Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pea_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 30.A OD2 no hydrogen 2.822 N/A SER 5.A N THR 16.A O no hydrogen 3.048 N/A ARG 7.A N VAL 14.A O no hydrogen 2.947 N/A ARG 7.A NH2 GLU 9.A OE1 no hydrogen 2.934 N/A GLU 9.A N ILE 12.A O no hydrogen 2.907 N/A HIS 11.A ND1 ASN 43.A O no hydrogen 2.814 N/A ILE 12.A N GLU 9.A O no hydrogen 3.225 N/A ALA 13.A N VAL 46.A O no hydrogen 3.011 N/A VAL 14.A N ARG 7.A O no hydrogen 2.968 N/A ALA 15.A N VAL 48.A O no hydrogen 2.835 N/A THR 16.A N SER 5.A O no hydrogen 2.637 N/A THR 16.A OG1 HIS 50.A NE2 no hydrogen 2.865 N/A LEU 17.A N HIS 50.A O no hydrogen 2.878 N/A ASN 18.A N PHE 3.A O no hydrogen 2.733 N/A HIS 19.A N ASN 23.A OD1 no hydrogen 2.792 N/A HIS 19.A ND1 ALA 24.A O no hydrogen 2.859 N/A ASN 23.A N HIS 19.A O no hydrogen 2.762 N/A ASN 23.A ND2 GLU 52.A O no hydrogen 2.842 N/A ASN 23.A ND2 PHE 55.A O no hydrogen 2.772 N/A ASN 23.A ND2 PHE 56.A O no hydrogen 3.262 N/A SER 26.A N GLU 64.A OE1 no hydrogen 3.040 N/A SER 26.A N GLU 64.A OE2 no hydrogen 3.334 N/A SER 26.A OG GLU 64.A OE2 no hydrogen 2.701 N/A GLN 27.A NE2 ASP 30.A OD1 no hydrogen 2.800 N/A VAL 28.A N SER 25.A OG no hydrogen 3.213 N/A HIS 29.A ND1.B SER 26.A O no hydrogen 2.862 N/A ASP 30.A N GLN 27.A O no hydrogen 3.004 N/A VAL 31.A N VAL 28.A O no hydrogen 2.860 N/A GLU 33.A N HIS 29.A O.A no hydrogen 2.978 N/A GLU 33.A N HIS 29.A O.B no hydrogen 3.042 N/A LEU 34.A N ASP 30.A O no hydrogen 2.811 N/A ILE 35.A N VAL 31.A O no hydrogen 2.983 N/A ASP 36.A N THR 32.A O no hydrogen 2.963 N/A GLN 37.A N.A GLU 33.A O no hydrogen 2.927 N/A GLN 37.A N.B GLU 33.A O no hydrogen 2.945 N/A VAL 38.A N LEU 34.A O no hydrogen 2.777 N/A GLU 39.A N ILE 35.A O no hydrogen 2.921 N/A LYS 40.A N ASP 36.A O no hydrogen 3.072 N/A ASP 41.A N GLN 37.A O.A no hydrogen 3.045 N/A ASP 41.A N GLN 37.A O.B no hydrogen 3.031 N/A ASN 43.A N ASP 41.A OD1 no hydrogen 2.905 N/A ILE 44.A N ASP 41.A O no hydrogen 2.980 N/A ARG 45.A N HIS 11.A O no hydrogen 2.742 N/A ARG 45.A NH1 ALA 191.A O no hydrogen 2.993 N/A VAL 46.A N HIS 11.A O no hydrogen 3.283 N/A VAL 47.A N PRO 94.A O no hydrogen 2.893 N/A VAL 48.A N ALA 13.A O no hydrogen 2.871 N/A ILE 49.A N ILE 96.A O no hydrogen 2.792 N/A HIS 50.A N ALA 15.A O no hydrogen 3.116 N/A GLU 52.A N LEU 17.A O no hydrogen 2.667 N/A GLY 53.A N GLU 52.A OE2 no hydrogen 3.266 N/A PHE 56.A N