Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pcm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 79.A OD1 no hydrogen 3.350 N/A VAL 2.A N ASN 78.A O no hydrogen 3.114 N/A LEU 3.A N GLU 107.A O no hydrogen 2.798 N/A TYR 4.A N VAL 80.A O no hydrogen 2.649 N/A PHE 5.A N TYR 109.A O no hydrogen 2.827 N/A ILE 6.A N PHE 82.A O no hydrogen 2.936 N/A GLY 7.A N ILE 111.A O no hydrogen 3.108 N/A LEU 8.A N THR 84.A O no hydrogen 2.763 N/A GLY 9.A N GLY 86.A O no hydrogen 3.351 N/A TYR 11.A N ASP 15.A OD2 no hydrogen 2.735 N/A ASP 12.A N ASP 15.A OD2 no hydrogen 2.760 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.689 N/A ARG 14.A N ASP 12.A OD1 no hydrogen 2.683 N/A ASP 15.A N ASP 12.A O no hydrogen 3.027 N/A GLY 20.A N THR 17.A OG1 no hydrogen 3.118 N/A LEU 21.A N THR 17.A O no hydrogen 2.980 N/A GLU 22.A N VAL 18.A O no hydrogen 2.951 N/A ILE 23.A N LYS 19.A O no hydrogen 3.164 N/A ALA 24.A N GLY 20.A O no hydrogen 2.891 N/A LYS 25.A N LEU 21.A O no hydrogen 2.962 N/A LYS 26.A N ILE 23.A O no hydrogen 3.008 N/A CYS 27.A N ALA 24.A O no hydrogen 3.304 N/A CYS 27.A SG ILE 23.A O no hydrogen 3.333 N/A ASP 28.A N ASP 79.A O no hydrogen 2.799 N/A TYR 29.A N ASP 79.A O no hydrogen 3.444 N/A PHE 31.A N ALA 81.A O no hydrogen 2.730 N/A ALA 32.A N ARG 56.A O no hydrogen 3.190 N/A GLU 33.A N LEU 83.A O no hydrogen 3.003 N/A TYR 35.A N GLU 33.A OE1 no hydrogen 2.854 N/A THR 36.A N GLU 33.A OE1 no hydrogen 3.010 N/A THR 36.A OG1 GLU 33.A OE1 no hydrogen 3.245 N/A THR 36.A OG1 GLU 33.A OE2 no hydrogen 2.482 N/A GLY 41.A N TYR 11.A O no hydrogen 3.143 N/A THR 42.A N MET 39.A O no hydrogen 3.517 N/A THR 42.A OG1 GLU 13.A OE1 no hydrogen 2.597 N/A THR 42.A OG1 THR 43.A O no hydrogen 2.864 N/A THR 43.A N THR 42.A OG1 no hydrogen 2.423 N/A ARG 46.A N THR 43.A OG1 no hydrogen 3.388 N/A ARG 46.A NH1 GLU 13.A OE2 no hydrogen 3.040 N/A GLN 48.A N LEU 44.A O no hydrogen 2.708 N/A LYS 49.A N GLY 45.A O no hydrogen 2.669 N/A MET 50.A N ARG 46.A O no hydrogen 2.690 N/A ILE 51.A N ILE 47.A O no hydrogen 2.736 N/A GLY 52.A N GLN 48.A O no hydrogen 2.553 N/A LYS 53.A NZ CYS 27.A O no hydrogen 2.668 N/A ILE 55.A N GLN 48.A OE1 no hydrogen 2.677 N/A ARG 56.A N VAL 30.A O no hydrogen 3.115 N/A LEU 58.A N ALA 32.A O no hydrogen 2.742 N/A SER 59.A N ASP 62.A OD2 no hydrogen 2.880 N/A ARG 60.A NH1 GLU 64.A OE2 no hydrogen 3.008 N/A ASP 62.A N SER 59.A OG no hydrogen 3.103 N/A VAL 63.A N SER 59.A O no hydrogen 3.045 N/A GLU 64.A N ARG 60.A O no hydrogen 2.785 N/A LEU 65.A N GLU 61.A O no hydrogen 2.951 N/A ASN 66.A N ASP 62.A O no hydrogen 2.879 N/A ASN 66.A ND2 ASN 69.A OD1 no hydrogen 2.682 N/A PHE 67.A N VAL 63.A O no hydrogen 3.230 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.528 N/A ASN 69.A N ASN 