Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gpc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 8.A OE2 no hydrogen 2.737 N/A GLY 4.A N ALA 1.A O no hydrogen 3.412 N/A ALA 6.A N ASN 178.A OD1 no hydrogen 2.923 N/A GLU 8.A N GLY 4.A O no hydrogen 3.048 N/A LEU 9.A N LEU 5.A O no hydrogen 2.761 N/A LYS 10.A N ALA 6.A O no hydrogen 3.195 N/A GLN 11.A N VAL 7.A O no hydrogen 3.071 N/A SER 12.A N GLU 8.A O no hydrogen 2.797 N/A THR 13.A N LEU 9.A O no hydrogen 3.041 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.642 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.566 N/A ALA 14.A N GLN 11.A O no hydrogen 3.229 N/A HIS 17.A N THR 13.A O no hydrogen 2.821 N/A GLU 18.A N ALA 14.A O no hydrogen 2.926 N/A LYS 19.A N GLN 15.A O no hydrogen 3.169 N/A ALA 20.A N ALA 16.A O no hydrogen 3.039 N/A GLU 21.A N HIS 17.A O no hydrogen 2.894 N/A HIS 22.A N GLU 18.A O no hydrogen 3.081 N/A HIS 22.A ND1 GLU 18.A O no hydrogen 2.991 N/A SER 23.A N ALA 20.A O no hydrogen 3.235 N/A SER 23.A OG ALA 20.A O no hydrogen 3.284 N/A SER 27.A N SER 23.A O no hydrogen 2.890 N/A ASP 28.A N THR 24.A O no hydrogen 2.824 N/A LEU 29.A N PHE 25.A O no hydrogen 2.900 N/A LEU 30.A N MET 26.A O no hydrogen 2.922 N/A LYS 31.A N SER 27.A O no hydrogen 3.155 N/A GLY 32.A N LEU 29.A O no hydrogen 3.290 N/A ARG 33.A N ASP 28.A O no hydrogen 2.943 N/A ARG 33.A NH1 ASP 28.A OD1 no hydrogen 3.342 N/A LEU 34.A N TYR 148.A OH no hydrogen 2.952 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.817 N/A PHE 39.A N GLY 35.A O no hydrogen 3.123 N/A THR 40.A N VAL 36.A O no hydrogen 2.749 N/A THR 40.A OG1 VAL 36.A O no hydrogen 2.735 N/A ARG 41.A N ALA 37.A O no hydrogen 2.979 N/A ARG 41.A NE GLU 44.A OE1 no hydrogen 2.782 N/A ARG 41.A NH2 GLU 44.A OE2 no hydrogen 2.842 N/A LEU 42.A N GLU 38.A O no hydrogen 3.048 N/A GLN 43.A N PHE 39.A O no hydrogen 2.948 N/A GLU 44.A N THR 40.A O no hydrogen 2.867 N/A GLN 45.A N ARG 41.A O no hydrogen 3.095 N/A GLN 45.A NE2 THR 98.A O no hydrogen 2.983 N/A ALA 46.A N LEU 42.A O no hydrogen 2.762 N/A TRP 47.A N GLN 43.A O no hydrogen 2.793 N/A LEU 48.A N GLU 44.A O no hydrogen 3.294 N/A PHE 49.A N GLN 45.A O no hydrogen 3.103 N/A TYR 50.A N ALA 46.A O no hydrogen 2.731 N/A TYR 50.A OH ASP 133.A OD1 no hydrogen 2.410 N/A THR 51.A N TRP 47.A O no hydrogen 2.971 N/A THR 51.A OG1 TRP 47.A O no hydrogen 2.777 N/A ALA 52.A N LEU 48.A O no hydrogen 3.313 N/A LEU 53.A N PHE 49.A O no hydrogen 2.786 N/A GLU 54.A N TYR 50.A O no hydrogen 2.807 N/A GLN 55.A N THR 51.A O no hydrogen 3.266 N/A ALA 56.A N ALA 52.A O no hydrogen 3.161 N/A VAL 57.A N LEU 53.A O