Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ccn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 1.A O no hydrogen 3.245 N/A ALA 11.A N LEU 8.A O no hydrogen 3.025 N/A VAL 12.A N VAL 9.A O no hydrogen 3.166 N/A GLN 13.A NE2 GLN 10.A O no hydrogen 2.742 N/A HIS 14.A N ALA 11.A O no hydrogen 3.281 N/A VAL 15.A N ALA 11.A O no hydrogen 3.361 N/A VAL 16.A N VAL 12.A O no hydrogen 3.157 N/A ILE 17.A N ILE 80.A O no hydrogen 2.710 N/A SER 21.A N GLY 18.A O no hydrogen 2.877 N/A ILE 23.A N THR 42.A O no hydrogen 2.821 N/A HIS 25.A N HIS 40.A O no hydrogen 2.911 N/A HIS 25.A ND1 HIS 40.A O no hydrogen 3.245 N/A GLU 28.A N HIS 25.A O no hydrogen 3.351 N/A ILE 30.A N VAL 38.A O no hydrogen 2.931 N/A GLY 33.A N GLY 36.A O no hydrogen 2.969 N/A PHE 35.A N ASP 158.A OD1 no hydrogen 3.057 N/A PHE 35.A N ASP 158.A OD2 no hydrogen 2.994 N/A GLY 36.A N GLY 33.A O no hydrogen 3.413 N/A VAL 38.A N GLY 31.A O no hydrogen 2.966 N/A TYR 39.A N VAL 49.A O no hydrogen 2.716 N/A HIS 40.A ND1 HIS 46.A NE2 no hydrogen 2.811 N/A GLY 41.A N CYS 47.A O no hydrogen 2.874 N/A THR 42.A N ILE 23.A O no hydrogen 2.720 N/A LEU 43.A N ILE 45.A O no hydrogen 3.004 N/A ILE 45.A N LEU 43.A O no hydrogen 3.010 N/A HIS 46.A NE2 HIS 40.A ND1 no hydrogen 2.811 N/A CYS 47.A N GLY 41.A O no hydrogen 2.894 N/A ALA 48.A N LEU 87.A O no hydrogen 2.747 N/A VAL 49.A N TYR 39.A O no hydrogen 2.768 N/A LYS 50.A N VAL 85.A O no hydrogen 2.698 N/A LYS 50.A NZ ASP 158.A OD2 no hydrogen 2.855 N/A SER 51.A N CYS 37.A O no hydrogen 2.793 N/A ASN 53.A N PHE 35.A O no hydrogen 2.568 N/A SER 57.A OG LEU 4.A O no hydrogen 3.250 N/A PHE 59.A N GLU 55.A O no hydrogen 2.944 N/A LEU 60.A N VAL 56.A O no hydrogen 3.058 N/A THR 61.A N SER 57.A O no hydrogen 3.216 N/A THR 61.A OG1 SER 57.A O no hydrogen 3.466 N/A THR 61.A OG1 GLN 58.A O no hydrogen 2.796 N/A THR 61.A OG1 GLN 58.A OE1 no hydrogen 3.309 N/A GLU 62.A N GLN 58.A O no hydrogen 3.076 N/A GLY 63.A N PHE 59.A O no hydrogen 3.148 N/A ILE 64.A N LEU 60.A O no hydrogen 2.883 N/A ILE 65.A N THR 61.A O no hydrogen 2.913 N/A MET 66.A N GLU 62.A O no hydrogen 2.994 N/A LYS 67.A N GLY 63.A O no hydrogen 2.921 N/A LYS 67.A NZ HIS 14.A O no hydrogen 3.196 N/A PHE 69.A N MET 66.A O no hydrogen 3.024 N/A SER 70.A N TYR 124.A OH no hydrogen 2.997 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 3.179 N/A ASN 73.A ND2 VAL 148.A O no hydrogen 3.007 N/A VAL 74.A N HIS 71.A O no hydrogen 3.119 N/A LEU 75.A N VAL 150.A O no hydrogen 2.847 N/A LEU 78.A N VAL 86.A O no hydrogen 3.006 N/A GLY 79.A N VAL 86.A O no hydrogen 3.383 N/A ILE 80.A N VAL 15.A O no hydrogen 2.764 N/A CYS 81.A N LEU 84.A O no hydrogen 2.833 N/A CYS 81.A SG ILE 17.A O no hydrogen 3.876 N/A LEU 84.A N CYS 81.A O no hydrogen 2.932 N/A VAL 85.A N LYS 50.A O no hydrogen 3.040 N/A VAL 86.A N GLY 79.A O no hydrogen 2.921 N/A LEU 87.A N ALA 48.A O no hydrogen 2.649 N/A HIS 92.A N LEU 142.A