66.A O no hydrogen 2.746 N/A ILE 70.A N ASN 66.A O no hydrogen 2.736 N/A VAL 71.A N PHE 67.A O no hydrogen 2.920 N/A LEU 72.A N PHE 67.A O no hydrogen 3.276 N/A LEU 74.A N VAL 71.A O no hydrogen 3.105 N/A ALA 75.A N VAL 71.A O no hydrogen 3.470 N/A LYS 76.A N PRO 73.A O no hydrogen 3.322 N/A LYS 76.A NZ GLY 105.A O no hydrogen 3.357 N/A GLU 77.A N LEU 74.A O no hydrogen 3.194 N/A ASN 78.A ND2 LEU 74.A O no hydrogen 2.994 N/A ASP 79.A N ASP 28.A OD2 no hydrogen 2.937 N/A VAL 80.A N VAL 2.A O no hydrogen 2.727 N/A ALA 81.A N TYR 29.A O no hydrogen 2.987 N/A PHE 82.A N TYR 4.A O no hydrogen 2.726 N/A LEU 83.A N PHE 31.A O no hydrogen 2.697 N/A THR 84.A N ILE 6.A O no hydrogen 3.158 N/A THR 84.A OG1 PRO 85.A O no hydrogen 3.295 N/A GLY 86.A N GLY 9.A O no hydrogen 2.691 N/A LEU 89.A N ASP 87.A OD1 no hydrogen 2.842 N/A VAL 90.A N ASP 87.A O no hydrogen 3.245 N/A THR 92.A OG1 PRO 88.A O no hydrogen 2.799 N/A HIS 94.A N THR 92.A OG1 no hydrogen 3.093 N/A HIS 94.A NE2 GLU 33.A OE2 no hydrogen 2.861 N/A GLU 96.A N THR 93.A O no hydrogen 3.196 N/A LEU 97.A N HIS 94.A O no hydrogen 2.985 N/A ARG 98.A N ALA 95.A O no hydrogen 3.001 N/A ARG 98.A NE SER 108.A OG no hydrogen 2.972 N/A ARG 98.A NH2 SER 108.A O no hydrogen 2.862 N/A ARG 98.A NH2 SER 108.A OG no hydrogen 3.365 N/A ILE 99.A N GLU 96.A O no hydrogen 2.991 N/A ARG 100.A N GLU 96.A O no hydrogen 3.291 N/A ARG 100.A NE GLU 96.A OE1 no hydrogen 2.976 N/A ARG 100.A NE GLU 96.A OE2 no hydrogen 3.084 N/A ARG 100.A NH1 VAL 63.A O no hydrogen 3.359 N/A ARG 100.A NH1 GLU 64.A O no hydrogen 3.453 N/A ARG 100.A NH1 GLU 68.A OE1 no hydrogen 2.790 N/A ARG 100.A NH2 GLU 64.A O no hydrogen 3.015 N/A ARG 100.A NH2 GLU 96.A OE1 no hydrogen 3.080 N/A ALA 101.A N LEU 97.A O no hydrogen 2.943 N/A LYS 102.A N ARG 98.A O no hydrogen 2.920 N/A ARG 103.A N ILE 99.A O no hydrogen 2.887 N/A ALA 104.A N ARG 100.A O no hydrogen 3.035 N/A ALA 104.A N ALA 101.A O no hydrogen 3.182 N/A GLY 105.A N LYS 102.A O no hydrogen 2.651 N/A VAL 106.A N ALA 101.A O no hydrogen 2.785 N/A TYR 109.A N LEU 3.A O no hydrogen 2.879 N/A ILE 111.A N PHE 5.A O no hydrogen 2.770 N/A HIS 112.A ND1 ASP 87.A OD2 no hydrogen 2.830 N/A TYR 117.A N SER 115.A OG no hydrogen 3.062 N/A SER 118.A N SER 115.A O no hydrogen 3.144 N/A SER 118.A OG SER 115.A O no hydrogen 3.529 N/A ALA 119.A N SER 115.A O no hydrogen 3.039 N/A GLY 121.A N SER 118.A O no hydrogen 3.130 N/A ILE 122.A N ALA 119.A O no hydrogen 2.920 N/A THR 123.A N VAL 120.A O no hydrogen 2.904 N/A THR 123.A OG1 VAL 120.A O no hydrogen 2.418 N/A GLY 124.A N GLY 121.A O no hydrogen 3.091 N/A HIS 126.A N GLU 246.A OE2 no hydrogen 2.775 N/A LYS 129.A N HIS 126.A O no hydrogen 2.959 N/A LYS 129.A NZ LYS 241.A O no hydrogen 2.594 N/A LYS 129.A NZ HIS 