Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qa2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N THR 130.A O no hydrogen 3.485 N/A GLY 2.A N THR 130.A O no hydrogen 2.661 N/A GLN 4.A N GLN 131.A O no hydrogen 2.982 N/A ILE 5.A N PRO 55.A O no hydrogen 3.129 N/A LEU 6.A N TRP 134.A O no hydrogen 2.872 N/A CYS 7.A N ALA 57.A O no hydrogen 2.966 N/A VAL 8.A N HIS 136.A O no hydrogen 2.831 N/A GLY 9.A N MET 59.A O no hydrogen 3.243 N/A LEU 10.A N GLU 138.A OE1 no hydrogen 2.897 N/A VAL 12.A N GLY 39.A O no hydrogen 2.872 N/A LEU 13.A N PRO 94.A O no hydrogen 3.256 N/A ASP 14.A N GLN 37.A O no hydrogen 2.767 N/A VAL 15.A N SER 96.A O no hydrogen 2.889 N/A ILE 16.A N ARG 35.A O no hydrogen 2.811 N/A SER 17.A N CYS 98.A O no hydrogen 2.789 N/A LEU 18.A N SER 33.A O no hydrogen 2.922 N/A VAL 19.A N ILE 100.A O no hydrogen 3.078 N/A SER 27.A N LYS 24.A O no hydrogen 2.842 N/A SER 27.A OG LYS 24.A O no hydrogen 2.390 N/A CYS 31.A SG SER 33.A O no hydrogen 3.537 N/A LEU 32.A N LEU 18.A O no hydrogen 2.671 N/A SER 33.A N LEU 18.A O no hydrogen 3.470 N/A ARG 35.A N ILE 16.A O no hydrogen 3.105 N/A ARG 35.A NH1 GLN 291.A OE1 no hydrogen 3.137 N/A ARG 35.A NH2 GLN 291.A OE1 no hydrogen 3.536 N/A GLN 37.A N ASP 14.A O no hydrogen 2.824 N/A ARG 38.A NE ASP 74.A OD2 no hydrogen 2.567 N/A ARG 38.A NH1 SER 43.A O no hydrogen 3.090 N/A ARG 38.A NH1 SER 43.A OG no hydrogen 2.422 N/A ARG 38.A NH2 THR 47.A OG1 no hydrogen 2.764 N/A GLY 39.A N VAL 12.A O no hydrogen 2.722 N/A ASN 41.A ND2 GLU 172.A OE1 no hydrogen 3.101 N/A ALA 42.A N GLU 138.A OE1 no hydrogen 2.990 N/A SER 43.A N LEU 10.A O no hydrogen 3.343 N/A SER 43.A OG GLY 39.A O no hydrogen 3.138 N/A ASN 44.A N GLY 40.A O no hydrogen 2.968 N/A ASN 44.A ND2 ASP 257.A OD2 no hydrogen 2.743 N/A SER 45.A N ASN 41.A O no hydrogen 3.125 N/A SER 45.A OG ASN 41.A O no hydrogen 3.441 N/A SER 45.A OG ASP 257.A O no hydrogen 3.368 N/A CYS 46.A N ALA 42.A O no hydrogen 3.148 N/A CYS 46.A SG ALA 42.A O no hydrogen 3.554 N/A CYS 46.A SG ALA 57.A O no hydrogen 3.703 N/A THR 47.A N SER 43.A O no hydrogen 3.078 N/A THR 47.A OG1 SER 43.A O no hydrogen 3.189 N/A VAL 48.A N ASN 44.A O no hydrogen 3.060 N/A LEU 49.A N SER 45.A O no hydrogen 2.679 N/A SER 50.A N CYS 46.A O no hydrogen 2.857 N/A SER 50.A OG ARG 78.A O no hydrogen 2.967 N/A LEU 51.A N THR 47.A O no hydrogen 3.041 N/A LEU 52.A N VAL 48.A O no hydrogen 3.022 N/A LEU 52.A N LEU 49.A O no hydrogen 3.110 N/A GLY 53.A N SER 50.A O no hydrogen 2.939 N/A ALA 54.A N LEU 49.A O no hydrogen 3.029 