O no hydrogen 3.104 N/A GLY 93.A N MET 90.A O no hydrogen 3.110 N/A LEU 95.A N CYS 140.A O no hydrogen 2.691 N/A ARG 96.A N ALA 137.A O no hydrogen 3.257 N/A ARG 96.A NE GLY 209.A O no hydrogen 3.142 N/A ARG 96.A NH2 GLY 209.A O no hydrogen 2.943 N/A ASN 97.A N ASP 94.A OD2 no hydrogen 3.162 N/A PHE 98.A N ASP 94.A O no hydrogen 3.157 N/A ILE 99.A N LEU 95.A O no hydrogen 3.132 N/A ARG 100.A N ARG 96.A O no hydrogen 3.103 N/A ARG 100.A NH2 GLY 209.A O no hydrogen 3.187 N/A ASN 101.A N PHE 98.A O no hydrogen 3.328 N/A THR 103.A N ASN 101.A OD1 no hydrogen 2.783 N/A THR 103.A OG1 ASN 101.A OD1 no hydrogen 3.239 N/A THR 107.A N ASP 110.A OD2 no hydrogen 3.071 N/A THR 107.A OG1 GLY 275.A O no hydrogen 2.993 N/A LYS 109.A NZ PHE 270.A O no hydrogen 2.995 N/A LYS 109.A NZ PHE 273.A O no hydrogen 3.085 N/A ASP 110.A N THR 107.A OG1 no hydrogen 3.096 N/A LEU 111.A N THR 107.A O no hydrogen 2.943 N/A ILE 112.A N VAL 108.A O no hydrogen 2.986 N/A GLY 113.A N LYS 109.A O no hydrogen 2.953 N/A PHE 114.A N ASP 110.A O no hydrogen 2.933 N/A GLY 115.A N LEU 111.A O no hydrogen 3.073 N/A LEU 116.A N ILE 112.A O no hydrogen 2.764 N/A GLN 117.A N GLY 113.A O no hydrogen 2.969 N/A GLN 117.A NE2 GLY 113.A O no hydrogen 3.612 N/A VAL 118.A N PHE 114.A O no hydrogen 3.052 N/A ALA 119.A N GLY 115.A O no hydrogen 3.008 N/A LYS 120.A N LEU 116.A O no hydrogen 2.991 N/A GLY 121.A N GLN 117.A O no hydrogen 3.008 N/A MET 122.A N VAL 118.A O no hydrogen 2.878 N/A LYS 123.A N ALA 119.A O no hydrogen 2.788 N/A TYR 124.A N LYS 120.A O no hydrogen 3.035 N/A LEU 125.A N GLY 121.A O no hydrogen 3.053 N/A ALA 126.A N MET 122.A O no hydrogen 2.843 N/A SER 127.A N LYS 123.A O no hydrogen 3.072 N/A SER 127.A OG TYR 124.A O no hydrogen 2.588 N/A LYS 128.A N TYR 124.A O no hydrogen 3.297 N/A LYS 128.A N LEU 125.A O no hydrogen 3.045 N/A LYS 128.A NZ TYR 124.A OH no hydrogen 2.616 N/A LYS 129.A N ALA 126.A O no hydrogen 2.962 N/A PHE 130.A N LEU 125.A O no hydrogen 3.029 N/A HIS 132.A N ASP 194.A OD2 no hydrogen 2.800 N/A HIS 132.A NE2 ALA 151.A O no hydrogen 2.659 N/A ARG 133.A N ASP 194.A OD1 no hydrogen 3.019 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.048 N/A ALA 137.A N GLU 204.A OE1 no hydrogen 3.004 N/A ARG 138.A NE TYR 165.A OH no hydrogen 3.003 N/A ARG 138.A NH1 ASP 134.A OD1 no hydrogen 3.177 N/A ARG 138.A NH1 TYR 165.A OH no hydrogen 3.261 N/A ASN 139.A N ALA 136.A O no hydrogen 3.020 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.829 N/A ASN 139.A ND2 TYR 165.A OH no hydrogen 3.476 N/A CYS 140.A N ALA 137.A O no hydrogen 3.216 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.632 N/A MET 141.A N LYS 149.A O no hydrogen 2.946 N/A LEU 142.A N GLY 93.A O no hydrogen 2.834 N/A ASP 143.A N THR 147.A O no hydrogen 3.172 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 3.013 N/A LYS 145.A N ASP 143.A OD1 no hydrogen 2.853 N/A PHE 146.A N ASP 143.A O no