Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2g1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 171.A O no hydrogen 2.871 N/A SER 1.A OG GLY 93.A O no hydrogen 3.130 N/A VAL 3.A N ILE 169.A O no hydrogen 3.003 N/A LEU 5.A N GLY 167.A O no hydrogen 2.682 N/A THR 6.A N TYR 14.A O no hydrogen 2.749 N/A TYR 8.A N GLN 12.A O no hydrogen 2.785 N/A THR 11.A N TYR 8.A O no hydrogen 2.974 N/A GLN 12.A N TYR 8.A O no hydrogen 3.135 N/A GLN 12.A NE2 LEU 114.A O no hydrogen 2.950 N/A TYR 13.A OH ASN 156.A O no hydrogen 2.753 N/A TYR 14.A N THR 6.A O no hydrogen 3.178 N/A GLY 15.A N VAL 28.A O no hydrogen 2.963 N/A ILE 17.A N PHE 26.A O no hydrogen 3.148 N/A GLY 18.A N THR 91.A O no hydrogen 2.990 N/A ILE 19.A N GLN 24.A O no hydrogen 2.961 N/A GLY 20.A N ILE 89.A O no hydrogen 2.953 N/A THR 21.A N SER 62.A OG no hydrogen 3.119 N/A THR 21.A OG1 SER 64.A OG no hydrogen 2.739 N/A GLN 24.A N ILE 19.A O no hydrogen 2.890 N/A PHE 26.A N ILE 17.A O no hydrogen 3.138 N/A LYS 27.A N ASP 118.A OD1 no hydrogen 2.823 N/A VAL 28.A N GLY 15.A O no hydrogen 2.924 N/A VAL 29.A N GLY 119.A O no hydrogen 3.145 N/A ASP 31.A N VAL 121.A O no hydrogen 3.001 N/A THR 32.A N THR 220.A OG1 no hydrogen 2.772 N/A THR 32.A OG1 VAL 218.A O no hydrogen 2.665 N/A THR 32.A OG1 THR 220.A OG1 no hydrogen 3.399 N/A GLY 33.A N ASP 31.A OD2 no hydrogen 2.551 N/A SER 34.A N ASP 31.A O no hydrogen 3.218 N/A SER 34.A OG ASP 31.A OD1 no hydrogen 2.569 N/A SER 35.A OG PHE 125.A O no hydrogen 2.664 N/A ASN 36.A ND2 ILE 130.A O no hydrogen 2.952 N/A TRP 38.A N VAL 120.A O no hydrogen 2.960 N/A TRP 38.A NE1 TYR 76.A OH no hydrogen 2.770 N/A VAL 39.A N GLY 102.A O no hydrogen 3.211 N/A SER 41.A N VAL 104.A O no hydrogen 2.841 N/A SER 41.A OG GLU 103.A OE2 no hydrogen 2.871 N/A SER 42.A N PHE 57.A O no hydrogen 2.749 N/A SER 42.A OG PHE 57.A O no hydrogen 3.267 N/A LYS 43.A N SER 41.A OG no hydrogen 3.006 N/A CYS 44.A N SER 41.A O no hydrogen 2.739 N/A CYS 44.A SG SER 45.A O no hydrogen 3.601 N/A CYS 44.A SG THR 105.A O no hydrogen 3.549 N/A ARG 46.A NE CYS 44.A O no hydrogen 3.146 N/A ARG 46.A NH2 SER 42.A O no hydrogen 3.513 N/A LEU 47.A N SER 45.A OG no hydrogen 2.977 N/A TYR 48.A N SER 45.A O no hydrogen 2.928 N/A CYS 51.A N TYR 48.A O no hydrogen 2.785 N/A VAL 52.A N THR 49.A O no hydrogen 2.784 N/A TYR 53.A N THR 49.A O no hydrogen 3.156 N/A TYR 53.A N ALA 50.A O no hydrogen 3.255 N/A HIS 54.A ND1 ALA 50.A O no hydrogen 2.690 N/A HIS 54.A NE2 ALA 115.A O no hydrogen 2.914 N/A LYS 55.A N ASP 118.A OD2 no hydrogen 2.980 N/A LYS 55.A NZ THR 25.A O no hydrogen 2.781 N/A PHE 57.A N PRO 40.A O no hydrogen 2.826 N/A SER 60.A N ASP 58.A OD1 no hydrogen 3.019 