243.A ND1 no hydrogen 2.824 N/A LYS 129.A NZ GLU 246.A OE1 no hydrogen 2.848 N/A PHE 130.A N ILE 127.A O no hydrogen 3.426 N/A GLY 131.A N HIS 161.A O no hydrogen 2.897 N/A LYS 132.A N ASN 155.A OD1 no hydrogen 3.090 N/A ALA 134.A N LEU 163.A O no hydrogen 3.137 N/A VAL 136.A N PHE 165.A O no hydrogen 3.005 N/A TYR 138.A N ASP 167.A OD2 no hydrogen 2.722 N/A GLU 140.A N TRP 143.A O no hydrogen 2.819 N/A TRP 143.A N GLU 140.A O no hydrogen 2.764 N/A TYR 149.A N THR 146.A O no hydrogen 2.830 N/A TYR 149.A OH GLU 189.A OE1 no hydrogen 2.390 N/A ASP 150.A N SER 147.A O no hydrogen 3.015 N/A VAL 151.A N SER 147.A O no hydrogen 3.209 N/A ILE 152.A N TYR 148.A O no hydrogen 3.445 N/A LYS 153.A N TYR 149.A O no hydrogen 3.229 N/A GLU 154.A N ASP 150.A O no hydrogen 2.871 N/A ASN 155.A N VAL 151.A O no hydrogen 2.941 N/A ASN 155.A ND2 LYS 132.A O no hydrogen 2.656 N/A ASN 155.A ND2 THR 162.A OG1 no hydrogen 2.974 N/A ALA 156.A N ILE 152.A O no hydrogen 2.828 N/A GLU 157.A N LYS 153.A O no hydrogen 2.976 N/A ARG 158.A N ASN 155.A O no hydrogen 2.938 N/A GLY 159.A N ALA 156.A O no hydrogen 2.812 N/A LEU 160.A N ASN 155.A O no hydrogen 2.769 N/A HIS 161.A N LYS 129.A O no hydrogen 2.822 N/A HIS 161.A NE2 GLU 246.A OE2 no hydrogen 2.836 N/A THR 162.A N VAL 238.A O no hydrogen 2.953 N/A LEU 164.A N LEU 236.A O no hydrogen 2.802 N/A PHE 165.A N ALA 134.A O no hydrogen 2.774 N/A ASP 167.A N VAL 136.A O no hydrogen 3.241 N/A ILE 168.A N ASP 167.A OD1 no hydrogen 2.775 N/A LYS 169.A N MET 174.A O no hydrogen 2.874 N/A LYS 172.A N LYS 169.A O no hydrogen 2.965 N/A ARG 173.A N ALA 170.A O no hydrogen 2.917 N/A MET 174.A N LYS 169.A O no hydrogen 2.985 N/A MET 176.A N ASP 167.A O no hydrogen 3.200 N/A THR 177.A N GLU 180.A OE1 no hydrogen 2.851 N/A THR 177.A OG1 ASN 179.A OD1 no hydrogen 3.545 N/A ALA 178.A N HIS 234.A ND1 no hydrogen 3.171 N/A ASN 179.A ND2 ILE 225.A O no hydrogen 3.145 N/A ASN 179.A ND2 GLU 227.A O no hydrogen 2.667 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.128 N/A ALA 181.A N THR 177.A O no hydrogen 3.067 N/A MET 182.A N ALA 178.A O no hydrogen 2.963 N/A GLU 183.A N ASN 179.A O no hydrogen 2.997 N/A LEU 184.A N GLU 180.A O no hydrogen 3.037 N/A LEU 185.A N ALA 181.A O no hydrogen 2.990 N/A LEU 186.A N MET 182.A O no hydrogen 2.995 N/A LYS 187.A N GLU 183.A O no hydrogen 3.010 N/A VAL 188.A N LEU 184.A O no hydrogen 2.936 N/A GLU 189.A N LEU 185.A O no hydrogen 2.789 N/A ASP 190.A N LEU 186.A O no hydrogen 2.769 N/A MET 191.A N LYS 187.A O no hydrogen 3.158 N/A MET 191.A N VAL 188.A O no hydrogen 3.221 N/A LYS 192.A N VAL 188.A O no hydrogen 2.847 N/A LYS 193.A N GLU 189.A O no hydrogen 2.665 N/A LYS 193.A NZ ASP 190.A O no hydrogen 3.556 N/A GLY 194.A N TYR 149.A OH no hydrogen 