Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 2.A O no hydrogen 3.053 N/A GLU 7.A N SER 4.A O no hydrogen 3.056 N/A ASN 10.A ND2 VAL 95.A O no hydrogen 3.164 N/A GLY 12.A N ASN 10.A OD1 no hydrogen 3.161 N/A ARG 13.A NH2 THR 120.A OG1 no hydrogen 2.790 N/A LEU 16.A N LEU 93.A O no hydrogen 3.072 N/A SER 17.A OG TYR 127.A OH no hydrogen 2.808 N/A SER 18.A N TRP 91.A O no hydrogen 2.857 N/A SER 18.A OG TRP 91.A O no hydrogen 3.328 N/A CYS 24.A SG PHE 88.A O no hydrogen 3.328 N/A ARG 25.A N ALA 22.A O no hydrogen 3.281 N/A LYS 26.A N VAL 23.A O no hydrogen 3.107 N/A GLU 27.A N VAL 23.A O no hydrogen 3.040 N/A CYS 29.A N ASN 134.A O no hydrogen 2.554 N/A CYS 29.A SG CYS 24.A O no hydrogen 3.726 N/A CYS 29.A SG GLU 27.A O no hydrogen 3.915 N/A VAL 30.A N CYS 52.A O no hydrogen 3.053 N/A LEU 31.A N GLN 137.A O no hydrogen 2.674 N/A GLY 32.A N CYS 50.A O no hydrogen 3.035 N/A VAL 33.A N PHE 139.A O no hydrogen 2.870 N/A ASP 34.A N ALA 48.A O no hydrogen 3.139 N/A GLU 35.A N ASP 34.A OD1 no hydrogen 2.729 N/A ALA 36.A N VAL 46.A O no hydrogen 2.724 N/A ARG 38.A NH2 ASN 114.A OD1 no hydrogen 2.759 N/A VAL 41.A N GLY 206.A O no hydrogen 2.829 N/A GLY 43.A N PHE 230.A O no hydrogen 2.861 N/A MET 45.A N LEU 96.A O no hydrogen 2.793 N/A VAL 46.A N ALA 36.A O no hydrogen 2.643 N/A TYR 47.A N ASP 94.A O no hydrogen 2.934 N/A ALA 48.A N ASP 34.A O no hydrogen 2.993 N/A ILE 49.A N ALA 92.A O no hydrogen 2.834 N/A CYS 50.A N GLY 32.A O no hydrogen 3.116 N/A CYS 50.A SG GLY 90.A O no hydrogen 3.697 N/A TYR 51.A N GLY 90.A O no hydrogen 2.855 N/A CYS 52.A N VAL 30.A O no hydrogen 3.430 N/A CYS 52.A SG PRO 53.A O no hydrogen 3.448 N/A CYS 52.A SG ARG 56.A O no hydrogen 3.806 N/A LEU 54.A N PRO 28.A O no hydrogen 2.873 N/A LEU 60.A N LEU 57.A O no hydrogen 3.134 N/A GLU 61.A N ALA 58.A O no hydrogen 3.141 N/A ALA 62.A N ALA 58.A O no hydrogen 3.217 N/A VAL 65.A N LEU 63.A O no hydrogen 2.678 N/A ASP 67.A N SER 176.A OG no hydrogen 3.357 N/A ARG 76.A N LEU 72.A O no hydrogen 2.943 N/A GLU 77.A N GLU 73.A O no hydrogen 3.130 N/A ARG 78.A N SER 74.A O no hydrogen 3.092 N/A PHE 80.A N ARG 76.A O no hydrogen 3.039 N/A ALA 81.A N GLU 77.A O no hydrogen 3.152 N/A LYS 82.A N ARG 78.A O no hydrogen 3.101 N/A MET 83.A N LEU 79.A O no hydrogen 3.152 N/A MET 83.A N PHE 80.A O no hydrogen 3.160 N/A GLU 84.A N PHE 80.A O no hydrogen 3.152 N/A ASP 85.A N ALA 81.A O no hydrogen 3.125 N/A THR 86.A N MET 83.A O no hydrogen 