Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q2h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 46.A O no hydrogen 2.950 N/A ARG 3.A NH1 SER 1.A O no hydrogen 3.177 N/A TYR 4.A N LEU 204.A O no hydrogen 2.707 N/A VAL 5.A N SER 48.A O no hydrogen 2.756 N/A GLU 6.A N TYR 4.A O no hydrogen 3.150 N/A GLU 6.A N ASP 96.A OD2 no hydrogen 3.247 N/A THR 7.A N VAL 50.A O no hydrogen 2.828 N/A THR 7.A OG1 VAL 5.A O no hydrogen 2.809 N/A THR 7.A OG1 VAL 50.A O no hydrogen 3.339 N/A MET 8.A N THR 97.A O no hydrogen 2.901 N/A LEU 9.A N LYS 53.A O no hydrogen 2.891 N/A VAL 10.A N ILE 99.A O no hydrogen 2.847 N/A ALA 11.A N LEU 55.A O no hydrogen 3.097 N/A ASP 12.A N PHE 101.A O no hydrogen 3.264 N/A SER 14.A OG ASP 12.A OD1 no hydrogen 2.517 N/A SER 14.A OG ASP 12.A OD2 no hydrogen 3.194 N/A SER 14.A OG THR 102.A OG1 no hydrogen 3.288 N/A MET 15.A N ASP 12.A OD1 no hydrogen 3.019 N/A ALA 16.A N ASP 12.A O no hydrogen 3.030 N/A GLU 17.A N GLN 13.A O no hydrogen 2.949 N/A PHE 18.A N SER 14.A O no hydrogen 3.007 N/A HIS 19.A N MET 15.A O no hydrogen 2.801 N/A HIS 19.A NE2 ASP 135.A OD1 no hydrogen 2.922 N/A GLY 20.A N ALA 16.A O no hydrogen 2.779 N/A LEU 23.A N GLY 20.A O no hydrogen 3.266 N/A HIS 25.A NE2 SER 222.A OG no hydrogen 2.895 N/A TYR 26.A N GLY 22.A O no hydrogen 3.245 N/A TYR 26.A OH ASP 135.A OD2 no hydrogen 2.595 N/A LEU 27.A N LEU 23.A O no hydrogen 3.138 N/A LEU 28.A N LYS 24.A O no hydrogen 3.095 N/A THR 29.A N HIS 25.A O no hydrogen 2.790 N/A THR 29.A OG1 HIS 25.A O no hydrogen 2.586 N/A LEU 30.A N TYR 26.A O no hydrogen 2.960 N/A PHE 31.A N LEU 27.A O no hydrogen 2.843 N/A SER 32.A N LEU 28.A O no hydrogen 2.869 N/A SER 32.A OG THR 29.A O no hydrogen 3.115 N/A VAL 33.A N THR 29.A O no hydrogen 3.376 N/A ALA 34.A N LEU 30.A O no hydrogen 3.212 N/A ALA 35.A N PHE 31.A O no hydrogen 2.698 N/A ARG 36.A N SER 32.A O no hydrogen 3.021 N/A ARG 36.A NH2 ASP 217.A O no hydrogen 3.089 N/A LEU 37.A N VAL 33.A O no hydrogen 3.078 N/A TYR 38.A N ALA 34.A O no hydrogen 3.228 N/A TYR 38.A OH ALA 145.A O no hydrogen 2.754 N/A LYS 39.A N ARG 36.A O no hydrogen 2.914 N/A HIS 40.A N LEU 37.A O no hydrogen 3.223 N/A HIS 40.A ND1 SER 42.A OG no hydrogen 2.542 N/A SER 42.A N HIS 40.A ND1 no hydrogen 3.110 N/A SER 42.A OG HIS 40.A ND1 no hydrogen 2.542 N/A ILE 43.A N HIS 40.A O no hydrogen 3.110 N/A ARG 44.A N PRO 41.A O no hydrogen 2.967 N/A ARG 44.A NE PRO 41.A