2.970 N/A GLY 195.A N GLU 189.A OE2 no hydrogen 2.855 N/A VAL 196.A N GLU 189.A OE1 no hydrogen 2.940 N/A PHE 197.A N GLU 189.A OE1 no hydrogen 3.097 N/A THR 198.A N THR 201.A OG1 no hydrogen 2.786 N/A ASP 200.A N THR 198.A OG1 no hydrogen 2.975 N/A THR 201.A N THR 198.A O no hydrogen 3.099 N/A THR 201.A OG1 THR 198.A O no hydrogen 3.374 N/A VAL 203.A N GLY 219.A O no hydrogen 2.827 N/A VAL 204.A N ILE 237.A O no hydrogen 2.867 N/A VAL 205.A N ARG 217.A O no hydrogen 2.761 N/A LEU 206.A N ILE 235.A O no hydrogen 3.390 N/A ALA 207.A N THR 215.A O no hydrogen 2.897 N/A ARG 208.A N PRO 233.A O no hydrogen 3.036 N/A ARG 208.A NH1 PHE 229.A O no hydrogen 2.913 N/A ARG 208.A NH1 ASP 231.A O no hydrogen 2.911 N/A ARG 208.A NH2 THR 215.A OG1 no hydrogen 2.745 N/A SER 211.A N ARG 208.A O no hydrogen 3.222 N/A SER 211.A OG ARG 208.A O no hydrogen 3.198 N/A THR 215.A N ALA 207.A O no hydrogen 3.024 N/A THR 215.A OG1 PHE 229.A O no hydrogen 3.267 N/A ARG 217.A N VAL 205.A O no hydrogen 3.009 N/A ARG 217.A NE GLU 227.A OE2 no hydrogen 2.592 N/A ARG 217.A NH1 ALA 218.A O no hydrogen 3.018 N/A ARG 217.A NH1 ALA 254.A O no hydrogen 2.867 N/A ARG 217.A NH2 GLU 227.A OE1 no hydrogen 2.896 N/A ALA 218.A N ALA 254.A O no hydrogen 3.110 N/A GLY 219.A N VAL 203.A O no hydrogen 3.070 N/A VAL 221.A N THR 201.A O no hydrogen 2.968 N/A LYS 222.A N ASP 199.A O no hydrogen 3.012 N/A LYS 222.A NZ ASP 200.A OD1 no hydrogen 3.448 N/A ASP 223.A N TYR 220.A O no hydrogen 2.981 N/A LEU 224.A N TYR 220.A O no hydrogen 3.002 N/A ILE 225.A N VAL 221.A O no hydrogen 2.809 N/A GLU 227.A N LEU 224.A O no hydrogen 2.957 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 3.177 N/A HIS 234.A NE2 GLY 230.A O no hydrogen 2.937 N/A HIS 234.A NE2 ASP 231.A O no hydrogen 3.123 N/A ILE 235.A N LEU 206.A O no hydrogen 3.155 N/A LEU 236.A N LEU 164.A O no hydrogen 3.183 N/A ILE 237.A N VAL 204.A O no hydrogen 2.836 N/A VAL 238.A N THR 162.A O no hydrogen 3.041 N/A GLY 240.A N HIS 161.A ND1 no hydrogen 2.941 N/A LYS 241.A N GLY 159.A O no hydrogen 3.400 N/A HIS 243.A N GLU 246.A OE1 no hydrogen 2.701 N/A GLU 246.A N HIS 243.A O no hydrogen 3.055 N/A ALA 247.A N HIS 243.A O no hydrogen 3.212 N/A GLU 248.A N ILE 244.A O no hydrogen 3.071 N/A TYR 249.A N VAL 245.A O no hydrogen 3.044 N/A TYR 249.A OH ILE 122.A O no hydrogen 2.650 N/A LEU 250.A N GLU 246.A O no hydrogen 2.869 N/A VAL 251.A N ALA 247.A O no hydrogen 2.925 N/A GLU 252.A N GLU 248.A O no hydrogen 2.837 N/A ILE 253.A N TYR 249.A O no hydrogen 2.652 N/A ALA 254.A N LEU 250.A O no hydrogen 2.900 N/A ALA 256.A N LEU 250.A O no hydrogen 3.151 N/A ILE 260.A N PRO 257.A O no hydrogen 2.899 N/A LEU 261.A N ARG 258.A O no hydrogen 2.779 N/A ARG 262.A N GLU 259.A O no hydrogen 3.215 N/A