Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1shz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N HIS 172.A O no hydrogen 3.018 N/A LYS 5.A N THR 196.A OG1 no hydrogen 3.402 N/A LYS 5.A NZ CYS 191.A O no hydrogen 3.532 N/A LYS 5.A NZ GLU 193.A O no hydrogen 2.908 N/A LYS 5.A NZ GLU 193.A OE2 no hydrogen 2.677 N/A LEU 6.A N LYS 174.A O no hydrogen 3.179 N/A LEU 7.A N ALA 197.A O no hydrogen 2.976 N/A LEU 8.A N PHE 176.A O no hydrogen 3.014 N/A LEU 9.A N ILE 199.A O no hydrogen 3.122 N/A SER 14.A OG ALA 11.A O no hydrogen 2.784 N/A SER 14.A OG CYS 201.A O no hydrogen 3.524 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.223 N/A LYS 16.A NZ SER 14.A OG no hydrogen 3.406 N/A SER 17.A OG THR 158.A OG1 no hydrogen 3.309 N/A SER 17.A OG ASP 177.A OD2 no hydrogen 2.728 N/A PHE 19.A N GLY 15.A O no hydrogen 3.081 N/A PHE 19.A N LYS 16.A O no hydrogen 2.978 N/A LEU 20.A N LYS 16.A O no hydrogen 3.382 N/A LYS 21.A N SER 17.A O no hydrogen 3.253 N/A LYS 21.A NZ ILE 151.A O no hydrogen 3.052 N/A GLN 22.A N THR 18.A O no hydrogen 3.195 N/A GLN 22.A NE2 ALA 303.A O no hydrogen 2.646 N/A MET 23.A N PHE 19.A O no hydrogen 2.892 N/A ARG 24.A N LEU 20.A O no hydrogen 2.773 N/A ARG 24.A NE GLN 29.A O no hydrogen 3.013 N/A ARG 24.A NH2 GLN 29.A OE1 no hydrogen 3.041 N/A ILE 25.A N LYS 21.A O no hydrogen 2.808 N/A ILE 26.A N GLN 22.A O no hydrogen 2.808 N/A HIS 27.A N MET 23.A O no hydrogen 2.714 N/A ALA 35.A N ASP 32.A O no hydrogen 2.760 N/A ARG 36.A N ASP 32.A O no hydrogen 2.978 N/A ARG 36.A NE PRO 146.A O no hydrogen 2.755 N/A ARG 36.A NH1 PHE 31.A O no hydrogen 3.177 N/A GLU 37.A N GLN 33.A O no hydrogen 3.167 N/A PHE 39.A N ARG 36.A O no hydrogen 2.938 N/A ARG 40.A N GLU 37.A O no hydrogen 2.675 N/A ARG 40.A NE TYR 144.A O no hydrogen 2.934 N/A ARG 40.A NH2 TYR 144.A O no hydrogen 2.886 N/A ILE 43.A N PHE 39.A O no hydrogen 3.028 N/A TYR 44.A N ARG 40.A O no hydrogen 2.980 N/A TYR 44.A OH LEU 139.A O no hydrogen 3.277 N/A ASN 46.A N ILE 43.A O no hydrogen 3.117 N/A ASN 46.A ND2 ARG 155.A O no hydrogen 3.696 N/A VAL 47.A N ILE 43.A O no hydrogen 3.204 N/A ILE 48.A N TYR 44.A O no hydrogen 3.208 N/A LYS 49.A NZ SER 45.A OG no hydrogen 2.895 N/A LYS 49.A NZ ALA 87.A O no hydrogen 3.343 N/A GLY 50.A N ASN 46.A O no hydrogen 2.868 N/A MET 51.A N VAL 47.A O no hydrogen 2.976 N/A ARG 52.A N ILE 48.A O no hydrogen 3.031 N/A VAL 53.A N LYS 49.A O no hydrogen 3.118 N/A LEU 54.A N GLY 50.A O no hydrogen 3.110 N/A VAL 55.A N MET 51.A O no hydrogen 2.922 N/A ASP 56.A N ARG 52.A O no hydrogen 3.122 N/A ALA 57.A N VAL 53.A O no hydrogen 2.811 N/A ARG 58.A N LEU 54.A O no