Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3com_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ILE 16.A O no hydrogen 3.031 N/A LEU 5.A N LYS 14.A O no hydrogen 2.783 N/A LEU 8.A N VAL 12.A O no hydrogen 2.967 N/A SER 11.A N GLN 28.A O no hydrogen 3.010 N/A SER 11.A OG TYR 13.A OH no hydrogen 3.237 N/A TYR 13.A N ILE 26.A O no hydrogen 2.813 N/A TYR 13.A OH SER 11.A OG no hydrogen 3.237 N/A LYS 14.A N GLU 6.A O no hydrogen 3.146 N/A ALA 15.A N VAL 24.A O no hydrogen 2.978 N/A ILE 16.A N ASP 3.A O no hydrogen 3.163 N/A HIS 17.A N GLN 22.A O no hydrogen 2.966 N/A HIS 17.A ND1 THR 20.A OG1 no hydrogen 2.735 N/A LYS 18.A N VAL 1.A O no hydrogen 3.167 N/A THR 20.A N HIS 17.A O no hydrogen 2.782 N/A THR 20.A OG1 HIS 17.A ND1 no hydrogen 2.735 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.542 N/A GLY 21.A N HIS 17.A O no hydrogen 2.773 N/A GLN 22.A N THR 20.A OG1 no hydrogen 3.402 N/A VAL 24.A N ALA 15.A O no hydrogen 2.906 N/A ALA 25.A N MET 70.A O no hydrogen 2.934 N/A ILE 26.A N TYR 13.A O no hydrogen 2.813 N/A LYS 27.A N ILE 68.A O no hydrogen 2.924 N/A GLN 28.A N SER 11.A O no hydrogen 2.719 N/A VAL 29.A N LEU 66.A O no hydrogen 2.833 N/A VAL 31.A N THR 64.A O no hydrogen 2.964 N/A SER 33.A OG PRO 30.A O no hydrogen 3.024 N/A GLN 36.A N ASP 34.A OD1 no hydrogen 3.165 N/A GLN 36.A NE2 ASP 34.A OD2 no hydrogen 3.329 N/A ILE 39.A N LEU 35.A O no hydrogen 2.792 N/A LYS 40.A N GLN 36.A O no hydrogen 3.141 N/A GLU 41.A N GLU 37.A O no hydrogen 2.793 N/A ILE 42.A N ILE 38.A O no hydrogen 3.024 N/A SER 43.A N ILE 39.A O no hydrogen 3.033 N/A SER 43.A OG LYS 40.A O no hydrogen 3.221 N/A ILE 44.A N LYS 40.A O no hydrogen 2.953 N/A MET 45.A N GLU 41.A O no hydrogen 2.990 N/A GLN 46.A N ILE 42.A O no hydrogen 2.832 N/A GLN 47.A N ILE 44.A O no hydrogen 3.168 N/A GLN 47.A NE2 SER 43.A O no hydrogen 3.021 N/A CYS 48.A N MET 45.A O no hydrogen 3.032 N/A CYS 48.A SG ILE 44.A O no hydrogen 3.339 N/A ASP 49.A N TYR 107.A OH no hydrogen 2.881 N/A HIS 52.A N SER 50.A OG no hydrogen 3.246 N/A VAL 53.A N SER 50.A O no hydrogen 3.185 N/A VAL 54.A N LEU 133.A O no hydrogen 3.150 N/A LYS 55.A N GLU 71.A OE1 no hydrogen 3.035 N/A LYS 55.A NZ ASP 49.A OD2 no hydrogen 3.113 N/A TYR 56.A OH SER 59.A OG no hydrogen 2.577 N/A TYR 57.A N VAL 69.A O no hydrogen 2.719 N/A GLY 58.A N VAL 69.A O no hydrogen 3.404 N/A SER 59.A OG TYR 56.A OH no hydrogen 2.577 N/A TYR 60.A N TRP 67.A O no hydrogen 2.929 N/A LYS 62.A N ASP 65.A O no hydrogen 2.777 N/A ASP 65.A N LYS 62.A O no hydrogen 2.830 N/A LEU 66.A N VAL 29.A O no hydrogen 2.596 N/A TRP 67.A N TYR 60.A O no hydrogen 2.757 N/A ILE 68.A N LYS 27.A O no hydrogen 2.775 N/A VAL 69.A N GLY 58.A O no hydrogen 2.731 N/A MET 70.A N ALA 25.A O no hydrogen 2.843 N/A GLU 71.A