A NH1 ASN 2.A OD1 no hydrogen 3.545 N/A ILE 25.A N LEU 3.A O no hydrogen 3.109 N/A CYS 26.A SG ALA 27.A O no hydrogen 3.980 N/A CYS 26.A SG LYS 45.A O no hydrogen 3.706 N/A ALA 27.A N LYS 45.A O no hydrogen 2.875 N/A ASN 28.A N SER 5.A O no hydrogen 2.926 N/A ASN 28.A ND2 ILE 47.A O no hydrogen 2.690 N/A ASN 28.A ND2 GLY 49.A O no hydrogen 3.513 N/A GLU 29.A N ILE 47.A O no hydrogen 3.324 N/A ASP 31.A N GLU 29.A OE2 no hydrogen 2.845 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.991 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.714 N/A ILE 34.A N ASP 31.A O no hydrogen 3.155 N/A TRP 35.A NE1 GLU 29.A O no hydrogen 3.057 N/A TYR 38.A N ILE 34.A O no hydrogen 3.142 N/A TYR 38.A OH ASP 14.A OD1 no hydrogen 2.670 N/A GLU 39.A N TRP 35.A O no hydrogen 2.992 N/A SER 40.A N LYS 36.A O no hydrogen 3.153 N/A SER 40.A OG LYS 36.A O no hydrogen 2.834 N/A ASN 41.A N TYR 38.A O no hydrogen 3.285 N/A ASN 41.A ND2 THR 37.A O no hydrogen 2.756 N/A ASN 41.A ND2 ILE 291.A O no hydrogen 3.060 N/A HIS 42.A NE2 ALA 10.A O no hydrogen 3.067 N/A LYS 45.A N ILE 25.A O no hydrogen 3.336 N/A ILE 47.A N ALA 27.A O no hydrogen 2.875 N/A SER 52.A N ASP 50.A OD2 no hydrogen 2.698 N/A SER 52.A OG ASP 50.A OD2 no hydrogen 2.997 N/A SER 52.A OG GLU 93.A OE2 no hydrogen 3.275 N/A LYS 53.A N ASP 50.A O no hydrogen 3.120 N/A SER 55.A N GLU 58.A OE1 no hydrogen 3.184 N/A SER 55.A OG ASP 57.A OD1 no hydrogen 2.776 N/A ASP 57.A N ASP 57.A OD1 no hydrogen 2.542 N/A GLU 58.A N SER 55.A O no hydrogen 3.084 N/A PHE 59.A N SER 56.A O no hydrogen 3.074 N/A CYS 62.A SG GLY 64.A O no hydrogen 3.816 N/A ASP 63.A N ASN 2.A O no hydrogen 2.787 N/A ILE 65.A N PHE 105.A O no hydrogen 3.171 N/A ILE 66.A N ILE 4.A O no hydrogen 3.001 N/A SER 73.A N PRO 70.A O no hydrogen 2.842 N/A SER 73.A OG PRO 70.A O no hydrogen 2.765 N/A TRP 74.A N SER 71.A O no hydrogen 3.004 N/A TRP 74.A NE1 PRO 69.A O no hydrogen 2.887 N/A GLU 76.A N SER 79.A O no hydrogen 2.931 N/A SER 79.A N GLU 76.A O no hydrogen 2.973 N/A LEU 80.A N GLU 125.A OE1 no hydrogen 2.861 N/A ARG 81.A N TRP 74.A O no hydrogen 3.172 N/A ARG 81.A NE GLN 72.A O no hydrogen 2.882 N/A ARG 81.A NH1 GLU 76.A OE1 no hydrogen 3.216 N/A ARG 81.A NH1 ASP 85.A OD2 no hydrogen 3.034 N/A ARG 81.A NH2 GLN 72.A O no hydrogen 3.106 N/A ARG 81.A NH2 GLU 76.A OE1 no hydrogen 3.255 N/A ASP 85.A N GLY 82.A O no hydrogen 3.043 N/A ARG 87.A N ASP 85.A OD1 no hydrogen 2.840 N/A GLY 88.A N ASP 85.A O no hydrogen 2.830 N/A LYS 89.A NZ ASP 50.A OD1 no hydrogen 2.740 N/A LYS 89.A NZ ASP 50.A OD2 no hydrogen 3.499 N/A PHE 91.A N GLY 88.A O no hydrogen 3.136 N/A TYR 92.A N GLY 88.A O no hydrogen 3.493 N/A TYR 92.A OH ARG 81.A O no hydrogen 2.694 N/A GLU 93.A N LYS 89.A O no hydrogen 3.138 N/A TYR 94.A N