Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hss_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 17.A O no hydrogen 2.951 N/A GLY 6.A N ILE 15.A O no hydrogen 2.818 N/A ALA 7.A N ASP 81.A OD1 no hydrogen 2.732 N/A ASP 9.A N ARG 13.A O no hydrogen 2.888 N/A GLU 11.A N ASP 9.A OD1 no hydrogen 2.903 N/A PHE 12.A N ASP 9.A O no hydrogen 2.820 N/A ARG 13.A N ASP 9.A OD1 no hydrogen 2.998 N/A ARG 13.A NE ASP 9.A OD2 no hydrogen 2.898 N/A ARG 13.A NH2 ASP 9.A OD2 no hydrogen 3.128 N/A LEU 17.A N PHE 4.A O no hydrogen 2.899 N/A TYR 19.A N LEU 2.A O no hydrogen 2.995 N/A ASP 20.A N THR 58.A O no hydrogen 2.840 N/A ASN 22.A N CYS 56.A O no hydrogen 3.026 N/A ASN 22.A ND2 ASP 20.A OD1 no hydrogen 3.170 N/A ASP 26.A N GLY 53.A O no hydrogen 3.309 N/A VAL 28.A N ARG 55.A O no hydrogen 2.738 N/A VAL 29.A N ARG 95.A O no hydrogen 2.908 N/A PHE 30.A N ILE 57.A O no hydrogen 2.944 N/A ILE 31.A N VAL 97.A O no hydrogen 2.701 N/A ARG 34.A NE LEU 193.A O no hydrogen 2.982 N/A ARG 34.A NH1 GLU 140.A OE1 no hydrogen 3.245 N/A ARG 34.A NH2 GLU 140.A OE1 no hydrogen 3.399 N/A ARG 34.A NH2 LEU 193.A O no hydrogen 3.409 N/A GLY 35.A N GLN 196.A OE1 no hydrogen 2.874 N/A GLY 36.A N GLY 33.A O no hydrogen 2.878 N/A GLY 38.A N ASP 60.A OD1 no hydrogen 2.963 N/A THR 40.A N ALA 37.A O no hydrogen 3.040 N/A THR 40.A OG1 ALA 37.A O no hydrogen 2.715 N/A TRP 41.A N GLY 38.A O no hydrogen 3.158 N/A HIS 42.A N ARG 39.A O no hydrogen 3.043 N/A HIS 42.A NE2 THR 58.A OG1 no hydrogen 2.882 N/A GLN 45.A N TRP 41.A O no hydrogen 3.058 N/A GLN 45.A NE2 PHE 255.A O no hydrogen 3.041 N/A GLN 45.A NE2 ASN 263.A OD1 no hydrogen 2.947 N/A VAL 46.A N TRP 41.A O no hydrogen 2.938 N/A PHE 49.A N GLN 45.A O no hydrogen 3.022 N/A LEU 50.A N VAL 46.A O no hydrogen 2.895 N/A ALA 51.A N PRO 47.A O no hydrogen 3.014 N/A ALA 52.A N ALA 48.A O no hydrogen 3.049 N/A GLY 53.A N LEU 50.A O no hydrogen 3.041 N/A TYR 54.A N PHE 49.A O no hydrogen 2.948 N/A ARG 55.A N ASP 26.A O no hydrogen 2.810 N/A ARG 55.A NE ASP 21.A OD1 no hydrogen 2.779 N/A ARG 55.A NH2 ASP 21.A OD2 no hydrogen 2.727 N/A CYS 56.A N ASN 22.A O no hydrogen 2.810 N/A ILE 57.A N VAL 28.A O no hydrogen 2.859 N/A THR 58.A N ASP 20.A O no hydrogen 3.093 N/A THR 58.A OG1 HIS 42.A NE2 no hydrogen 2.882 N/A ASP 60.A N ALA 18.A O no hydrogen 2.927 N/A ASN 61.A ND2 ALA 32.A O no hydrogen 2.931 N/A ARG 62.A NE ASP 81.A OD2 no hydrogen 2.786 N/A ARG 62.A NH2 ALA 