N LYS 55.A O no hydrogen 2.817 N/A ALA 75.A N LEU 125.A O no hydrogen 3.042 N/A GLY 76.A N CYS 73.A O no hydrogen 3.143 N/A VAL 78.A N ILE 123.A O no hydrogen 3.072 N/A SER 79.A N ALA 120.A O no hydrogen 3.377 N/A ASP 80.A N SER 77.A OG no hydrogen 3.146 N/A ILE 81.A N SER 77.A O no hydrogen 3.084 N/A ILE 82.A N VAL 78.A O no hydrogen 3.094 N/A ARG 83.A N SER 79.A O no hydrogen 3.134 N/A LEU 84.A N ASP 80.A O no hydrogen 2.793 N/A ARG 85.A N ILE 81.A O no hydrogen 3.138 N/A ASN 86.A N ARG 83.A O no hydrogen 3.165 N/A LYS 87.A N ILE 82.A O no hydrogen 3.234 N/A THR 88.A OG1 ALA 184.A O no hydrogen 3.390 N/A LEU 89.A N MET 183.A O no hydrogen 2.951 N/A THR 90.A N GLU 93.A OE1 no hydrogen 2.861 N/A GLU 93.A N THR 90.A OG1 no hydrogen 3.391 N/A ILE 94.A N THR 90.A O no hydrogen 2.954 N/A ALA 95.A N GLU 91.A O no hydrogen 2.831 N/A THR 96.A N ASP 92.A O no hydrogen 3.031 N/A THR 96.A OG1 ASP 92.A O no hydrogen 2.975 N/A THR 96.A OG1 LYS 251.A O no hydrogen 3.024 N/A ILE 97.A N GLU 93.A O no hydrogen 3.062 N/A LEU 98.A N ILE 94.A O no hydrogen 2.927 N/A GLN 99.A N ALA 95.A O no hydrogen 3.042 N/A GLN 99.A NE2 VAL 247.A O no hydrogen 3.015 N/A SER 100.A N THR 96.A O no hydrogen 3.493 N/A THR 101.A N ILE 97.A O no hydrogen 3.149 N/A THR 101.A OG1 ILE 97.A O no hydrogen 2.963 N/A LEU 102.A N LEU 98.A O no hydrogen 2.859 N/A LYS 103.A N GLN 99.A O no hydrogen 3.207 N/A GLY 104.A N SER 100.A O no hydrogen 3.032 N/A LEU 105.A N THR 101.A O no hydrogen 2.907 N/A GLU 106.A N LEU 102.A O no hydrogen 2.808 N/A TYR 107.A N LYS 103.A O no hydrogen 3.134 N/A LEU 108.A N GLY 104.A O no hydrogen 2.973 N/A HIS 109.A N LEU 105.A O no hydrogen 2.768 N/A HIS 109.A NE2 ASP 172.A OD1 no hydrogen 2.928 N/A PHE 110.A N GLU 106.A O no hydrogen 2.954 N/A MET 111.A N TYR 107.A O no hydrogen 3.001 N/A ARG 112.A N HIS 109.A O no hydrogen 3.028 N/A ARG 112.A NH1 ASP 144.A OD1 no hydrogen 3.043 N/A LYS 113.A N LEU 108.A O no hydrogen 2.993 N/A LYS 113.A NZ GLN 47.A OE1 no hydrogen 2.799 N/A LYS 113.A NZ GLN 141.A OE1 no hydrogen 2.774 N/A ILE 114.A N GLY 140.A O no hydrogen 2.931 N/A HIS 115.A N ASP 172.A OD1 no hydrogen 2.968 N/A HIS 115.A NE2 ALA 134.A O no hydrogen 2.793 N/A ARG 116.A N ASP 172.A OD2 no hydrogen 2.879 N/A ARG 116.A NE VAL 138.A O no hydrogen 2.743 N/A ARG 116.A NH1 TYR 167.A OH no hydrogen 2.902 N/A ARG 116.A NH2 VAL 138.A O no hydrogen 3.141 N/A ASP 117.A N HIS 115.A ND1 no hydrogen 2.945 N/A ALA 120.A N GLU 182.A OE2 no hydrogen 2.992 N/A ASN 122.A N LYS 119.A O no hydrogen 2.965 N/A ASN 122.A ND2 ASP 117.A O no hydrogen 2.773 N/A ASN 122.A ND2 ASP 117.A OD2 no hydrogen 3.266 N/A ILE 123.A N ALA 120.A O no hydrogen 3.470 N/A LEU 124.A N LYS 132.A O no hydrogen 2.815 N/A LEU 125.A N GLY 76.A O no hydrogen 2.920 N/A