3.299 N/A THR 86.A OG1 LYS 82.A O no hydrogen 2.754 N/A GLY 90.A N TYR 51.A O no hydrogen 2.825 N/A TRP 91.A N SER 18.A OG no hydrogen 2.845 N/A ALA 92.A N ILE 49.A O no hydrogen 2.895 N/A LEU 93.A N LEU 16.A O no hydrogen 2.585 N/A ASP 94.A N TYR 47.A O no hydrogen 2.822 N/A VAL 95.A N CYS 14.A O no hydrogen 2.814 N/A LEU 96.A N MET 45.A O no hydrogen 2.772 N/A SER 97.A N GLY 12.A O no hydrogen 3.065 N/A SER 97.A OG GLY 12.A O no hydrogen 2.851 N/A ASN 99.A ND2 THR 11.A O no hydrogen 2.642 N/A LEU 100.A N SER 97.A O no hydrogen 2.933 N/A LEU 100.A N SER 97.A OG no hydrogen 3.161 N/A ILE 101.A N SER 97.A O no hydrogen 3.142 N/A SER 102.A N PRO 98.A O no hydrogen 2.925 N/A SER 102.A OG PRO 98.A O no hydrogen 3.045 N/A THR 103.A N ASN 99.A O no hydrogen 2.908 N/A THR 103.A OG1 ASN 99.A O no hydrogen 2.588 N/A SER 104.A N LEU 100.A O no hydrogen 3.143 N/A SER 104.A OG LEU 100.A O no hydrogen 2.796 N/A MET 105.A N ILE 101.A O no hydrogen 3.194 N/A LEU 106.A N SER 102.A O no hydrogen 2.837 N/A ARG 108.A NH1 GLU 252.A OE1 no hydrogen 3.139 N/A TYR 111.A N SER 104.A O no hydrogen 3.320 N/A TYR 111.A OH ASP 119.A OD2 no hydrogen 2.585 N/A SER 115.A N ASN 112.A O no hydrogen 3.208 N/A SER 115.A OG ASN 112.A OD1 no hydrogen 3.040 N/A LEU 116.A N ASN 112.A O no hydrogen 3.075 N/A SER 117.A N LEU 113.A O no hydrogen 2.776 N/A SER 117.A OG LEU 113.A O no hydrogen 2.732 N/A HIS 118.A N ASN 114.A O no hydrogen 3.002 N/A ASP 119.A N SER 115.A O no hydrogen 2.668 N/A THR 120.A N LEU 116.A O no hydrogen 3.218 N/A THR 120.A OG1 LEU 116.A O no hydrogen 2.610 N/A ALA 121.A N SER 117.A O no hydrogen 3.312 N/A THR 122.A N HIS 118.A O no hydrogen 3.085 N/A THR 122.A OG1 ASP 119.A O no hydrogen 3.333 N/A GLY 123.A N ASP 119.A O no hydrogen 3.052 N/A LEU 124.A N THR 120.A O no hydrogen 3.224 N/A LEU 124.A N ALA 121.A O no hydrogen 3.093 N/A ILE 125.A N ALA 121.A O no hydrogen 3.186 N/A GLN 126.A N THR 122.A O no hydrogen 2.719 N/A GLN 126.A NE2 ASP 130.A OD1 no hydrogen 3.174 N/A TYR 127.A N GLY 123.A O no hydrogen 2.870 N/A TYR 127.A OH SER 17.A OG no hydrogen 2.808 N/A ALA 128.A N LEU 124.A O no hydrogen 3.051 N/A LEU 129.A N ILE 125.A O no hydrogen 3.265 N/A ASP 130.A N GLN 126.A O no hydrogen 2.932 N/A GLN 131.A N TYR 127.A O no hydrogen 2.939 N/A GLN 131.A N ALA 128.A O no hydrogen 2.922 N/A GLY 132.A N LEU 129.A O no hydrogen 3.164 N/A VAL 133.A N ALA 128.A O no hydrogen 3.128 N/A ASN 134.A N CYS 24.A O