Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.132 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.690 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.251 N/A MET 5.A N CYS 101.A O no hydrogen 2.996 N/A ARG 6.A N TYR 27.A O no hydrogen 2.940 N/A ARG 6.A NE MET 5.A O no hydrogen 3.144 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.362 N/A TYR 7.A N SER 99.A O no hydrogen 2.680 N/A PHE 8.A N VAL 25.A O no hydrogen 2.885 N/A GLU 9.A N GLN 97.A O no hydrogen 2.944 N/A THR 10.A N ILE 23.A O no hydrogen 2.688 N/A ALA 11.A N LEU 95.A O no hydrogen 2.787 N/A VAL 12.A N ARG 21.A O no hydrogen 2.762 N/A SER 13.A N HIS 93.A O no hydrogen 2.790 N/A SER 13.A OG HIS 93.A O no hydrogen 3.563 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.166 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.385 N/A ARG 21.A N VAL 12.A O no hydrogen 3.088 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.323 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.408 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.678 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.538 N/A ILE 23.A N THR 10.A O no hydrogen 2.630 N/A SER 24.A N PHE 36.A O no hydrogen 2.936 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.611 N/A VAL 25.A N PHE 8.A O no hydrogen 2.876 N/A GLY 26.A N VAL 34.A O no hydrogen 2.845 N/A TYR 27.A N ARG 6.A O no hydrogen 2.834 N/A VAL 28.A N LYS 31.A O no hydrogen 2.870 N/A ASP 29.A N SER 4.A O no hydrogen 3.002 N/A LYS 31.A N VAL 28.A O no hydrogen 3.060 N/A LYS 31.A NZ GLU 32.A O no hydrogen 3.165 N/A LYS 31.A NZ ARG 48.A O no hydrogen 3.248 N/A PHE 33.A N GLY 26.A O no hydrogen 2.889 N/A ARG 35.A N GLU 46.A O no hydrogen 3.159 N/A ARG 35.A NE GLU 32.A OE2 no hydrogen 2.786 N/A ARG 35.A NH2 GLU 32.A OE1 no hydrogen 2.607 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 2.661 N/A PHE 36.A N SER 24.A O no hydrogen 2.651 N/A SER 38.A N TYR 22.A O no hydrogen 2.991 N/A SER 38.A OG GLU 71.A OE2 no hydrogen 2.687 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.597 N/A ALA 40.A N ASP 37.A O no hydrogen 3.093 N/A ASN 42.A N GLU 41.A OE1 no hydrogen 2.560 N/A ARG 44.A NE TYR 45.A O no hydrogen 3.024 N/A ARG 44.A NH2 TYR 45.A O no hydrogen 3.041 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.205 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.611 N/A ARG 48.A N PHE 33.A O no hydrogen 3.009 N/A ARG 48.A NE GLU 32.A OE2 no hydrogen 2.884 N/A MET 52.A N ALA 49.A O no hydrogen 3.329 N/A GLU 53.A N PRO 50.A O no hydrogen 2.955 N/A TYR 59.A N GLY 56.A O no hydrogen 3.243 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.407 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.901 N/A ARG 62.A N GLU 58.A O no hydrogen 3.267 N/A GLU 63.A N TYR 59.A O no hydrogen 2.901 N/A THR 64.A N TRP 60.A O no hydrogen 2.861 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.596 N/A GLN 65.A N.A GLU 61.A O no hydrogen 2.733 N/A GLN 65.A N.B GLU 61.A O no hydrogen 2.752 N/A GLN 65.A NE2.B GLU 61.A OE2 no hydrogen 3.133 N/A LYS 66.A N ARG 62.A O no hydrogen 3.052 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.592 N/A LYS 66.A NZ GLU 163.A OE1 no hydrogen 3.523 N/A ALA 67.A N GLU 63.A O no hydrogen 3.218 N/A LYS 68.A N THR 64.A O no hydrogen 3.059 N/A GLY 69.A N GLN 65.A O.A no hydrogen 3.277 N/A GLY 69.A N GLN 65.A O.B no hydrogen 3.249 N/A GLN 70.A N LYS 66.A O no hydrogen 2.920 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.736 N/A GLU 71.A N ALA 67.A O no hydrogen 2.837 N/A GLN 72.A N LYS 68.A O no hydrogen 3.456 N/A GLN 72.A NE2 GLU 19.A OE1 no hydrogen 3.287 N/A TRP 73.A N GLY 69.A O no hydrogen 3.000 N/A PHE 74.A N GLN 70.A O no hydrogen 2.714 N/A ARG 75.A N GLU 71.A O no hydrogen 2.673 