LEU 90.A O no hydrogen 3.188 N/A TYR 94.A OH GLY 67.A O no hydrogen 3.302 N/A ILE 95.A N PHE 91.A O no hydrogen 3.241 N/A ARG 96.A N TYR 92.A O no hydrogen 3.085 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 2.848 N/A ARG 96.A NH1 ILE 54.A O no hydrogen 3.384 N/A ARG 96.A NH1 GLN 100.A OE1 no hydrogen 3.192 N/A ARG 96.A NH2 ILE 54.A O no hydrogen 3.141 N/A ARG 96.A NH2 GLU 93.A OE1 no hydrogen 2.806 N/A ILE 97.A N GLU 93.A O no hydrogen 3.170 N/A LEU 98.A N TYR 94.A O no hydrogen 3.181 N/A LYS 99.A N ILE 95.A O no hydrogen 3.129 N/A GLN 100.A N ARG 96.A O no hydrogen 3.008 N/A LYS 101.A N ILE 97.A O no hydrogen 2.894 N/A LYS 101.A NZ SER 56.A O no hydrogen 3.446 N/A LYS 101.A NZ PHE 59.A O no hydrogen 2.990 N/A LYS 101.A NZ PRO 60.A O no hydrogen 3.123 N/A LYS 102.A N LEU 98.A O no hydrogen 3.118 N/A LYS 102.A NZ LYS 99.A O no hydrogen 2.759 N/A ILE 104.A N ASP 63.A O no hydrogen 2.811 N/A PHE 106.A N GLY 160.A O no hydrogen 3.069 N/A LEU 107.A N ILE 65.A O no hydrogen 2.896 N/A ALA 108.A N TYR 158.A O no hydrogen 3.126 N/A ASN 110.A N VAL 156.A O no hydrogen 2.822 N/A VAL 111.A N SER 71.A OG no hydrogen 3.014 N/A LYS 112.A N ASN 110.A OD1 no hydrogen 2.782 N/A MET 115.A N LYS 112.A O no hydrogen 2.825 N/A GLN 117.A N MET 114.A O no hydrogen 3.130 N/A ARG 118.A NH2 VAL 137.A O no hydrogen 3.057 N/A ASN 120.A N GLN 117.A O no hydrogen 3.072 N/A GLN 124.A N ASN 120.A O no hydrogen 2.930 N/A GLN 124.A NE2 ARG 118.A O no hydrogen 2.796 N/A GLU 125.A N LYS 121.A O no hydrogen 3.122 N/A PHE 126.A N ALA 122.A O no hydrogen 2.996 N/A ILE 127.A N VAL 123.A O no hydrogen 2.922 N/A GLN 128.A N GLN 124.A O no hydrogen 3.176 N/A GLU 129.A N GLU 125.A O no hydrogen 3.177 N/A PHE 130.A N PHE 126.A O no hydrogen 3.026 N/A ASP 131.A N ILE 127.A O no hydrogen 2.852 N/A ASN 132.A N GLN 128.A O no hydrogen 2.895 N/A ALA 133.A N GLU 129.A O no hydrogen 2.938 N/A GLY 134.A N ASP 131.A O no hydrogen 2.832 N/A TYR 135.A N PHE 130.A O no hydrogen 2.997 N/A TYR 135.A OH PRO 103.A O no hydrogen 2.637 N/A ASP 136.A N PHE 161.A O no hydrogen 2.825 N/A HIS 138.A N ILE 159.A O no hydrogen 2.795 N/A ILE 140.A N PHE 157.A O no hydrogen 3.119 N/A LEU 142.A N ARG 155.A O no hydrogen 2.963 N/A ALA 144.A N ARG 153.A O no hydrogen 2.882 N/A ASN 145.A N ASN 143.A OD1 no hydrogen 3.077 N/A ASP 146.A N ASN 143.A O no hydrogen 2.770 N/A TYR 147.A N ALA 144.A O no hydrogen 2.845 N/A TYR 147.A OH PRO 172.A O no hydrogen 3.248 N/A GLN 151.A NE2 VAL 283.A O no hydrogen 3.475 N/A GLN 151.A NE2 GLN 284.A OE1 no hydrogen 2.946 N/A ASP 152.A N ALA 235.A O no hydrogen 2.927 N/A ARG 153.A N ASN 143.A OD1 no hydrogen 3.224 N/A ARG 153.A NH1 GLN 151.A OE1 no hydrogen 3.106 N/A ARG 153.A NH1 VAL 238.A O no hydrogen 3.283 N/A ARG 153.A NH2 