hydrogen 2.785 N/A ARG 58.A NE ILE 63.A O no hydrogen 2.987 N/A GLU 59.A N VAL 55.A O no hydrogen 3.388 N/A LYS 60.A N ASP 56.A O no hydrogen 2.976 N/A LEU 61.A N ALA 57.A O no hydrogen 2.659 N/A HIS 62.A N GLU 59.A O no hydrogen 3.256 N/A ILE 63.A N ARG 58.A O no hydrogen 2.877 N/A GLY 66.A N ASP 110.A OD2 no hydrogen 3.156 N/A LYS 69.A N ASP 67.A OD1 no hydrogen 3.131 N/A LYS 69.A NZ ASN 70.A OD1 no hydrogen 3.462 N/A ASN 70.A N ASP 67.A O no hydrogen 3.153 N/A ASN 70.A ND2 ASP 110.A OD1 no hydrogen 2.571 N/A GLN 71.A N ASN 68.A O no hydrogen 3.221 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 2.777 N/A HIS 73.A N ASN 70.A O no hydrogen 2.997 N/A GLY 74.A N ASN 70.A O no hydrogen 2.973 N/A ASP 75.A N GLN 71.A O no hydrogen 3.369 N/A LYS 76.A NZ GLN 99.A O no hydrogen 3.277 N/A LEU 77.A N HIS 73.A O no hydrogen 3.448 N/A MET 78.A N GLY 74.A O no hydrogen 3.083 N/A ALA 79.A N ASP 75.A O no hydrogen 2.856 N/A PHE 80.A N LEU 77.A O no hydrogen 3.180 N/A ARG 83.A N ASP 81.A OD1 no hydrogen 2.917 N/A ALA 88.A N ALA 84.A O no hydrogen 2.629 N/A GLN 89.A N PRO 85.A O no hydrogen 3.362 N/A GLN 89.A NE2 PRO 85.A O no hydrogen 3.477 N/A GLY 90.A N ALA 87.A O no hydrogen 3.165 N/A MET 91.A N MET 86.A O no hydrogen 3.070 N/A VAL 92.A N PRO 41.A O no hydrogen 2.745 N/A PHE 97.A N GLU 93.A O no hydrogen 2.873 N/A LEU 98.A N THR 94.A O no hydrogen 2.938 N/A GLN 99.A N VAL 96.A O no hydrogen 2.830 N/A TYR 100.A N PHE 97.A O no hydrogen 2.787 N/A LEU 101.A N PHE 97.A O no hydrogen 3.104 N/A ILE 104.A N TYR 100.A O no hydrogen 2.952 N/A ARG 105.A N LEU 101.A O no hydrogen 2.883 N/A ALA 106.A N PRO 102.A O no hydrogen 3.258 N/A LEU 107.A N ALA 103.A O no hydrogen 2.885 N/A TRP 108.A N ILE 104.A O no hydrogen 2.953 N/A TRP 108.A N ARG 105.A O no hydrogen 3.234 N/A GLU 109.A N ARG 105.A O no hydrogen 3.185 N/A GLU 109.A N ALA 106.A O no hydrogen 3.118 N/A ASP 110.A N ALA 106.A O no hydrogen 3.160 N/A GLY 112.A N ASP 110.A OD2 no hydrogen 3.134 N/A GLN 114.A NE2 TRP 108.A O no hydrogen 3.550 N/A ASN 115.A N SER 111.A O no hydrogen 3.121 N/A ALA 116.A N GLY 112.A O no hydrogen 3.276 N/A ALA 116.A N ILE 113.A O no hydrogen 3.084 N/A TYR 117.A N ILE 113.A O no hydrogen 3.086 N/A ASP 118.A N GLN 114.A O no hydrogen 2.992 N/A ARG 119.A N ALA 116.A O no hydrogen 2.728 N/A ARG 119.A NE GLU 122.A OE1 no hydrogen 2.814 N/A ARG 119.A NH2 GLU 122.A OE1 no hydrogen 2.683 N/A ARG 119.A NH2 GLU 122.A OE2 no hydrogen 3.103 N/A ARG 120.A N TYR 117.A O no hydrogen 3.290 N/A ARG 120.A NH1 TYR 117.A O no hydrogen 2.610 N/A GLU 122.A N ARG 119.A O no hydrogen 3.095 N/A PHE 123.A N ARG 120.A O no hydrogen 