Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sh9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 1.A OD2 no hydrogen 3.315 N/A ALA 4.A N ASP 1.A OD1 no hydrogen 2.813 N/A LYS 5.A N ASP 1.A O no hydrogen 3.211 N/A LEU 6.A N ASP 2.A O no hydrogen 3.164 N/A GLU 7.A N PHE 3.A O no hydrogen 3.140 N/A GLU 8.A N ALA 4.A O no hydrogen 3.155 N/A GLN 9.A N LYS 5.A O no hydrogen 2.760 N/A PHE 10.A N LEU 6.A O no hydrogen 2.873 N/A ASP 11.A N GLU 8.A O no hydrogen 3.386 N/A ALA 12.A N GLU 7.A O no hydrogen 2.974 N/A LYS 13.A N SER 229.A O no hydrogen 2.703 N/A LYS 13.A NZ GLU 33.A OE2 no hydrogen 2.960 N/A LEU 14.A N GLU 7.A OE2 no hydrogen 2.871 N/A GLY 15.A N LEU 227.A O no hydrogen 2.741 N/A ILE 16.A N TYR 29.A O no hydrogen 2.669 N/A PHE 17.A N ALA 225.A O no hydrogen 3.134 N/A ALA 18.A N VAL 27.A O no hydrogen 2.781 N/A LEU 19.A N VAL 223.A O no hydrogen 2.806 N/A ASP 20.A N ARG 25.A O no hydrogen 2.950 N/A THR 21.A N PRO 221.A O no hydrogen 3.014 N/A THR 21.A OG1 PRO 221.A O no hydrogen 2.733 N/A GLY 22.A N ASP 20.A OD1 no hydrogen 3.001 N/A THR 23.A OG1 ASP 20.A OD2 no hydrogen 2.575 N/A ASN 24.A N ASP 20.A O no hydrogen 2.765 N/A ARG 25.A N THR 23.A OG1 no hydrogen 3.147 N/A VAL 27.A N ALA 18.A O no hydrogen 2.895 N/A TYR 29.A N ILE 16.A O no hydrogen 3.006 N/A TYR 29.A OH GLU 7.A OE1 no hydrogen 2.633 N/A ARG 30.A NE GLU 7.A OE2 no hydrogen 2.882 N/A ARG 30.A NH2 GLU 7.A OE1 no hydrogen 3.142 N/A ARG 30.A NH2 GLU 7.A OE2 no hydrogen 3.438 N/A GLU 33.A N ARG 30.A O no hydrogen 3.185 N/A ARG 34.A NH1 VAL 126.A O no hydrogen 2.900 N/A ARG 34.A NH1 THR 145.A OG1 no hydrogen 2.869 N/A ARG 34.A NH2 VAL 126.A O no hydrogen 2.838 N/A PHE 35.A N SER 146.A O no hydrogen 3.022 N/A PHE 37.A N ASP 144.A O no hydrogen 3.199 N/A SER 39.A OG SER 97.A OG no hydrogen 3.033 N/A THR 40.A N PHE 37.A O no hydrogen 3.266 N/A THR 40.A OG1 PHE 37.A O no hydrogen 2.690 N/A ILE 41.A N ALA 38.A O no hydrogen 3.366 N/A LYS 42.A N SER 39.A O no hydrogen 3.008 N/A LYS 42.A NZ SER 39.A OG no hydrogen 3.212 N/A LYS 42.A NZ SER 97.A OG no hydrogen 2.811 N/A LYS 42.A NZ ASN 99.A OD1 no hydrogen 2.706 N/A ALA 43.A N THR 40.A O no hydrogen 3.225 N/A THR 45.A N ILE 41.A O no hydrogen 2.853 N/A THR 45.A OG1 ILE 41.A O no hydrogen 2.841 N/A VAL 46.A N LYS 42.A O no hydrogen 3.011 N/A GLY 47.A N ALA 43.A O no hydrogen 3.009 N/A VAL 48.A N LEU 44.A O no hydrogen 2.987 N/A LEU 49.A N THR 45.A O no hydrogen 2.806 N/A LEU 50.A N VAL 46.A O no hydrogen 