ASN 126.A N HIS 130.A O no hydrogen 3.098 N/A GLY 129.A N ASN 126.A O no hydrogen 2.810 N/A HIS 130.A N ASN 126.A OD1 no hydrogen 2.912 N/A LYS 132.A N LEU 124.A O no hydrogen 2.844 N/A LYS 132.A NZ PRO 51.A O no hydrogen 2.969 N/A LYS 132.A NZ GLU 71.A OE2 no hydrogen 2.672 N/A LEU 133.A N HIS 52.A O no hydrogen 2.824 N/A ALA 134.A N ASN 122.A O no hydrogen 2.895 N/A ALA 139.A N PHE 136.A O no hydrogen 3.134 N/A GLY 140.A N ILE 114.A O no hydrogen 2.761 N/A GLN 141.A NE2 MET 111.A O no hydrogen 3.374 N/A GLN 141.A NE2 LEU 142.A O no hydrogen 2.951 N/A LEU 142.A N ARG 112.A O no hydrogen 2.810 N/A THR 143.A N MET 145.A O no hydrogen 2.883 N/A ARG 148.A N TYR 167.A O no hydrogen 2.942 N/A ARG 148.A NH2 GLN 141.A O no hydrogen 3.009 N/A THR 153.A OG1 ASP 117.A OD1 no hydrogen 2.503 N/A TRP 156.A N THR 153.A O no hydrogen 2.940 N/A TRP 156.A NE1 GLU 182.A OE2 no hydrogen 2.898 N/A MET 157.A N PRO 154.A O no hydrogen 3.305 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.679 N/A VAL 161.A N ALA 158.A O no hydrogen 3.047 N/A ILE 162.A N ALA 158.A O no hydrogen 3.322 N/A GLN 163.A N PRO 159.A O no hydrogen 2.894 N/A TYR 167.A N ARG 148.A O no hydrogen 2.794 N/A CYS 169.A SG LYS 113.A O no hydrogen 3.886 N/A VAL 170.A N ASN 168.A OD1 no hydrogen 3.243 N/A ALA 171.A N ASN 168.A O no hydrogen 3.235 N/A ASP 172.A N CYS 169.A O no hydrogen 2.977 N/A ILE 173.A N VAL 170.A O no hydrogen 3.070 N/A TRP 174.A N VAL 170.A O no hydrogen 3.460 N/A SER 175.A N ALA 171.A O no hydrogen 3.247 N/A SER 175.A OG TRP 156.A O no hydrogen 2.674 N/A SER 175.A OG ALA 171.A O no hydrogen 3.369 N/A LEU 176.A N ASP 172.A O no hydrogen 2.894 N/A GLY 177.A N ILE 173.A O no hydrogen 3.199 N/A ILE 178.A N TRP 174.A O no hydrogen 3.172 N/A THR 179.A N SER 175.A O no hydrogen 2.911 N/A THR 179.A OG1 SER 175.A O no hydrogen 2.915 N/A ALA 180.A N LEU 176.A O no hydrogen 2.856 N/A ILE 181.A N GLY 177.A O no hydrogen 3.170 N/A GLU 182.A N ILE 178.A O no hydrogen 2.884 N/A MET 183.A N THR 179.A O no hydrogen 2.927 N/A ALA 184.A N ALA 180.A O no hydrogen 3.230 N/A ALA 184.A N ILE 181.A O no hydrogen 3.101 N/A GLU 185.A N ILE 181.A O no hydrogen 2.871 N/A GLY 186.A N GLU 182.A O no hydrogen 2.733 N/A LYS 187.A NZ ASP 192.A OD2 no hydrogen 2.587 N/A ALA 191.A N PRO 188.A O no hydrogen 3.294 N/A ILE 193.A N TYR 190.A O no hydrogen 3.021 N/A MET 196.A N HIS 194.A ND1 no hydrogen 3.183 N/A ARG 197.A N HIS 194.A O no hydrogen 2.780 N/A ALA 198.A N HIS 194.A O no hydrogen 2.838 N/A ILE 199.A N PRO 195.A O no hydrogen 3.187 N/A PHE 200.A N ARG 197.A O no hydrogen 3.293 N/A MET 201.A N ALA 198.A O no hydrogen 2.930 N/A ILE 202.A N ALA 198.A O no hydrogen 3.111 N/A THR 204.A N MET 201.A O no hydrogen 3.057 N/A THR 204.A OG1 MET 201.A O no hydrogen 3.247 