2.938 N/A SER 128.A OG LEU 153.A O no hydrogen 2.770 N/A VAL 129.A N GLY 126.A O no hydrogen 3.189 N/A LYS 130.A NZ ASP 134.A OD2 no hydrogen 2.826 N/A TYR 131.A OH ASP 150.A OD1 no hydrogen 2.587 N/A LEU 133.A N VAL 129.A O no hydrogen 2.956 N/A ASP 134.A N LYS 130.A O no hydrogen 3.142 N/A ASN 135.A N PHE 132.A O no hydrogen 2.795 N/A ASN 135.A ND2 TYR 131.A O no hydrogen 2.662 N/A LYS 138.A NZ ASP 150.A OD1 no hydrogen 3.299 N/A LYS 138.A NZ ASP 150.A OD2 no hydrogen 2.914 N/A LEU 139.A N ASN 135.A O no hydrogen 3.276 N/A GLY 140.A N ASP 137.A O no hydrogen 3.181 N/A TYR 144.A OH ASP 150.A OD2 no hydrogen 2.754 N/A SER 147.A OG ASP 150.A OD1 no hydrogen 2.634 N/A ASP 150.A N SER 147.A OG no hydrogen 3.262 N/A ILE 151.A N SER 147.A O no hydrogen 3.338 N/A LEU 153.A N GLN 149.A O no hydrogen 3.013 N/A ALA 154.A N ILE 151.A O no hydrogen 3.092 N/A ARG 156.A NH2 GLN 89.A O no hydrogen 2.986 N/A THR 158.A OG1 SER 17.A OG no hydrogen 3.309 N/A GLY 160.A N GLU 184.A OE1 no hydrogen 2.799 N/A GLY 160.A N GLU 184.A OE2 no hydrogen 2.754 N/A HIS 162.A N ASP 177.A O no hydrogen 2.712 N/A THR 164.A OG1 MET 175.A O no hydrogen 3.532 N/A PHE 166.A N PHE 173.A O no hydrogen 3.353 N/A THR 167.A OG1 HIS 172.A ND1 no hydrogen 3.408 N/A PHE 168.A N LEU 171.A O no hydrogen 3.287 N/A LYS 169.A NZ ASP 314.A OD1 no hydrogen 2.650 N/A LYS 169.A NZ ASP 318.A OD1 no hydrogen 2.772 N/A LEU 171.A N PHE 168.A O no hydrogen 3.057 N/A PHE 173.A N PHE 166.A O no hydrogen 3.024 N/A LYS 174.A N VAL 4.A O no hydrogen 2.643 N/A MET 175.A N THR 164.A O no hydrogen 2.777 N/A PHE 176.A N LEU 6.A O no hydrogen 3.167 N/A ASP 177.A N HIS 162.A O no hydrogen 2.696 N/A ARG 182.A N GLU 213.A OE2 no hydrogen 3.194 N/A ARG 182.A NE GLU 222.A OE2 no hydrogen 3.191 N/A GLU 184.A N GLN 181.A O no hydrogen 2.802 N/A ARG 185.A N ARG 182.A O no hydrogen 3.263 N/A ARG 185.A NE GLY 180.A O no hydrogen 2.817 N/A ARG 185.A NH1 GLU 222.A OE2 no hydrogen 2.859 N/A ARG 185.A NH2 GLY 180.A O no hydrogen 3.006 N/A ARG 185.A NH2 GLU 222.A OE2 no hydrogen 3.302 N/A LYS 187.A N GLU 184.A O no hydrogen 3.369 N/A LYS 187.A NZ GLU 184.A OE2 no hydrogen 2.927 N/A TRP 188.A N ARG 185.A O no hydrogen 2.854 N/A TRP 188.A NE1 GLY 179.A O no hydrogen 2.896 N/A GLU 190.A N GLU 190.A OE2 no hydrogen 2.690 N/A CYS 191.A N TRP 188.A O no hydrogen 2.860 N/A THR 196.A N LYS 5.A O no hydrogen 2.906 N/A ALA 197.A N LYS 5.A O no hydrogen 3.084 N/A ILE 198.A N SER 240.A O no hydrogen 3.027 N/A ILE 199.A N LEU 7.A O no hydrogen 2.911 N/A PHE 200.A N ILE 242.A O no hydrogen 2.957 N/A CYS 201.A N LEU 9.A O no hydrogen 3.047 N/A CYS 201.A SG ILE 