N/A CYS 56.A SG CYS 46.A O no hydrogen 3.548 N/A CYS 56.A SG ALA 54.A O no hydrogen 3.899 N/A ALA 57.A N ILE 5.A O no hydrogen 2.838 N/A PHE 58.A N ASP 81.A O no hydrogen 3.009 N/A MET 59.A N CYS 7.A O no hydrogen 2.949 N/A SER 61.A OG PRO 117.A O no hydrogen 2.766 N/A ASP 69.A N GLY 65.A O no hydrogen 3.071 N/A PHE 70.A N HIS 66.A O no hydrogen 3.141 N/A LEU 71.A N VAL 67.A O no hydrogen 3.029 N/A VAL 72.A N ALA 68.A O no hydrogen 3.021 N/A ALA 73.A N ASP 69.A O no hydrogen 3.096 N/A ASP 74.A N PHE 70.A O no hydrogen 2.962 N/A PHE 75.A N LEU 71.A O no hydrogen 2.878 N/A ARG 76.A N VAL 72.A O no hydrogen 2.756 N/A ARG 77.A N ALA 73.A O no hydrogen 2.928 N/A ARG 78.A N ASP 74.A O no hydrogen 3.116 N/A ARG 78.A N PHE 75.A O no hydrogen 3.081 N/A ARG 78.A NH2 ASP 294.A OD1 no hydrogen 2.829 N/A GLY 79.A N ARG 76.A O no hydrogen 3.092 N/A VAL 80.A N PHE 75.A O no hydrogen 2.917 N/A ASP 81.A N CYS 56.A O no hydrogen 3.118 N/A SER 83.A N ASP 81.A OD1 no hydrogen 3.270 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.672 N/A SER 83.A OG ASP 81.A OD2 no hydrogen 3.322 N/A SER 83.A OG GLN 84.A OE1 no hydrogen 3.121 N/A VAL 85.A N VAL 82.A O no hydrogen 2.857 N/A ALA 86.A N GLY 60.A O no hydrogen 3.009 N/A TRP 87.A N VAL 85.A O no hydrogen 3.164 N/A GLN 88.A N MET 62.A O no hydrogen 3.045 N/A GLN 88.A NE2 ALA 86.A O no hydrogen 3.037 N/A SER 96.A N LEU 13.A O no hydrogen 2.979 N/A SER 96.A OG ASP 14.A OD1 no hydrogen 3.009 N/A CYS 97.A N VAL 110.A O no hydrogen 3.002 N/A CYS 98.A N VAL 15.A O no hydrogen 2.883 N/A CYS 98.A SG SER 96.A OG no hydrogen 3.650 N/A ILE 99.A N THR 108.A O no hydrogen 2.941 N/A ILE 100.A N SER 17.A O no hydrogen 2.848 N/A ASN 101.A N ASN 106.A O no hydrogen 2.686 N/A ASN 102.A N VAL 19.A O no hydrogen 2.804 N/A SER 103.A N ASN 101.A OD1 no hydrogen 2.946 N/A SER 103.A OG ASP 20.A O no hydrogen 3.442 N/A SER 103.A OG ASN 101.A OD1 no hydrogen 2.793 N/A ASN 104.A N ASN 101.A O no hydrogen 3.330 N/A ASN 104.A ND2 ASN 101.A O no hydrogen 3.108 N/A GLY 105.A N ASN 101.A O no hydrogen 2.598 N/A ARG 107.A NH1 ARG 107.A O no hydrogen 3.054 N/A THR 108.A N ILE 99.A O no hydrogen 2.895 N/A VAL 110.A N CYS 97.A O no hydrogen 2.861 N/A HIS 112.A N SER 95.A O no hydrogen 2.897 N/A THR 114.A OG1 ASP 92.A O no hydrogen 2.632 N/A SER 120.A N ASP 123.A OD2 no hydrogen 3.069 N/A SER 120.A OG ASP 123.A OD2 no hydrogen 2.965 N/A ALA 121.A N GLU 144.A OE2 no hydrogen 3.154 N/A THR 122.A OG1 SER 120.A OG no hydrogen 3.141 N/A PHE 124.A N SER 120.A O no hydrogen 2.849 N/A GLU 125.A