no hydrogen 2.859 N/A ASP 58.A N GLU 54.A O no hydrogen 2.969 N/A ALA 59.A N GLN 55.A O no hydrogen 3.025 N/A VAL 60.A N ALA 56.A O no hydrogen 2.962 N/A ARG 61.A N VAL 57.A O no hydrogen 2.809 N/A ARG 61.A NE LEU 70.A O no hydrogen 2.774 N/A ARG 61.A NH1 ASP 58.A OD1 no hydrogen 2.882 N/A ARG 61.A NH2 LEU 70.A O no hydrogen 2.991 N/A ALA 62.A N ASP 58.A O no hydrogen 3.038 N/A SER 63.A N ALA 59.A O no hydrogen 3.192 N/A SER 63.A N VAL 60.A O no hydrogen 3.122 N/A SER 63.A OG VAL 60.A O no hydrogen 2.631 N/A GLY 64.A N ARG 61.A O no hydrogen 2.977 N/A PHE 65.A N VAL 60.A O no hydrogen 3.467 N/A LEU 70.A N ALA 66.A O no hydrogen 3.106 N/A LEU 70.A N GLU 67.A O no hydrogen 3.138 N/A ALA 73.A N ASP 71.A OD1 no hydrogen 2.875 N/A LEU 74.A N ASP 71.A O no hydrogen 2.982 N/A ASN 75.A N PRO 72.A O no hydrogen 3.074 N/A ARG 76.A N GLU 54.A OE1 no hydrogen 3.219 N/A ARG 76.A N GLU 54.A OE2 no hydrogen 2.681 N/A ARG 76.A NE LEU 74.A O no hydrogen 2.857 N/A ARG 76.A NE ASN 75.A O no hydrogen 3.133 N/A ARG 76.A NH1 PHE 157.A O no hydrogen 2.721 N/A ARG 76.A NH2 ALA 73.A O no hydrogen 3.360 N/A ARG 76.A NH2 ASN 75.A O no hydrogen 3.071 N/A ALA 77.A N GLU 54.A OE1 no hydrogen 3.031 N/A LEU 80.A N ARG 76.A O no hydrogen 2.793 N/A ALA 81.A N ALA 77.A O no hydrogen 2.987 N/A ARG 82.A N GLU 78.A O no hydrogen 3.126 N/A ASP 83.A N VAL 79.A O no hydrogen 2.921 N/A LEU 84.A N LEU 80.A O no hydrogen 2.938 N/A ASP 85.A N ALA 81.A O no hydrogen 2.894 N/A LYS 86.A N ARG 82.A O no hydrogen 3.262 N/A LEU 87.A N ASP 83.A O no hydrogen 2.757 N/A ASN 88.A N LEU 84.A O no hydrogen 2.788 N/A ASN 88.A ND2 GLU 44.A OE2 no hydrogen 3.125 N/A ASN 88.A ND2 LEU 84.A O no hydrogen 3.285 N/A GLU 92.A N SER 90.A OG no hydrogen 3.055 N/A TRP 93.A NE1 ASP 85.A OD1 no hydrogen 2.816 N/A ARG 94.A N SER 91.A O no hydrogen 3.183 N/A SER 95.A N GLU 92.A O no hydrogen 3.344 N/A SER 95.A OG GLU 92.A O no hydrogen 3.188 N/A ARG 96.A N TRP 93.A O no hydrogen 3.103 N/A ARG 96.A NE GLU 92.A OE1 no hydrogen 2.971 N/A ARG 96.A NH1 GLU 44.A OE1 no hydrogen 3.301 N/A ARG 96.A NH2 GLU 44.A OE2 no hydrogen 2.559 N/A ARG 96.A NH2 GLU 92.A OE2 no hydrogen 3.292 N/A ILE 97.A N TRP 93.A O no hydrogen 2.850 N/A SER 100.A N GLN 45.A OE1 no hydrogen 2.913 N/A ALA 102.A N ASP 207.A OD2 no hydrogen 2.827 N/A VAL 103.A N SER 100.A OG no hydrogen 3.194 N/A ILE 104.A N SER 100.A O no hydrogen 2.882 N/A ASP 105.A N PRO 101.A O no hydrogen 3.195 N/A TYR 106.A N ALA 102.A O no hydrogen 3.113 N/A VAL 107.A N VAL 103.A O no hydrogen 2.802 N/A ASN 108.A N ILE 104.A O no hydrogen 2.912 N/A ARG 109.A N ASP 105.A O no hydrogen 