HIS 100.A O no hydrogen 3.033 N/A PHE 56.A N ALA 102.A O no hydrogen 3.105 N/A SER 57.A N ALA 102.A O no hydrogen 3.110 N/A SER 57.A OG ASN 23.A O no hydrogen 2.661 N/A ALA 58.A N ALA 22.A O no hydrogen 2.956 N/A LYS 63.A N ASP 61.A OD1 no hydrogen 3.101 N/A GLU 64.A N ASP 61.A O no hydrogen 2.990 N/A PHE 65.A N ILE 62.A O no hydrogen 2.975 N/A VAL 68.A N THR 66.A OG1 no hydrogen 3.382 N/A THR 69.A N THR 66.A O no hydrogen 2.870 N/A THR 69.A OG1 GLU 64.A O no hydrogen 3.262 N/A GLU 70.A N GLN 73.A OE1 no hydrogen 3.412 N/A ALA 74.A N GLU 70.A O no hydrogen 2.984 N/A THR 75.A N ALA 71.A O no hydrogen 3.153 N/A THR 75.A OG1 ALA 71.A O no hydrogen 2.978 N/A GLU 76.A N LYS 72.A O no hydrogen 2.916 N/A LEU 77.A N GLN 73.A O no hydrogen 2.827 N/A ALA 78.A N ALA 74.A O no hydrogen 2.967 N/A GLN 79.A N THR 75.A O no hydrogen 2.845 N/A LEU 80.A N GLU 76.A O no hydrogen 2.828 N/A GLY 81.A N LEU 77.A O no hydrogen 3.191 N/A GLN 82.A N ALA 78.A O no hydrogen 3.036 N/A GLN 82.A NE2 GLY 135.A O no hydrogen 3.368 N/A GLN 82.A NE2 VAL 217.A O no hydrogen 3.110 N/A GLN 82.A NE2 GLU 220.A OE1 no hydrogen 3.057 N/A VAL 83.A N GLN 79.A O no hydrogen 2.887 N/A THR 84.A N LEU 80.A O no hydrogen 2.961 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.719 N/A PHE 85.A N GLY 81.A O no hydrogen 2.931 N/A GLU 86.A N GLN 82.A O no hydrogen 2.953 N/A ARG 87.A N VAL 83.A O no hydrogen 2.951 N/A ARG 87.A NH1 ASP 36.A OD1 no hydrogen 3.131 N/A ARG 87.A NH2 ASP 36.A OD1 no hydrogen 2.705 N/A ARG 87.A NH2 GLU 39.A OE1 no hydrogen 3.166 N/A VAL 88.A N THR 84.A O no hydrogen 3.128 N/A GLU 89.A N PHE 85.A O no hydrogen 2.978 N/A LYS 90.A N GLU 86.A O no hydrogen 2.913 N/A CYS 91.A N VAL 88.A O no hydrogen 2.958 N/A CYS 91.A SG LYS 93.A O no hydrogen 3.350 N/A SER 92.A N GLU 39.A OE2 no hydrogen 3.148 N/A LYS 93.A NZ VAL 38.A O no hydrogen 2.797 N/A LYS 93.A NZ ILE 44.A O no hydrogen 2.584 N/A VAL 95.A N HIS 114.A ND1 no hydrogen 2.914 N/A ILE 96.A N VAL 47.A O no hydrogen 2.812 N/A ALA 98.A N ILE 49.A O no hydrogen 2.759 N/A ILE 99.A N PHE 116.A O no hydrogen 2.694 N/A HIS 100.A NE2 GLY 53.A O no hydrogen 2.769 N/A ALA 102.A N HIS 100.A O no hydrogen 2.829 N/A ALA 103.A N LYS 122.A O no hydrogen 2.880 N/A LEU 104.A N SER 57.A O no hydrogen 2.982 N/A GLY 105.A N GLY 124.A O no hydrogen 2.805 N/A GLY 107.A N LEU 104.A O no hydrogen 2.908 N/A GLU 109.A N GLY 105.A O no hydrogen 2.941 N/A PHE 