Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uty_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 5.A OE2 no hydrogen 2.911 N/A TRP 6.A N ARG 3.A O no hydrogen 2.914 N/A TRP 8.A N GLU 5.A O no hydrogen 3.091 N/A LEU 9.A N GLU 5.A O no hydrogen 3.328 N/A LEU 9.A N TRP 6.A O no hydrogen 2.974 N/A ALA 10.A N TRP 6.A O no hydrogen 2.760 N/A LEU 11.A N ILE 7.A O no hydrogen 3.121 N/A GLY 12.A N TRP 8.A O no hydrogen 3.089 N/A THR 13.A N LEU 9.A O no hydrogen 2.823 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.702 N/A ALA 14.A N ALA 10.A O no hydrogen 3.400 N/A LEU 15.A N LEU 11.A O no hydrogen 3.233 N/A MET 16.A N GLY 12.A O no hydrogen 3.153 N/A MET 16.A N THR 13.A O no hydrogen 3.270 N/A GLY 17.A N THR 13.A O no hydrogen 2.799 N/A LEU 18.A N ALA 14.A O no hydrogen 3.265 N/A GLY 19.A N LEU 15.A O no hydrogen 3.225 N/A THR 20.A N MET 16.A O no hydrogen 2.981 N/A THR 20.A OG1 MET 16.A O no hydrogen 2.595 N/A LEU 21.A N GLY 17.A O no hydrogen 3.271 N/A TYR 22.A N LEU 18.A O no hydrogen 3.215 N/A PHE 23.A N GLY 19.A O no hydrogen 2.995 N/A LEU 24.A N THR 20.A O no hydrogen 3.019 N/A VAL 25.A N LEU 21.A O no hydrogen 3.188 N/A LYS 26.A N TYR 22.A O no hydrogen 3.142 N/A GLY 27.A N PHE 23.A O no hydrogen 2.649 N/A MET 28.A N LEU 24.A O no hydrogen 3.198 N/A GLY 29.A N LYS 26.A O no hydrogen 3.264 N/A ALA 35.A N ASP 32.A OD2 no hydrogen 2.658 N/A LYS 36.A NZ VAL 30.A O no hydrogen 2.565 N/A LYS 37.A N PRO 33.A O no hydrogen 3.076 N/A LYS 37.A N ASP 34.A O no hydrogen 3.060 N/A PHE 38.A N ALA 35.A O no hydrogen 3.234 N/A TYR 39.A N LYS 36.A O no hydrogen 3.133 N/A ALA 40.A N LYS 36.A O no hydrogen 3.349 N/A ILE 41.A N LYS 37.A O no hydrogen 3.265 N/A THR 43.A N TYR 39.A O no hydrogen 3.101 N/A THR 43.A OG1 TYR 39.A O no hydrogen 2.801 N/A LEU 44.A N ALA 40.A O no hydrogen 2.824 N/A VAL 45.A N ILE 41.A O no hydrogen 2.913 N/A ALA 46.A N ALA 42.A O no hydrogen 3.245 N/A ALA 47.A N THR 43.A O no hydrogen 3.124 N/A ILE 48.A N LEU 44.A O no hydrogen 3.119 N/A PHE 50.A N ALA 46.A O no hydrogen 3.002 N/A THR 51.A N ALA 47.A O no hydrogen 3.105 N/A MET 52.A N ILE 48.A O no hydrogen 3.190 N/A TYR 53.A N ALA 49.A O no hydrogen 2.818 N/A TYR 53.A OH ASP 208.A OD2 no hydrogen 2.637 N/A LEU 54.A N PHE 50.A O no hydrogen 3.094 N/A SER 55.A N THR 51.A O no hydrogen 2.887 N/A MET 56.A N MET 52.A O no hydrogen 3.061 N/A LEU 57.A N TYR 53.A O no hydrogen 2.819 N/A LEU 58.A N LEU 54.A O no