2.743 N/A GLN 51.A N GLY 47.A O no hydrogen 3.070 N/A GLN 52.A N VAL 48.A O no hydrogen 3.078 N/A GLN 52.A N LEU 49.A O no hydrogen 3.050 N/A LYS 53.A N LEU 49.A O no hydrogen 3.131 N/A ASP 57.A N SER 54.A OG no hydrogen 2.902 N/A LEU 58.A N SER 54.A O no hydrogen 3.322 N/A LEU 58.A N ILE 55.A O no hydrogen 3.018 N/A ASN 59.A N GLU 56.A O no hydrogen 3.040 N/A ASN 59.A ND2 GLU 56.A OE2 no hydrogen 3.113 N/A GLN 60.A N ASP 57.A O no hydrogen 3.096 N/A ARG 61.A NH1 THR 82.A O no hydrogen 3.104 N/A ILE 62.A N MET 84.A O no hydrogen 2.762 N/A TYR 64.A OH THR 76.A O no hydrogen 2.649 N/A THR 65.A N ASP 68.A OD2 no hydrogen 3.022 N/A ASP 68.A N THR 65.A O no hydrogen 2.847 N/A LEU 69.A N ARG 66.A O no hydrogen 3.176 N/A VAL 70.A N ASN 73.A OD1 no hydrogen 2.748 N/A ASN 73.A ND2 VAL 70.A O no hydrogen 2.953 N/A ILE 75.A N ASP 98.A OD2 no hydrogen 2.793 N/A THR 76.A N ASP 98.A OD2 no hydrogen 2.882 N/A THR 76.A OG1 ASP 98.A OD1 no hydrogen 2.767 N/A THR 76.A OG1 ASP 98.A OD2 no hydrogen 3.200 N/A GLU 77.A N ASN 73.A O no hydrogen 3.049 N/A LYS 78.A N ILE 75.A O no hydrogen 2.926 N/A LYS 78.A NZ PRO 74.A O no hydrogen 3.220 N/A HIS 79.A N THR 76.A O no hydrogen 3.176 N/A HIS 79.A ND1 ILE 75.A O no hydrogen 3.215 N/A THR 82.A N HIS 79.A O no hydrogen 3.280 N/A THR 82.A OG1 ASP 81.A OD1 no hydrogen 3.432 N/A THR 82.A OG1 GLY 83.A O no hydrogen 3.008 N/A GLY 83.A N HIS 79.A O no hydrogen 2.807 N/A MET 84.A N ILE 62.A O no hydrogen 2.948 N/A THR 85.A N GLU 88.A OE1 no hydrogen 2.939 N/A LEU 86.A N GLN 60.A O no hydrogen 3.124 N/A LYS 87.A N LEU 58.A O no hydrogen 2.819 N/A GLU 88.A N THR 85.A OG1 no hydrogen 3.291 N/A LEU 89.A N THR 85.A O no hydrogen 2.882 N/A ALA 90.A N LEU 86.A O no hydrogen 2.849 N/A ASP 91.A N LYS 87.A O no hydrogen 2.975 N/A ALA 92.A N GLU 88.A O no hydrogen 2.920 N/A SER 93.A N LEU 89.A O no hydrogen 2.840 N/A LEU 94.A N ALA 90.A O no hydrogen 3.025 N/A ARG 95.A N ASP 91.A O no hydrogen 2.933 N/A ARG 95.A NE ASP 91.A OD1 no hydrogen 3.241 N/A ARG 95.A NE ASP 91.A OD2 no hydrogen 3.133 N/A ARG 95.A NH1 ARG 178.A O no hydrogen 3.306 N/A ARG 95.A NH2 ASP 91.A OD1 no hydrogen 3.162 N/A TYR 96.A N ALA 92.A O no hydrogen 3.216 N/A ASP 98.A N ALA 92.A O no hydrogen 3.140 N/A ASN 99.A N TYR 72.A O no hydrogen 2.974 N/A ASN 99.A ND2 ASN 71.A OD1 no hydrogen 2.652 N/A ALA 101.A N ASP 98.A OD1 no hydrogen 2.966 N/A GLN 102.A N ASP 98.A O no hydrogen 3.234 N/A GLN 102.A NE2 THR 45.A OG1 no hydrogen 3.093 N/A ASN 