110.A N GLY 106.A O no hydrogen 2.962 N/A ALA 111.A N GLY 107.A O no hydrogen 3.073 N/A SER 112.A OG PHE 110.A O no hydrogen 2.766 N/A CYS 113.A N ALA 111.A O no hydrogen 3.100 N/A CYS 113.A SG PHE 110.A O no hydrogen 3.797 N/A HIS 114.A N VAL 95.A O no hydrogen 2.910 N/A HIS 114.A NE2 GLU 89.A O no hydrogen 2.849 N/A ARG 115.A N ASN 171.A OD1 no hydrogen 2.886 N/A ARG 115.A NE LEU 169.A O no hydrogen 2.779 N/A ARG 115.A NH1 ALA 111.A O no hydrogen 2.999 N/A ARG 115.A NH1 CYS 113.A O no hydrogen 2.843 N/A PHE 116.A N ALA 97.A O no hydrogen 2.948 N/A ALA 117.A N GLY 172.A O no hydrogen 3.081 N/A THR 118.A N ILE 99.A O no hydrogen 3.067 N/A ALA 121.A N THR 118.A O no hydrogen 3.310 N/A ALA 121.A N THR 118.A OG1 no hydrogen 3.250 N/A LYS 122.A N GLY 101.A O no hydrogen 3.101 N/A LYS 122.A NZ SER 120.A O no hydrogen 2.650 N/A LEU 123.A N ILE 159.A O no hydrogen 2.755 N/A GLY 124.A N ALA 103.A O no hydrogen 3.220 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.756 N/A THR 129.A N PRO 126.A O no hydrogen 2.974 N/A THR 129.A OG1 PRO 126.A O no hydrogen 3.366 N/A LEU 130.A N GLU 127.A O no hydrogen 2.958 N/A GLY 131.A N LEU 128.A O no hydrogen 2.994 N/A LEU 132.A N GLU 127.A O no hydrogen 3.320 N/A PHE 136.A N GLU 109.A OE2 no hydrogen 2.899 N/A ALA 137.A N GLU 220.A OE1 no hydrogen 2.726 N/A GLY 138.A N GLU 109.A OE2 no hydrogen 2.877 N/A THR 139.A N GLU 220.A OE2 no hydrogen 2.833 N/A THR 139.A OG1 GLU 220.A OE2 no hydrogen 2.619 N/A GLN 140.A N ALA 137.A O no hydrogen 3.023 N/A GLN 140.A NE2 THR 139.A OG1 no hydrogen 2.929 N/A ARG 141.A N ALA 137.A O no hydrogen 2.893 N/A ARG 141.A NE GLU 89.A OE1 no hydrogen 3.334 N/A ARG 141.A NE GLU 89.A OE2 no hydrogen 3.163 N/A ARG 141.A NH2 GLU 89.A OE1 no hydrogen 2.860 N/A LEU 142.A N GLY 138.A O no hydrogen 3.059 N/A ARG 144.A NH1 GLN 140.A O no hydrogen 2.923 N/A ARG 144.A NH1 GLN 140.A OE1 no hydrogen 3.406 N/A TYR 145.A N ARG 141.A O no hydrogen 3.220 N/A TYR 145.A N LEU 142.A O no hydrogen 3.012 N/A VAL 146.A N LEU 142.A O no hydrogen 2.930 N/A LYS 150.A NZ.B GLU 153.A OE1 no hydrogen 2.940 N/A ALA 151.A N GLY 147.A O no hydrogen 3.119 N/A CYS 152.A N LYS 148.A O no hydrogen 2.847 N/A GLU 153.A N ALA 149.A O no hydrogen 3.015 N/A THR 155.A N GLU 153.A O no hydrogen 2.948 N/A THR 155.A OG1 GLU 153.A O no hydrogen 2.781 N/A THR 155.A OG1 THR 157.A OG1 no hydrogen 3.383 N/A SER 156.A OG THR 129.A OG1 no hydrogen 3.279 