GLY 305.A O no hydrogen 2.761 N/A ARG 155.A N LEU 142.A O no hydrogen 3.008 N/A ARG 155.A NH2 GLU 109.A OE2 no hydrogen 2.900 N/A VAL 156.A N ASN 110.A O no hydrogen 2.990 N/A PHE 157.A N ILE 140.A O no hydrogen 2.839 N/A TYR 158.A N ALA 108.A O no hydrogen 2.828 N/A TYR 158.A OH MET 115.A O no hydrogen 2.971 N/A ILE 159.A N HIS 138.A O no hydrogen 2.880 N/A GLY 160.A N PHE 106.A O no hydrogen 3.196 N/A PHE 161.A N ASP 136.A O no hydrogen 2.972 N/A ARG 162.A N ILE 104.A O no hydrogen 3.079 N/A ARG 162.A NE GLU 164.A OE2 no hydrogen 2.918 N/A ARG 162.A NH1 TYR 135.A OH no hydrogen 3.463 N/A LYS 163.A N GLY 134.A O no hydrogen 3.386 N/A LYS 163.A NZ ASP 131.A O no hydrogen 3.161 N/A LYS 163.A NZ ASP 131.A OD2 no hydrogen 3.279 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.660 N/A LEU 165.A N ARG 162.A O no hydrogen 3.158 N/A ASN 166.A N LYS 163.A O no hydrogen 3.274 N/A TYR 169.A OH THR 319.A OG1 no hydrogen 2.832 N/A HIS 175.A N ASP 146.A O no hydrogen 2.860 N/A THR 180.A N ASP 183.A OD2 no hydrogen 3.182 N/A THR 180.A OG1 ASP 183.A OD2 no hydrogen 3.086 N/A PHE 181.A N GLU 233.A O no hydrogen 3.158 N/A LYS 182.A N TRP 231.A O no hydrogen 3.221 N/A ASP 183.A N THR 180.A O no hydrogen 2.939 N/A VAL 184.A N PHE 181.A O no hydrogen 3.024 N/A ILE 185.A N PHE 181.A O no hydrogen 3.149 N/A LEU 188.A N ILE 185.A O no hydrogen 3.160 N/A LYS 189.A NZ ASP 190.A OD1 no hydrogen 3.207 N/A LYS 189.A NZ ASP 190.A OD2 no hydrogen 3.335 N/A ILE 193.A N HIS 211.A O no hydrogen 3.452 N/A ALA 195.A N TYR 213.A O no hydrogen 3.085 N/A LEU 196.A N LYS 200.A O no hydrogen 2.926 N/A ASN 199.A ND2 ILE 215.A O no hydrogen 3.068 N/A LYS 200.A N LEU 196.A O no hydrogen 3.275 N/A LYS 200.A NZ SER 296.A OG no hydrogen 3.133 N/A THR 201.A N GLU 295.A O no hydrogen 2.914 N/A THR 201.A OG1 GLU 212.A OE1 no hydrogen 3.504 N/A THR 201.A OG1 GLU 212.A OE2 no hydrogen 2.640 N/A ASN 202.A N GLU 212.A OE1 no hydrogen 2.733 N/A ASN 202.A ND2 PRO 194.A O no hydrogen 3.030 N/A ASN 202.A ND2 GLU 212.A OE1 no hydrogen 2.893 N/A GLY 203.A N THR 201.A OG1 no hydrogen 2.895 N/A ASN 204.A N ASN 204.A OD1 no hydrogen 2.522 N/A LYS 205.A N ASN 202.A O no hydrogen 3.208 N/A CYS 206.A N GLY 203.A O no hydrogen 3.420 N/A CYS 206.A SG GLY 203.A O no hydrogen 3.561 N/A TYR 208.A OH ASP 288.A OD2 no hydrogen 2.720 N/A ASN 210.A ND2 PHE 292.A O no hydrogen 3.146 N/A ASN 210.A ND2 TYR 294.A OH no hydrogen 3.501 N/A HIS 211.A N TYR 208.A O no hydrogen 2.717 N/A HIS 211.A ND1 THR 276.A OG1 no hydrogen 2.912 N/A HIS 211.A NE2 LEU 188.A O no hydrogen 2.877 N/A TYR 213.A N ILE 193.A O no hydrogen 3.068 N/A PHE 214.A N TYR 301.A OH no hydrogen 3.071 N/A ILE 215.A N ASN 199.A OD1 no hydrogen 2.842 N/A PHE 222.A N SER 219.A OG no hydrogen 3.362 N/A