103.A N ASN 99.A O no hydrogen 3.023 N/A LEU 104.A N ALA 100.A O no hydrogen 2.924 N/A ILE 105.A N ALA 101.A O no hydrogen 2.958 N/A LEU 106.A N GLN 102.A O no hydrogen 2.863 N/A LYS 107.A N ASN 103.A O no hydrogen 2.944 N/A GLN 108.A N LEU 104.A O no hydrogen 3.139 N/A ILE 109.A N ILE 105.A O no hydrogen 3.040 N/A ILE 109.A N LEU 106.A O no hydrogen 3.133 N/A GLY 110.A N LYS 107.A O no hydrogen 3.308 N/A GLY 111.A N LEU 106.A O no hydrogen 2.715 N/A SER 114.A OG ILE 109.A O no hydrogen 2.360 N/A LEU 115.A N GLY 111.A O no hydrogen 2.875 N/A LYS 116.A N PRO 112.A O no hydrogen 2.712 N/A LYS 117.A N GLU 113.A O no hydrogen 3.027 N/A GLU 118.A N SER 114.A O no hydrogen 3.046 N/A LEU 119.A N LEU 115.A O no hydrogen 2.995 N/A ARG 120.A N LYS 116.A O no hydrogen 2.958 N/A ARG 120.A NH1 ASP 124.A O no hydrogen 2.847 N/A ARG 120.A NH1 THR 127.A O no hydrogen 2.723 N/A ARG 120.A NH2 THR 127.A O no hydrogen 3.281 N/A ARG 120.A NH2 ASN 128.A OD1 no hydrogen 2.804 N/A LYS 121.A N LYS 117.A O no hydrogen 3.123 N/A LYS 121.A NZ GLU 118.A OE1 no hydrogen 2.994 N/A ILE 122.A N LEU 119.A O no hydrogen 3.002 N/A GLY 123.A N ARG 120.A O no hydrogen 3.051 N/A ASP 124.A N LEU 119.A O no hydrogen 3.110 N/A VAL 126.A N ASP 124.A OD1 no hydrogen 2.956 N/A THR 127.A N ASP 124.A OD1 no hydrogen 3.076 N/A THR 127.A OG1 ASP 124.A OD1 no hydrogen 3.356 N/A THR 127.A OG1 ASP 124.A OD2 no hydrogen 2.630 N/A THR 127.A OG1 SER 146.A OG no hydrogen 2.680 N/A ASN 128.A N THR 145.A O no hydrogen 3.014 N/A GLU 130.A N ASP 144.A OD1 no hydrogen 2.960 N/A ARG 131.A N ASP 144.A OD1 no hydrogen 3.386 N/A ASN 135.A ND2 CYS 133.A O no hydrogen 2.757 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.698 N/A ASP 144.A N ASN 128.A O no hydrogen 2.747 N/A THR 145.A OG1 THR 142.A O no hydrogen 2.599 N/A SER 146.A N PHE 35.A O no hydrogen 3.055 N/A SER 146.A OG THR 127.A OG1 no hydrogen 2.680 N/A THR 147.A N SER 146.A OG no hydrogen 2.737 N/A ARG 149.A N PRO 31.A O no hydrogen 2.998 N/A ARG 149.A NE ASP 32.A OD1 no hydrogen 2.712 N/A ARG 149.A NE ASP 32.A OD2 no hydrogen 3.515 N/A ARG 149.A NH2 ASP 32.A OD2 no hydrogen 3.052 N/A ALA 150.A N THR 147.A OG1 no hydrogen 3.155 N/A LEU 151.A N THR 147.A O no hydrogen 2.929 N/A VAL 152.A N ALA 148.A O no hydrogen 3.087 N/A THR 153.A N ARG 149.A O no hydrogen 2.988 N/A THR 153.A OG1 ARG 149.A O no hydrogen 2.785 N/A SER 154.A N ALA 150.A O no hydrogen 2.858 N/A SER 154.A OG ASP 124.A OD2 no hydrogen 2.621 N/A SER 154.A