Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG PRO 4.A O no hydrogen 3.791 N/A CYS 7.A N PRO 4.A O no hydrogen 3.082 N/A CYS 7.A SG ALA 5.A O no hydrogen 3.835 N/A GLU 8.A N LYS 17.A O no hydrogen 2.809 N/A SER 10.A N THR 15.A O no hydrogen 2.783 N/A ALA 13.A N SER 10.A OG no hydrogen 3.007 N/A ARG 14.A N GLU 11.A O no hydrogen 3.141 N/A ARG 14.A NH1 TYR 33.A O no hydrogen 2.794 N/A THR 15.A N SER 10.A O no hydrogen 2.911 N/A THR 15.A OG1 ALA 13.A O no hydrogen 2.679 N/A VAL 16.A N ASN 36.A O no hydrogen 2.918 N/A LYS 17.A N GLU 8.A O no hydrogen 2.766 N/A CYS 18.A N PHE 38.A O no hydrogen 2.797 N/A ASN 20.A N THR 40.A O no hydrogen 2.850 N/A ARG 21.A N ASN 42.A OD1 no hydrogen 3.001 N/A LEU 23.A N ASN 42.A OD1 no hydrogen 3.171 N/A ASP 29.A N ASP 29.A OD1 no hydrogen 2.473 N/A VAL 34.A N PRO 31.A O no hydrogen 3.170 N/A ARG 35.A N ARG 14.A O no hydrogen 2.818 N/A ARG 35.A NH2 GLU 60.A OE1 no hydrogen 2.762 N/A ASN 36.A N ARG 14.A O no hydrogen 3.071 N/A LEU 37.A N ALA 63.A O no hydrogen 2.948 N/A PHE 38.A N VAL 16.A O no hydrogen 2.903 N/A LEU 39.A N ASN 65.A O no hydrogen 2.752 N/A GLY 41.A N SER 67.A O no hydrogen 3.379 N/A ASN 42.A N SER 69.A OG no hydrogen 2.912 N/A ASN 42.A ND2 CYS 18.A O no hydrogen 2.992 N/A GLN 43.A N LEU 23.A O no hydrogen 3.043 N/A LEU 44.A N SER 69.A O no hydrogen 2.850 N/A ALA 45.A N ARG 70.A O no hydrogen 3.235 N/A VAL 46.A N LEU 44.A O no hydrogen 2.728 N/A LEU 47.A N GLU 73.A O no hydrogen 2.977 N/A GLY 50.A N GLY 77.A O no hydrogen 2.933 N/A ALA 51.A N PRO 48.A O no hydrogen 3.165 N/A ALA 53.A N GLY 50.A O no hydrogen 2.946 N/A ARG 54.A NE THR 28.A O no hydrogen 2.830 N/A ARG 54.A NH1 ALA 51.A O no hydrogen 3.069 N/A ARG 54.A NH1 ALA 53.A O no hydrogen 2.614 N/A ARG 54.A NH2 PRO 27.A O no hydrogen 3.080 N/A ARG 54.A NH2 ALA 51.A O no hydrogen 2.961 N/A LEU 61.A N LEU 58.A O no hydrogen 3.176 N/A ALA 62.A N ARG 35.A O no hydrogen 2.794 N/A ALA 63.A N ARG 35.A O no hydrogen 3.070 N/A LEU 64.A N GLN 87.A O no hydrogen 2.925 N/A ASN 65.A N LEU 37.A O no hydrogen 2.934 N/A LEU 66.A N ASP 89.A O no hydrogen 2.841 N/A SER 67.A N ASN 65.A OD1 no hydrogen 2.911 N/A SER 67.A OG SER 91.A O no hydrogen 3.294 N/A GLY 68.A N SER 91.A O no hydrogen 3.024 N/A SER 69.A N ASN 93.A OD1 no hydrogen 2.943 N/A SER 69.A OG LEU 39.A O no hydrogen 2.714 N/A LEU 71.A N ASN 93.A OD1 no hydrogen 2.940 N/A ASP 72.A N ALA 45.A O no hydrogen 2.738 N/A GLU 73.A N ALA 45.A O no hydrogen 3.153 N/A VAL 74.A N ASP 97.A O no hydrogen 2.841 N/A ARG 75.A N LEU 47.A O no