Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8sh2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG PRO 6.A O no hydrogen 3.418 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.957 N/A ARG 9.A NE ALA 7.A O no hydrogen 3.056 N/A ARG 9.A NH1 GLY 25.A O no hydrogen 3.318 N/A ARG 9.A NH2 ALA 7.A O no hydrogen 3.242 N/A SER 10.A N TYR 27.A O no hydrogen 2.954 N/A SER 10.A OG ARG 9.A O no hydrogen 2.776 N/A SER 10.A OG HIS 327.A ND1 no hydrogen 2.531 N/A VAL 15.A N PHE 22.A O no hydrogen 2.915 N/A SER 16.A OG ALA 303.A O no hydrogen 3.541 N/A ASP 17.A N ASP 17.A OD1 no hydrogen 2.587 N/A GLY 18.A N SER 16.A OG no hydrogen 2.675 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 3.087 N/A HIS 20.A N ASP 17.A OD1 no hydrogen 2.639 N/A MET 21.A N TYR 48.A O no hydrogen 3.207 N/A PHE 22.A N VAL 15.A O no hydrogen 2.907 N/A VAL 23.A N TRP 46.A O no hydrogen 2.848 N/A TRP 24.A N VAL 13.A O no hydrogen 2.938 N/A GLY 26.A N MET 68.A O no hydrogen 2.790 N/A TYR 27.A N SER 10.A O no hydrogen 3.464 N/A LYS 28.A N PHE 38.A O no hydrogen 2.879 N/A SER 29.A N HIS 327.A NE2 no hydrogen 3.266 N/A SER 29.A OG ALA 325.A O no hydrogen 3.017 N/A ASN 30.A ND2 GLN 31.A OE1 no hydrogen 3.226 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.801 N/A PHE 38.A N LYS 28.A O no hydrogen 2.934 N/A TYR 39.A OH HIS 86.A ND1 no hydrogen 3.055 N/A LEU 40.A N GLY 26.A O no hydrogen 2.951 N/A ARG 42.A NE PRO 65.A O no hydrogen 2.634 N/A ARG 42.A NH2 VAL 64.A O no hydrogen 2.507 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.906 N/A LEU 45.A N ILE 58.A O no hydrogen 2.928 N/A TRP 46.A N VAL 23.A O no hydrogen 2.964 N/A ILE 47.A N LYS 56.A O no hydrogen 2.918 N/A TYR 48.A N MET 21.A O no hydrogen 2.924 N/A ASN 49.A N ARG 54.A O no hydrogen 3.034 N/A MET 50.A N ARG 19.A O no hydrogen 3.358 N/A GLU 51.A N ASN 49.A OD1 no hydrogen 2.716 N/A THR 52.A N ASN 49.A OD1 no hydrogen 3.119 N/A LYS 56.A N ILE 47.A O no hydrogen 2.884 N/A LYS 57.A NZ GLU 44.A OE1 no hydrogen 2.477 N/A ILE 58.A N LEU 45.A O no hydrogen 2.935 N/A THR 60.A N GLU 43.A O no hydrogen 3.016 N/A THR 60.A OG1 GLU 43.A O no hydrogen 3.281 N/A GLU 61.A N LEU 107.A O no hydrogen 3.114 N/A ASP 63.A N TRP 109.A O no hydrogen 3.312 N/A SER 67.A OG LEU 40.A O no hydrogen 2.944 N/A SER 69.A N HIS 86.A O no hydrogen 2.738 N/A SER 69.A OG TYR 39.A OH no hydrogen 3.148 N/A SER 69.A OG HIS 86.A ND1 no hydrogen 2.886 N/A SER 69.A OG HIS 86.A O no hydrogen 2.837 N/A SER 71.A OG PHE 83.A O no hydrogen 2.670 N/A CYS 72.A N SER 71.A OG no hydrogen 2.596 N/A CYS 72.A N PHE 