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 2.446 N/A VAL 76.A N GLN 72.A O no hydrogen 2.834 N/A SER 77.A N TRP 73.A O no hydrogen 2.887 N/A SER 77.A OG TRP 73.A O no hydrogen 3.168 N/A LEU 78.A N PHE 74.A O no hydrogen 2.977 N/A ARG 79.A N ARG 75.A O no hydrogen 3.256 N/A ASN 80.A N VAL 76.A O no hydrogen 2.820 N/A LEU 81.A N SER 77.A O no hydrogen 2.764 N/A LEU 82.A N LEU 78.A O no hydrogen 3.395 N/A TYR 84.A N ASN 80.A O no hydrogen 3.223 N/A TYR 85.A N LEU 81.A O no hydrogen 2.808 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.952 N/A ASN 86.A N GLY 83.A O no hydrogen 3.152 N/A GLN 87.A N LEU 82.A O no hydrogen 2.712 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.468 N/A SER 88.A OG ALA 89.A O no hydrogen 2.769 N/A SER 92.A OG SER 13.A O no hydrogen 3.413 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.112 N/A LEU 95.A N ALA 11.A O no hydrogen 2.880 N/A GLN 96.A N ALA 117.A O no hydrogen 2.908 N/A GLN 97.A N GLU 9.A O no hydrogen 2.652 N/A MET 98.A N GLN 115.A O no hydrogen 3.005 N/A SER 99.A N TYR 7.A O no hydrogen 3.134 N/A GLY 100.A N TYR 113.A O no hydrogen 2.978 N/A CYS 101.A N MET 5.A O no hydrogen 3.044 N/A ASP 102.A N ARG 111.A O no hydrogen 2.869 N/A LEU 103.A N HIS 3.A O no hydrogen 2.748 N/A GLY 104.A N ARG 108.A O no hydrogen 2.753 N/A TRP 107.A N.A GLY 104.A O no hydrogen 3.084 N/A TRP 107.A N.B GLY 104.A O no hydrogen 2.827 N/A ARG 108.A N ASP 106.A OD2.B no hydrogen 2.712 N/A LEU 110.A N ASP 102.A O no hydrogen 2.525 N/A ARG 111.A N ASP 102.A O no hydrogen 3.374 N/A TYR 113.A N GLY 100.A O no hydrogen 2.756 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.524 N/A GLN 115.A N MET 98.A O no hydrogen 2.737 N/A PHE 116.A N ILE 124.A O no hydrogen 2.662 N/A ALA 117.A N GLN 96.A O no hydrogen 2.962 N/A TYR 118.A N ARG 121.A O no hydrogen 2.863 N/A GLU 119.A N THR 94.A O no hydrogen 2.962 N/A ARG 121.A N TYR 118.A O no hydrogen 2.969 N/A TYR 123.A N PHE 116.A O no hydrogen 2.893 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.791 N/A ILE 124.A N PHE 116.A O no hydrogen 3.445 N/A ALA 125.A N THR 134.A O no hydrogen 2.860 N/A LEU 126.A N LEU 114.A O no hydrogen 2.879 N/A ASN 127.A N THR 132.A O no hydrogen 2.753 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.768 N/A LEU 130.A N ASN 127.A O no hydrogen 2.993 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.521 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 3.367 N/A THR 134.A N ALA 125.A O no hydrogen 2.787 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.600 N/A ALA 136.A N TYR 123.A O no hydrogen 2.557 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.767 N/A GLN 141.A N MET 138.A O no hydrogen 2.795 N/A ILE 142.A N ALA 139.A O no hydrogen 3.162 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.791 N/A ARG 144.A N.A ALA 140.A O no hydrogen 2.774 N/A ARG 144.A N.B ALA 140.A O no hydrogen 2.783 N/A ARG 144.A NE.B TRP 133.A O no hydrogen 2.626 N/A ARG 145.A N GLN 141.A O no hydrogen 2.748 N/A LYS 146.A N ILE 142.A O no hydrogen 3.436 N/A TRP 147.A N THR 143.A O no hydrogen 2.825 N/A GLU 148.A N ARG 144.A O.A no hydrogen 2.832 N/A GLU 148.A N ARG 144.A O.B no hydrogen 2.936 N/A GLN 149.A N ARG 145.A O no hydrogen 2.832 N/A SER 150.A N LYS 146.A O no hydrogen 3.059 N/A SER 150.A OG LYS 146.A O no hydrogen 3.243 N/A SER 150.A OG TRP 147.A O no hydrogen 2.864 N/A GLY 151.A N GLU 148.A O no hydrogen 3.162 N/A ALA 152.A N TRP 147.A O no hydrogen 2.893 N/A HIS 155.A N ALA 152.A O no hydrogen 2.979 N/A LYS 157.A N ALA 153.A O no hydrogen 2.894 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 2.731 N/A ALA 158.A N GLU 154.A O no hydrogen 3.155 N/A TYR 159.A N HIS 155.A O no hydrogen 3.275 N/A LEU 160.A N TYR 156.A