N ALA 121.A O no hydrogen 2.651 N/A LYS 126.A N ASP 123.A O no hydrogen 3.311 N/A VAL 127.A N PHE 124.A O no hydrogen 2.832 N/A THR 130.A N ASP 128.A OD1 no hydrogen 2.981 N/A THR 130.A OG1 ASP 128.A OD1 no hydrogen 2.673 N/A THR 130.A OG1 ASP 128.A OD2 no hydrogen 3.544 N/A GLN 131.A N ASP 128.A O no hydrogen 3.279 N/A GLN 131.A NE2 ASP 128.A O no hydrogen 3.306 N/A PHE 132.A N LEU 129.A O no hydrogen 3.203 N/A LYS 133.A N GLN 4.A O no hydrogen 3.072 N/A LYS 133.A NZ SER 268.A O no hydrogen 3.302 N/A TRP 134.A NE1 SER 168.A OG no hydrogen 2.842 N/A ILE 135.A N ARG 166.A O no hydrogen 2.866 N/A HIS 136.A N LEU 6.A O no hydrogen 2.705 N/A HIS 136.A ND1 SER 168.A OG no hydrogen 2.672 N/A ILE 137.A N SER 168.A O no hydrogen 2.834 N/A GLU 138.A N VAL 8.A O no hydrogen 2.852 N/A GLY 139.A N GLU 170.A O no hydrogen 2.987 N/A ARG 140.A N GLN 145.A OE1 no hydrogen 2.931 N/A ARG 140.A NE ASP 118.A OD1 no hydrogen 2.796 N/A ARG 140.A NH1 ASP 113.A OD2 no hydrogen 3.304 N/A ARG 140.A NH2 ASP 113.A OD1 no hydrogen 3.213 N/A ARG 140.A NH2 ASP 113.A OD2 no hydrogen 3.268 N/A ASN 141.A ND2 VAL 119.A O no hydrogen 3.118 N/A ALA 142.A N GLU 177.A OE1 no hydrogen 3.382 N/A GLN 145.A N ASN 141.A O no hydrogen 3.010 N/A GLN 145.A NE2 GLU 138.A O no hydrogen 3.050 N/A VAL 146.A N ALA 142.A O no hydrogen 2.863 N/A MET 148.A N GLU 144.A O no hydrogen 3.365 N/A LEU 149.A N GLN 145.A O no hydrogen 2.878 N/A GLN 150.A N VAL 146.A O no hydrogen 3.027 N/A ARG 151.A N LYS 147.A O no hydrogen 3.171 N/A ARG 151.A NH1 VAL 127.A O no hydrogen 3.037 N/A ARG 151.A NH2 VAL 127.A O no hydrogen 2.971 N/A ILE 152.A N LEU 149.A O no hydrogen 2.819 N/A ASP 153.A N LEU 149.A O no hydrogen 2.918 N/A ALA 154.A N GLN 150.A O no hydrogen 2.852 N/A ASN 156.A N ILE 152.A O no hydrogen 2.830 N/A ASN 156.A N ASP 153.A O no hydrogen 2.982 N/A ASN 156.A ND2 ILE 165.A O no hydrogen 3.440 N/A THR 157.A N ASP 153.A O no hydrogen 3.074 N/A THR 157.A OG1 ASP 153.A O no hydrogen 3.389 N/A THR 157.A OG1 ALA 154.A O no hydrogen 2.679 N/A GLN 163.A N PRO 160.A O no hydrogen 2.650 N/A GLN 163.A NE2 GLU 162.A OE2 no hydrogen 2.987 N/A LYS 164.A NZ ASN 156.A O no hydrogen 2.998 N/A LYS 164.A NZ GLN 159.A O no hydrogen 2.918 N/A ILE 165.A N ASN 156.A OD1 no hydrogen 2.774 N/A ARG 166.A N LYS 133.A O no hydrogen 2.937 N/A VAL 167.A N ASP 186.A OD2 no hydrogen 2.907 N/A SER 168.A N ILE 135.A O no hydrogen 2.975 N/A SER 168.A OG HIS 136.A ND1 no hydrogen 2.672 N/A VAL 169.A N VAL 187.A O no hydrogen 3.018 N/A GLU 170.A N ILE 137.A O no hydrogen 