83.A O no hydrogen 3.043 N/A CYS 72.A SG LEU 125.A O no hydrogen 4.021 N/A VAL 74.A N TYR 81.A O no hydrogen 2.920 N/A VAL 76.A N VAL 79.A O no hydrogen 2.895 N/A ARG 78.A NE SER 100.A OG no hydrogen 3.057 N/A ARG 78.A NH2 SER 100.A O no hydrogen 2.494 N/A VAL 79.A N VAL 76.A O no hydrogen 2.917 N/A LEU 80.A N LEU 98.A O no hydrogen 2.937 N/A TYR 81.A N VAL 74.A O no hydrogen 2.914 N/A LEU 82.A N TYR 96.A O no hydrogen 2.870 N/A PHE 83.A N CYS 72.A O no hydrogen 2.782 N/A GLY 85.A N LYS 122.A O no hydrogen 3.140 N/A HIS 86.A ND1 SER 69.A OG no hydrogen 2.886 N/A HIS 87.A N GLY 90.A O no hydrogen 2.602 N/A GLY 90.A N HIS 87.A O no hydrogen 2.758 N/A ASN 91.A N TYR 142.A OH no hydrogen 3.282 N/A THR 92.A N GLY 85.A O no hydrogen 2.833 N/A ASN 93.A ND2 PRO 119.A O no hydrogen 2.643 N/A TYR 96.A N LEU 82.A O no hydrogen 2.863 N/A MET 97.A N GLU 110.A O no hydrogen 2.871 N/A LEU 98.A N LEU 80.A O no hydrogen 3.038 N/A SER 100.A OG ARG 78.A O no hydrogen 2.493 N/A ARG 101.A NE ASP 99.A OD1 no hydrogen 3.422 N/A THR 103.A OG1 ASP 104.A OD1 no hydrogen 3.216 N/A GLN 108.A NE2 VAL 106.A O no hydrogen 2.878 N/A TRP 109.A N GLU 61.A O no hydrogen 2.618 N/A GLU 110.A N MET 97.A O no hydrogen 2.913 N/A ARG 111.A NH1 ASP 113.A OD1 no hydrogen 2.944 N/A ARG 111.A NH1 ASP 113.A OD2 no hydrogen 3.186 N/A ARG 111.A NH2 ASP 113.A OD2 no hydrogen 3.205 N/A ILE 112.A N PHE 95.A O no hydrogen 2.920 N/A CYS 114.A SG ILE 112.A O no hydrogen 4.015 N/A GLN 115.A N PHE 180.A O no hydrogen 3.106 N/A SER 120.A OG TYR 142.A O no hydrogen 2.731 N/A ASP 123.A N TYR 140.A O no hydrogen 3.088 N/A LYS 124.A NZ ASP 123.A OD1 no hydrogen 3.141 N/A LYS 124.A NZ ASP 123.A OD2 no hydrogen 2.812 N/A GLY 126.A N PHE 137.A O no hydrogen 2.900 N/A TRP 128.A N ILE 135.A O no hydrogen 2.875 N/A TYR 130.A N LYS 133.A O no hydrogen 2.952 N/A TYR 130.A OH ASP 228.A OD1 no hydrogen 3.049 N/A ASN 132.A N ASN 132.A OD1 no hydrogen 2.501 N/A LYS 133.A N TYR 130.A O no hydrogen 2.904 N/A LYS 133.A NZ ASN 132.A OD1 no hydrogen 3.351 N/A LEU 134.A N LEU 175.A O no hydrogen 2.971 N/A ILE 135.A N TRP 128.A O no hydrogen 2.905 N/A PHE 136.A N HIS 173.A O no hydrogen 2.852 N/A PHE 137.A N GLY 126.A O no hydrogen 2.900 N/A GLY 138.A N HIS 171.A O no hydrogen 3.194 N/A TYR 140.A N ASP 123.A O no hydrogen 2.868 N/A GLY 141.A N GLY 167.A O no hydrogen 2.908 N/A TYR 142.A N SER 121.A O no hydrogen 3.120 N/A LEU 149.A N GLN 184.A OE1 no hydrogen 2.650 N/A THR 151.A N ASP 170.A OD1 no hydrogen 2.833 N/A THR 151.A OG1 ASP 170.A OD1 no hydrogen 2.746 N/A THR 151.A OG1 