7.A O no hydrogen 2.975 N/A ARG 62.A NH2 ASP 81.A OD1 no hydrogen 2.760 N/A ARG 62.A NH2 ASP 81.A OD2 no hydrogen 3.458 N/A GLY 63.A N THR 67.A OG1 no hydrogen 2.963 N/A ILE 64.A N ASN 61.A O no hydrogen 2.971 N/A THR 67.A N ILE 64.A O no hydrogen 3.097 N/A THR 67.A OG1 ILE 64.A O no hydrogen 3.407 N/A GLU 68.A N GLY 65.A O no hydrogen 2.979 N/A ALA 70.A N THR 67.A O no hydrogen 2.941 N/A THR 74.A N THR 77.A OG1 no hydrogen 2.859 N/A THR 74.A OG1 THR 77.A OG1 no hydrogen 3.203 N/A THR 77.A N THR 74.A OG1 no hydrogen 3.187 N/A THR 77.A OG1 THR 74.A O no hydrogen 3.433 N/A THR 77.A OG1 THR 74.A OG1 no hydrogen 3.203 N/A MET 78.A N THR 74.A O no hydrogen 3.238 N/A VAL 79.A N THR 75.A O no hydrogen 2.931 N/A ALA 80.A N GLN 76.A O no hydrogen 3.049 N/A ASP 81.A N THR 77.A O no hydrogen 2.877 N/A THR 82.A N MET 78.A O no hydrogen 3.012 N/A THR 82.A OG1 MET 78.A O no hydrogen 2.874 N/A ALA 83.A N VAL 79.A O no hydrogen 2.895 N/A ALA 84.A N ALA 80.A O no hydrogen 2.847 N/A LEU 85.A N ASP 81.A O no hydrogen 2.925 N/A ILE 86.A N THR 82.A O no hydrogen 3.076 N/A GLU 87.A N ALA 83.A O no hydrogen 2.823 N/A THR 88.A N ALA 84.A O no hydrogen 2.826 N/A THR 88.A OG1 ALA 84.A O no hydrogen 2.593 N/A LEU 89.A N LEU 85.A O no hydrogen 3.088 N/A ASP 90.A N GLU 87.A O no hydrogen 3.119 N/A ILE 91.A N ILE 86.A O no hydrogen 3.279 N/A ALA 94.A N LEU 116.A O no hydrogen 2.752 N/A ARG 95.A NH2 PHE 270.A O no hydrogen 3.152 N/A VAL 96.A N SER 119.A O no hydrogen 2.972 N/A VAL 97.A N VAL 29.A O no hydrogen 2.885 N/A GLY 98.A N VAL 121.A O no hydrogen 2.993 N/A VAL 99.A N ILE 31.A O no hydrogen 3.211 N/A SER 100.A N MET 123.A O no hydrogen 2.928 N/A SER 100.A OG.A ALA 124.A O no hydrogen 3.052 N/A SER 100.A OG.B HIS 252.A NE2 no hydrogen 3.210 N/A GLY 102.A N VAL 99.A O no hydrogen 2.811 N/A PHE 104.A N SER 100.A O no hydrogen 2.953 N/A ILE 105.A N MET 101.A O no hydrogen 2.917 N/A ALA 106.A N GLY 102.A O no hydrogen 2.908 N/A GLN 107.A N ALA 103.A O no hydrogen 2.923 N/A GLN 107.A NE2 ARG 126.A O no hydrogen 3.127 N/A GLN 107.A NE2 TYR 209.A OH no hydrogen 2.933 N/A GLU 108.A N PHE 104.A O no hydrogen 3.020 N/A LEU 109.A N ILE 105.A O no hydrogen 2.791 N/A MET 110.A N ALA 106.A O no hydrogen 2.957 N/A VAL 111.A N GLN 107.A O no hydrogen 3.004 N/A VAL 112.A N GLU 108.A O no hydrogen 3.202 N/A ALA 113.A N LEU 109.A O no hydrogen 2.771 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.844 N/A LEU 