Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ALA 30.A O no hydrogen 2.788 N/A LEU 4.A N CYS 79.A O no hydrogen 3.209 N/A ILE 5.A N HIS 32.A O no hydrogen 3.005 N/A MET 6.A N LEU 81.A O no hydrogen 2.882 N/A ALA 7.A N LEU 34.A O no hydrogen 3.298 N/A GLY 8.A N GLY 84.A O no hydrogen 3.228 N/A GLY 9.A N GLU 41.A OE1 no hydrogen 3.167 N/A GLY 11.A N SER 170.A OG no hydrogen 3.030 N/A HIS 13.A N THR 10.A O no hydrogen 3.480 N/A HIS 13.A ND1 LEU 83.A O no hydrogen 3.117 N/A HIS 13.A ND1 GLN 107.A OE1 no hydrogen 3.050 N/A VAL 14.A N THR 10.A O no hydrogen 3.261 N/A PHE 15.A N GLY 11.A O no hydrogen 2.877 N/A LEU 18.A N VAL 14.A O no hydrogen 2.954 N/A ALA 19.A N PHE 15.A O no hydrogen 3.277 N/A CYS 20.A N PRO 16.A O no hydrogen 3.071 N/A CYS 20.A SG PRO 16.A O no hydrogen 3.267 N/A ALA 21.A N ALA 17.A O no hydrogen 2.814 N/A ARG 22.A N LEU 18.A O no hydrogen 3.278 N/A GLU 23.A N ALA 19.A O no hydrogen 3.442 N/A PHE 24.A N CYS 20.A O no hydrogen 3.021 N/A GLN 25.A N ALA 21.A O no hydrogen 3.176 N/A ALA 26.A N ARG 22.A O no hydrogen 3.082 N/A ARG 27.A N GLU 23.A O no hydrogen 3.356 N/A ARG 27.A NE GLU 23.A OE2 no hydrogen 2.912 N/A ARG 27.A NH2 GLU 23.A OE2 no hydrogen 2.951 N/A ARG 27.A NH2 ARG 321.A O no hydrogen 3.179 N/A GLY 28.A N GLN 25.A O no hydrogen 3.253 N/A TYR 29.A N PHE 24.A O no hydrogen 3.077 N/A ALA 30.A N GLY 1.A O no hydrogen 3.017 N/A HIS 32.A N VAL 3.A O no hydrogen 2.887 N/A HIS 32.A ND1 HIS 53.A NE2 no hydrogen 2.995 N/A TRP 33.A N PRO 51.A O no hydrogen 2.837 N/A TRP 33.A NE1 ALA 7.A O no hydrogen 2.979 N/A LEU 34.A N ILE 5.A O no hydrogen 2.690 N/A GLY 35.A N HIS 53.A O no hydrogen 2.872 N/A THR 36.A N GLU 41.A OE2 no hydrogen 3.010 N/A THR 36.A OG1 PRO 37.A O no hydrogen 3.195 N/A GLY 39.A N PRO 37.A O no hydrogen 2.837 N/A ILE 40.A N GLY 9.A O no hydrogen 3.207 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.850 N/A ASN 42.A ND2 THR 36.A O no hydrogen 3.173 N/A ASN 42.A ND2 GLY 39.A O no hydrogen 2.941 N/A ASP 43.A N ILE 40.A O no hydrogen 3.070 N/A LEU 44.A N ILE 40.A O no hydrogen 3.155 N/A VAL 45.A N GLU 41.A O no hydrogen 2.900 N/A ALA 48.A N LEU 44.A O no hydrogen 3.275 N/A ALA 48.A N VAL 45.A O no hydrogen 3.165 N/A GLY 49.A N PRO 46.A O no hydrogen 3.120 N/A LEU 50.A N VAL 45.A O no hydrogen 3.458 N/A HIS 53.A N TRP 33.A O no hydrogen 3.072 N/A HIS 53.A NE2 HIS 32.A ND1 no hydrogen 2.995 N/A ILE 55.A N GLY 35.A O no hydrogen 2.742 N/A GLN 56.A N GLN 67.A OE1 no hydrogen 2.887 N/A LEU 62.A N PRO 58.A O no hydrogen 3.231 N/A LYS 63.A