ASP 170.A OD2 no hydrogen 3.017 N/A GLU 153.A N TRP 168.A O no hydrogen 3.020 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 3.117 N/A SER 158.A OG ASP 155.A O no hydrogen 2.422 N/A SER 158.A OG ARG 166.A O no hydrogen 2.839 N/A TRP 160.A N THR 157.A O no hydrogen 2.984 N/A ASN 161.A N THR 157.A O no hydrogen 2.852 N/A ASN 161.A N SER 158.A O no hydrogen 3.170 N/A HIS 164.A N SER 162.A OG no hydrogen 3.255 N/A ARG 166.A N SER 158.A OG no hydrogen 3.098 N/A ARG 166.A NH2 ASN 161.A OD1 no hydrogen 3.127 N/A GLY 167.A N GLY 141.A O no hydrogen 2.766 N/A TRP 168.A N GLU 153.A O no hydrogen 2.894 N/A ASN 169.A N GLY 139.A O no hydrogen 2.958 N/A HIS 171.A N ASN 169.A OD1 no hydrogen 3.349 N/A HIS 173.A N PHE 136.A O no hydrogen 2.967 N/A ILE 174.A N SER 183.A O no hydrogen 2.880 N/A LEU 175.A N LEU 134.A O no hydrogen 2.861 N/A ASP 176.A N THR 181.A O no hydrogen 2.924 N/A THR 177.A OG1 ASN 132.A O no hydrogen 3.329 N/A THR 177.A OG1 GLU 178.A OE2 no hydrogen 3.568 N/A THR 179.A OG1 ASP 176.A O no hydrogen 3.407 N/A THR 179.A OG1 THR 181.A OG1 no hydrogen 2.747 N/A THR 181.A N ASP 176.A O no hydrogen 2.911 N/A THR 181.A OG1 THR 179.A OG1 no hydrogen 2.747 N/A TRP 182.A N GLN 115.A O no hydrogen 2.537 N/A SER 183.A N ILE 174.A O no hydrogen 2.882 N/A SER 183.A OG ILE 174.A O no hydrogen 3.416 N/A GLN 184.A NE2 LEU 149.A O no hydrogen 3.358 N/A GLN 184.A NE2 VAL 172.A O no hydrogen 2.884 N/A THR 188.A N TRP 230.A O no hydrogen 3.458 N/A THR 188.A OG1 TRP 230.A O no hydrogen 2.724 N/A LYS 190.A NZ GLU 234.A OE1 no hydrogen 2.458 N/A ARG 195.A NE SER 193.A OG no hydrogen 3.020 N/A ARG 195.A NH1 ASP 221.A OD2 no hydrogen 2.896 N/A ARG 195.A NH1 HIS 223.A NE2 no hydrogen 3.364 N/A ARG 195.A NH2 SER 193.A OG no hydrogen 2.529 N/A ARG 195.A NH2 ASP 221.A OD2 no hydrogen 3.106 N/A ALA 199.A N PHE 210.A O no hydrogen 3.190 N/A CYS 200.A SG HIS 198.A NE2 no hydrogen 3.455 N/A ALA 201.A N PHE 208.A O no hydrogen 2.917 N/A VAL 203.A N ARG 206.A O no hydrogen 3.047 N/A ASN 205.A ND2 ASP 228.A OD2 no hydrogen 2.727 N/A ARG 206.A NH1 ASN 205.A O no hydrogen 2.737 N/A GLY 207.A N LEU 225.A O no hydrogen 2.604 N/A PHE 208.A N ALA 201.A O no hydrogen 2.899 N/A VAL 209.A N HIS 223.A O no hydrogen 2.905 N/A PHE 210.A N ALA 199.A O no hydrogen 2.923 N/A GLY 211.A N ASP 221.A O no hydrogen 2.875 N/A ARG 213.A N ALA 196.A O no hydrogen 2.891 N/A TYR 214.A OH GLU 153.A OE1 no hydrogen 2.735 N/A ARG 215.A NE GLU 153.A OE2 no hydrogen 3.058 N/A ARG 215.A NH2 GLU 153.A OE2 no hydrogen 3.311 N/A ASN 220.A ND2 PRO 242.A O no hydrogen 