116.A N ALA 113.A O no hydrogen 2.938 N/A VAL 117.A N PRO 114.A O no hydrogen 3.194 N/A SER 118.A N ALA 94.A O no hydrogen 2.858 N/A ALA 120.A N PRO 215.A O no hydrogen 3.247 N/A VAL 121.A N VAL 96.A O no hydrogen 2.883 N/A LEU 122.A N LEU 217.A O no hydrogen 2.789 N/A MET 123.A N GLY 98.A O no hydrogen 2.816 N/A ALA 124.A N ILE 219.A O no hydrogen 2.907 N/A THR 125.A OG1 GLN 107.A OE1 no hydrogen 2.529 N/A THR 125.A OG1 ARG 126.A O no hydrogen 3.487 N/A ARG 126.A N THR 125.A OG1 no hydrogen 2.723 N/A ARG 128.A NE GLU 234.A OE1 no hydrogen 2.733 N/A ARG 128.A NH2 GLU 234.A OE1 no hydrogen 3.489 N/A ARG 128.A NH2 GLU 234.A OE2 no hydrogen 2.828 N/A ARG 133.A N ASP 130.A OD1 no hydrogen 2.987 N/A ARG 133.A NE ASP 130.A OD1 no hydrogen 2.850 N/A ARG 133.A NH1 VAL 225.A O no hydrogen 2.855 N/A ARG 133.A NH2 ASP 130.A OD2 no hydrogen 2.866 N/A GLN 134.A N ASP 130.A O no hydrogen 2.903 N/A PHE 135.A N ARG 131.A O no hydrogen 3.016 N/A PHE 136.A N ALA 132.A O no hydrogen 2.914 N/A ASN 137.A N ARG 133.A O no hydrogen 3.163 N/A LYS 138.A N GLN 134.A O no hydrogen 3.036 N/A ALA 139.A N PHE 135.A O no hydrogen 2.841 N/A GLU 140.A N PHE 136.A O no hydrogen 3.027 N/A ALA 141.A N ASN 137.A O no hydrogen 3.052 N/A GLU 142.A N LYS 138.A O no hydrogen 2.922 N/A LEU 143.A N ALA 139.A O no hydrogen 2.942 N/A TYR 144.A N GLU 140.A O no hydrogen 3.114 N/A ASP 145.A N ALA 141.A O no hydrogen 2.792 N/A SER 146.A N GLU 142.A O no hydrogen 2.843 N/A SER 146.A OG LEU 143.A O no hydrogen 2.737 N/A GLY 147.A N TYR 144.A O no hydrogen 3.010 N/A VAL 148.A N SER 146.A OG no hydrogen 2.896 N/A ASP 155.A N PRO 151.A O no hydrogen 2.914 N/A ALA 156.A N PRO 152.A O no hydrogen 2.986 N/A ARG 157.A N THR 153.A O no hydrogen 2.982 N/A ALA 158.A N TYR 154.A O no hydrogen 2.985 N/A ARG 159.A N ASP 155.A O no hydrogen 2.957 N/A ARG 159.A NH1 TRP 185.A O no hydrogen 3.021 N/A ARG 159.A NH2 TRP 185.A O no hydrogen 2.823 N/A LEU 160.A N ALA 156.A O no hydrogen 3.009 N/A LEU 161.A N ARG 157.A O no hydrogen 2.936 N/A GLU 162.A N ALA 158.A O no hydrogen 3.032 N/A ASN 163.A N LEU 160.A O no hydrogen 3.269 N/A ASN 163.A ND2 ARG 159.A O no hydrogen 2.743 N/A PHE 164.A N LEU 160.A O no hydrogen 3.276 N/A SER 165.A N GLU 257.A OE1 no hydrogen 2.963 N/A SER 165.A OG THR 168.A OG1 no hydrogen 3.278 N/A SER 165.A OG ASP 249.A O no hydrogen 3.243 N/A SER 165.A OG GLU 257.A OE1 no hydrogen 2.698 N/A ARG 166.A N ASP 223.A OD2 no