O no hydrogen 2.931 N/A ASN 45.A ND2 ILE 43.A O no hydrogen 3.008 N/A ASN 45.A ND2 THR 193.A OG1 no hydrogen 2.924 N/A SER 48.A N ARG 3.A O no hydrogen 2.743 N/A VAL 50.A N VAL 5.A O no hydrogen 3.158 N/A VAL 52.A N THR 7.A O no hydrogen 2.909 N/A LYS 53.A N THR 7.A O no hydrogen 3.409 N/A LYS 53.A NZ HIS 84.A O no hydrogen 3.127 N/A LEU 55.A N LEU 9.A O no hydrogen 3.018 N/A ILE 57.A N ALA 11.A O no hydrogen 2.938 N/A LYS 62.A N ASP 59.A O no hydrogen 2.710 N/A GLY 63.A N GLU 60.A O no hydrogen 2.858 N/A THR 67.A N THR 73.A OG1 no hydrogen 3.128 N/A SER 68.A OG ASP 105.A O no hydrogen 3.193 N/A ALA 70.A N CYS 107.A O no hydrogen 3.287 N/A THR 73.A N ASN 69.A O no hydrogen 3.098 N/A THR 73.A OG1 THR 67.A O no hydrogen 2.496 N/A THR 73.A OG1 ASN 69.A O no hydrogen 3.032 N/A LEU 74.A N ALA 70.A O no hydrogen 2.872 N/A ARG 75.A N ALA 71.A O no hydrogen 3.251 N/A ASN 76.A N LEU 72.A O no hydrogen 2.853 N/A ASN 76.A ND2 GLU 65.A O no hydrogen 2.607 N/A PHE 77.A N THR 73.A O no hydrogen 2.836 N/A CYS 78.A N LEU 74.A O no hydrogen 2.784 N/A CYS 78.A SG LEU 74.A O no hydrogen 3.083 N/A ASN 79.A N ARG 75.A O no hydrogen 3.130 N/A TRP 80.A N ASN 76.A O no hydrogen 3.002 N/A TRP 80.A NE1 LYS 62.A O no hydrogen 3.168 N/A GLN 81.A N PHE 77.A O no hydrogen 2.843 N/A GLN 81.A NE2 CYS 78.A O no hydrogen 2.909 N/A GLN 81.A NE2 PRO 126.A O no hydrogen 2.906 N/A HIS 84.A N GLN 81.A O no hydrogen 3.109 N/A ASN 85.A N LYS 82.A O no hydrogen 3.032 N/A ASN 85.A ND2 TYR 95.A O no hydrogen 2.962 N/A ARG 90.A N SER 88.A OG no hydrogen 2.910 N/A ASP 91.A N SER 88.A O no hydrogen 3.068 N/A HIS 94.A N ASP 91.A O no hydrogen 3.409 N/A HIS 94.A ND1 PRO 86.A O no hydrogen 2.437 N/A TYR 95.A N ASN 85.A OD1 no hydrogen 2.935 N/A TYR 95.A OH GLN 81.A O no hydrogen 2.530 N/A ASP 96.A N GLU 6.A O no hydrogen 2.715 N/A THR 97.A N GLU 6.A O no hydrogen 3.030 N/A THR 97.A OG1 SER 129.A O no hydrogen 3.263 N/A THR 97.A OG1 SER 129.A OG no hydrogen 2.906 N/A ALA 98.A N SER 129.A O no hydrogen 3.251 N/A ILE 99.A N MET 8.A O no hydrogen 2.914 N/A LEU 100.A N SER 131.A O no hydrogen 2.912 N/A PHE 101.A N VAL 10.A O no hydrogen 2.980 N/A THR 102.A N ILE 133.A O no hydrogen 2.963 N/A THR 102.A OG1 ASP 12.A OD2 no hydrogen 2.406 N/A THR 102.A OG1 SER 14.A OG no hydrogen 3.288 N/A ARG 103.A N SER 14.A OG no hydrogen 2.763 N/A ARG 103.A NH1 PHE 231.A O no hydrogen 3.090 N/A ARG 103.A NH2 ASP 135.A OD1 