hydrogen 2.965 N/A THR 147.A N ASP 143.A OD1 no hydrogen 3.015 N/A VAL 148.A N GLN 117.A OE1 no hydrogen 2.784 N/A LYS 149.A N MET 141.A O no hydrogen 2.798 N/A LYS 149.A NZ PRO 72.A O no hydrogen 2.785 N/A VAL 150.A N ASN 73.A O no hydrogen 2.785 N/A ALA 151.A N ASN 139.A O no hydrogen 3.096 N/A ALA 156.A N PHE 153.A O no hydrogen 3.079 N/A ARG 157.A N GLY 154.A O no hydrogen 3.466 N/A ASP 158.A N ASP 152.A OD1 no hydrogen 2.843 N/A MET 159.A N ASP 158.A OD1 no hydrogen 2.809 N/A TYR 160.A OH ALA 156.A O no hydrogen 2.723 N/A GLU 163.A N ASP 161.A OD1 no hydrogen 3.439 N/A TYR 164.A N ASP 161.A O no hydrogen 3.433 N/A TYR 165.A N LYS 162.A O no hydrogen 3.304 N/A TYR 165.A OH ASP 134.A OD1 no hydrogen 3.230 N/A TYR 165.A OH ASP 134.A OD2 no hydrogen 2.499 N/A SER 166.A N LEU 174.A O no hydrogen 2.845 N/A HIS 168.A N ALA 172.A O no hydrogen 2.875 N/A THR 170.A N HIS 168.A ND1 no hydrogen 3.252 N/A GLY 171.A N HIS 168.A O no hydrogen 3.061 N/A LEU 174.A N SER 166.A O no hydrogen 2.875 N/A LYS 177.A NZ TYR 213.A O no hydrogen 2.665 N/A LYS 177.A NZ VAL 216.A O no hydrogen 2.937 N/A TRP 178.A N PRO 175.A O no hydrogen 2.919 N/A TRP 178.A NE1 GLU 204.A OE1 no hydrogen 2.885 N/A MET 179.A N VAL 176.A O no hydrogen 3.256 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.830 N/A SER 183.A OG LYS 188.A O no hydrogen 2.702 N/A LEU 184.A N ALA 180.A O no hydrogen 3.021 N/A GLN 185.A N LEU 181.A O no hydrogen 3.157 N/A THR 186.A N GLU 182.A O no hydrogen 2.823 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.725 N/A GLN 187.A N SER 183.A O no hydrogen 2.628 N/A LYS 188.A N THR 186.A OG1 no hydrogen 3.268 N/A THR 190.A N SER 193.A OG no hydrogen 2.766 N/A LYS 192.A NZ ARG 256.A O no hydrogen 2.708 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.112 N/A SER 193.A OG THR 190.A O no hydrogen 2.907 N/A ASP 194.A N THR 190.A O no hydrogen 3.005 N/A VAL 195.A N THR 191.A O no hydrogen 3.014 N/A TRP 196.A N LYS 192.A O no hydrogen 3.326 N/A SER 197.A N SER 193.A O no hydrogen 3.191 N/A SER 197.A OG TRP 178.A O no hydrogen 2.709 N/A SER 197.A OG SER 193.A O no hydrogen 3.350 N/A PHE 198.A N ASP 194.A O no hydrogen 2.824 N/A GLY 199.A N VAL 195.A O no hydrogen 3.066 N/A VAL 200.A N TRP 196.A O no hydrogen 3.260 N/A LEU 201.A N SER 197.A O no hydrogen 2.907 N/A LEU 202.A N PHE 198.A O no hydrogen 2.934 N/A TRP 203.A N GLY 199.A O no hydrogen 3.156 N/A TRP 203.A NE1 LEU 232.A O no hydrogen 2.691 N/A GLU 204.A N VAL 200.A O no hydrogen 2.905 N/A LEU 205.A N LEU 201.A O no hydrogen 2.908 N/A MET 206.A N LEU 202.A O no hydrogen 3.032 N/A THR 207.A N TRP 203.A O no hydrogen 3.066 N/A THR 207.A OG1 TRP 203.A O no hydrogen 3.025 N/A THR 207.A OG1 GLU 204.A O no hydrogen 3.116 N/A ARG 208.A N LEU 205.A O no hydrogen 3.207 N/A ARG 208.A NE ILE 99.A O no hydrogen 2.839 N/A ARG 208.A NH1 ILE 99.A O no hydrogen 3.168 N/A GLY 209.A N GLU 204.A O no hydrogen 2.787 N/A