hydrogen 2.871 N/A THR 168.A N SER 165.A OG no hydrogen 3.103 N/A THR 168.A OG1 SER 165.A OG no hydrogen 3.278 N/A THR 168.A OG1 GLU 257.A OE1 no hydrogen 2.556 N/A LEU 169.A N SER 165.A O no hydrogen 2.955 N/A ASN 170.A N ARG 166.A O no hydrogen 2.984 N/A ASP 171.A N THR 168.A O no hydrogen 2.962 N/A ALA 174.A N ASP 171.A OD1 no hydrogen 3.057 N/A VAL 175.A N ASP 171.A O no hydrogen 2.902 N/A GLY 176.A N ASP 172.A O no hydrogen 3.113 N/A ASP 177.A N VAL 173.A O no hydrogen 3.045 N/A TRP 178.A N ALA 174.A O no hydrogen 2.909 N/A ILE 179.A N VAL 175.A O no hydrogen 2.977 N/A ALA 180.A N GLY 176.A O no hydrogen 3.072 N/A MET 181.A N ASP 177.A O no hydrogen 3.065 N/A PHE 182.A N TRP 178.A O no hydrogen 2.881 N/A SER 183.A N ALA 180.A O no hydrogen 3.081 N/A SER 183.A OG ILE 179.A O no hydrogen 3.446 N/A TRP 185.A N MET 181.A O no hydrogen 2.998 N/A TRP 185.A N PHE 182.A O no hydrogen 3.141 N/A LYS 188.A NZ GLU 68.A OE2 no hydrogen 2.937 N/A THR 190.A OG1 GLU 68.A O no hydrogen 3.490 N/A GLY 192.A N GLU 68.A O no hydrogen 2.861 N/A LEU 193.A N THR 190.A OG1 no hydrogen 2.921 N/A ARG 194.A N THR 190.A O no hydrogen 3.040 N/A ARG 194.A NE ASP 145.A OD1 no hydrogen 2.826 N/A ARG 194.A NH1 ARG 194.A O no hydrogen 3.146 N/A ARG 194.A NH1 ASP 198.A OD2 no hydrogen 2.911 N/A ARG 194.A NH2 ASP 145.A OD2 no hydrogen 3.022 N/A CYS 195.A N PRO 191.A O no hydrogen 2.872 N/A CYS 195.A SG PHE 73.A O no hydrogen 3.157 N/A GLN 196.A N GLY 192.A O no hydrogen 2.999 N/A GLN 196.A NE2 ARG 62.A O no hydrogen 2.895 N/A LEU 197.A N ARG 194.A O no hydrogen 3.190 N/A ASP 198.A N CYS 195.A O no hydrogen 3.042 N/A CYS 199.A N GLN 196.A O no hydrogen 3.011 N/A CYS 199.A SG CYS 195.A O no hydrogen 3.724 N/A GLN 202.A NE2 ASP 198.A O no hydrogen 3.006 N/A GLN 202.A NE2 ALA 200.A O no hydrogen 3.396 N/A ARG 205.A N GLY 127.A O no hydrogen 2.746 N/A ARG 205.A NE GLU 108.A OE1 no hydrogen 3.327 N/A ARG 205.A NE GLU 108.A OE2 no hydrogen 2.787 N/A ARG 205.A NH2 GLU 108.A OE1 no hydrogen 2.857 N/A LEU 206.A N ASN 204.A OD1 no hydrogen 3.046 N/A TYR 209.A N ARG 205.A O no hydrogen 3.244 N/A TYR 209.A N LEU 206.A O no hydrogen 3.103 N/A TYR 209.A OH GLU 108.A OE2 no hydrogen 2.799 N/A ARG 210.A N PRO 207.A O no hydrogen 3.202 N/A ASN 211.A N ALA 208.A O no hydrogen 3.342 N/A ILE 212.A N TYR 209.A O no hydrogen 3.090 N/A VAL 216.A N ASN 241.A O no hydrogen 3.101 N/A LEU 217.A N ALA 120.A O no hydrogen 2.939 N/A