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.669 N/A ASP 61.A N ASP 58.A O no hydrogen 3.274 N/A SER 62.A N ALA 59.A O no hydrogen 2.894 N/A SER 62.A OG ASP 88.A OD1 no hydrogen 2.629 N/A SER 62.A OG ASP 88.A OD2 no hydrogen 3.376 N/A SER 63.A N THR 21.A O no hydrogen 2.885 N/A SER 63.A OG THR 21.A O no hydrogen 3.520 N/A SER 64.A N SER 62.A OG no hydrogen 3.328 N/A SER 64.A OG THR 21.A OG1 no hydrogen 2.739 N/A SER 64.A OG SER 62.A OG no hydrogen 3.133 N/A SER 64.A OG ASP 88.A OD2 no hydrogen 2.618 N/A LYS 66.A N GLN 87.A O no hydrogen 2.740 N/A GLY 69.A N LEU 85.A O no hydrogen 2.891 N/A THR 70.A N ASN 68.A OD1 no hydrogen 2.987 N/A THR 70.A OG1 ASN 68.A OD1 no hydrogen 2.766 N/A LEU 72.A N GLY 83.A O no hydrogen 2.890 N/A THR 73.A OG1 SER 82.A OG no hydrogen 2.943 N/A LEU 74.A N VAL 81.A O no hydrogen 2.751 N/A TYR 76.A N GLY 79.A O no hydrogen 2.859 N/A GLY 79.A N TYR 76.A O no hydrogen 3.450 N/A VAL 81.A N LEU 74.A O no hydrogen 3.006 N/A SER 82.A N GLU 106.A O no hydrogen 3.184 N/A SER 82.A OG LEU 72.A O no hydrogen 3.354 N/A SER 82.A OG THR 73.A OG1 no hydrogen 2.943 N/A GLY 83.A N LEU 72.A O no hydrogen 2.938 N/A PHE 84.A N GLU 103.A O no hydrogen 3.199 N/A LEU 85.A N THR 70.A O no hydrogen 2.679 N/A SER 86.A N PHE 101.A O no hydrogen 2.865 N/A SER 86.A OG LEU 85.A O no hydrogen 3.039 N/A SER 86.A OG GLU 103.A OE1 no hydrogen 2.548 N/A GLN 87.A N LYS 66.A O no hydrogen 2.976 N/A ASP 88.A N GLN 99.A O no hydrogen 3.173 N/A ILE 89.A N ASP 88.A OD2 no hydrogen 2.804 N/A ILE 90.A N VAL 97.A O no hydrogen 2.828 N/A THR 91.A N GLY 18.A O no hydrogen 2.624 N/A VAL 92.A N ILE 95.A O no hydrogen 2.921 N/A ILE 95.A N VAL 92.A O no hydrogen 2.938 N/A VAL 97.A N ILE 90.A O no hydrogen 3.054 N/A GLN 99.A N ASP 88.A O no hydrogen 2.950 N/A GLN 99.A NE2 ASN 139.A OD1 no hydrogen 2.754 N/A PHE 101.A N SER 86.A O no hydrogen 2.786 N/A GLY 102.A N VAL 37.A O no hydrogen 2.716 N/A GLU 103.A N PHE 84.A O no hydrogen 2.763 N/A VAL 104.A N VAL 39.A O no hydrogen 3.030 N/A THR 105.A N SER 82.A O no hydrogen 2.844 N/A GLU 106.A N SER 82.A O no hydrogen 3.213 N/A PHE 112.A N PRO 108.A O no hydrogen 3.094 N/A MET 113.A N ALA 109.A O no hydrogen 2.647 N/A LEU 114.A N PRO 111.A O no hydrogen 2.780 N/A ALA 115.A N PHE 112.A O no hydrogen 2.971 N/A GLU 116.A N GLN 12.A OE1 no hydrogen 2.612 N/A ASP 118.A N LYS 27.A O no hydrogen 2.725 N/A GLY 119.A N LYS 27.A O no hydrogen 3.024 N/A VAL 120.A N TRP 38.A O no hydrogen 2.887 N/A VAL 121.A N VAL 29.A O no hydrogen 2.939 N/A GLY 122.A N ASN 36.A O no hydrogen 2.745 N/A MET 123.A N ASP 31.A O no hydrogen 2.838 N/A GLY 124.A N SER 34.A O no hydrogen 2.674 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.554 