no hydrogen 2.993 N/A ARG 103.A NH2 PHE 231.A O no hydrogen 2.852 N/A GLN 104.A N THR 102.A OG1 no hydrogen 3.135 N/A LEU 106.A N GLU 134.A OE2 no hydrogen 2.978 N/A CYS 107.A N SER 68.A O no hydrogen 2.756 N/A CYS 107.A SG SER 68.A O no hydrogen 3.839 N/A CYS 107.A SG SER 68.A OG no hydrogen 2.840 N/A CYS 107.A SG ASP 105.A O no hydrogen 3.829 N/A GLY 108.A N THR 111.A O no hydrogen 2.855 N/A GLN 110.A NE2 THR 111.A OG1 no hydrogen 3.149 N/A MET 117.A N VAL 132.A O no hydrogen 2.960 N/A GLY 121.A N HIS 150.A O no hydrogen 3.192 N/A THR 122.A N VAL 151.A O no hydrogen 3.000 N/A THR 122.A OG1 ARG 128.A O no hydrogen 3.273 N/A CYS 124.A SG HIS 200.A O no hydrogen 3.718 N/A ASP 125.A N THR 122.A O no hydrogen 2.868 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.286 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.956 N/A ARG 128.A N ASP 125.A O no hydrogen 2.963 N/A SER 129.A OG ASP 96.A O no hydrogen 2.844 N/A SER 129.A OG THR 97.A OG1 no hydrogen 2.906 N/A SER 129.A OG VAL 123.A O no hydrogen 3.069 N/A CYS 130.A N ARG 128.A O no hydrogen 3.089 N/A SER 131.A N ALA 98.A O no hydrogen 3.189 N/A VAL 132.A N MET 117.A O no hydrogen 3.121 N/A ILE 133.A N LEU 100.A O no hydrogen 2.577 N/A GLU 134.A N LEU 115.A O no hydrogen 2.985 N/A ASP 135.A N THR 102.A O no hydrogen 2.684 N/A GLY 137.A N ASP 135.A OD2 no hydrogen 3.006 N/A GLN 139.A N GLN 139.A OE1 no hydrogen 2.822 N/A ALA 140.A N GLY 137.A O no hydrogen 3.004 N/A ALA 141.A N LEU 138.A O no hydrogen 3.027 N/A PHE 142.A N GLN 139.A O no hydrogen 2.950 N/A THR 143.A N GLN 139.A O no hydrogen 3.399 N/A THR 144.A N ALA 140.A O no hydrogen 2.850 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.617 N/A ALA 145.A N ALA 141.A O no hydrogen 3.251 N/A HIS 146.A N PHE 142.A O no hydrogen 2.966 N/A HIS 146.A ND1 MET 170.A O no hydrogen 2.793 N/A HIS 146.A NE2 HIS 156.A NE2 no hydrogen 3.162 N/A GLU 147.A N THR 143.A O no hydrogen 2.985 N/A LEU 148.A N THR 144.A O no hydrogen 2.910 N/A GLY 149.A N ALA 145.A O no hydrogen 2.824 N/A HIS 150.A N HIS 146.A O no hydrogen 2.934 N/A HIS 150.A ND1 MET 154.A O no hydrogen 2.887 N/A HIS 150.A NE2 HIS 156.A NE2 no hydrogen 3.152 N/A VAL 151.A N GLU 147.A O no hydrogen 3.067 N/A PHE 152.A N LEU 148.A O no hydrogen 3.037 N/A PHE 152.A N GLY 149.A O no hydrogen 3.130 N/A ASN 153.A N HIS 150.A O no hydrogen 2.692 N/A MET 154.A N GLY 149.A O no hydrogen 3.010 N/A HIS 