hydrogen 2.941 N/A ARG 75.A NE GLU 73.A OE2 no hydrogen 2.663 N/A GLY 77.A N PHE 101.A O no hydrogen 3.145 N/A ALA 78.A N ARG 75.A O no hydrogen 3.211 N/A GLU 80.A N GLY 77.A O no hydrogen 3.098 N/A SER 84.A OG ALA 59.A O no hydrogen 2.659 N/A LEU 85.A N LEU 82.A O no hydrogen 3.212 N/A ARG 86.A N ALA 62.A O no hydrogen 2.874 N/A GLN 87.A N ALA 62.A O no hydrogen 2.969 N/A GLN 87.A NE2 GLU 112.A OE1 no hydrogen 3.016 N/A LEU 88.A N GLU 112.A O no hydrogen 2.987 N/A ASP 89.A N LEU 64.A O no hydrogen 2.989 N/A LEU 90.A N ILE 114.A O no hydrogen 2.950 N/A SER 91.A N ASP 89.A OD1 no hydrogen 2.910 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.778 N/A HIS 92.A N ASN 116.A O no hydrogen 2.907 N/A ASN 93.A ND2 LEU 66.A O no hydrogen 2.995 N/A ASN 93.A ND2 LEU 90.A O no hydrogen 2.814 N/A LEU 95.A N ILE 118.A O no hydrogen 2.863 N/A ALA 96.A N PRO 94.A O no hydrogen 2.972 N/A ASP 97.A N ASP 72.A O no hydrogen 3.075 N/A SER 99.A N VAL 74.A O no hydrogen 2.919 N/A PHE 101.A N SER 99.A OG no hydrogen 2.931 N/A ALA 102.A N SER 99.A O no hydrogen 3.007 N/A SER 108.A N ALA 138.A O no hydrogen 2.788 N/A LEU 110.A N SER 108.A OG no hydrogen 3.235 N/A VAL 111.A N ARG 86.A O no hydrogen 2.780 N/A GLU 112.A N ARG 86.A O no hydrogen 2.903 N/A LEU 113.A N ARG 144.A O no hydrogen 2.943 N/A ILE 114.A N LEU 88.A O no hydrogen 2.857 N/A LEU 115.A N GLU 146.A O no hydrogen 2.816 N/A ASN 116.A N SER 91.A OG no hydrogen 3.059 N/A ASN 116.A ND2 GLU 146.A OE1 no hydrogen 3.169 N/A HIS 117.A N ALA 148.A O no hydrogen 2.861 N/A HIS 117.A ND1 HIS 117.A O no hydrogen 2.980 N/A ILE 118.A N ASN 150.A OD1 no hydrogen 2.849 N/A GLY 127.A N SER 124.A OG no hydrogen 2.949 N/A MET 128.A N SER 124.A O no hydrogen 3.145 N/A VAL 129.A N PHE 125.A O no hydrogen 3.035 N/A VAL 130.A N GLU 126.A O no hydrogen 2.982 N/A ALA 131.A N GLY 127.A O no hydrogen 3.005 N/A ALA 132.A N MET 128.A O no hydrogen 3.279 N/A LEU 133.A N VAL 129.A O no hydrogen 2.989 N/A LEU 134.A N VAL 130.A O no hydrogen 3.012 N/A LEU 134.A N ALA 131.A O no hydrogen 3.312 N/A ALA 135.A N ALA 131.A O no hydrogen 2.995 N/A ARG 137.A N LEU 134.A O no hydrogen 3.081 N/A ALA 138.A N ALA 135.A O no hydrogen 3.158 N/A LEU 142.A N LEU 139.A O no hydrogen 3.228 N/A ARG 143.A N VAL 111.A O no hydrogen 2.796 N/A ARG 144.A N VAL 111.A O no hydrogen 2.999 N/A LEU 145.A N HIS 168.A O no hydrogen 2.984 N/A GLU 146.A N LEU 113.A O no hydrogen 3.021 N/A LEU 147.A N ASP 170.A O no hydrogen 2.783 N/A ALA 148.A N ASN 116.A OD1 no hydrogen 2.842 N/A SER 149.A N