N LEU 59.A O no hydrogen 3.353 N/A LYS 63.A NZ GLU 60.A OE2 no hydrogen 2.853 N/A SER 64.A N GLU 60.A O no hydrogen 3.401 N/A SER 64.A OG GLN 56.A O no hydrogen 2.703 N/A SER 64.A OG GLU 60.A O no hydrogen 3.056 N/A LEU 65.A N LEU 61.A O no hydrogen 3.198 N/A PHE 66.A N LEU 62.A O no hydrogen 2.972 N/A GLN 67.A N LYS 63.A O no hydrogen 3.413 N/A GLN 67.A NE2 LYS 63.A O no hydrogen 2.680 N/A ALA 68.A N SER 64.A O no hydrogen 3.179 N/A LEU 69.A N LEU 65.A O no hydrogen 2.741 N/A ARG 70.A N PHE 66.A O no hydrogen 2.881 N/A VAL 71.A N GLN 67.A O no hydrogen 3.003 N/A ILE 72.A N ALA 68.A O no hydrogen 3.040 N/A ARG 73.A N LEU 69.A O no hydrogen 2.991 N/A GLN 74.A N ARG 70.A O no hydrogen 2.900 N/A LEU 75.A N VAL 71.A O no hydrogen 3.153 N/A ARG 76.A N ILE 72.A O no hydrogen 2.898 N/A VAL 78.A N ASN 2.A O no hydrogen 2.915 N/A CYS 79.A SG PRO 101.A O no hydrogen 3.848 N/A CYS 79.A SG CYS 327.A O no hydrogen 3.354 N/A VAL 80.A N PRO 101.A O no hydrogen 3.134 N/A LEU 81.A N LEU 4.A O no hydrogen 2.810 N/A GLY 82.A N VAL 103.A O no hydrogen 3.018 N/A LEU 83.A N MET 6.A O no hydrogen 2.799 N/A THR 88.A OG1 GLY 85.A O no hydrogen 3.474 N/A GLY 91.A N VAL 87.A O no hydrogen 2.844 N/A GLY 92.A N THR 88.A O no hydrogen 2.676 N/A LEU 93.A N GLY 89.A O no hydrogen 3.321 N/A ALA 94.A N PRO 90.A O no hydrogen 3.249 N/A ALA 95.A N GLY 91.A O no hydrogen 3.130 N/A ARG 96.A N GLY 92.A O no hydrogen 3.440 N/A LEU 97.A N LEU 93.A O no hydrogen 2.995 N/A ASN 98.A N ALA 94.A O no hydrogen 3.260 N/A GLY 99.A N ARG 96.A O no hydrogen 2.920 N/A VAL 100.A N ALA 95.A O no hydrogen 2.973 N/A VAL 103.A N VAL 80.A O no hydrogen 3.033 N/A ILE 104.A N ARG 124.A O no hydrogen 3.117 N/A HIS 105.A N GLY 82.A O no hydrogen 3.083 N/A HIS 105.A NE2 ASN 141.A OD1 no hydrogen 3.267 N/A GLU 106.A N CYS 126.A O no hydrogen 2.861 N/A GLN 107.A NE2 LEU 83.A O no hydrogen 2.820 N/A ASN 108.A N GLU 106.A OE2 no hydrogen 3.013 N/A ALA 109.A N ASN 267.A OD1 no hydrogen 2.787 N/A GLY 112.A N GLU 106.A OE1 no hydrogen 3.036 N/A ARG 116.A N GLY 112.A O no hydrogen 2.923 N/A ARG 116.A NH2 ALA 111.A O no hydrogen 3.075 N/A SER 117.A N THR 113.A O no hydrogen 3.103 N/A SER 117.A OG THR 113.A O no hydrogen 3.038 N/A LEU 118.A N ALA 114.A O no hydrogen 2.755 N/A ALA 119.A N ASN 115.A O no hydrogen 2.836 N/A ILE 121.A N LEU 118.A O no hydrogen 2.956 N/A ALA 122.A N LEU 118.A O no hydrogen 3.238 N/A ALA 122.A N ALA 119.A O no hydrogen 3.308 N/A ARG 123.A N LEU 102.A O no hydrogen 2.669 N/A ARG 124.A NH1 GLU 329.A OE1 no hydrogen 2.900 