156.A NE2 HIS 146.A NE2 no hydrogen 3.162 N/A ASP 157.A N MET 171.A O no hydrogen 2.869 N/A ALA 159.A N HIS 156.A O no hydrogen 2.925 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 2.991 N/A CYS 162.A N ALA 159.A O no hydrogen 2.807 N/A CYS 162.A SG HIS 156.A O no hydrogen 3.708 N/A ALA 163.A N LYS 160.A O no hydrogen 3.078 N/A LEU 165.A N CYS 162.A O no hydrogen 3.160 N/A ASN 166.A N CYS 162.A O no hydrogen 3.162 N/A ASN 166.A ND2 ASP 157.A O no hydrogen 3.359 N/A ASN 166.A ND2 ASP 157.A OD1 no hydrogen 3.193 N/A HIS 169.A ND1 GLN 182.A O no hydrogen 2.606 N/A MET 170.A N PRO 183.A O no hydrogen 2.676 N/A ALA 172.A N HIS 169.A O no hydrogen 3.287 N/A SER 173.A OG ASP 158.A OD1 no hydrogen 2.502 N/A SER 176.A OG ASP 167.A O no hydrogen 2.746 N/A SER 176.A OG MET 174.A O no hydrogen 3.033 N/A ASP 179.A N SER 168.A O no hydrogen 2.811 N/A SER 181.A N ASP 179.A OD1 no hydrogen 2.857 N/A SER 181.A OG ASP 179.A OD1 no hydrogen 2.726 N/A GLN 182.A N ASP 179.A OD1 no hydrogen 3.080 N/A GLN 182.A NE2 SER 181.A O no hydrogen 2.811 N/A TRP 184.A N SER 42.A OG no hydrogen 3.417 N/A TRP 184.A NE1 LEU 37.A O no hydrogen 2.909 N/A SER 185.A OG ASP 157.A OD1 no hydrogen 2.465 N/A SER 185.A OG ASP 157.A OD2 no hydrogen 3.035 N/A SER 185.A OG SER 188.A OG no hydrogen 3.096 N/A CYS 187.A N ASN 166.A OD1 no hydrogen 3.153 N/A SER 188.A N SER 185.A OG no hydrogen 3.060 N/A SER 188.A OG SER 185.A OG no hydrogen 3.096 N/A ALA 189.A N SER 185.A O no hydrogen 3.005 N/A TYR 190.A N PRO 186.A O no hydrogen 2.892 N/A MET 191.A N CYS 187.A O no hydrogen 2.835 N/A ILE 192.A N SER 188.A O no hydrogen 3.040 N/A THR 193.A N ALA 189.A O no hydrogen 3.312 N/A THR 193.A OG1 ALA 189.A O no hydrogen 2.551 N/A SER 194.A N TYR 190.A O no hydrogen 2.875 N/A SER 194.A OG TYR 190.A O no hydrogen 3.018 N/A PHE 195.A N MET 191.A O no hydrogen 3.344 N/A LEU 196.A N ILE 192.A O no hydrogen 3.142 N/A ASP 197.A N THR 193.A O no hydrogen 2.851 N/A ASN 198.A N SER 194.A O no hydrogen 2.783 N/A GLY 199.A N LEU 196.A O no hydrogen 2.977 N/A HIS 200.A N PHE 195.A O no hydrogen 3.134 N/A CYS 203.A SG VAL 123.A O no hydrogen 3.924 N/A LEU 204.A N GLY 201.A O no hydrogen 2.579 N/A ILE 212.A N VAL 51.A O no hydrogen 2.881 N/A GLY 220.A N ASP 263.A O no hydrogen 2.713 N/A THR 221.A N LEU 218.A O no hydrogen 2.827 N/A SER 222.A OG HIS 25.A NE2 no hydrogen 2.895 N/A TYR 223.A N PRO 219.A O no hydrogen 3.226 