N/A THR 157.A N THR 155.A OG1 no hydrogen 3.287 N/A THR 157.A OG1 THR 155.A OG1 no hydrogen 3.383 N/A ILE 159.A N LEU 123.A O no hydrogen 2.687 N/A GLY 161.A N ALA 121.A O no hydrogen 2.721 N/A ALA 162.A N GLU 119.A O no hydrogen 3.314 N/A GLU 163.A N THR 160.A OG1 no hydrogen 3.085 N/A ALA 164.A N THR 160.A O no hydrogen 2.812 N/A LEU 165.A N GLY 161.A O no hydrogen 2.996 N/A LYS 166.A N ALA 162.A O no hydrogen 3.171 N/A TRP 167.A N GLU 163.A O no hydrogen 3.020 N/A GLY 168.A N LEU 165.A O no hydrogen 3.242 N/A LEU 169.A N ALA 164.A O no hydrogen 2.760 N/A VAL 170.A N ALA 164.A O no hydrogen 3.329 N/A ASN 171.A N ARG 115.A O no hydrogen 2.717 N/A PHE 174.A N ALA 117.A O no hydrogen 3.064 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.676 N/A THR 178.A N ALA 175.A O no hydrogen 3.331 N/A THR 178.A OG1 ASP 182.A OD2 no hydrogen 2.687 N/A ASP 182.A N THR 178.A O no hydrogen 2.751 N/A THR 183.A N PHE 179.A O no hydrogen 3.078 N/A THR 183.A OG1 PHE 179.A O no hydrogen 3.088 N/A LEU 184.A N LEU 180.A O no hydrogen 3.014 N/A LYS 185.A N ASP 181.A O no hydrogen 3.057 N/A ALA 187.A N THR 183.A O no hydrogen 3.073 N/A LYS 188.A N LEU 184.A O no hydrogen 2.911 N/A GLN 189.A N LYS 185.A O no hydrogen 3.151 N/A ILE 190.A N VAL 186.A O no hydrogen 3.088 N/A ALA 191.A N ALA 187.A O no hydrogen 2.827 N/A GLY 192.A N LYS 188.A O no hydrogen 3.347 N/A GLY 192.A N GLN 189.A O no hydrogen 3.260 N/A LYS 193.A N ILE 190.A O no hydrogen 3.043 N/A SER 194.A OG THR 197.A OG1 no hydrogen 3.192 N/A THR 197.A N SER 194.A O no hydrogen 2.994 N/A THR 197.A N SER 194.A OG no hydrogen 3.376 N/A THR 197.A OG1 SER 194.A O no hydrogen 2.892 N/A THR 197.A OG1 SER 194.A OG no hydrogen 3.192 N/A ALA 198.A N SER 194.A O no hydrogen 3.070 N/A ARG 199.A N PRO 195.A O no hydrogen 2.879 N/A ALA 200.A N ALA 196.A O no hydrogen 3.011 N/A VAL 201.A N THR 197.A O no hydrogen 3.062 N/A LEU 202.A N ALA 198.A O no hydrogen 3.112 N/A GLU 203.A N ARG 199.A O no hydrogen 2.949 N/A LEU 204.A N ALA 200.A O no hydrogen 2.952 N/A LEU 205.A N VAL 201.A O no hydrogen 2.959 N/A GLN 206.A N GLU 203.A O no hydrogen 3.060 N/A GLN 206.A NE2 LEU 202.A O no hydrogen 2.895 N/A THR 207.A OG1 LEU 204.A O no hydrogen 3.301 N/A THR 208.A OG1 LEU 205.A O no hydrogen 3.546 N/A LYS 209.A N GLN 206.A O no hydrogen 2.998 N/A LYS 209.A NZ GLU 86.A OE1 no hydrogen 2.838 N/A LYS 209.A NZ GLU 86.A OE2 no hydrogen 3.403 N/A LYS 