Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p4f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 61.A OE2 no hydrogen 3.169 N/A PHE 3.A N GLU 83.A OE2 no hydrogen 2.801 N/A ARG 4.A N VAL 81.A O no hydrogen 3.140 N/A ARG 4.A NH1 GLU 80.A OE1 no hydrogen 2.790 N/A ARG 4.A NH2 GLU 6.A OE1 no hydrogen 3.216 N/A GLN 5.A NE2 GLU 83.A OE2 no hydrogen 3.287 N/A ASP 9.A N ASN 7.A OD1 no hydrogen 3.035 N/A ASP 10.A N ASN 7.A O no hydrogen 2.928 N/A TYR 11.A N VAL 8.A O no hydrogen 2.967 N/A TYR 11.A OH GLU 6.A OE2 no hydrogen 2.406 N/A TYR 12.A N VAL 8.A O no hydrogen 2.935 N/A TYR 12.A OH GLU 80.A OE2 no hydrogen 2.768 N/A ASP 13.A N ARG 30.A O no hydrogen 2.930 N/A GLY 15.A N LYS 28.A O no hydrogen 2.656 N/A LEU 18.A N VAL 26.A O no hydrogen 2.743 N/A GLY 21.A N.A ALA 24.A O no hydrogen 2.871 N/A GLY 21.A N.B ALA 24.A O no hydrogen 2.906 N/A ALA 24.A N GLY 21.A O.B no hydrogen 2.903 N/A VAL 25.A N PHE 42.A O no hydrogen 3.151 N/A VAL 26.A N GLY 19.A O no hydrogen 2.843 N/A LYS 27.A N ALA 40.A O no hydrogen 2.898 N/A LYS 28.A N GLU 16.A O no hydrogen 2.785 N/A CYS 29.A N TYR 38.A O no hydrogen 2.918 N/A ARG 30.A N ASP 13.A O no hydrogen 2.754 N/A GLU 31.A N LEU 36.A O no hydrogen 2.851 N/A LYS 32.A N TYR 11.A O no hydrogen 2.878 N/A LYS 32.A NZ ASP 9.A O no hydrogen 3.007 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.767 N/A GLY 35.A N GLU 31.A O no hydrogen 2.788 N/A LEU 36.A N THR 34.A OG1 no hydrogen 3.139 N/A TYR 38.A N CYS 29.A O no hydrogen 2.988 N/A ALA 39.A N LEU 92.A O no hydrogen 2.786 N/A ALA 40.A N LYS 27.A O no hydrogen 2.805 N/A LYS 41.A N LEU 90.A O no hydrogen 2.827 N/A LYS 41.A NZ GLU 63.A OE2 no hydrogen 3.481 N/A PHE 42.A N VAL 25.A O no hydrogen 2.747 N/A ILE 43.A N VAL 88.A O no hydrogen 2.702 N/A LYS 44.A N PHE 23.A O no hydrogen 2.803 N/A LYS 44.A NZ ASP 87.A OD1 no hydrogen 3.446 N/A LYS 44.A NZ ASP 87.A OD2 no hydrogen 3.290 N/A LYS 45.A N THR 86.A O no hydrogen 2.864 N/A LYS 45.A NZ GLU 83.A OE1 no hydrogen 2.824 N/A LYS 45.A NZ ASN 84.A O no hydrogen 2.588 N/A ARG 46.A N VAL 55.A O no hydrogen 3.408 N/A ARG 46.A NE GLY 54.A O no hydrogen 3.321 N/A SER 51.A OG ARG 53.A O no hydrogen 3.419 N/A ARG 53.A N SER 51.A OG no hydrogen 3.226 N/A VAL 55.A N LYS 44.A O no hydrogen 2.834 N/A ARG 57.A NE GLU 61.A OE2 no hydrogen 2.811 N/A ARG 57.A NH1 GLU 83.A OE1 no hydrogen 2.557 N/A ARG 57.A NH2 THR 1.A O no hydrogen 2.654 N/A ARG 57.A NH2 GLU 83.A OE1 no hydrogen 3.243 N/A ARG 57.A NH2 GLU 83.A OE2 no hydrogen 2.991 N/A ASP 59.A N SER 56.A OG no hydrogen 3.118 N/A ILE 60.A N SER 56.A O no hydrogen 2.929 N/A GLU 61.A N ARG 57.A O no hydrogen 2.830 N/A ARG 62.A N GLU 58.A O no hydrogen 3.035 N/A ARG 62.A NH1 ASP 59.A OD1 no hydrogen 2.757 N/A ARG 62.A NH2 GLU 58.A OE2 no hydrogen 2.545 N/A GLU 63.A N ASP 59.A O no hydrogen 3.172 N/A VAL 64.A N ILE 60.A O no hydrogen 2.976 N/A SER 65.A N GLU 61.A O no hydrogen 2.808 N/A ILE 66.A N ARG 62.A O no hydrogen 2.955 N/A LEU 67.A N GLU 