OG ALA 150.A O no hydrogen 3.143 N/A LEU 155.A N LEU 151.A O no hydrogen 2.822 N/A ARG 156.A N VAL 152.A O no hydrogen 2.874 N/A ALA 157.A N THR 153.A O no hydrogen 3.045 N/A PHE 158.A N SER 154.A O no hydrogen 3.227 N/A ALA 159.A N LEU 155.A O no hydrogen 2.856 N/A LEU 160.A N ARG 156.A O no hydrogen 2.820 N/A GLU 161.A N ARG 156.A O no hydrogen 2.940 N/A LYS 163.A N ALA 157.A O no hydrogen 3.296 N/A LYS 168.A N PRO 165.A O no hydrogen 3.074 N/A LYS 168.A NZ LEU 50.A O no hydrogen 3.235 N/A LYS 168.A NZ LYS 53.A O no hydrogen 2.910 N/A ARG 169.A N PRO 165.A O no hydrogen 2.997 N/A ARG 169.A NE LEU 164.A O no hydrogen 3.326 N/A ARG 169.A NH2 LEU 164.A O no hydrogen 2.660 N/A GLU 170.A N SER 166.A O no hydrogen 2.930 N/A LEU 171.A N GLU 167.A O no hydrogen 3.285 N/A LEU 172.A N LYS 168.A O no hydrogen 3.138 N/A ILE 173.A N ARG 169.A O no hydrogen 3.035 N/A ASP 174.A N GLU 170.A O no hydrogen 2.952 N/A TRP 175.A N LEU 171.A O no hydrogen 2.994 N/A MET 176.A N LEU 172.A O no hydrogen 3.081 N/A LYS 177.A N ILE 173.A O no hydrogen 2.794 N/A ARG 178.A N ASP 174.A O no hydrogen 3.071 N/A ARG 178.A N TRP 175.A O no hydrogen 3.222 N/A ARG 178.A NE ASP 174.A OD1 no hydrogen 3.112 N/A ARG 178.A NE ASP 174.A OD2 no hydrogen 3.211 N/A ARG 178.A NH2 ASP 174.A OD2 no hydrogen 2.943 N/A ASN 179.A N MET 176.A O no hydrogen 3.162 N/A ASN 179.A ND2 THR 181.A OG1 no hydrogen 3.046 N/A ASN 179.A ND2 ASP 198.A OD1 no hydrogen 2.976 N/A ASN 179.A ND2 ASP 198.A OD2 no hydrogen 3.221 N/A THR 180.A N ARG 95.A O no hydrogen 2.925 N/A THR 180.A OG1 ARG 95.A O no hydrogen 2.623 N/A THR 181.A N ASN 179.A OD1 no hydrogen 3.120 N/A THR 181.A OG1 ASN 179.A OD1 no hydrogen 3.089 N/A THR 181.A OG1 THR 200.A OG1 no hydrogen 2.637 N/A LEU 185.A N GLY 182.A O no hydrogen 3.204 N/A ILE 186.A N ASP 210.A OD2 no hydrogen 3.032 N/A ARG 187.A NE ASP 198.A OD1 no hydrogen 2.972 N/A ARG 187.A NH1 LYS 177.A O no hydrogen 3.418 N/A ARG 187.A NH2 LYS 177.A O no hydrogen 3.052 N/A ARG 187.A NH2 ASP 198.A OD1 no hydrogen 3.013 N/A ALA 188.A N LEU 185.A O no hydrogen 2.892 N/A GLY 189.A N ILE 186.A O no hydrogen 2.974 N/A TRP 194.A N PRO 191.A O no hydrogen 3.321 N/A ALA 197.A N ILE 213.A O no hydrogen 2.803 N/A ASP 198.A N MET 176.A O no hydrogen 3.142 N/A LYS 199.A N ILE 211.A O no hydrogen 2.915 N/A LYS 199.A NZ SER 97.A OG no hydrogen 2.901 N/A LYS 199.A NZ THR 200.A O no hydrogen 2.831 N/A LYS 199.A NZ THR 200.A OG1 no hydrogen 3.406 N/A THR 200.A OG1 THR 181.A