O no hydrogen 2.740 N/A GLU 161.A N LYS 157.A O no hydrogen 2.927 N/A GLY 162.A N ALA 158.A O no hydrogen 2.719 N/A GLY 162.A N TYR 159.A O no hydrogen 3.206 N/A CYS 164.A N TYR 159.A O no hydrogen 2.963 N/A GLU 166.A N GLY 162.A O no hydrogen 3.100 N/A GLU 166.A N GLU 163.A O no hydrogen 3.043 N/A TRP 167.A N GLU 163.A O no hydrogen 2.957 N/A LEU 168.A N CYS 164.A O no hydrogen 3.166 N/A HIS 169.A N VAL 165.A O no hydrogen 3.316 N/A HIS 169.A ND1 VAL 165.A O no hydrogen 2.929 N/A ARG 170.A N GLU 166.A O no hydrogen 3.156 N/A TYR 171.A N TRP 167.A O no hydrogen 2.773 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.407 N/A LEU 172.A N LEU 168.A O no hydrogen 2.783 N/A LYS 173.A N HIS 169.A O no hydrogen 3.096 N/A LYS 173.A N ARG 170.A O no hydrogen 3.180 N/A ASN 174.A N ARG 170.A O no hydrogen 3.207 N/A GLY 175.A N TYR 171.A O no hydrogen 2.783 N/A LEU 179.A N GLY 175.A O no hydrogen 2.985 N/A LEU 180.A N ASN 176.A O no hydrogen 3.315 N/A ARG 181.A N THR 178.A O no hydrogen 3.434 N/A ARG 181.A NE THR 178.A O no hydrogen 3.371 N/A ASP 183.A N TYR 209.A O no hydrogen 3.009 N/A LYS 186.A N LEU 206.A O no hydrogen 2.674 N/A HIS 188.A N TRP 204.A O no hydrogen 3.270 N/A THR 190.A N ARG 202.A O no hydrogen 2.909 N/A HIS 191.A NE2 GLU 254.A OE1 no hydrogen 2.986 N/A HIS 192.A N THR 200.A O no hydrogen 2.925 N/A SER 195.A OG GLU 198.A OE2 no hydrogen 3.227 N/A GLU 198.A N SER 195.A O no hydrogen 3.350 N/A VAL 199.A N VAL 249.A O no hydrogen 2.692 N/A THR 200.A N HIS 192.A O no hydrogen 2.720 N/A THR 200.A OG1 HIS 192.A O no hydrogen 3.108 N/A LEU 201.A N VAL 247.A O no hydrogen 3.009 N/A ARG 202.A N THR 190.A O no hydrogen 3.168 N/A CYS 203.A N ALA 245.A O no hydrogen 2.525 N/A TRP 204.A N HIS 188.A O no hydrogen 2.774 N/A ALA 205.A N LYS 243.A O no hydrogen 2.603 N/A LEU 206.A N LYS 186.A O no hydrogen 2.913 N/A GLY 207.A N PHE 241.A O no hydrogen 2.928 N/A PHE 208.A N PHE 241.A O no hydrogen 3.433 N/A TYR 209.A N ASP 183.A O no hydrogen 2.888 N/A THR 214.A OG1 ILE 213.A O no hydrogen 2.790 N/A THR 216.A N ARG 260.A O no hydrogen 3.038 N/A THR 216.A OG1 ARG 260.A O no hydrogen 3.356 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.825 N/A GLN 218.A N THR 258.A O no hydrogen 2.783 N/A GLN 226.A N ASP 227.A OD2 no hydrogen 3.272 N/A GLU 229.A N SER 246.A O no hydrogen 2.760 N/A ARG 234.A N GLN 242.A O no hydrogen 3.201 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.864 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.435 N/A ALA 236.A N THR 240.A O no hydrogen 2.907 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.856 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.635 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.457 N/A PHE 241.A N PHE 208.A O no hydrogen 2.668 N/A GLN 242.A N ARG 234.A O no hydrogen 2.763 N/A LYS 243.A N ALA 205.A O no hydrogen 2.777 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.525 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.212 N/A ALA 245.A N CYS 203.A O no hydrogen 2.972 N/A SER 246.A N GLU 229.A O no hydrogen 2.781 N/A SER 246.A OG GLU 229.A O no hydrogen 3.567 N/A VAL 247.A N LEU 201.A O no hydrogen 2.968 N/A VAL 249.A N VAL 199.A O no hydrogen 2.744 N/A LEU 251.A N GLY 197.A O no hydrogen 2.717 N/A LYS 253.A N LEU 251.A O no hydrogen 2.533 N/A THR 258.A N GLN 218.A O no hydrogen 2.812 N/A CYS 259.A N LEU 272.A O no hydrogen 2.769 N/A ARG 260.A N THR 216.A O no hydrogen 2.670 N/A VAL 261.A N LEU 270.A O no hydrogen 2.896 N/A TYR 262.A N THR 214.A O no hydrogen 3.258 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.080 N/A LEU 270.A N VAL 261.A O no hydrogen 2.673 N/A LEU 272.A N CYS 259.A O no hydrogen 3.103 N/A ARG 273.A NH1 GLN 255.A OE1 no hydrogen 3.527 N/A