63.A O no hydrogen 2.897 N/A LYS 68.A N VAL 64.A O no hydrogen 2.946 N/A GLU 69.A N SER 65.A O no hydrogen 3.375 N/A GLU 69.A N ILE 66.A O no hydrogen 3.048 N/A GLN 71.A N TYR 121.A OH no hydrogen 2.816 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.033 N/A ASN 74.A ND2 GLN 114.A OE1 no hydrogen 3.251 N/A ASN 74.A ND2 ILE 147.A O no hydrogen 2.975 N/A VAL 75.A N HIS 72.A O no hydrogen 3.183 N/A ILE 76.A N ILE 149.A O no hydrogen 3.102 N/A THR 77.A N GLU 93.A OE1 no hydrogen 3.189 N/A THR 77.A OG1 GLU 93.A OE1 no hydrogen 3.315 N/A HIS 79.A N ILE 91.A O no hydrogen 2.686 N/A GLU 80.A N ILE 91.A O no hydrogen 3.297 N/A TYR 82.A N ILE 89.A O no hydrogen 2.921 N/A TYR 82.A OH GLU 80.A OE2 no hydrogen 3.271 N/A GLU 83.A N ARG 4.A O no hydrogen 2.906 N/A ASN 84.A N ASP 87.A O no hydrogen 2.987 N/A THR 86.A N ASN 84.A OD1 no hydrogen 3.051 N/A THR 86.A OG1 ASN 84.A OD1 no hydrogen 3.205 N/A THR 86.A OG1 ASP 87.A OD2 no hydrogen 3.312 N/A ASP 87.A N ASN 84.A OD1 no hydrogen 2.834 N/A VAL 88.A N ILE 43.A O no hydrogen 2.834 N/A ILE 89.A N TYR 82.A O no hydrogen 2.740 N/A LEU 90.A N LYS 41.A O no hydrogen 2.912 N/A ILE 91.A N GLU 80.A O no hydrogen 2.712 N/A LEU 92.A N ALA 39.A O no hydrogen 2.725 N/A GLU 93.A N THR 77.A O no hydrogen 2.912 N/A ALA 96.A N LEU 140.A O no hydrogen 2.971 N/A GLY 97.A N LEU 139.A O no hydrogen 2.778 N/A LEU 100.A N ILE 137.A O no hydrogen 2.886 N/A PHE 103.A N LEU 100.A O no hydrogen 2.975 N/A GLU 107.A N THR 104.A OG1 no hydrogen 3.246 N/A ALA 108.A N THR 104.A O no hydrogen 2.944 N/A THR 109.A N GLU 105.A O no hydrogen 2.729 N/A THR 109.A OG1 GLU 105.A O no hydrogen 3.007 N/A THR 109.A OG1 GLU 106.A O no hydrogen 3.089 N/A GLU 110.A N GLU 106.A O no hydrogen 2.927 N/A PHE 111.A N GLU 107.A O no hydrogen 3.381 N/A LEU 112.A N ALA 108.A O no hydrogen 2.788 N/A LYS 113.A N THR 109.A O no hydrogen 2.763 N/A GLN 114.A NE2 GLU 110.A O no hydrogen 3.587 N/A GLN 114.A NE2 PRO 145.A O no hydrogen 3.113 N/A ILE 115.A N PHE 111.A O no hydrogen 3.130 N/A LEU 116.A N LEU 112.A O no hydrogen 2.825 N/A ASN 117.A N LYS 113.A O no hydrogen 2.887 N/A GLY 118.A N GLN 114.A O no hydrogen 3.018 N/A VAL 119.A N ILE 115.A O no hydrogen 2.893 N/A TYR 120.A N LEU 116.A O no hydrogen 2.720 N/A TYR 121.A N ASN 117.A O no hydrogen 3.041 N/A LEU 122.A N GLY 118.A O no hydrogen 3.096 N/A HIS 123.A N VAL 119.A O no hydrogen 2.795 N/A HIS 123.A NE2 ASP 189.A OD2 no hydrogen 2.853 N/A SER 124.A N TYR 120.A O no hydrogen 2.867 N/A SER 124.A OG TYR 120.A O no hydrogen 2.672 N/A LEU 125.A N TYR 121.A O no hydrogen 3.207 N/A LEU 125.A N LEU 122.A O no hydrogen 2.908 N/A GLN 126.A N HIS 123.A O no hydrogen 2.930 N/A GLN 126.A NE2 ILE 158.A O no hydrogen 3.252 N/A ILE 127.A N LEU 122.A O no hydrogen 2.900 N/A ALA 128.A N HIS 156.A O no hydrogen 2.991 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.812 N/A HIS 129.A NE2 ILE 150.A O no hydrogen 2.856 N/A PHE 130.A N ASP 189.A OD1 no hydrogen 2.880 