hydrogen 3.039 N/A GLY 59.A N MET 56.A O no hydrogen 2.956 N/A TYR 60.A N SER 55.A O no hydrogen 2.991 N/A THR 63.A N ILE 74.A O no hydrogen 2.900 N/A VAL 65.A N ASN 72.A O no hydrogen 2.471 N/A PHE 67.A N GLU 70.A O no hydrogen 3.282 N/A GLU 70.A N PHE 67.A O no hydrogen 3.149 N/A ASN 72.A N VAL 65.A O no hydrogen 2.800 N/A ILE 74.A N THR 63.A O no hydrogen 2.553 N/A TYR 75.A OH GLU 5.A OE2 no hydrogen 2.646 N/A ALA 77.A N GLY 61.A O no hydrogen 3.158 N/A TYR 79.A N TRP 76.A O no hydrogen 2.937 N/A ASP 81.A N ALA 77.A O no hydrogen 3.186 N/A TRP 82.A N ARG 78.A O no hydrogen 2.877 N/A LEU 83.A N TYR 79.A O no hydrogen 2.854 N/A PHE 84.A N ASP 81.A O no hydrogen 3.389 N/A THR 85.A N ASP 81.A O no hydrogen 3.258 N/A THR 85.A OG1 ASP 81.A O no hydrogen 2.852 N/A THR 85.A OG1 ASP 81.A OD1 no hydrogen 3.560 N/A THR 86.A N TRP 82.A O no hydrogen 3.140 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.349 N/A THR 86.A OG1 ASP 111.A OD1 no hydrogen 2.890 N/A LEU 89.A N THR 85.A O no hydrogen 3.147 N/A LEU 90.A N THR 86.A O no hydrogen 3.187 N/A ASP 92.A N LEU 88.A O no hydrogen 2.906 N/A LEU 93.A N LEU 89.A O no hydrogen 3.264 N/A ALA 94.A N LEU 90.A O no hydrogen 2.956 N/A LEU 95.A N LEU 91.A O no hydrogen 2.953 N/A ASP 98.A N LEU 95.A O no hydrogen 3.368 N/A ALA 99.A N ALA 94.A O no hydrogen 2.859 N/A ILE 104.A N ASP 100.A O no hydrogen 3.259 N/A LEU 105.A N GLN 101.A O no hydrogen 3.074 N/A ALA 106.A N GLY 102.A O no hydrogen 3.116 N/A LEU 107.A N THR 103.A O no hydrogen 2.976 N/A VAL 108.A N ILE 104.A O no hydrogen 3.115 N/A GLY 109.A N LEU 105.A O no hydrogen 2.744 N/A ALA 110.A N ALA 106.A O no hydrogen 3.065 N/A ASP 111.A N LEU 107.A O no hydrogen 2.934 N/A GLY 112.A N VAL 108.A O no hydrogen 2.894 N/A ILE 113.A N GLY 109.A O no hydrogen 3.152 N/A MET 114.A N ALA 110.A O no hydrogen 2.889 N/A ILE 115.A N ASP 111.A O no hydrogen 3.338 N/A GLY 116.A N GLY 112.A O no hydrogen 2.878 N/A THR 117.A N ILE 113.A O no hydrogen 3.015 N/A THR 117.A OG1 ILE 113.A O no hydrogen 2.753 N/A THR 117.A OG1 MET 114.A O no hydrogen 3.371 N/A GLY 118.A N MET 114.A O no hydrogen 2.975 N/A LEU 119.A N ILE 115.A O no hydrogen 2.904 N/A VAL 120.A N GLY 116.A O no hydrogen 3.086 N/A GLY 121.A N THR 117.A O no hydrogen 2.850 N/A ALA 122.A N GLY 118.A O no hydrogen 2.975 N/A ALA 122.A N LEU 119.A O no hydrogen 2.980 N/A LEU 123.A N VAL 120.A O no hydrogen 3.040 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.659 