N/A CYS 126.A N ILE 104.A O no hydrogen 2.696 N/A GLU 127.A N LEU 137.A O no hydrogen 3.030 N/A ALA 128.A N GLU 106.A O no hydrogen 2.849 N/A THR 132.A OG1 ALA 109.A O no hydrogen 2.911 N/A PHE 133.A N GLU 127.A OE1 no hydrogen 3.278 N/A ALA 135.A N PHE 133.A O no hydrogen 2.956 N/A ARG 136.A NH1 GLU 127.A OE2 no hydrogen 2.761 N/A LEU 137.A N VAL 125.A O no hydrogen 3.035 N/A THR 138.A OG1 GLU 127.A OE2 no hydrogen 2.619 N/A THR 139.A N GLU 127.A O no hydrogen 3.178 N/A THR 139.A OG1 GLU 127.A O no hydrogen 3.537 N/A THR 139.A OG1 GLY 140.A O no hydrogen 3.206 N/A GLY 140.A N GLU 127.A O no hydrogen 3.289 N/A ASN 141.A ND2 GLN 107.A O no hydrogen 3.049 N/A ASN 141.A ND2 SER 247.A OG no hydrogen 2.951 N/A ARG 144.A NH2 GLU 248.A OE2 no hydrogen 3.063 N/A LEU 147.A N ARG 144.A O no hydrogen 2.891 N/A PHE 148.A N GLY 145.A O no hydrogen 3.451 N/A LEU 149.A N ALA 251.A O no hydrogen 2.936 N/A HIS 152.A N ASP 150.A OD1 no hydrogen 3.173 N/A ALA 153.A N ASP 150.A O no hydrogen 3.200 N/A ARG 160.A N LEU 157.A O no hydrogen 3.012 N/A ARG 160.A NE PRO 156.A O no hydrogen 2.909 N/A ARG 160.A NH1 ASP 235.A OD1 no hydrogen 3.307 N/A ARG 160.A NH1 ASP 235.A OD2 no hydrogen 2.759 N/A ARG 160.A NH2 ALA 155.A O no hydrogen 2.865 N/A ARG 160.A NH2 ASP 235.A OD1 no hydrogen 2.757 N/A ARG 161.A NE ARG 192.A O no hydrogen 2.735 N/A ARG 161.A NH2 LEU 189.A O no hydrogen 2.514 N/A ARG 161.A NH2 ARG 192.A O no hydrogen 2.843 N/A ASN 163.A N ASP 235.A OD2 no hydrogen 2.792 N/A ASN 163.A ND2 TRP 233.A O no hydrogen 2.636 N/A LEU 164.A N ALA 194.A O no hydrogen 2.610 N/A LEU 165.A N LEU 236.A O no hydrogen 3.079 N/A VAL 166.A N ARG 196.A O no hydrogen 2.918 N/A LEU 167.A N ILE 238.A O no hydrogen 3.136 N/A GLY 168.A N GLN 198.A OE1 no hydrogen 2.807 N/A ALA 173.A N GLY 168.A O no hydrogen 2.754 N/A ASN 177.A N GLU 174.A O no hydrogen 2.375 N/A ASN 177.A ND2 GLU 174.A OE1 no hydrogen 2.802 N/A LYS 178.A N PRO 175.A O no hydrogen 2.277 N/A LEU 179.A N PRO 175.A O no hydrogen 3.042 N/A LEU 180.A N LEU 176.A O no hydrogen 3.048 N/A ALA 183.A N LEU 179.A O no hydrogen 2.958 N/A LEU 184.A N LEU 180.A O no hydrogen 2.812 N/A ALA 185.A N PRO 181.A O no hydrogen 3.150 N/A GLN 186.A N ALA 183.A O no hydrogen 3.234 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.906 N/A ILE 191.A N PRO 188.A O no hydrogen 2.925 N/A ARG 192.A N PRO 188.A O no hydrogen 2.826 N/A ARG 192.A NH1 GLU 217.A O no hydrogen 3.483 N/A ALA 194.A N VAL 162.A O no hydrogen 2.900 N/A ARG 196.A N LEU 164.A O no hydrogen 3.040 N/A