209.A NZ GLU 89.A OE1 no hydrogen 2.692 N/A TYR 213.A N SER 210.A OG no hydrogen 2.947 N/A TYR 214.A N SER 210.A O no hydrogen 3.080 N/A TYR 214.A OH GLU 86.A OE2 no hydrogen 2.671 N/A GLU 215.A N SER 211.A O no hydrogen 2.958 N/A GLY 216.A N HIS 212.A O no hydrogen 2.904 N/A VAL 217.A N TYR 213.A O no hydrogen 2.995 N/A GLN 218.A N TYR 214.A O no hydrogen 3.084 N/A ARG 219.A N GLU 215.A O no hydrogen 2.870 N/A ARG 219.A NH1 GLN 222.A OE1 no hydrogen 2.558 N/A GLU 220.A N GLY 216.A O no hydrogen 2.823 N/A ALA 221.A N VAL 217.A O no hydrogen 3.187 N/A GLN 222.A N GLN 218.A O no hydrogen 3.212 N/A ILE 223.A N ARG 219.A O no hydrogen 2.893 N/A PHE 224.A N GLU 220.A O no hydrogen 2.817 N/A GLY 225.A N ALA 221.A O no hydrogen 3.329 N/A GLU 226.A N GLN 222.A O no hydrogen 3.246 N/A VAL 227.A N.A ILE 223.A O no hydrogen 2.882 N/A VAL 227.A N.B ILE 223.A O no hydrogen 2.858 N/A PHE 228.A N PHE 224.A O no hydrogen 2.824 N/A THR 229.A N GLY 225.A O no hydrogen 3.259 N/A THR 229.A OG1 GLY 225.A O no hydrogen 3.274 N/A THR 229.A OG1 GLU 226.A O no hydrogen 3.504 N/A SER 230.A N VAL 227.A O.A no hydrogen 3.226 N/A SER 230.A N VAL 227.A O.B no hydrogen 3.190 N/A SER 230.A OG VAL 227.A O.A no hydrogen 2.674 N/A SER 230.A OG VAL 227.A O.B no hydrogen 2.638 N/A GLY 233.A N SER 230.A OG no hydrogen 2.990 N/A ARG 234.A N SER 230.A O no hydrogen 2.916 N/A ARG 234.A NH1 THR 66.A O no hydrogen 3.208 N/A ARG 234.A NH1 THR 69.A O no hydrogen 2.919 N/A ARG 234.A NH2 THR 69.A O no hydrogen 2.586 N/A GLU 235.A N GLU 231.A O no hydrogen 2.968 N/A GLY 236.A N ASP 232.A O no hydrogen 2.908 N/A VAL 237.A N GLY 233.A O no hydrogen 3.178 N/A ALA 238.A N ARG 234.A O no hydrogen 2.973 N/A ALA 239.A N GLU 235.A O no hydrogen 2.721 N/A PHE 240.A N GLY 236.A O no hydrogen 3.145 N/A LEU 241.A N VAL 237.A O no hydrogen 3.188 N/A GLU 242.A N ALA 238.A O no hydrogen 2.981 N/A LYS 243.A N PHE 240.A O no hydrogen 3.154 N/A ARG 244.A N ALA 239.A O no hydrogen 2.991 N/A ARG 244.A NE GLU 242.A OE1 no hydrogen 2.588 N/A ARG 244.A NH1 GLU 235.A OE2 no hydrogen 2.897 N/A ARG 244.A NH2 GLU 235.A OE1 no hydrogen 2.953 N/A ARG 244.A NH2 GLU 235.A OE2 no hydrogen 3.529 N/A ARG 244.A NH2 GLU 242.A OE1 no hydrogen 3.487 N/A SER 247.A N GLU 235.A OE2 no hydrogen 2.750 N/A SER 249.A N ASP 232.A OD1 no hydrogen 2.849 N/A SER 249.A OG GLU 231.A OE2 no hydrogen 3.444 N/A GLY 250.A N ASP 232.A OD2 no hydrogen 2.779 N/A