N/A ARG 227.A N ASP 224.A OD2 no hydrogen 3.176 N/A ARG 227.A NH1 GLN 230.A OE1 no hydrogen 3.306 N/A GLN 228.A N ASP 224.A O no hydrogen 2.907 N/A GLN 228.A NE2 TYR 223.A O no hydrogen 3.238 N/A GLN 228.A NE2 THR 265.A OG1 no hydrogen 2.460 N/A CYS 229.A N ALA 225.A O no hydrogen 3.026 N/A CYS 229.A SG ALA 225.A O no hydrogen 3.587 N/A CYS 229.A SG LYS 238.A O no hydrogen 3.531 N/A CYS 229.A SG TRP 247.A O no hydrogen 3.483 N/A GLN 230.A N ASN 226.A O no hydrogen 3.016 N/A GLN 230.A NE2 GLU 235.A O no hydrogen 2.668 N/A PHE 231.A N ARG 227.A O no hydrogen 2.918 N/A THR 232.A N GLN 228.A O no hydrogen 3.281 N/A THR 232.A N CYS 229.A O no hydrogen 3.249 N/A THR 232.A OG1 ASP 136.A O no hydrogen 3.066 N/A THR 232.A OG1 GLN 228.A O no hydrogen 3.503 N/A PHE 233.A N CYS 229.A O no hydrogen 2.768 N/A GLY 234.A N GLN 230.A O no hydrogen 2.932 N/A SER 237.A N GLY 234.A O no hydrogen 2.992 N/A SER 237.A OG THR 249.A O no hydrogen 3.136 N/A LYS 238.A N THR 249.A OG1 no hydrogen 2.958 N/A LYS 238.A NZ PRO 241.A O no hydrogen 3.366 N/A HIS 239.A N ASN 226.A OD1 no hydrogen 2.886 N/A CYS 240.A N TRP 247.A O no hydrogen 2.986 N/A SER 244.A N THR 242.A O no hydrogen 2.746 N/A LEU 246.A N PHE 259.A O no hydrogen 2.856 N/A CYS 248.A N GLN 255.A O no hydrogen 2.816 N/A THR 249.A N LYS 238.A O no hydrogen 2.950 N/A GLY 250.A N VAL 253.A O no hydrogen 2.861 N/A GLN 255.A N CYS 248.A O no hydrogen 2.615 N/A GLN 255.A NE2 THR 249.A O no hydrogen 3.113 N/A THR 256.A OG1 LEU 246.A O no hydrogen 3.109 N/A HIS 258.A N THR 256.A OG1 no hydrogen 2.740 N/A TRP 261.A N CYS 243.A O no hydrogen 2.836 N/A TRP 261.A NE1 THR 245.A O no hydrogen 3.212 N/A ALA 262.A N GLN 228.A OE1 no hydrogen 2.769 N/A GLY 264.A N CYS 273.A O no hydrogen 2.691 N/A THR 265.A N ALA 262.A O no hydrogen 3.068 N/A THR 265.A OG1 ALA 262.A O no hydrogen 2.374 N/A CYS 267.A N LYS 271.A O no hydrogen 3.346 N/A LYS 271.A N GLY 268.A O no hydrogen 3.131 N/A LYS 271.A NZ ASN 280.A OD1 no hydrogen 3.369 N/A TRP 272.A N VAL 279.A O no hydrogen 2.803 N/A CYS 273.A N THR 265.A O no hydrogen 2.923 N/A CYS 273.A SG THR 265.A O no hydrogen 3.733 N/A ILE 274.A N LYS 277.A O no hydrogen 2.581 N/A ASN 275.A N ASP 263.A OD1 no hydrogen 2.729 N/A LYS 277.A N ILE 274.A O no hydrogen 2.987 N/A CYS 278.A SG CYS 267.A O no hydrogen 3.504 N/A VAL 279.A N TRP 272.A O no hydrogen 2.903 N/A LYS 281.A N GLY 270.A O no hydrogen 2.926 N/A