199.A O no hydrogen 3.846 N/A VAL 202.A N PHE 244.A O no hydrogen 2.792 N/A LEU 204.A N ASN 246.A O no hydrogen 2.847 N/A SER 205.A OG LYS 247.A O no hydrogen 3.423 N/A GLN 209.A NE2 SER 205.A O no hydrogen 3.492 N/A LEU 211.A N THR 217.A O no hydrogen 2.903 N/A ARG 215.A NH1 MET 212.A O no hydrogen 3.226 N/A GLN 216.A N ASP 214.A O no hydrogen 2.406 N/A THR 217.A OG1 ASP 214.A OD2 no hydrogen 2.573 N/A THR 217.A OG1 GLN 216.A O no hydrogen 2.818 N/A ASN 218.A ND2 TYR 207.A O no hydrogen 2.793 N/A ASN 218.A ND2 ILE 262.A O no hydrogen 3.653 N/A ARG 219.A N GLN 209.A O no hydrogen 3.080 N/A ARG 219.A NH1 GLU 13.A OE1 no hydrogen 3.452 N/A MET 220.A N ASP 206.A O no hydrogen 3.113 N/A HIS 221.A N ASN 218.A OD1 no hydrogen 3.332 N/A GLU 222.A N ASN 218.A O no hydrogen 3.091 N/A GLU 222.A N ARG 219.A O no hydrogen 2.678 N/A SER 223.A N ARG 219.A O no hydrogen 3.027 N/A MET 224.A N MET 220.A O no hydrogen 3.181 N/A LYS 225.A N HIS 221.A O no hydrogen 3.293 N/A LYS 225.A NZ GLU 222.A OE1 no hydrogen 3.232 N/A LEU 226.A N GLU 222.A O no hydrogen 2.741 N/A PHE 227.A N SER 223.A O no hydrogen 2.958 N/A ASP 228.A N MET 224.A O no hydrogen 3.013 N/A SER 229.A N LEU 226.A O no hydrogen 3.341 N/A ILE 230.A N LEU 226.A O no hydrogen 3.285 N/A CYS 231.A N PHE 227.A O no hydrogen 2.956 N/A CYS 231.A SG ASN 232.A OD1 no hydrogen 3.839 N/A ASN 232.A ND2 LEU 287.A O no hydrogen 3.558 N/A ASN 233.A N ILE 230.A O no hydrogen 2.874 N/A TRP 235.A N ASN 233.A OD1 no hydrogen 3.382 N/A PHE 236.A N ASN 233.A O no hydrogen 2.693 N/A THR 237.A OG1 LYS 234.A O no hydrogen 3.246 N/A THR 239.A N PHE 236.A O no hydrogen 3.433 N/A THR 239.A OG1 VAL 195.A O no hydrogen 2.877 N/A SER 240.A OG THR 196.A O no hydrogen 3.499 N/A ILE 242.A N ILE 198.A O no hydrogen 2.867 N/A LEU 243.A N TYR 297.A O no hydrogen 2.922 N/A PHE 244.A N PHE 200.A O no hydrogen 2.898 N/A LEU 245.A N HIS 299.A O no hydrogen 2.760 N/A ASN 246.A N VAL 202.A O no hydrogen 2.611 N/A ASN 246.A ND2 SER 14.A O no hydrogen 3.105 N/A LYS 247.A NZ GLU 13.A O no hydrogen 2.709 N/A LYS 248.A N THR 301.A O no hydrogen 3.408 N/A PHE 251.A N LYS 247.A O no hydrogen 3.147 N/A GLU 252.A N LYS 248.A O no hydrogen 2.926 N/A LYS 254.A N PHE 251.A O no hydrogen 2.684 N/A LYS 254.A NZ SER 205.A O no hydrogen 2.573 N/A ILE 255.A N PHE 251.A O no hydrogen 2.975 N/A SER 258.A N LYS 254.A O no hydrogen 3.251 N/A CYS 263.A N LEU 260.A O no hydrogen 3.212 N/A CYS 263.A SG HIS 221.A ND1 no hydrogen 3.703 N/A TYR 264.A N LEU 260.A O no hydrogen 3.359 N/A TYR 267.A N TYR 264.A O no hydrogen 2.730 N/A TYR 267.A OH SER 270.A O no hydrogen 2.467 N/A SER 270.A