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.050 N/A LYS 133.A NZ THR 170.A OG1 no hydrogen 2.825 N/A GLU 135.A N.A GLU 135.A OE1.A no hydrogen 2.684 N/A ASN 136.A N LYS 133.A O no hydrogen 2.769 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.814 N/A ILE 137.A N PRO 134.A O no hydrogen 3.151 N/A MET 138.A N LYS 148.A O no hydrogen 2.985 N/A LEU 139.A N GLY 98.A O no hydrogen 2.740 N/A LEU 140.A N ARG 146.A O no hydrogen 2.841 N/A ARG 142.A NE GLY 97.A O no hydrogen 3.348 N/A ASN 143.A N ASP 141.A OD1 no hydrogen 2.854 N/A ILE 147.A N GLN 114.A OE1 no hydrogen 2.901 N/A LYS 148.A N MET 138.A O no hydrogen 2.818 N/A LYS 148.A NZ GLU 93.A OE1 no hydrogen 2.799 N/A LYS 148.A NZ GLU 93.A OE2 no hydrogen 2.759 N/A ILE 149.A N ASN 74.A O no hydrogen 2.814 N/A ILE 150.A N ASN 136.A O no hydrogen 2.964 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.176 N/A ALA 155.A N PHE 152.A O no hydrogen 3.172 N/A HIS 156.A N ALA 128.A O no hydrogen 2.965 N/A HIS 156.A ND1 LEU 154.A O no hydrogen 2.751 N/A LYS 157.A NZ GLU 69.A OE2 no hydrogen 3.005 N/A LYS 157.A NZ LEU 125.A O no hydrogen 3.069 N/A ILE 158.A N GLN 126.A O no hydrogen 2.701 N/A GLU 163.A N LEU 184.A O no hydrogen 2.702 N/A PHE 164.A N GLU 163.A OE1 no hydrogen 3.060 N/A LYS 165.A NZ HIS 156.A NE2 no hydrogen 2.998 N/A PHE 173.A N THR 170.A O no hydrogen 2.842 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.736 N/A ILE 178.A N ALA 175.A O no hydrogen 3.001 N/A VAL 179.A N ALA 175.A O no hydrogen 3.247 N/A ASN 180.A N PRO 176.A O no hydrogen 2.899 N/A ASN 180.A ND2 PRO 176.A O no hydrogen 3.063 N/A ASN 180.A ND2 SER 220.A OG no hydrogen 2.850 N/A TYR 181.A N ILE 178.A O no hydrogen 3.114 N/A TYR 181.A OH GLN 268.A OE1 no hydrogen 2.962 N/A GLU 182.A N GLU 177.A O no hydrogen 2.868 N/A LEU 184.A N GLU 163.A O no hydrogen 2.816 N/A ALA 188.A N GLY 185.A O no hydrogen 3.247 N/A ASP 189.A N LEU 186.A O no hydrogen 3.066 N/A TRP 191.A N GLU 187.A O no hydrogen 3.198 N/A SER 192.A N ALA 188.A O no hydrogen 3.199 N/A SER 192.A OG PHE 173.A O no hydrogen 2.817 N/A SER 192.A OG ALA 188.A O no hydrogen 3.320 N/A ILE 193.A N ASP 189.A O no hydrogen 2.934 N/A GLY 194.A N MET 190.A O no hydrogen 3.071 N/A VAL 195.A N TRP 191.A O no hydrogen 3.045 N/A ILE 196.A N SER 192.A O no hydrogen 2.931 N/A THR 197.A N ILE 193.A O no hydrogen 2.861 N/A THR 197.A OG1 ILE 193.A O no hydrogen 2.895 N/A TYR 198.A N GLY 194.A O no hydrogen 2.926 N/A TYR 198.A OH GLU 225.A O no hydrogen 2.650 N/A ILE 199.A N VAL 195.A O no hydrogen 3.091 N/A LEU 200.A N ILE 196.A O no hydrogen 2.766 N/A LEU 201.A N THR 197.A O no hydrogen 3.059 N/A SER 202.A N TYR 198.A O no hydrogen 3.141 N/A SER 202.A N ILE 199.A O no hydrogen 3.208 N/A SER 202.A OG TYR 198.A O no hydrogen 2.777 N/A GLY 203.A N ILE 199.A O no hydrogen 2.733 N/A ALA 204.A N SER 202.A OG no hydrogen 2.966 N/A SER 205.A OG GLU 172.A OE1 no hydrogen 2.621 N/A GLY 209.A N THR 215.A OG1 no hydrogen 3.000 N/A ASP 210.A N GLU 