N/A TYR 127.A OH GLY 191.A O no hydrogen 2.881 N/A ARG 130.A N VAL 126.A O no hydrogen 3.351 N/A ARG 130.A NE GLU 190.A O no hydrogen 2.850 N/A ARG 130.A NH1 ALA 122.A O no hydrogen 3.195 N/A ARG 130.A NH1 THR 124.A O no hydrogen 2.652 N/A ARG 130.A NH2 ALA 122.A O no hydrogen 2.841 N/A ARG 130.A NH2 GLU 190.A O no hydrogen 3.199 N/A VAL 132.A N TYR 129.A O no hydrogen 2.876 N/A TRP 133.A N TYR 129.A O no hydrogen 3.111 N/A TRP 134.A N ARG 130.A O no hydrogen 2.941 N/A TRP 134.A NE1 PRO 182.A O no hydrogen 3.102 N/A ILE 136.A N VAL 132.A O no hydrogen 3.264 N/A SER 137.A N TRP 133.A O no hydrogen 3.263 N/A SER 137.A OG MET 114.A O no hydrogen 2.495 N/A THR 138.A N TRP 134.A O no hydrogen 2.962 N/A THR 138.A OG1 TRP 134.A O no hydrogen 2.931 N/A ALA 139.A N ALA 135.A O no hydrogen 3.274 N/A ALA 140.A N ILE 136.A O no hydrogen 3.122 N/A MET 141.A N SER 137.A O no hydrogen 2.995 N/A LEU 142.A N THR 138.A O no hydrogen 2.857 N/A TYR 143.A N ALA 139.A O no hydrogen 3.165 N/A ILE 144.A N ALA 140.A O no hydrogen 2.989 N/A LEU 145.A N MET 141.A O no hydrogen 2.900 N/A TYR 146.A N LEU 142.A O no hydrogen 2.815 N/A TYR 146.A N TYR 143.A O no hydrogen 2.955 N/A VAL 147.A N TYR 143.A O no hydrogen 3.016 N/A LEU 148.A N ILE 144.A O no hydrogen 3.248 N/A PHE 149.A N LEU 145.A O no hydrogen 2.924 N/A PHE 150.A N TYR 146.A O no hydrogen 2.608 N/A GLY 151.A N VAL 147.A O no hydrogen 2.451 N/A PHE 152.A N VAL 147.A O no hydrogen 2.979 N/A THR 153.A OG1 LEU 148.A O no hydrogen 3.433 N/A SER 154.A N GLY 151.A O no hydrogen 2.971 N/A LYS 155.A N GLY 151.A O no hydrogen 3.090 N/A LYS 155.A NZ VAL 97.A O no hydrogen 3.197 N/A LYS 155.A NZ ASP 98.A O no hydrogen 3.544 N/A SER 158.A N LYS 155.A O no hydrogen 3.480 N/A SER 158.A OG LYS 155.A O no hydrogen 3.281 N/A MET 159.A N ALA 156.A O no hydrogen 3.347 N/A VAL 163.A N ARG 160.A O no hydrogen 2.799 N/A ALA 164.A N ARG 160.A O no hydrogen 2.905 N/A SER 165.A N PRO 161.A O no hydrogen 2.775 N/A THR 166.A N GLU 162.A O no hydrogen 3.058 N/A THR 166.A OG1 GLU 162.A O no hydrogen 3.013 N/A THR 166.A OG1 GLU 162.A OE1 no hydrogen 2.573 N/A PHE 167.A N VAL 163.A O no hydrogen 2.944 N/A LYS 168.A N ALA 164.A O no hydrogen 2.842 N/A LYS 168.A NZ SER 165.A OG no hydrogen 3.307 N/A LEU 170.A N THR 166.A O no hydrogen 3.349 N/A ARG 171.A N PHE 167.A O no hydrogen 2.793 N/A ARG 171.A NH1 THR 153.A OG1 no hydrogen 3.151 N/A ASN 172.A N LYS 168.A O no hydrogen 3.021 