N/A GLN 128.A N PHE 125.A O no hydrogen 2.993 N/A ALA 129.A N ILE 126.A O no hydrogen 2.715 N/A ILE 130.A N ASN 36.A OD1 no hydrogen 2.915 N/A ASN 139.A N PRO 135.A O no hydrogen 3.219 N/A ILE 140.A N ILE 136.A O no hydrogen 2.970 N/A ILE 141.A N PHE 137.A O no hydrogen 2.847 N/A SER 142.A N ASP 138.A O no hydrogen 2.846 N/A SER 142.A OG ASP 138.A O no hydrogen 3.410 N/A GLN 143.A N ILE 140.A O no hydrogen 2.924 N/A GLY 144.A N ILE 141.A O no hydrogen 2.914 N/A PHE 151.A N PHE 320.A O no hydrogen 3.045 N/A SER 152.A N VAL 170.A O no hydrogen 2.803 N/A SER 152.A OG GLY 173.A O no hydrogen 2.532 N/A SER 152.A OG SER 174.A OG no hydrogen 2.557 N/A PHE 153.A N THR 318.A O no hydrogen 2.690 N/A TYR 154.A N GLN 168.A O no hydrogen 2.872 N/A TYR 155.A OH THR 220.A O no hydrogen 2.796 N/A ASN 156.A N GLY 166.A O no hydrogen 2.935 N/A SER 159.A N ASP 158.A OD2 no hydrogen 2.792 N/A SER 159.A OG SER 164.A OG no hydrogen 3.059 N/A ASN 161.A ND2 ASN 161.A O no hydrogen 2.369 N/A GLN 163.A N ASN 161.A O no hydrogen 2.803 N/A GLN 168.A N TYR 154.A O no hydrogen 2.813 N/A GLN 168.A NE2 ASP 175.A OD1 no hydrogen 2.785 N/A ILE 169.A N VAL 3.A O no hydrogen 3.334 N/A VAL 170.A N SER 152.A O no hydrogen 2.920 N/A LEU 171.A N SER 1.A O no hydrogen 2.560 N/A GLY 172.A N VAL 150.A O no hydrogen 2.723 N/A SER 174.A OG SER 152.A OG no hydrogen 2.557 N/A SER 174.A OG GLU 319.A OE2 no hydrogen 2.822 N/A ASP 175.A N TYR 317.A OH no hydrogen 2.763 N/A GLN 177.A N ASP 175.A OD2 no hydrogen 2.772 N/A GLN 177.A NE2 GLN 177.A O no hydrogen 3.148 N/A HIS 178.A N ASP 175.A O no hydrogen 2.924 N/A GLU 180.A N LEU 331.A O no hydrogen 2.955 N/A HIS 184.A N PHE 329.A O no hydrogen 2.982 N/A TYR 185.A OH GLU 319.A OE1 no hydrogen 3.010 N/A ILE 186.A N ILE 327.A O no hydrogen 2.890 N/A LEU 188.A N ASN 325.A O no hydrogen 2.902 N/A ILE 189.A N GLN 195.A O no hydrogen 3.106 N/A LYS 190.A NZ THR 191.A O no hydrogen 2.650 N/A THR 191.A OG1 ASN 325.A OD1 no hydrogen 2.894 N/A TRP 194.A NE1 MET 123.A O no hydrogen 3.107 N/A ILE 196.A N ALA 216.A O no hydrogen 2.882 N/A MET 198.A N CYS 214.A O no hydrogen 3.013 N/A LYS 199.A N HIS 264.A O no hydrogen 2.905 N/A VAL 201.A N LEU 209.A O no hydrogen 3.234 N/A SER 202.A N SER 262.A O no hydrogen 2.947 N/A VAL 203.A N SER 206.A O no hydrogen 3.376 N/A GLY 204.A N ASP 260.A O no hydrogen 2.849 N/A SER 206.A OG VAL 203.A O no hydrogen 3.524 N/A LEU 208.A N SER 206.A O no hydrogen 2.745 N/A LEU 209.A N VAL 201.A O no hydrogen 3.106 N/A CYS 210.A SG MET 198.A O no hydrogen 3.651 N/A CYS 210.A SG CYS 210.A O no hydrogen 2.640 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 3.325 N/A GLY 213.A