214.A OE1 no hydrogen 3.367 N/A THR 211.A OG1 GLU 214.A OE2 no hydrogen 3.559 N/A GLU 214.A N THR 211.A OG1 no hydrogen 3.375 N/A THR 215.A N THR 211.A O no hydrogen 3.143 N/A THR 215.A OG1 THR 211.A O no hydrogen 3.346 N/A LEU 216.A N LYS 212.A O no hydrogen 2.946 N/A ALA 217.A N GLN 213.A O no hydrogen 2.892 N/A ASN 218.A N GLU 214.A O no hydrogen 2.878 N/A ASN 218.A ND2 PHE 207.A O no hydrogen 3.041 N/A VAL 219.A N THR 215.A O no hydrogen 2.860 N/A SER 220.A N LEU 216.A O no hydrogen 2.989 N/A ALA 221.A N ALA 217.A O no hydrogen 3.047 N/A VAL 222.A N VAL 219.A O no hydrogen 2.964 N/A ASN 223.A N ASN 218.A O no hydrogen 2.841 N/A ASN 223.A ND2 ASN 223.A O no hydrogen 2.776 N/A TYR 224.A N VAL 222.A O no hydrogen 3.191 N/A PHE 226.A N GLU 225.A OE1 no hydrogen 2.725 N/A TYR 230.A N GLU 227.A O no hydrogen 2.717 N/A PHE 231.A N GLU 227.A O no hydrogen 2.825 N/A PHE 231.A N ASP 228.A O no hydrogen 3.202 N/A SER 232.A OG ASP 228.A O no hydrogen 3.429 N/A ASN 233.A N ASN 233.A OD1 no hydrogen 2.499 N/A THR 234.A N PHE 231.A O no hydrogen 3.278 N/A SER 235.A N GLU 105.A OE1 no hydrogen 2.681 N/A SER 235.A OG GLU 105.A OE1 no hydrogen 3.477 N/A SER 235.A OG GLU 105.A OE2 no hydrogen 2.840 N/A ALA 238.A N SER 235.A OG no hydrogen 3.135 N/A LYS 239.A N SER 235.A O no hydrogen 3.313 N/A ASP 240.A N ALA 236.A O no hydrogen 2.832 N/A PHE 241.A N LEU 237.A O no hydrogen 2.891 N/A ILE 242.A N ALA 238.A O no hydrogen 3.136 N/A ARG 243.A N LYS 239.A O no hydrogen 2.845 N/A ARG 244.A N ASP 240.A O no hydrogen 3.191 N/A ARG 244.A NE ASP 240.A OD1 no hydrogen 2.693 N/A ARG 244.A NE ASP 240.A OD2 no hydrogen 3.371 N/A ARG 244.A NH2 ASP 240.A OD2 no hydrogen 2.968 N/A LEU 245.A N ILE 242.A O no hydrogen 3.023 N/A LEU 246.A N ILE 242.A O no hydrogen 2.979 N/A LYS 248.A NZ SER 220.A O no hydrogen 2.765 N/A LYS 251.A N ASP 249.A OD1 no hydrogen 3.002 N/A LYS 252.A N ASP 249.A O no hydrogen 2.949 N/A LYS 252.A NZ ASP 249.A OD2 no hydrogen 3.361 N/A ARG 253.A N PRO 250.A O no hydrogen 3.332 N/A ARG 253.A NE VAL 247.A O no hydrogen 2.940 N/A ARG 253.A NH1 GLU 177.A OE2 no hydrogen 2.814 N/A ARG 253.A NH1 GLU 187.A O no hydrogen 2.842 N/A ARG 253.A NH2 GLU 177.A OE1 no hydrogen 2.921 N/A ARG 253.A NH2 GLU 177.A OE2 no hydrogen 3.565 N/A ARG 253.A NH2 VAL 247.A O no hydrogen 2.985 N/A ARG 253.A NH2 LYS 248.A O no hydrogen 3.064 N/A MET 254.A N ARG 244.A O no hydrogen 3.052 N/A THR 255.A N ASP 258.A OD2 no hydrogen 3.008 N/A ASP 258.A N THR 255.A OG1 no hydrogen 3.085 N/A SER 259.A N THR 255.A O no hydrogen 2.926 N/A SER 259.A OG ILE 256.A O no hydrogen 2.742 N/A LEU 260.A N ILE 256.A O no hydrogen 3.158 N/A GLN 261.A N GLN 257.A O no hydrogen 3.296 N/A GLN 261.A N ASP 258.A O no hydrogen 3.126 N/A HIS 262.A NE2 ASP 240.A OD1 no hydrogen 2.752 N/A TRP 264.A N HIS 262.A ND1 no hydrogen 2.995 N/A TRP 264.A NE1 GLU 105.A OE2 no hydrogen 3.026 N/A ILE 265.A N HIS 262.A O no hydrogen 2.870 N/A LYS 266.A N HIS 262.A O no hydrogen 2.775 N/A