3.006 N/A ARG 109.A NE GLU 193.A OE1 no hydrogen 2.952 N/A ARG 109.A NH1 GLU 193.A OE2 no hydrogen 3.190 N/A ARG 109.A NH2 GLU 112.A OE1 no hydrogen 2.529 N/A LEU 110.A N TYR 106.A O no hydrogen 3.028 N/A GLU 111.A N VAL 107.A O no hydrogen 2.803 N/A GLU 112.A N ASN 108.A O no hydrogen 2.999 N/A ILE 113.A N ARG 109.A O no hydrogen 2.945 N/A ARG 114.A N LEU 110.A O no hydrogen 2.820 N/A ARG 114.A NE ASP 115.A OD1 no hydrogen 2.800 N/A ARG 114.A NH1 GLN 55.A OE1 no hydrogen 2.779 N/A ARG 114.A NH2 ASP 115.A OD1 no hydrogen 3.341 N/A ARG 114.A NH2 ASP 115.A OD2 no hydrogen 3.099 N/A ASP 115.A N GLU 111.A O no hydrogen 2.954 N/A ASN 116.A N GLU 112.A O no hydrogen 2.865 N/A VAL 117.A N ARG 114.A O no hydrogen 2.984 N/A ASP 118.A N ILE 113.A O no hydrogen 2.987 N/A ALA 121.A N ASP 118.A OD1 no hydrogen 3.175 N/A LEU 122.A N ASP 118.A O no hydrogen 2.937 N/A VAL 123.A N GLY 119.A O no hydrogen 2.898 N/A ALA 124.A N PRO 120.A O no hydrogen 3.144 N/A HIS 125.A N ALA 121.A O no hydrogen 3.222 N/A HIS 125.A NE2 GLU 193.A OE1 no hydrogen 2.765 N/A HIS 126.A N LEU 122.A O no hydrogen 2.871 N/A HIS 126.A ND1 TYR 173.A OH no hydrogen 2.718 N/A TYR 127.A N VAL 123.A O no hydrogen 2.917 N/A VAL 128.A N ALA 124.A O no hydrogen 3.125 N/A ARG 129.A N HIS 125.A O no hydrogen 3.107 N/A ARG 129.A NE TYR 50.A OH no hydrogen 2.712 N/A ARG 129.A NH1 ASN 201.A OD1 no hydrogen 2.839 N/A ARG 129.A NH2 TYR 50.A OH no hydrogen 3.113 N/A ARG 129.A NH2 ASP 133.A OD2 no hydrogen 3.096 N/A TYR 130.A N HIS 126.A O no hydrogen 2.801 N/A TYR 130.A OH GLU 54.A OE2 no hydrogen 2.604 N/A LEU 131.A N TYR 127.A O no hydrogen 3.110 N/A ASP 133.A N ARG 129.A O no hydrogen 2.907 N/A LEU 134.A N TYR 130.A O no hydrogen 2.875 N/A SER 135.A N LEU 131.A O no hydrogen 2.946 N/A SER 135.A N GLY 132.A O no hydrogen 3.262 N/A SER 135.A OG LEU 131.A O no hydrogen 2.679 N/A GLY 136.A N GLY 132.A O no hydrogen 2.859 N/A GLN 138.A NE2 GLN 138.A O no hydrogen 3.177 N/A ILE 140.A N GLY 136.A O no hydrogen 3.263 N/A ALA 141.A N GLY 137.A O no hydrogen 2.919 N/A ARG 142.A N GLN 138.A O no hydrogen 2.919 N/A MET 143.A N VAL 139.A O no hydrogen 3.025 N/A MET 144.A N ILE 140.A O no hydrogen 2.946 N/A GLN 145.A N ALA 141.A O no hydrogen 3.072 N/A ARG 146.A N ARG 142.A O no hydrogen 2.872 N/A HIS 147.A N MET 143.A O no hydrogen 2.847 N/A TYR 148.A N MET 144.A O no hydrogen 3.239 N/A TYR 148.A OH LEU 29.A O no hydrogen 2.739 N/A GLY 149.A N GLN 145.A O no hydrogen 3.005 N/A VAL 150.A N MET 144.A O no hydrogen 3.248 N/A GLU 153.A N ASP 151.A OD1 no hydrogen 2.927 N/A ALA 154.A N ASP 151.A O no hydrogen 2.898 N/A LEU 155.A