N CYS 210.A O no hydrogen 3.294 N/A CYS 214.A N MET 198.A O no hydrogen 3.105 N/A CYS 214.A SG MET 198.A O no hydrogen 3.838 N/A ALA 216.A N ILE 196.A O no hydrogen 3.058 N/A LEU 217.A N TRP 306.A O no hydrogen 2.819 N/A VAL 218.A N TRP 194.A O no hydrogen 2.930 N/A ASP 219.A N LEU 308.A O no hydrogen 3.132 N/A THR 220.A N THR 32.A OG1 no hydrogen 2.740 N/A THR 220.A OG1 PHE 30.A O no hydrogen 2.640 N/A THR 220.A OG1 THR 32.A OG1 no hydrogen 3.399 N/A GLY 221.A N ASP 219.A OD2 no hydrogen 2.803 N/A ALA 222.A N ASP 219.A O no hydrogen 3.216 N/A SER 223.A OG THR 11.A O no hydrogen 2.562 N/A ILE 225.A N ALA 292.A O no hydrogen 3.231 N/A SER 226.A N ALA 307.A O no hydrogen 2.828 N/A GLY 227.A N HIS 294.A O no hydrogen 3.370 N/A SER 228.A OG SER 231.A OG no hydrogen 3.023 N/A THR 229.A N ASP 297.A OD2 no hydrogen 2.996 N/A THR 229.A OG1 ASP 297.A OD1 no hydrogen 2.586 N/A SER 231.A N SER 228.A OG no hydrogen 3.152 N/A SER 231.A OG SER 228.A OG no hydrogen 3.023 N/A ILE 232.A N SER 228.A O no hydrogen 2.905 N/A GLU 233.A N THR 229.A O no hydrogen 2.915 N/A LYS 234.A N SER 230.A O no hydrogen 3.113 N/A LYS 234.A NZ LEU 208.A O no hydrogen 3.032 N/A LEU 235.A N SER 231.A O no hydrogen 2.806 N/A MET 236.A N ILE 232.A O no hydrogen 2.598 N/A GLU 237.A N GLU 233.A O no hydrogen 2.977 N/A ALA 238.A N LYS 234.A O no hydrogen 3.343 N/A ALA 238.A N LEU 235.A O no hydrogen 3.122 N/A LEU 239.A N LEU 235.A O no hydrogen 3.217 N/A GLY 240.A N MET 236.A O no hydrogen 2.947 N/A ALA 241.A N MET 236.A O no hydrogen 3.049 N/A LYS 242.A N VAL 249.A O no hydrogen 2.811 N/A ARG 244.A N ASP 247.A O no hydrogen 2.775 N/A ARG 244.A NH1 ASP 247.A OD1 no hydrogen 3.138 N/A ARG 244.A NH1 ASP 247.A OD2 no hydrogen 3.442 N/A TYR 248.A OH GLU 233.A OE1 no hydrogen 2.647 N/A VAL 249.A N LYS 242.A O no hydrogen 2.939 N/A VAL 250.A N CYS 289.A O no hydrogen 3.042 N/A CYS 252.A N LYS 287.A O no hydrogen 2.968 N/A CYS 252.A SG LYS 287.A O no hydrogen 3.243 N/A GLU 254.A N LYS 251.A O no hydrogen 2.668 N/A GLY 255.A N LYS 251.A O no hydrogen 3.305 N/A GLY 255.A N CYS 252.A O no hydrogen 3.059 N/A THR 257.A N GLU 254.A O no hydrogen 3.130 N/A THR 257.A OG1 GLU 254.A O no hydrogen 3.235 N/A LEU 258.A N GLY 255.A O no hydrogen 3.006 N/A ILE 261.A N LEU 272.A O no hydrogen 3.028 N/A SER 262.A N SER 202.A O no hydrogen 2.695 N/A SER 262.A OG THR 271.A OG1 no hydrogen 3.144 N/A PHE 263.A N TYR 270.A O no hydrogen 2.956 N/A HIS 264.A N GLY 200.A O no hydrogen 2.717 N/A LEU 265.A N LYS 268.A O no hydrogen 3.107 N/A TYR 270.A N PHE 263.A O no hydrogen 2.938 N/A THR 271.A OG1 SER 262.A OG no hydrogen 3.144 N/A LEU 272.A N ILE 261.A O no hydrogen 2.868 N/A THR 273.A