no hydrogen 3.032 N/A ASN 134.A ND2 LYS 26.A O no hydrogen 2.957 N/A THR 136.A N CYS 29.A O no hydrogen 2.988 N/A THR 136.A OG1 CYS 29.A O no hydrogen 3.267 N/A GLN 137.A N CYS 29.A O no hydrogen 3.251 N/A GLN 137.A NE2 GLU 161.A OE2 no hydrogen 3.489 N/A VAL 138.A N GLU 161.A O no hydrogen 2.726 N/A PHE 139.A N LEU 31.A O no hydrogen 2.627 N/A VAL 140.A N THR 163.A O no hydrogen 2.760 N/A ASP 141.A N VAL 33.A O no hydrogen 3.221 N/A THR 142.A N LYS 165.A O no hydrogen 3.254 N/A GLN 150.A N PRO 146.A O no hydrogen 2.926 N/A ALA 151.A N GLU 147.A O no hydrogen 3.273 N/A ARG 152.A N THR 148.A O no hydrogen 2.882 N/A LEU 153.A N TYR 149.A O no hydrogen 3.020 N/A GLN 154.A N GLN 150.A O no hydrogen 3.032 N/A GLN 155.A N ALA 151.A O no hydrogen 3.278 N/A GLN 155.A N ARG 152.A O no hydrogen 3.071 N/A SER 156.A N ARG 152.A O no hydrogen 3.063 N/A PHE 157.A N LEU 153.A O no hydrogen 2.632 N/A ILE 160.A N PHE 157.A O no hydrogen 3.299 N/A GLU 161.A N THR 136.A O no hydrogen 3.185 N/A THR 163.A N VAL 138.A O no hydrogen 2.789 N/A VAL 164.A N GLN 150.A OE1 no hydrogen 3.097 N/A LYS 165.A N VAL 140.A O no hydrogen 3.105 N/A LYS 165.A NZ TYR 172.A OH no hydrogen 3.026 N/A ALA 168.A N ASP 141.A OD1 no hydrogen 3.116 N/A ALA 170.A N ASP 169.A OD1 no hydrogen 2.770 N/A TYR 172.A N ALA 168.A O no hydrogen 2.936 N/A VAL 175.A N TYR 172.A O no hydrogen 3.262 N/A SER 176.A N TYR 172.A O no hydrogen 3.222 N/A SER 176.A OG ASP 67.A OD1 no hydrogen 3.293 N/A SER 176.A OG ASP 169.A O no hydrogen 2.292 N/A ALA 177.A N PRO 173.A O no hydrogen 3.141 N/A ALA 178.A N VAL 174.A O no hydrogen 3.167 N/A SER 179.A N VAL 175.A O no hydrogen 3.063 N/A SER 179.A OG ASP 34.A OD2 no hydrogen 3.463 N/A ILE 180.A N SER 176.A O no hydrogen 3.280 N/A CYS 181.A N ALA 177.A O no hydrogen 3.239 N/A CYS 181.A SG ALA 177.A O no hydrogen 3.330 N/A ALA 182.A N ALA 178.A O no hydrogen 3.118 N/A LYS 183.A N SER 179.A O no hydrogen 3.070 N/A VAL 184.A N ILE 180.A O no hydrogen 3.006 N/A ALA 185.A N CYS 181.A O no hydrogen 2.928 N/A ARG 186.A N ALA 182.A O no hydrogen 2.891 N/A ARG 186.A NE PRO 44.A O no hydrogen 2.958 N/A ARG 186.A NH1 LEU 42.A O no hydrogen 2.796 N/A ARG 186.A NH1 PRO 44.A O no hydrogen 3.153 N/A ASP 187.A N LYS 183.A O no hydrogen 2.957 N/A GLN 188.A N VAL 184.A O no hydrogen 2.895 N/A ALA 189.A N ALA 185.A O no hydrogen 2.802 N/A VAL 190.A N ARG 186.A O no hydrogen 2.947 N/A LYS 191.A N ASP 187.A O no hydrogen 2.995 N/A