3.018 N/A VAL 171.A N PHE 189.A O no hydrogen 2.776 N/A LEU 178.A N ARG 175.A O no hydrogen 3.321 N/A PHE 179.A N GLU 176.A O no hydrogen 3.216 N/A GLN 180.A NE2 GLU 177.A O no hydrogen 2.594 N/A LEU 181.A N LEU 178.A O no hydrogen 3.032 N/A TYR 184.A N LEU 181.A O no hydrogen 2.971 N/A ASP 186.A N VAL 167.A O no hydrogen 2.698 N/A VAL 187.A N VAL 167.A O no hydrogen 3.292 N/A VAL 188.A N VAL 219.A O no hydrogen 2.796 N/A PHE 189.A N VAL 169.A O no hydrogen 2.740 N/A VAL 190.A N VAL 221.A O no hydrogen 3.065 N/A SER 191.A N VAL 171.A O no hydrogen 3.414 N/A SER 191.A OG GLU 172.A O no hydrogen 3.033 N/A VAL 194.A N SER 191.A OG no hydrogen 3.090 N/A ALA 195.A N SER 191.A O no hydrogen 2.943 N/A LYS 196.A N LYS 192.A O no hydrogen 2.746 N/A HIS 197.A N ASP 193.A O no hydrogen 2.895 N/A GLY 199.A N LYS 196.A O no hydrogen 2.762 N/A PHE 200.A N ALA 195.A O no hydrogen 3.196 N/A GLU 205.A N SER 202.A OG no hydrogen 2.922 N/A ALA 206.A N SER 202.A O no hydrogen 3.209 N/A LEU 207.A N ALA 203.A O no hydrogen 3.188 N/A ARG 208.A N GLU 204.A O no hydrogen 3.095 N/A ARG 208.A NH1 GLY 236.A O no hydrogen 3.550 N/A GLY 209.A N GLU 205.A O no hydrogen 2.798 N/A LEU 210.A N ALA 206.A O no hydrogen 2.776 N/A TYR 211.A N LEU 207.A O no hydrogen 3.117 N/A TYR 211.A OH ALA 218.A O no hydrogen 2.681 N/A ARG 213.A N LEU 210.A O no hydrogen 3.033 N/A VAL 214.A N TYR 211.A O no hydrogen 3.380 N/A ARG 215.A NH1 ASP 186.A OD1 no hydrogen 3.397 N/A ALA 218.A N ARG 215.A O no hydrogen 3.148 N/A VAL 219.A N ASP 186.A O no hydrogen 2.704 N/A LEU 220.A N LEU 232.A O no hydrogen 3.036 N/A VAL 221.A N VAL 188.A O no hydrogen 2.820 N/A CYS 222.A N ASP 230.A O no hydrogen 2.978 N/A CYS 222.A SG VAL 190.A O no hydrogen 3.588 N/A CYS 222.A SG ALA 223.A O no hydrogen 3.605 N/A TRP 224.A N GLY 228.A O no hydrogen 2.812 N/A GLU 227.A N TRP 224.A O no hydrogen 2.923 N/A GLY 228.A N ALA 225.A O no hydrogen 3.051 N/A ALA 229.A N SER 241.A O no hydrogen 3.177 N/A ASP 230.A N CYS 222.A O no hydrogen 3.078 N/A ALA 231.A N LEU 239.A O no hydrogen 2.990 N/A LEU 232.A N LEU 220.A O no hydrogen 2.844 N/A GLY 236.A N GLY 233.A O no hydrogen 2.999 N/A LYS 237.A N ASP 235.A OD1 no hydrogen 2.671 N/A LEU 239.A N ALA 231.A O no hydrogen 2.929 N/A HIS 240.A ND1 ASP 230.A OD1 no hydrogen 2.597 N/A HIS 240.A NE2 ASP 242.A OD1 no hydrogen 2.909 N/A SER 241.A N ALA 229.A O no hydrogen 3.037 N/A SER 241.A OG ASP 242.A O no hydrogen 3.071 N/A VAL 250.A N CYS 288.A O no hydrogen 2.830 N/A ASP 251.A N CYS 288.A O no hydrogen 3.294 N/A