N GLU 275.A OE2 no hydrogen 3.112 N/A SER 270.A OG THR 272.A OG1 no hydrogen 3.184 N/A SER 270.A OG GLU 275.A OE1 no hydrogen 2.716 N/A THR 272.A OG1 SER 270.A OG no hydrogen 3.184 N/A ALA 276.A N THR 272.A O no hydrogen 2.859 N/A ALA 277.A N TYR 273.A O no hydrogen 3.003 N/A ALA 278.A N GLU 274.A O no hydrogen 3.250 N/A TYR 279.A N GLU 275.A O no hydrogen 3.275 N/A TYR 279.A N ALA 276.A O no hydrogen 2.911 N/A ILE 280.A N ALA 276.A O no hydrogen 2.998 N/A GLN 281.A N ALA 277.A O no hydrogen 3.192 N/A GLN 281.A NE2 GLU 285.A OE2 no hydrogen 2.702 N/A CYS 282.A N TYR 279.A O no hydrogen 3.147 N/A GLN 283.A N TYR 279.A O no hydrogen 3.055 N/A GLN 283.A NE2 TYR 279.A O no hydrogen 3.403 N/A PHE 284.A N ILE 280.A O no hydrogen 3.233 N/A GLU 285.A N GLN 281.A O no hydrogen 3.185 N/A ASP 286.A N CYS 282.A O no hydrogen 3.125 N/A LEU 287.A N PHE 284.A O no hydrogen 2.725 N/A ASN 288.A N GLU 285.A O no hydrogen 3.303 N/A ASN 288.A ND2 LYS 294.A O no hydrogen 3.594 N/A LYS 289.A NZ ASP 228.A OD2 no hydrogen 3.420 N/A ARG 290.A N ASN 288.A OD1 no hydrogen 3.017 N/A LYS 294.A NZ PHE 236.A O no hydrogen 2.668 N/A LYS 294.A NZ THR 237.A O no hydrogen 2.724 N/A LYS 294.A NZ THR 239.A O no hydrogen 2.924 N/A TYR 297.A N ILE 241.A O no hydrogen 3.252 N/A HIS 299.A N LEU 243.A O no hydrogen 2.932 N/A THR 301.A N LEU 245.A O no hydrogen 3.162 N/A THR 301.A OG1 ASN 246.A OD1 no hydrogen 3.442 N/A CYS 302.A SG THR 304.A OG1 no hydrogen 3.715 N/A ALA 303.A N ASN 246.A OD1 no hydrogen 2.922 N/A ASP 305.A N CYS 302.A O no hydrogen 2.739 N/A THR 306.A OG1 GLN 22.A OE1 no hydrogen 3.060 N/A ASN 308.A N ASP 305.A OD1 no hydrogen 2.907 N/A VAL 309.A N ASP 305.A O no hydrogen 3.135 N/A GLN 310.A N THR 306.A O no hydrogen 2.881 N/A PHE 311.A N LYS 307.A O no hydrogen 3.097 N/A VAL 312.A N ASN 308.A O no hydrogen 2.960 N/A PHE 313.A N VAL 309.A O no hydrogen 3.020 N/A ASP 314.A N PHE 311.A O no hydrogen 3.182 N/A ALA 315.A N PHE 311.A O no hydrogen 3.347 N/A ALA 315.A N VAL 312.A O no hydrogen 3.256 N/A VAL 316.A N VAL 312.A O no hydrogen 3.135 N/A VAL 316.A N PHE 313.A O no hydrogen 3.294 N/A THR 317.A N PHE 313.A O no hydrogen 3.045 N/A THR 317.A OG1 PHE 313.A O no hydrogen 2.946 N/A ASP 318.A N ASP 314.A O no hydrogen 3.364 N/A ILE 320.A N VAL 316.A O no hydrogen 3.110 N/A ILE 321.A N THR 317.A O no hydrogen 3.087 N/A LYS 322.A N ASP 318.A O no hydrogen 3.269 N/A ASN 323.A N VAL 319.A O no hydrogen 3.077 N/A ASN 323.A ND2 TYR 297.A OH no hydrogen 2.584 N/A ASN 324.A N ILE 321.A O no hydrogen 3.250 N/A ASN 324.A ND2 ILE 320.A O no hydrogen 3.242 N/A LEU 325.A N ILE 321.A O no hydrogen 2.997 N/A