MET 223.A N SER 219.A O no hydrogen 3.091 N/A SER 224.A N ILE 221.A O no hydrogen 3.141 N/A SER 224.A OG ILE 221.A O no hydrogen 2.584 N/A ARG 225.A NH1 SER 224.A O no hydrogen 2.831 N/A ARG 225.A NH1 ASN 260.A OD1 no hydrogen 3.217 N/A ASN 226.A ND2 VAL 228.A O no hydrogen 3.146 N/A ARG 227.A NE PHE 222.A O no hydrogen 2.894 N/A ARG 227.A NH2 ILE 221.A O no hydrogen 2.965 N/A ARG 229.A NH2 ASP 152.A OD2 no hydrogen 2.829 N/A ARG 229.A NH2 PRO 234.A O no hydrogen 2.750 N/A GLN 230.A N GLU 233.A OE1 no hydrogen 2.850 N/A GLU 233.A N GLN 230.A O no hydrogen 2.925 N/A ALA 235.A N ALA 150.A O no hydrogen 3.253 N/A PHE 236.A N GLN 246.A OE1 no hydrogen 2.799 N/A THR 237.A OG1 ASP 152.A O no hydrogen 2.503 N/A VAL 238.A N GLN 151.A OE1 no hydrogen 2.724 N/A GLY 242.A N ASN 298.A OD1 no hydrogen 3.071 N/A GLN 244.A N SER 241.A OG no hydrogen 3.141 N/A CYS 245.A N GLY 242.A O no hydrogen 3.288 N/A CYS 245.A SG GLN 246.A O no hydrogen 3.491 N/A CYS 245.A SG LEU 275.A O no hydrogen 3.828 N/A GLN 246.A NE2 PHE 236.A O no hydrogen 2.803 N/A LEU 247.A N ARG 227.A O no hydrogen 3.158 N/A HIS 248.A N ARG 273.A O no hydrogen 2.787 N/A GLN 250.A N HIS 248.A ND1 no hydrogen 3.195 N/A GLN 250.A NE2 LEU 271.A O no hydrogen 3.185 N/A ALA 251.A N HIS 248.A O no hydrogen 3.316 N/A MET 254.A N ASN 226.A OD1 no hydrogen 3.013 N/A LEU 255.A N LYS 263.A O no hydrogen 3.089 N/A VAL 257.A N LEU 261.A O no hydrogen 3.137 N/A SER 258.A N LEU 261.A O no hydrogen 3.309 N/A ASN 262.A N MET 223.A O no hydrogen 2.796 N/A ASN 262.A ND2 LEU 255.A O no hydrogen 3.551 N/A LYS 263.A N LEU 255.A O no hydrogen 3.009 N/A LYS 263.A NZ GLU 266.A OE2 no hydrogen 3.268 N/A VAL 265.A N TYR 272.A OH no hydrogen 3.221 N/A GLY 267.A N GLU 269.A OE1 no hydrogen 3.110 N/A GLY 267.A N GLU 269.A OE2 no hydrogen 3.399 N/A LYS 268.A N VAL 265.A O no hydrogen 2.994 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 3.031 N/A LEU 271.A N LYS 268.A O no hydrogen 3.097 N/A TYR 272.A N GLU 269.A O no hydrogen 3.269 N/A TYR 272.A OH PRO 252.A O no hydrogen 2.809 N/A ARG 273.A NH1 GLU 279.A OE2 no hydrogen 3.039 N/A ARG 273.A NH2 ARG 274.A O no hydrogen 2.986 N/A ARG 273.A NH2 GLU 279.A OE1 no hydrogen 3.212 N/A ARG 274.A NE ARG 243.A O no hydrogen 3.536 N/A ARG 274.A NH1 GLY 216.A O no hydrogen 3.448 N/A ARG 274.A NH1 SER 217.A O no hydrogen 3.235 N/A ARG 274.A NH1 ARG 243.A O no hydrogen 3.319 N/A ARG 274.A NH2 GLY 216.A O no hydrogen 2.950 N/A LEU 275.A N GLN 246.A O no hydrogen 3.168 N/A THR 276.A N GLU 279.A OE1 no hydrogen 2.814 N/A THR 276.A OG1 HIS 211.A ND1 no hydrogen 2.912 N/A VAL 277.A N GLU 212.A O no hydrogen 2.999 N/A ARG 278.A N ASN 210.A O no hydrogen 2.882 N/A ARG 278.A NE PRO 209.A O no hydrogen 2.781 N/A ARG 278.A NH1 PRO 287.A O no