2.664 N/A HIS 223.A N VAL 209.A O no hydrogen 2.906 N/A HIS 223.A NE2 ASP 221.A OD2 no hydrogen 2.880 N/A TYR 224.A N ASN 233.A O no hydrogen 2.903 N/A LEU 225.A N GLY 207.A O no hydrogen 2.834 N/A ASN 226.A N GLU 231.A O no hydrogen 3.278 N/A LEU 227.A N ASN 205.A O no hydrogen 2.655 N/A ASP 228.A N ASN 226.A OD1 no hydrogen 2.836 N/A THR 229.A N ASN 226.A OD1 no hydrogen 3.341 N/A TRP 232.A N THR 188.A O no hydrogen 2.595 N/A ASN 233.A N TYR 224.A O no hydrogen 2.886 N/A GLN 238.A N ASN 282.A O no hydrogen 3.271 N/A CYS 241.A SG PRO 237.A O no hydrogen 4.003 N/A ARG 245.A NE VAL 243.A O no hydrogen 2.884 N/A ARG 245.A NH1 GLY 262.A O no hydrogen 3.147 N/A ARG 245.A NH2 ASP 273.A OD2 no hydrogen 2.660 N/A SER 246.A N PHE 264.A O no hydrogen 2.747 N/A HIS 248.A NE2 PHE 210.A O no hydrogen 2.688 N/A SER 249.A OG HIS 248.A O no hydrogen 2.664 N/A SER 249.A OG HIS 299.A O no hydrogen 2.541 N/A SER 254.A N HIS 257.A O no hydrogen 3.013 N/A ASP 256.A N SER 254.A OG no hydrogen 3.333 N/A HIS 257.A N SER 254.A O no hydrogen 3.060 N/A LEU 258.A N TYR 277.A O no hydrogen 2.921 N/A PHE 259.A N THR 251.A O no hydrogen 3.039 N/A LEU 260.A N TRP 275.A O no hydrogen 2.873 N/A GLY 262.A N ASP 273.A O no hydrogen 2.788 N/A PHE 264.A N SER 246.A O no hydrogen 2.572 N/A THR 265.A N GLN 269.A O no hydrogen 2.904 N/A THR 265.A OG1 ASP 267.A OD1 no hydrogen 2.814 N/A THR 265.A OG1 GLN 269.A O no hydrogen 3.106 N/A THR 266.A OG1 ARG 218.A O no hydrogen 3.429 N/A ASP 267.A N ASP 267.A OD1 no hydrogen 2.528 N/A LYS 268.A N THR 265.A O no hydrogen 3.374 N/A GLN 269.A N THR 265.A OG1 no hydrogen 2.887 N/A SER 272.A OG THR 292.A O no hydrogen 2.514 N/A TRP 275.A N LEU 260.A O no hydrogen 2.895 N/A THR 276.A N ILE 285.A O no hydrogen 2.857 N/A TYR 277.A N LEU 258.A O no hydrogen 2.855 N/A TYR 277.A OH ASN 282.A OD1 no hydrogen 2.653 N/A CYS 278.A N GLU 283.A O no hydrogen 2.928 N/A CYS 278.A SG ASP 256.A OD2 no hydrogen 3.328 N/A CYS 278.A SG HIS 257.A NE2 no hydrogen 3.472 N/A CYS 278.A SG SER 280.A OG no hydrogen 3.201 N/A ILE 279.A N ASP 256.A O no hydrogen 3.240 N/A SER 280.A OG ASP 256.A OD1 no hydrogen 3.429 N/A SER 280.A OG ASP 256.A OD2 no hydrogen 2.548 N/A ASN 282.A ND2 GLN 238.A OE1 no hydrogen 3.368 N/A GLU 283.A N CYS 278.A O no hydrogen 2.931 N/A TRP 284.A N GLN 238.A O no hydrogen 3.387 N/A ILE 285.A N THR 276.A O no hydrogen 2.918 N/A PHE 287.A N ALA 274.A O no hydrogen 2.886 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 2.769 N/A ARG 296.A NH1 PRO 295.A O no hydrogen 2.707 N/A ARG 296.A NH2 GLU 330.A OE2 no