SER 172.A O no hydrogen 3.034 N/A ASN 150.A N ASN 174.A OD1 no hydrogen 2.830 N/A ASN 150.A ND2 LEU 115.A O no hydrogen 3.022 N/A PHE 152.A N ASN 174.A OD1 no hydrogen 3.022 N/A ARG 157.A NH1 TYR 181.A O no hydrogen 2.728 N/A VAL 159.A N PRO 156.A O no hydrogen 3.201 N/A ALA 161.A N ARG 157.A O no hydrogen 3.019 N/A GLN 162.A N ASP 158.A O no hydrogen 2.857 N/A LEU 163.A N VAL 159.A O no hydrogen 3.043 N/A SER 165.A OG GLN 140.A O no hydrogen 2.931 N/A LEU 166.A N LEU 163.A O no hydrogen 3.221 N/A ARG 167.A N ARG 143.A O no hydrogen 2.762 N/A ARG 167.A NH1 SER 165.A O no hydrogen 2.748 N/A HIS 168.A N ARG 143.A O no hydrogen 2.915 N/A HIS 168.A ND1 SER 192.A OG no hydrogen 2.709 N/A LEU 169.A N SER 192.A O no hydrogen 2.975 N/A ASP 170.A N LEU 145.A O no hydrogen 2.960 N/A LEU 171.A N HIS 194.A O no hydrogen 2.841 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.782 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.680 N/A ASN 173.A N GLU 196.A O no hydrogen 2.849 N/A ASN 173.A ND2 SER 149.A OG no hydrogen 2.803 N/A ASN 174.A ND2 LEU 147.A O no hydrogen 2.963 N/A ASN 174.A ND2 LEU 171.A O no hydrogen 3.025 N/A SER 175.A N PHE 152.A O no hydrogen 2.866 N/A LEU 176.A N ASN 198.A OD1 no hydrogen 3.052 N/A THR 180.A N SER 178.A OG no hydrogen 3.224 N/A THR 180.A OG1 SER 178.A OG no hydrogen 3.049 N/A VAL 182.A N LEU 179.A O no hydrogen 3.312 N/A PHE 184.A N GLU 210.A OE1 no hydrogen 3.002 N/A ARG 185.A N SER 183.A OG no hydrogen 3.062 N/A LEU 187.A N PHE 184.A O no hydrogen 3.333 N/A THR 188.A N ASN 186.A O no hydrogen 2.853 N/A HIS 189.A ND1 PRO 164.A O no hydrogen 3.191 N/A LEU 190.A N LEU 187.A O no hydrogen 2.982 N/A GLU 191.A N ARG 167.A O no hydrogen 2.763 N/A SER 192.A N ARG 167.A O no hydrogen 3.031 N/A SER 192.A OG HIS 168.A ND1 no hydrogen 2.709 N/A LEU 193.A N ARG 218.A O no hydrogen 2.905 N/A HIS 194.A N LEU 169.A O no hydrogen 3.039 N/A HIS 194.A ND1 GLU 196.A OE2 no hydrogen 2.830 N/A LEU 195.A N PHE 220.A O no hydrogen 2.869 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.687 N/A ASP 197.A N ASP 222.A O no hydrogen 2.932 N/A ASN 198.A ND2 LEU 171.A O no hydrogen 3.066 N/A ASN 198.A ND2 LEU 195.A O no hydrogen 3.059 N/A ASN 198.A ND2 GLU 196.A O no hydrogen 3.316 N/A ALA 199.A N LEU 176.A O no hydrogen 2.895 N/A LEU 200.A N ASN 224.A OD1 no hydrogen 3.149 N/A LYS 201.A NZ PRO 225.A O no hydrogen 2.890 N/A LEU 208.A N HIS 204.A O no hydrogen 3.156 N/A ALA 209.A N ASN 205.A O.A no hydrogen 2.916 N/A ALA 209.A N ASN 205.A O.B no hydrogen 2.936 N/A GLU 