N/A ASN 205.A N MET 201.A O no hydrogen 2.894 N/A ARG 211.A N GLU 185.A OE2 no hydrogen 2.556 N/A ARG 211.A NH1 PRO 188.A O no hydrogen 2.914 N/A ARG 211.A NH2 GLU 185.A OE1 no hydrogen 2.624 N/A ARG 211.A NH2 LYS 187.A O no hydrogen 2.903 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.986 N/A LEU 215.A N LYS 212.A O no hydrogen 3.049 N/A TRP 216.A N PRO 213.A O no hydrogen 3.386 N/A SER 217.A N GLU 91.A OE1 no hydrogen 2.715 N/A SER 217.A OG GLU 91.A OE1 no hydrogen 3.312 N/A SER 217.A OG GLU 91.A OE2 no hydrogen 2.543 N/A PHE 220.A N SER 217.A OG no hydrogen 3.156 N/A THR 221.A N SER 217.A O no hydrogen 2.976 N/A THR 221.A OG1 SER 217.A O no hydrogen 2.784 N/A ASP 222.A N ASP 218.A O no hydrogen 2.839 N/A PHE 223.A N ASN 219.A O no hydrogen 2.871 N/A VAL 224.A N PHE 220.A O no hydrogen 3.126 N/A LYS 225.A N THR 221.A O no hydrogen 3.214 N/A GLN 226.A N ASP 222.A O no hydrogen 3.064 N/A GLN 226.A NE2 ASP 222.A OD1 no hydrogen 3.089 N/A CYS 227.A N PHE 223.A O no hydrogen 3.236 N/A CYS 227.A SG PHE 223.A O no hydrogen 3.424 N/A LEU 228.A N VAL 224.A O no hydrogen 3.031 N/A LYS 230.A NZ PRO 203.A O no hydrogen 2.785 N/A LYS 230.A NZ ASN 205.A O no hydrogen 2.712 N/A SER 231.A OG GLU 233.A OE1 no hydrogen 3.550 N/A SER 231.A OG GLN 234.A OE1 no hydrogen 3.558 N/A GLN 234.A N SER 231.A O no hydrogen 3.138 N/A ARG 235.A N SER 231.A O no hydrogen 3.080 N/A ARG 235.A NE VAL 229.A O no hydrogen 2.852 N/A ARG 235.A NH1 GLU 160.A OE2 no hydrogen 3.124 N/A ARG 235.A NH1 VAL 229.A O no hydrogen 2.911 N/A ARG 235.A NH2 GLU 160.A OE1 no hydrogen 2.719 N/A ARG 235.A NH2 VAL 170.A O no hydrogen 2.863 N/A THR 237.A N GLN 240.A OE1 no hydrogen 3.002 N/A THR 239.A OG1 GLU 106.A OE1 no hydrogen 2.563 N/A GLN 240.A N THR 237.A OG1 no hydrogen 3.258 N/A LEU 241.A N THR 237.A O no hydrogen 3.059 N/A LEU 242.A N ALA 238.A O no hydrogen 3.019 N/A GLN 243.A N GLN 240.A O no hydrogen 3.093 N/A HIS 244.A N LEU 241.A O no hydrogen 3.018 N/A HIS 244.A NE2 ASP 222.A OD2 no hydrogen 2.857 N/A PHE 246.A N HIS 244.A ND1 no hydrogen 2.919 N/A VAL 247.A N HIS 244.A O no hydrogen 2.789 N/A ARG 248.A N HIS 244.A O no hydrogen 2.818 N/A ARG 248.A NH2 GLN 243.A O no hydrogen 2.762 N/A SER 249.A OG PRO 245.A O no hydrogen 3.202 N/A ALA 250.A N VAL 247.A O no hydrogen 2.966 N/A LYS 251.A NZ ASP 92.A OD2 no hydrogen 2.751 N/A ILE 255.A N GLY 252.A O no hydrogen 3.200 N/A LEU 256.A N VAL 253.A O no hydrogen 2.991 N/A ARG 257.A N SER 254.A O no hydrogen 3.090 N/A ILE 260.A N LEU 256.A O no hydrogen 2.929 N/A ASN 261.A N ARG 257.A O no hydrogen 3.011 N/A ASN 261.A ND2 ARG 257.A O no hydrogen 3.186 N/A GLU 262.A N ASP 258.A O no hydrogen 2.905 N/A ALA 263.A N LEU 259.A O no hydrogen 3.093 N/A MET 264.A N ILE 260.A O no hydrogen 2.765 N/A