hydrogen 2.935 N/A TRP 298.A N TRP 247.A O no hydrogen 2.656 N/A HIS 299.A NE2 PHE 261.A O no hydrogen 2.633 N/A THR 300.A OG1 HIS 12.A NE2 no hydrogen 3.082 N/A THR 300.A OG1 PHE 312.A O no hydrogen 2.687 N/A CYS 302.A N ILE 310.A O no hydrogen 2.913 N/A SER 304.A N GLU 308.A O no hydrogen 3.015 N/A SER 304.A OG GLU 308.A OE1 no hydrogen 2.419 N/A ASP 305.A N GLY 18.A O no hydrogen 2.943 N/A GLY 307.A N SER 304.A O no hydrogen 3.322 N/A GLU 308.A N SER 304.A OG no hydrogen 2.881 N/A VAL 309.A N PHE 334.A O no hydrogen 2.856 N/A ILE 310.A N CYS 302.A O no hydrogen 2.928 N/A VAL 311.A N LEU 332.A O no hydrogen 2.820 N/A PHE 312.A N THR 300.A O no hydrogen 3.254 N/A CYS 315.A SG ASN 317.A O no hydrogen 3.263 N/A CYS 315.A SG ASN 317.A OD1 no hydrogen 3.126 N/A CYS 315.A SG ASN 318.A O no hydrogen 3.428 N/A CYS 315.A SG ALA 326.A O no hydrogen 3.281 N/A CYS 315.A SG HIS 327.A ND1 no hydrogen 3.635 N/A ALA 316.A N ALA 326.A O no hydrogen 3.014 N/A ASN 317.A ND2 ARG 324.A O no hydrogen 2.602 N/A LEU 320.A N ASN 318.A OD1 no hydrogen 3.201 N/A ALA 325.A N HIS 322.A O no hydrogen 3.383 N/A ALA 326.A N ASN 317.A OD1 no hydrogen 2.689 N/A HIS 327.A ND1 SER 10.A OG no hydrogen 2.531 N/A ASN 329.A ND2 PRO 6.A O no hydrogen 2.447 N/A LEU 332.A N VAL 311.A O no hydrogen 2.955 N/A PHE 334.A N VAL 309.A O no hydrogen 2.867 N/A ARG 343.A N SER 340.A OG no hydrogen 3.136 N/A ARG 343.A NE SER 340.A OG no hydrogen 3.117 N/A ARG 343.A NH1 GLU 308.A OE2 no hydrogen 2.451 N/A LEU 344.A N SER 340.A O no hydrogen 2.476 N/A SER 345.A N LEU 341.A O no hydrogen 2.977 N/A SER 345.A OG LEU 341.A O no hydrogen 2.851 N/A LEU 346.A N VAL 342.A O no hydrogen 2.893 N/A GLU 347.A N ARG 343.A O no hydrogen 2.922 N/A ALA 348.A N LEU 344.A O no hydrogen 2.831 N/A VAL 349.A N SER 345.A O no hydrogen 3.055 N/A ILE 350.A N LEU 346.A O no hydrogen 2.894 N/A CYS 351.A N GLU 347.A O no hydrogen 2.944 N/A CYS 351.A SG GLU 347.A OE1 no hydrogen 3.789 N/A TRP 360.A N LEU 356.A O no hydrogen 2.880 N/A TRP 360.A NE1 VAL 349.A O no hydrogen 2.589 N/A ASN 361.A N ALA 357.A O no hydrogen 2.975 N/A CYS 362.A SG ASN 358.A O no hydrogen 3.313 N/A LEU 368.A N PRO 364.A O no hydrogen 2.609 N/A HIS 369.A N LYS 365.A O no hydrogen 2.924 N/A SER 370.A N HIS 366.A O no hydrogen 2.958 N/A SER 370.A OG HIS 366.A O no hydrogen 2.709 N/A VAL 371.A N LEU 367.A O no hydrogen 2.825 N/A ASN 372.A N LEU 368.A O no hydrogen 2.655 N/A GLN 373.A NE2 THR 52.A OG1 no hydrogen 2.650 N/A GLN 373.A NE2 GLY 53.A O no hydrogen 2.713 N/A ARG 374.A N SER 370.A O no hydrogen 3.023 N/A