LYS 192.A N GLN 188.A O no hydrogen 3.255 N/A LYS 192.A NZ LEU 3.A O no hydrogen 2.734 N/A LYS 192.A NZ GLN 188.A OE1 no hydrogen 3.429 N/A SER 205.A N ASP 210.A OD2 no hydrogen 3.508 N/A SER 205.A OG ASP 210.A OD2 no hydrogen 3.105 N/A GLY 206.A N THR 213.A OG1 no hydrogen 3.254 N/A TYR 207.A N SER 205.A OG no hydrogen 3.246 N/A ASP 210.A N TYR 207.A O no hydrogen 3.226 N/A LYS 212.A N ASP 210.A OD1 no hydrogen 3.014 N/A THR 213.A N ASP 210.A OD1 no hydrogen 3.337 N/A THR 213.A OG1 TYR 203.A O no hydrogen 2.617 N/A LYS 214.A N ASP 210.A O no hydrogen 3.198 N/A LYS 214.A NZ ASN 209.A O no hydrogen 3.549 N/A ALA 215.A N PRO 211.A O no hydrogen 3.118 N/A TRP 216.A N LYS 212.A O no hydrogen 2.911 N/A LEU 217.A N THR 213.A O no hydrogen 2.799 N/A LYS 218.A N LYS 214.A O no hydrogen 3.062 N/A GLU 219.A N ALA 215.A O no hydrogen 3.226 N/A HIS 220.A N TRP 216.A O no hydrogen 3.053 N/A HIS 220.A ND1 TRP 216.A O no hydrogen 2.828 N/A GLU 222.A N GLY 226.A O no hydrogen 2.733 N/A VAL 224.A N GLU 222.A OE1 no hydrogen 3.126 N/A GLY 226.A N GLU 222.A O no hydrogen 2.894 N/A GLN 229.A N GLU 197.A OE1 no hydrogen 3.289 N/A VAL 231.A N PRO 228.A O no hydrogen 3.287 N/A ARG 232.A N VAL 41.A O no hydrogen 2.680 N/A ARG 232.A NE GLY 43.A O no hydrogen 2.955 N/A ARG 232.A NH1 GLY 37.A O no hydrogen 2.841 N/A ARG 232.A NH1 ARG 38.A O no hydrogen 3.367 N/A ARG 232.A NH2 GLY 37.A O no hydrogen 2.645 N/A ARG 232.A NH2 GLY 43.A O no hydrogen 2.882 N/A PHE 233.A N SER 102.A OG no hydrogen 2.955 N/A TRP 235.A N ARG 232.A O no hydrogen 3.278 N/A TRP 235.A NE1 GLY 39.A O no hydrogen 2.962 N/A GLN 239.A N TRP 235.A O no hydrogen 3.114 N/A THR 240.A N ARG 236.A O no hydrogen 2.964 N/A THR 240.A OG1 ARG 236.A O no hydrogen 2.910 N/A THR 240.A OG1 THR 237.A O no hydrogen 3.261 N/A LEU 242.A N ALA 238.A O no hydrogen 3.025 N/A GLU 243.A N GLN 239.A O no hydrogen 2.917 N/A LYS 244.A N THR 240.A O no hydrogen 3.327 N/A GLU 245.A N ILE 241.A O no hydrogen 2.752 N/A ALA 246.A N LEU 242.A O no hydrogen 2.980 N/A GLU 247.A N PRO 223.A O no hydrogen 2.705 N/A TRP 251.A N SER 254.A OG no hydrogen 3.050 N/A GLU 252.A N GLU 252.A OE2 no hydrogen 2.781 N/A SER 254.A OG TRP 251.A O no hydrogen 2.864 N/A TYR 258.A N HIS 256.A ND1 no hydrogen 3.301 N/A LEU 260.A N HIS 256.A O no hydrogen 3.158 N/A GLU 261.A N ARG 257.A O no hydrogen 2.865 N/A ARG 262.A NE TYR 258.A O no hydrogen 2.766 N/A LEU 264.A N PHE 259.A O no hydrogen 2.784 N/A