210.A N GLY 206.A O no hydrogen 3.042 N/A LEU 211.A N THR 207.A O no hydrogen 3.014 N/A GLN 212.A N LEU 208.A O no hydrogen 2.941 N/A GLY 213.A N ALA 209.A O no hydrogen 3.147 N/A GLY 213.A N GLU 210.A O no hydrogen 3.158 N/A LEU 214.A N LEU 211.A O no hydrogen 3.198 N/A ARG 218.A N GLU 191.A O no hydrogen 2.843 N/A VAL 219.A N VAL 244.A O no hydrogen 2.748 N/A PHE 220.A N LEU 193.A O no hydrogen 2.954 N/A ASN 224.A ND2 LEU 195.A O no hydrogen 3.087 N/A ASN 224.A ND2 LEU 221.A O no hydrogen 3.002 N/A TRP 226.A N ASN 224.A O no hydrogen 2.863 N/A VAL 227.A N LYS 201.A O no hydrogen 2.902 N/A CYS 228.A N TYR 255.A O no hydrogen 2.695 N/A HIS 231.A N ASP 229.A OD1 no hydrogen 3.010 N/A MET 232.A N ASP 229.A O no hydrogen 3.119 N/A ALA 233.A N CYS 230.A O no hydrogen 3.268 N/A VAL 236.A N MET 232.A O no hydrogen 2.958 N/A THR 237.A N ALA 233.A O no hydrogen 3.046 N/A THR 237.A OG1 ALA 233.A O no hydrogen 3.099 N/A TRP 238.A N ASP 234.A O no hydrogen 2.960 N/A TRP 238.A NE1 GLN 212.A OE1 no hydrogen 2.855 N/A LEU 239.A N MET 235.A O no hydrogen 2.836 N/A LYS 240.A N VAL 236.A O no hydrogen 3.147 N/A LYS 240.A NZ LEU 267.A O no hydrogen 2.788 N/A GLU 241.A N THR 237.A O no hydrogen 3.262 N/A GLU 241.A N TRP 238.A O no hydrogen 2.865 N/A THR 242.A N TRP 238.A O no hydrogen 2.777 N/A THR 242.A OG1 GLN 212.A OE1 no hydrogen 2.865 N/A VAL 244.A N THR 242.A OG1 no hydrogen 2.990 N/A GLN 246.A N VAL 219.A O no hydrogen 2.874 N/A GLN 246.A NE2 VAL 244.A O no hydrogen 3.390 N/A LYS 248.A NZ LEU 239.A O no hydrogen 2.718 N/A LYS 248.A NZ THR 242.A O no hydrogen 2.657 N/A ARG 250.A N GLY 247.A O no hydrogen 3.061 N/A ARG 250.A NE ASP 222.A OD2 no hydrogen 2.952 N/A ARG 250.A NH2 ASP 222.A OD2 no hydrogen 3.495 N/A LEU 251.A N LYS 248.A O no hydrogen 3.358 N/A CYS 253.A N ARG 262.A O no hydrogen 2.900 N/A CYS 253.A SG ARG 262.A O no hydrogen 3.643 N/A ALA 254.A N TRP 226.A O no hydrogen 2.809 N/A TYR 255.A N TRP 226.A O no hydrogen 3.280 N/A MET 259.A N PRO 256.A O no hydrogen 2.799 N/A ARG 260.A N GLU 257.A O no hydrogen 3.135 N/A ASN 261.A N CYS 253.A O no hydrogen 2.895 N/A ARG 262.A N MET 259.A O no hydrogen 2.968 N/A LEU 264.A N LEU 251.A O no hydrogen 2.976 N/A GLU 266.A N VAL 263.A O no hydrogen 3.062 N/A LEU 267.A N LEU 264.A O no hydrogen 3.038 N/A ASN 268.A N ASP 271.A OD2 no hydrogen 2.916 N/A ALA 270.A N ASN 268.A OD1 no hydrogen 2.878 N/A ASP 271.A N ASN 268.A O no hydrogen 2.992 N/A ASP 271.A N ASN 268.A OD1 no hydrogen 3.187 N/A LEU 272.A N SER 269.A O no hydrogen 3.096 N/A