ALA 210.A N THR 207.A OG1 no hydrogen 3.168 N/A VAL 216.A N TYR 213.A O no hydrogen 3.296 N/A ASP 220.A N ASN 217.A O no hydrogen 2.980 N/A ILE 221.A N THR 218.A O no hydrogen 3.321 N/A TYR 224.A N ASP 220.A O no hydrogen 2.987 N/A LEU 225.A N ILE 221.A O no hydrogen 2.822 N/A LEU 226.A N THR 222.A O no hydrogen 2.979 N/A GLN 227.A N VAL 223.A O no hydrogen 3.169 N/A GLN 227.A N TYR 224.A O no hydrogen 3.323 N/A GLY 228.A N LEU 225.A O no hydrogen 3.039 N/A ARG 229.A N LEU 225.A O no hydrogen 3.288 N/A ARG 229.A NE GLN 227.A OE1 no hydrogen 2.771 N/A ARG 229.A NH1 GLN 227.A OE1 no hydrogen 3.460 N/A ARG 230.A NE TRP 249.A O no hydrogen 3.234 N/A ARG 230.A NH1 ARG 229.A O no hydrogen 2.928 N/A ARG 230.A NH2 TRP 249.A O no hydrogen 2.814 N/A GLN 233.A NE2 CYS 237.A O no hydrogen 2.753 N/A GLN 233.A NE2 ASP 239.A OD1 no hydrogen 2.995 N/A CYS 237.A N PRO 234.A O no hydrogen 3.169 N/A CYS 237.A SG PRO 238.A O no hydrogen 3.515 N/A TYR 242.A N PRO 238.A O no hydrogen 3.091 N/A TYR 242.A OH LEU 231.A O no hydrogen 2.641 N/A GLU 243.A N ASP 239.A O no hydrogen 2.987 N/A VAL 244.A N PRO 240.A O no hydrogen 3.007 N/A MET 245.A N LEU 241.A O no hydrogen 3.022 N/A LEU 246.A N TYR 242.A O no hydrogen 2.980 N/A LYS 247.A N GLU 243.A O no hydrogen 3.044 N/A CYS 248.A N VAL 244.A O no hydrogen 2.947 N/A CYS 248.A SG VAL 244.A O no hydrogen 3.332 N/A TRP 249.A N MET 245.A O no hydrogen 3.050 N/A TRP 249.A N LEU 246.A O no hydrogen 3.274 N/A HIS 250.A N LYS 247.A O no hydrogen 3.167 N/A LYS 252.A N HIS 250.A ND1 no hydrogen 3.010 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.716 N/A MET 255.A N LYS 252.A O no hydrogen 2.886 N/A ARG 256.A N ALA 253.A O no hydrogen 3.159 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.770 N/A ARG 256.A NH1 GLU 182.A OE1 no hydrogen 2.698 N/A ARG 256.A NH1 LYS 192.A O no hydrogen 3.063 N/A ARG 256.A NH2 GLU 182.A OE1 no hydrogen 3.522 N/A ARG 256.A NH2 GLU 182.A OE2 no hydrogen 2.816 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 2.911 N/A GLU 261.A N SER 258.A OG no hydrogen 3.025 N/A LEU 262.A N SER 258.A O no hydrogen 3.014 N/A VAL 263.A N PHE 259.A O no hydrogen 2.880 N/A SER 264.A N SER 260.A O no hydrogen 3.145 N/A ARG 265.A N GLU 261.A O no hydrogen 2.907 N/A ARG 265.A NE GLU 261.A OE2 no hydrogen 2.750 N/A ARG 265.A NH1 GLU 261.A OE2 no hydrogen 3.389 N/A ILE 266.A N LEU 262.A O no hydrogen 2.901 N/A SER 267.A N VAL 263.A O no hydrogen 2.877 N/A SER 267.A OG VAL 263.A O no hydrogen 3.205 N/A SER 267.A OG SER 264.A O no hydrogen 2.818 N/A ALA 268.A N SER 264.A O no hydrogen 3.235 N/A ILE 269.A N ARG 265.A O no hydrogen 3.220 N/A PHE 270.A N ILE 266.A O no hydrogen 2.849 N/A SER 271.A N SER 267.A O no hydrogen 2.980 N/A SER 271.A OG ALA 268.A O no hydrogen 2.605 N/A THR 272.A N ILE 269.A O no hydrogen 3.088 N/A THR 272.A OG1 ILE 269.A O no hydrogen 2.725 N/A PHE 273.A N PHE 270.A O no hydrogen 3.254 N/A