VAL 218.A N ARG 243.A O no hydrogen 2.885 N/A ILE 219.A N LEU 122.A O no hydrogen 2.851 N/A GLY 220.A N LEU 245.A O no hydrogen 2.823 N/A ALA 222.A N ILE 247.A O no hydrogen 3.099 N/A ASP 223.A N ALA 250.A O no hydrogen 2.863 N/A ASP 224.A N PHE 221.A O no hydrogen 3.013 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 2.882 N/A THR 227.A N ASP 224.A OD1 no hydrogen 2.819 N/A THR 227.A OG1 ALA 124.A O no hydrogen 3.055 N/A THR 227.A OG1 ASP 224.A OD2 no hydrogen 2.860 N/A THR 227.A OG1 HIS 252.A ND1 no hydrogen 3.385 N/A TYR 230.A OH ASP 130.A OD2 no hydrogen 2.440 N/A LEU 231.A N PRO 228.A O no hydrogen 3.054 N/A ARG 233.A N.A PRO 229.A O no hydrogen 2.968 N/A ARG 233.A N.B PRO 229.A O no hydrogen 2.988 N/A GLU 234.A N TYR 230.A O no hydrogen 3.043 N/A VAL 235.A N LEU 231.A O no hydrogen 3.393 N/A ALA 236.A N GLY 232.A O no hydrogen 3.058 N/A ASP 237.A N ARG 233.A O.A no hydrogen 2.851 N/A ASP 237.A N ARG 233.A O.B no hydrogen 2.876 N/A ALA 238.A N GLU 234.A O no hydrogen 3.034 N/A LEU 239.A N VAL 235.A O no hydrogen 2.995 N/A ASN 241.A ND2 ALA 213.A O no hydrogen 2.757 N/A GLY 242.A N LEU 239.A O no hydrogen 3.082 N/A ARG 243.A N VAL 216.A O no hydrogen 3.085 N/A TYR 244.A OH GLN 246.A OE1 no hydrogen 2.692 N/A LEU 245.A N VAL 218.A O no hydrogen 2.884 N/A ILE 247.A N GLY 220.A O no hydrogen 2.883 N/A GLY 251.A N GLU 257.A OE2 no hydrogen 2.819 N/A HIS 252.A ND1 ASP 224.A OD2 no hydrogen 2.801 N/A LEU 253.A N ASN 163.A O no hydrogen 3.151 N/A PHE 256.A N LEU 253.A O no hydrogen 2.960 N/A GLU 257.A N LEU 253.A O no hydrogen 2.879 N/A ARG 258.A N GLY 254.A O no hydrogen 2.676 N/A ARG 258.A NE ASP 249.A O no hydrogen 2.673 N/A ARG 258.A NH1 SER 165.A OG no hydrogen 3.150 N/A ARG 258.A NH1 ASP 249.A O no hydrogen 3.151 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.821 N/A VAL 262.A N ARG 258.A O no hydrogen 3.210 N/A ASN 263.A N PRO 259.A O no hydrogen 2.815 N/A ASN 263.A ND2 HIS 44.A O no hydrogen 2.803 N/A THR 264.A N GLU 260.A O no hydrogen 2.919 N/A THR 264.A OG1 GLU 260.A O no hydrogen 2.805 N/A ALA 265.A N ALA 261.A O no hydrogen 3.211 N/A MET 266.A N VAL 262.A O no hydrogen 2.976 N/A LEU 267.A N ASN 263.A O no hydrogen 2.923 N/A LYS 268.A N THR 264.A O no hydrogen 2.974 N/A PHE 269.A N ALA 265.A O no hydrogen 3.016 N/A PHE 270.A N MET 266.A O no hydrogen 2.853 N/A ALA 271.A N LEU 267.A O no hydrogen 3.113 N/A SER 272.A N PHE 269.A O no hydrogen 3.133 N/A