N/A VAL 173.A N VAL 169.A O no hydrogen 2.890 N/A THR 174.A N LEU 170.A O no hydrogen 3.053 N/A THR 174.A OG1 LEU 170.A O no hydrogen 2.547 N/A VAL 175.A N ARG 171.A O no hydrogen 3.216 N/A VAL 176.A N ASN 172.A O no hydrogen 3.486 N/A LEU 177.A N VAL 173.A O no hydrogen 2.858 N/A TRP 178.A N THR 174.A O no hydrogen 2.693 N/A SER 179.A OG VAL 175.A O no hydrogen 2.742 N/A SER 179.A OG VAL 176.A O no hydrogen 3.362 N/A ALA 180.A N LEU 177.A O no hydrogen 3.032 N/A TYR 181.A OH ASP 208.A OD1 no hydrogen 2.598 N/A VAL 183.A N ALA 180.A O no hydrogen 2.821 N/A VAL 184.A N ALA 180.A O no hydrogen 3.059 N/A TRP 185.A N TYR 181.A O no hydrogen 3.240 N/A TRP 185.A NE1 TYR 79.A OH no hydrogen 2.946 N/A LEU 186.A N PRO 182.A O no hydrogen 3.504 N/A GLY 188.A N TRP 185.A O no hydrogen 3.380 N/A SER 189.A N GLU 200.A OE1 no hydrogen 2.897 N/A GLY 191.A N GLY 188.A O no hydrogen 3.213 N/A ALA 192.A N LEU 186.A O no hydrogen 2.927 N/A GLY 193.A N GLY 188.A O no hydrogen 2.755 N/A VAL 195.A N ILE 187.A O no hydrogen 2.723 N/A GLU 200.A N LEU 197.A O no hydrogen 3.268 N/A THR 201.A N LEU 197.A O no hydrogen 3.167 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.990 N/A LEU 202.A N ASN 198.A O no hydrogen 3.230 N/A LEU 203.A N ILE 199.A O no hydrogen 3.258 N/A LEU 203.A N GLU 200.A O no hydrogen 2.982 N/A PHE 204.A N GLU 200.A O no hydrogen 2.726 N/A MET 205.A N THR 201.A O no hydrogen 2.798 N/A VAL 206.A N LEU 202.A O no hydrogen 3.440 N/A LEU 207.A N LEU 203.A O no hydrogen 3.205 N/A ASP 208.A N PHE 204.A O no hydrogen 3.100 N/A VAL 209.A N MET 205.A O no hydrogen 2.899 N/A SER 210.A N VAL 206.A O no hydrogen 3.192 N/A SER 210.A OG VAL 206.A O no hydrogen 2.570 N/A ALA 211.A N LEU 207.A O no hydrogen 2.742 N/A LYS 212.A N VAL 209.A O no hydrogen 3.407 N/A VAL 213.A N VAL 209.A O no hydrogen 2.849 N/A GLY 214.A N VAL 209.A O no hydrogen 2.964 N/A PHE 215.A N SER 210.A O no hydrogen 3.123 N/A GLY 216.A N LYS 212.A O no hydrogen 2.965 N/A LEU 217.A N VAL 213.A O no hydrogen 3.085 N/A ILE 218.A N GLY 214.A O no hydrogen 3.280 N/A LEU 219.A N PHE 215.A O no hydrogen 2.978 N/A LEU 220.A N GLY 216.A O no hydrogen 2.813 N/A ARG 221.A N LEU 217.A O no hydrogen 3.243 N/A SER 222.A N LEU 219.A O no hydrogen 3.084 N/A SER 222.A OG LEU 219.A O no hydrogen 2.593 N/A ARG 223.A NH1 GLU 162.A OE2 no hydrogen 2.959 N/A ALA 224.A N GLU 162.A OE1 no hydrogen 3.373 N/A PHE 226.A N ARG 223.A O no hydrogen 3.328 N/A