HIS 197.A N ASP 219.A O no hydrogen 3.325 N/A GLN 198.A N VAL 166.A O no hydrogen 2.677 N/A GLN 198.A NE2 GLY 169.A O no hydrogen 2.832 N/A GLN 198.A NE2 PRO 222.A O no hydrogen 3.002 N/A ALA 199.A N ALA 221.A O no hydrogen 2.982 N/A HIS 203.A N GLY 200.A O no hydrogen 3.208 N/A THR 207.A N HIS 203.A O no hydrogen 3.067 N/A THR 207.A OG1 HIS 203.A O no hydrogen 2.548 N/A ALA 208.A N ALA 204.A O no hydrogen 3.413 N/A ARG 210.A N ILE 206.A O no hydrogen 3.034 N/A ARG 210.A NH2 GLU 174.A OE2 no hydrogen 3.516 N/A TYR 211.A N THR 207.A O no hydrogen 3.272 N/A ARG 212.A N ALA 208.A O no hydrogen 3.018 N/A ARG 212.A NE GLU 209.A OE2 no hydrogen 2.784 N/A ARG 212.A NH2 GLU 209.A OE2 no hydrogen 3.354 N/A THR 213.A N GLU 209.A O no hydrogen 2.883 N/A THR 213.A OG1 GLU 209.A O no hydrogen 2.865 N/A THR 213.A OG1 ARG 210.A O no hydrogen 3.240 N/A VAL 216.A N TYR 211.A O no hydrogen 2.930 N/A ASP 219.A N ILE 195.A O no hydrogen 2.975 N/A ALA 221.A N HIS 197.A O no hydrogen 2.809 N/A ALA 230.A N ASP 226.A O no hydrogen 3.081 N/A TYR 231.A N MET 227.A O no hydrogen 2.937 N/A TYR 231.A OH GLU 248.A OE1 no hydrogen 2.649 N/A ALA 232.A N ALA 228.A O no hydrogen 3.093 N/A TRP 233.A N ALA 229.A O no hydrogen 3.087 N/A ALA 234.A N ALA 230.A O no hydrogen 3.283 N/A ASP 235.A N ASN 163.A O no hydrogen 3.080 N/A LEU 236.A N ASN 163.A O no hydrogen 3.248 N/A VAL 237.A N PRO 255.A O no hydrogen 3.011 N/A ILE 238.A N LEU 165.A O no hydrogen 3.146 N/A CYS 239.A N PHE 257.A O no hydrogen 3.099 N/A CYS 239.A SG ARG 240.A O no hydrogen 3.604 N/A ARG 240.A NH1 VAL 259.A O no hydrogen 2.807 N/A ARG 240.A NH1 GLN 282.A OE1 no hydrogen 3.001 N/A ARG 240.A NH2 GLN 282.A OE1 no hydrogen 2.689 N/A THR 245.A OG1 ARG 240.A O no hydrogen 3.236 N/A THR 245.A OG1 GLY 242.A O no hydrogen 2.626 N/A VAL 246.A N GLY 242.A O no hydrogen 3.231 N/A SER 247.A N ALA 243.A O no hydrogen 3.249 N/A SER 247.A OG ALA 243.A O no hydrogen 3.088 N/A GLU 248.A N LEU 244.A O no hydrogen 2.766 N/A LEU 249.A N THR 245.A O no hydrogen 3.046 N/A THR 250.A OG1 SER 247.A O no hydrogen 2.685 N/A ALA 251.A N SER 247.A O no hydrogen 3.390 N/A ALA 252.A N GLU 248.A O no hydrogen 2.773 N/A GLY 253.A N THR 250.A O no hydrogen 2.907 N/A LEU 254.A N LEU 249.A O no hydrogen 2.681 N/A PHE 257.A N VAL 237.A O no hydrogen 2.817 N/A LEU 258.A N ARG 278.A O no hydrogen 2.823 N/A VAL 259.A N CYS 239.A O no hydrogen 2.783 N/A THR 265.A OG1 ASP 262.A O no hydrogen 2.655 N/A ARG 266.A N ASP 262.A O no hydrogen 3.314 N/A ASN 267.A N HIS 263.A O no hydrogen 