hydrogen 3.436 N/A ARG 278.A NH1 PHE 290.A O no hydrogen 3.270 N/A ARG 278.A NH2 PRO 209.A O no hydrogen 3.294 N/A ARG 278.A NH2 ASN 210.A OD1 no hydrogen 2.930 N/A ARG 278.A NH2 PHE 290.A O no hydrogen 2.948 N/A GLU 279.A N THR 276.A OG1 no hydrogen 3.108 N/A CYS 280.A N THR 276.A O no hydrogen 3.051 N/A CYS 280.A SG THR 276.A O no hydrogen 3.620 N/A ALA 281.A N VAL 277.A O no hydrogen 3.041 N/A ARG 282.A N ARG 278.A O no hydrogen 2.937 N/A ARG 282.A NE ASP 288.A OD1 no hydrogen 2.877 N/A ARG 282.A NH1 VAL 184.A O no hydrogen 2.707 N/A ARG 282.A NH1 ASP 187.A OD1 no hydrogen 2.874 N/A ARG 282.A NH2 ASP 187.A OD1 no hydrogen 3.548 N/A ARG 282.A NH2 ASP 187.A OD2 no hydrogen 3.359 N/A ARG 282.A NH2 ASP 288.A OD2 no hydrogen 2.817 N/A VAL 283.A N GLU 279.A O no hydrogen 3.141 N/A GLN 284.A N CYS 280.A O no hydrogen 2.979 N/A GLN 284.A N ALA 281.A O no hydrogen 3.199 N/A GLN 284.A NE2 ILE 304.A O no hydrogen 2.705 N/A GLN 284.A NE2 ALA 307.A O no hydrogen 2.917 N/A GLY 285.A N ARG 282.A O no hydrogen 3.175 N/A PHE 286.A N ALA 281.A O no hydrogen 2.918 N/A PHE 290.A N PRO 287.A O no hydrogen 3.084 N/A ILE 291.A N ASN 41.A OD1 no hydrogen 3.259 N/A PHE 292.A N ASN 210.A OD1 no hydrogen 3.103 N/A HIS 293.A N THR 37.A OG1 no hydrogen 3.130 N/A TYR 294.A OH GLU 212.A OE2 no hydrogen 2.839 N/A LEU 297.A N ASN 199.A O no hydrogen 3.240 N/A ASP 299.A N SER 296.A O no hydrogen 3.114 N/A TYR 301.A N LEU 297.A O no hydrogen 3.015 N/A TYR 301.A OH LEU 275.A O no hydrogen 2.636 N/A LYS 302.A N ASN 298.A O no hydrogen 2.904 N/A MET 303.A N ASP 299.A O no hydrogen 3.152 N/A ILE 304.A N GLY 300.A O no hydrogen 3.230 N/A GLY 305.A N TYR 301.A O no hydrogen 2.807 N/A ASN 306.A N LYS 302.A O no hydrogen 2.940 N/A ALA 307.A N ILE 304.A O no hydrogen 3.261 N/A VAL 310.A N GLN 284.A O no hydrogen 2.878 N/A ALA 313.A N PRO 309.A O no hydrogen 2.996 N/A TYR 314.A N VAL 310.A O no hydrogen 2.992 N/A GLU 315.A N ASN 311.A O no hydrogen 2.946 N/A ILE 316.A N LEU 312.A O no hydrogen 3.135 N/A ALA 317.A N ALA 313.A O no hydrogen 2.922 N/A LYS 318.A N TYR 314.A O no hydrogen 3.052 N/A THR 319.A OG1 TYR 169.A OH no hydrogen 2.832 N/A THR 319.A OG1 ILE 316.A O no hydrogen 2.613 N/A ILE 320.A N ILE 316.A O no hydrogen 3.217 N/A LYS 321.A N ALA 317.A O no hydrogen 2.988 N/A LYS 321.A NZ ALA 20.A O no hydrogen 3.112 N/A SER 322.A N LYS 318.A O no hydrogen 3.039 N/A SER 322.A OG LYS 318.A O no hydrogen 3.555 N/A SER 322.A OG THR 319.A O no hydrogen 3.110 N/A ALA 323.A N THR 319.A O no hydrogen 3.198 N/A LEU 324.A N ILE 320.A O no hydrogen 3.142 N/A GLU 325.A N LYS 321.A O no hydrogen 3.083 N/A ILE 326.A N SER 322.A O no hydrogen 2.860 N/A CYS 327.A N ALA 323.A O no hydrogen 2.993 N/A CYS 327.A SG ALA 323.A O no hydrogen 3.585 N/A