N ASP 276.A OD1 no hydrogen 2.871 N/A THR 273.A OG1 ASP 260.A OD2 no hydrogen 3.543 N/A SER 274.A OG GLY 255.A O no hydrogen 3.207 N/A SER 274.A OG PRO 256.A O no hydrogen 3.148 N/A ASP 276.A N THR 273.A O no hydrogen 2.720 N/A TYR 277.A N THR 273.A O no hydrogen 3.277 N/A TYR 277.A N SER 274.A O no hydrogen 3.211 N/A TYR 277.A OH PRO 259.A O no hydrogen 2.647 N/A VAL 278.A N SER 274.A O no hydrogen 3.054 N/A PHE 279.A N THR 290.A O no hydrogen 2.879 N/A GLU 281.A N PHE 279.A O no hydrogen 2.858 N/A SER 284.A N SER 282.A OG no hydrogen 2.972 N/A LYS 286.A N SER 284.A OG no hydrogen 2.947 N/A CYS 289.A N VAL 250.A O no hydrogen 2.955 N/A CYS 289.A SG PHE 279.A O no hydrogen 3.484 N/A CYS 289.A SG GLN 280.A OE1 no hydrogen 4.043 N/A CYS 289.A SG SER 282.A O no hydrogen 4.017 N/A THR 290.A OG1 ASP 247.A OD1 no hydrogen 2.881 N/A LEU 291.A N TYR 248.A O no hydrogen 3.086 N/A ALA 292.A N TYR 277.A O no hydrogen 2.560 N/A HIS 294.A N ILE 225.A O no hydrogen 2.945 N/A MET 296.A N GLY 227.A O no hydrogen 2.856 N/A GLY 303.A N PRO 299.A O no hydrogen 3.170 N/A THR 305.A OG1 GLN 195.A OE1 no hydrogen 2.890 N/A THR 305.A OG1 TRP 306.A O no hydrogen 2.822 N/A TRP 306.A N LEU 215.A O no hydrogen 2.826 N/A ALA 307.A N SER 226.A O no hydrogen 2.694 N/A LEU 308.A N LEU 217.A O no hydrogen 2.575 N/A ALA 310.A N ALA 222.A O no hydrogen 2.832 N/A THR 311.A OG1 SER 223.A O no hydrogen 3.362 N/A THR 311.A OG1 ALA 292.A O no hydrogen 2.871 N/A PHE 312.A N GLY 309.A O no hydrogen 3.062 N/A ILE 313.A N GLY 309.A O no hydrogen 3.013 N/A ARG 314.A N ALA 310.A O no hydrogen 2.937 N/A ARG 314.A NH1 ASP 10.A O no hydrogen 2.780 N/A ARG 314.A NH1 TYR 13.A OH no hydrogen 3.120 N/A LYS 315.A N PHE 312.A O no hydrogen 3.222 N/A LYS 315.A NZ THR 271.A O no hydrogen 2.852 N/A LYS 315.A NZ ASP 276.A OD1 no hydrogen 3.052 N/A PHE 316.A N PHE 312.A O no hydrogen 3.080 N/A THR 318.A N PHE 153.A O no hydrogen 3.088 N/A THR 318.A OG1 PHE 316.A O no hydrogen 2.865 N/A GLU 319.A N GLY 328.A O no hydrogen 2.917 N/A PHE 320.A N PHE 151.A O no hydrogen 2.713 N/A ASP 321.A N ARG 326.A O no hydrogen 3.022 N/A ARG 322.A N ASP 149.A O no hydrogen 3.022 N/A ARG 322.A NH1 ASP 138.A OD2 no hydrogen 2.666 N/A ARG 322.A NH2 ASP 138.A OD2 no hydrogen 3.148 N/A ASN 324.A N ASP 321.A OD2 no hydrogen 2.975 N/A ARG 326.A N ASP 321.A O no hydrogen 3.215 N/A ARG 326.A NH1 ASP 321.A OD1 no hydrogen 2.690 N/A ILE 327.A N ILE 186.A O no hydrogen 2.882 N/A GLY 328.A N GLU 319.A O no hydrogen 2.927 N/A PHE 329.A N HIS 184.A O no hydrogen 3.054 N/A ALA 330.A N TYR 317.A O no hydrogen 3.140 N/A ALA 332.A N LYS 315.A O no hydrogen 2.923 N/A ARG 333.A N HIS 178.A O no hydrogen 2.933 N/A