3.045 N/A ASN 267.A ND2 ALA 241.A O no hydrogen 3.140 N/A ALA 268.A N GLN 264.A O no hydrogen 2.925 N/A GLU 269.A N THR 265.A O no hydrogen 3.132 N/A LEU 271.A N ALA 268.A O no hydrogen 3.124 N/A VAL 272.A N ALA 268.A O no hydrogen 3.107 N/A ARG 273.A N GLU 269.A O no hydrogen 2.770 N/A ARG 273.A NH2 GLU 269.A OE1 no hydrogen 3.402 N/A GLY 275.A N VAL 272.A O no hydrogen 2.991 N/A ALA 276.A N LEU 271.A O no hydrogen 2.957 N/A ARG 278.A N ALA 256.A O no hydrogen 2.923 N/A ARG 278.A NH1 GLN 293.A OE1 no hydrogen 3.533 N/A LEU 280.A N LEU 258.A O no hydrogen 2.880 N/A THR 285.A N PRO 281.A O no hydrogen 3.158 N/A THR 285.A OG1 PRO 281.A O no hydrogen 3.213 N/A LEU 290.A N GLY 286.A O no hydrogen 3.126 N/A ALA 291.A N ALA 287.A O no hydrogen 3.264 N/A ALA 292.A N ALA 288.A O no hydrogen 3.302 N/A GLN 293.A N GLU 289.A O no hydrogen 3.144 N/A LEU 294.A N LEU 290.A O no hydrogen 2.828 N/A SER 295.A N ALA 291.A O no hydrogen 2.750 N/A SER 295.A OG ALA 291.A O no hydrogen 2.706 N/A GLU 296.A N ALA 292.A O no hydrogen 3.292 N/A VAL 297.A N LEU 294.A O no hydrogen 3.005 N/A LEU 298.A N LEU 294.A O no hydrogen 2.977 N/A MET 299.A N SER 295.A O no hydrogen 2.887 N/A HIS 300.A N GLU 296.A O no hydrogen 3.113 N/A HIS 300.A ND1 GLU 296.A O no hydrogen 3.138 N/A THR 303.A N HIS 300.A O no hydrogen 3.302 N/A THR 303.A OG1 HIS 300.A O no hydrogen 3.130 N/A LEU 304.A N PRO 301.A O no hydrogen 2.857 N/A SER 306.A N GLU 302.A O no hydrogen 3.393 N/A SER 306.A OG GLU 302.A O no hydrogen 3.510 N/A SER 306.A OG THR 303.A O no hydrogen 2.733 N/A MET 307.A N THR 303.A O no hydrogen 3.165 N/A ALA 308.A N LEU 304.A O no hydrogen 2.906 N/A ASP 309.A N ARG 305.A O no hydrogen 2.996 N/A GLN 310.A N SER 306.A O no hydrogen 3.236 N/A ALA 311.A N MET 307.A O no hydrogen 3.098 N/A ARG 312.A N ALA 308.A O no hydrogen 3.032 N/A SER 313.A OG GLN 310.A O no hydrogen 2.639 N/A LEU 314.A N ALA 311.A O no hydrogen 2.956 N/A ALA 315.A N ARG 312.A O no hydrogen 3.413 N/A LYS 316.A NZ THR 138.A O no hydrogen 3.403 N/A ALA 319.A N LYS 316.A O no hydrogen 3.288 N/A THR 322.A N GLU 318.A O no hydrogen 3.152 N/A THR 322.A OG1 GLU 318.A O no hydrogen 2.975 N/A VAL 324.A N THR 320.A O no hydrogen 3.199 N/A ASP 325.A N ARG 321.A O no hydrogen 2.757 N/A ALA 326.A N THR 322.A O no hydrogen 3.088 N/A CYS 327.A N VAL 323.A O no hydrogen 3.096 N/A CYS 327.A SG VAL 323.A O no hydrogen 3.266 N/A LEU 328.A N VAL 324.A O no hydrogen 2.946 N/A GLU 329.A N ASP 325.A O no hydrogen 3.067 N/A ALA 331.A N CYS 327.A O no hydrogen 3.089 N/A