OG1 no hydrogen 2.637 N/A GLY 201.A N ASN 209.A O no hydrogen 2.894 N/A ALA 203.A N THR 207.A O no hydrogen 2.934 N/A TYR 205.A N LYS 233.A O no hydrogen 2.902 N/A THR 207.A N ALA 203.A O no hydrogen 3.116 N/A THR 207.A OG1 SER 204.A O no hydrogen 3.254 N/A ARG 208.A N SER 228.A O no hydrogen 3.069 N/A ARG 208.A NE ASP 239.A OD1 no hydrogen 2.896 N/A ARG 208.A NH1 GLY 201.A O no hydrogen 3.173 N/A ARG 208.A NH2 ASP 239.A OD1 no hydrogen 3.166 N/A ASN 209.A N GLY 201.A O no hydrogen 3.050 N/A ASN 209.A ND2 ALA 36.A O no hydrogen 2.875 N/A ASN 209.A ND2 PHE 37.A O no hydrogen 3.016 N/A ASP 210.A N VAL 226.A O no hydrogen 2.920 N/A ILE 211.A N LYS 199.A O no hydrogen 3.002 N/A ALA 212.A N LEU 224.A O no hydrogen 2.879 N/A ILE 213.A N ALA 197.A O no hydrogen 2.735 N/A ILE 214.A N VAL 222.A O no hydrogen 2.783 N/A TRP 215.A N GLU 195.A O no hydrogen 3.006 N/A VAL 222.A N ILE 214.A O no hydrogen 2.783 N/A VAL 223.A N LEU 19.A O no hydrogen 2.909 N/A LEU 224.A N ALA 212.A O no hydrogen 2.984 N/A ALA 225.A N PHE 17.A O no hydrogen 2.833 N/A VAL 226.A N ASP 210.A O no hydrogen 2.917 N/A LEU 227.A N GLY 15.A O no hydrogen 2.813 N/A SER 228.A N ASN 209.A OD1 no hydrogen 3.414 N/A SER 228.A OG ARG 208.A O no hydrogen 2.693 N/A SER 229.A N LYS 13.A O no hydrogen 2.949 N/A ARG 230.A N TYR 205.A O no hydrogen 2.725 N/A ARG 230.A NE ASP 11.A O no hydrogen 3.080 N/A ARG 230.A NH1 LYS 236.A O no hydrogen 2.512 N/A ARG 230.A NH2 ASP 11.A OD2 no hydrogen 2.675 N/A LYS 233.A NZ GLU 136.A OE2 no hydrogen 3.189 N/A ALA 235.A N LYS 232.A O no hydrogen 3.054 N/A LYS 236.A NZ ASP 234.A O no hydrogen 3.495 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 3.070 N/A LEU 241.A N ASP 238.A O no hydrogen 2.952 N/A ILE 242.A N ASP 239.A O no hydrogen 2.982 N/A ALA 243.A N ASP 239.A O no hydrogen 3.237 N/A GLU 244.A N LYS 240.A O no hydrogen 2.902 N/A ALA 245.A N LEU 241.A O no hydrogen 2.883 N/A THR 246.A N ILE 242.A O no hydrogen 2.962 N/A THR 246.A OG1 ILE 242.A O no hydrogen 2.747 N/A LYS 247.A N ALA 243.A O no hydrogen 3.065 N/A LYS 247.A NZ GLU 244.A OE2 no hydrogen 3.103 N/A VAL 248.A N GLU 244.A O no hydrogen 3.053 N/A VAL 249.A N ALA 245.A O no hydrogen 3.037 N/A MET 250.A N THR 246.A O no hydrogen 2.894 N/A LYS 251.A N LYS 247.A O no hydrogen 2.912 N/A ALA 252.A N VAL 248.A O no hydrogen 2.981 N/A LEU 253.A N VAL 249.A O no hydrogen 3.024 N/A LEU 253.A N MET 250.A O no hydrogen 3.302 N/A ASN 254.A N MET 250.A O no hydrogen 2.728 N/A