THR 252.A N GLY 105.A O no hydrogen 2.985 N/A THR 252.A OG1 GLY 105.A O no hydrogen 2.721 N/A LEU 253.A N ASP 251.A OD1 no hydrogen 2.858 N/A ALA 255.A N THR 252.A O no hydrogen 3.179 N/A THR 258.A N GLY 254.A O no hydrogen 3.179 N/A THR 258.A OG1 GLY 254.A O no hydrogen 2.754 N/A PHE 259.A N ALA 255.A O no hydrogen 2.908 N/A ASN 260.A N GLY 256.A O no hydrogen 3.027 N/A ASN 260.A ND2 GLU 170.A OE2 no hydrogen 3.055 N/A ALA 261.A N ASP 257.A O no hydrogen 2.918 N/A SER 262.A N THR 258.A O no hydrogen 2.949 N/A SER 262.A OG THR 258.A O no hydrogen 3.034 N/A VAL 263.A N PHE 259.A O no hydrogen 2.866 N/A ILE 264.A N ASN 260.A O no hydrogen 2.951 N/A PHE 265.A N ALA 261.A O no hydrogen 2.805 N/A SER 266.A N SER 262.A O no hydrogen 3.108 N/A LEU 267.A N VAL 263.A O no hydrogen 2.966 N/A SER 268.A N ILE 264.A O no hydrogen 2.777 N/A SER 268.A OG PHE 265.A O no hydrogen 3.165 N/A GLN 269.A N SER 266.A O no hydrogen 3.020 N/A GLY 270.A N LEU 267.A O no hydrogen 3.176 N/A ARG 271.A N SER 266.A O no hydrogen 3.269 N/A SER 272.A N GLU 275.A OE2 no hydrogen 3.058 N/A GLN 274.A NE2 HIS 240.A O no hydrogen 2.971 N/A GLN 274.A NE2 GLN 274.A O no hydrogen 3.092 N/A GLU 275.A N SER 272.A OG no hydrogen 3.070 N/A ALA 276.A N SER 272.A O no hydrogen 2.960 N/A LEU 277.A N VAL 273.A O no hydrogen 2.997 N/A ARG 278.A N GLN 274.A O no hydrogen 3.243 N/A ARG 278.A NH2 SER 241.A OG no hydrogen 2.845 N/A PHE 279.A N GLU 275.A O no hydrogen 2.986 N/A GLY 280.A N ALA 276.A O no hydrogen 2.914 N/A CYS 281.A N LEU 277.A O no hydrogen 2.876 N/A CYS 281.A SG SER 241.A OG no hydrogen 3.461 N/A CYS 281.A SG LEU 277.A O no hydrogen 3.672 N/A GLN 282.A N ARG 278.A O no hydrogen 2.874 N/A VAL 283.A N PHE 279.A O no hydrogen 2.950 N/A ALA 284.A N GLY 280.A O no hydrogen 3.047 N/A GLY 285.A N CYS 281.A O no hydrogen 2.888 N/A LYS 286.A N GLN 282.A O no hydrogen 3.185 N/A LYS 286.A NZ GLY 295.A O no hydrogen 3.350 N/A LYS 287.A N VAL 283.A O no hydrogen 2.894 N/A LYS 287.A NZ ASP 251.A O no hydrogen 3.088 N/A LYS 287.A NZ ASP 251.A OD2 no hydrogen 3.105 N/A LYS 287.A NZ LYS 287.A O no hydrogen 2.747 N/A LYS 287.A NZ GLY 292.A O no hydrogen 2.787 N/A CYS 288.A N ALA 284.A O no hydrogen 3.114 N/A CYS 288.A N GLY 285.A O no hydrogen 3.281 N/A CYS 288.A SG ALA 284.A O no hydrogen 3.400 N/A GLY 289.A N LYS 286.A O no hydrogen 3.217 N/A LEU 290.A N LYS 287.A O no hydrogen 3.029 N/A GLN 291.A NE2 VAL 250.A O no hydrogen 3.242 N/A GLY 292.A N ASP 251.A OD2 no hydrogen 2.991 N/A ILE 296.A N PHE 293.A O no hydrogen 3.403 N/A