N PRO 152.A O no hydrogen 3.070 N/A GLY 156.A N ASP 83.A OD2 no hydrogen 2.902 N/A PHE 157.A N ASP 83.A OD1 no hydrogen 2.822 N/A TYR 158.A N LEU 155.A O no hydrogen 2.976 N/A HIS 159.A N GLY 156.A O no hydrogen 2.991 N/A ILE 163.A N PHE 160.A O no hydrogen 3.098 N/A TYR 169.A N LYS 165.A O no hydrogen 3.203 N/A TYR 169.A OH ASP 71.A OD2 no hydrogen 2.697 N/A LYS 170.A N LEU 166.A O no hydrogen 3.006 N/A ASP 171.A N LYS 167.A O no hydrogen 2.970 N/A GLU 172.A N VAL 168.A O no hydrogen 2.871 N/A TYR 173.A N TYR 169.A O no hydrogen 2.898 N/A TYR 173.A OH HIS 126.A ND1 no hydrogen 2.718 N/A ARG 174.A N LYS 170.A O no hydrogen 3.094 N/A GLU 175.A N ASP 171.A O no hydrogen 3.013 N/A LYS 176.A N GLU 172.A O no hydrogen 2.920 N/A LYS 176.A NZ SER 68.A O no hydrogen 3.119 N/A LEU 177.A N TYR 173.A O no hydrogen 3.005 N/A ASN 178.A N ARG 174.A O no hydrogen 3.061 N/A ASN 178.A ND2 GLU 175.A OE1 no hydrogen 3.499 N/A ASN 179.A N GLU 175.A O no hydrogen 3.025 N/A ASN 179.A N LYS 176.A O no hydrogen 3.175 N/A LEU 180.A N LEU 177.A O no hydrogen 3.228 N/A SER 183.A N GLN 186.A OE1 no hydrogen 2.854 N/A GLN 186.A N SER 183.A OG no hydrogen 3.011 N/A ARG 187.A N SER 183.A O no hydrogen 2.836 N/A ARG 187.A NE GLU 8.A OE2 no hydrogen 2.797 N/A ARG 187.A NH2 GLU 8.A OE2 no hydrogen 2.953 N/A GLU 188.A N ASP 184.A O no hydrogen 2.950 N/A HIS 189.A N GLU 185.A O no hydrogen 2.959 N/A HIS 189.A NE2 ASP 118.A OD2 no hydrogen 2.723 N/A LEU 190.A N GLN 186.A O no hydrogen 2.884 N/A LEU 191.A N ARG 187.A O no hydrogen 2.974 N/A LYS 192.A N GLU 188.A O no hydrogen 3.075 N/A GLU 193.A N HIS 189.A O no hydrogen 2.974 N/A ALA 194.A N LEU 190.A O no hydrogen 2.891 N/A THR 195.A N LEU 191.A O no hydrogen 3.239 N/A ASP 196.A N LYS 192.A O no hydrogen 3.009 N/A ALA 197.A N GLU 193.A O no hydrogen 2.765 N/A PHE 198.A N ALA 194.A O no hydrogen 3.188 N/A VAL 199.A N THR 195.A O no hydrogen 3.004 N/A PHE 200.A N ASP 196.A O no hydrogen 2.874 N/A ASN 201.A N ALA 197.A O no hydrogen 3.126 N/A ASN 201.A ND2 TYR 106.A OH no hydrogen 2.895 N/A ASN 201.A ND2 ALA 197.A O no hydrogen 2.967 N/A HIS 202.A N PHE 198.A O no hydrogen 2.864 N/A GLN 203.A N VAL 199.A O no hydrogen 3.096 N/A GLN 203.A NE2 ASP 207.A OD1 no hydrogen 3.150 N/A VAL 204.A N PHE 200.A O no hydrogen 2.919 N/A PHE 205.A N ASN 201.A O no hydrogen 3.139 N/A ALA 206.A N HIS 202.A O no hydrogen 2.897 N/A ASP 207.A N GLN 203.A O no hydrogen 2.823 N/A LEU 208.A N VAL 204.A O no hydrogen 2.943 N/A GLY 209.A N PHE 205.A O no hydrogen 2.865 N/A LYS 210.A N ALA 206.A O no hydrogen 3.128 N/A LEU 212.A N ASP 207.A O no hydrogen 3.366 N/A