Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p5j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ASP 83.A OD1 no hydrogen 3.128 N/A ARG 4.A NH1 THR 109.A OG1 no hydrogen 3.082 N/A ARG 4.A NH2 THR 109.A OG1 no hydrogen 3.334 N/A ARG 6.A NE ASP 83.A OD2 no hydrogen 3.255 N/A LEU 7.A N LEU 82.A O no hydrogen 2.936 N/A SER 8.A OG SER 9.A O no hydrogen 3.122 N/A SER 8.A OG TRP 80.A O no hydrogen 3.496 N/A SER 8.A OG TYR 116.A OH no hydrogen 3.150 N/A SER 9.A N TRP 80.A O no hydrogen 3.279 N/A SER 9.A OG PRO 10.A O no hydrogen 3.359 N/A SER 9.A OG TRP 80.A O no hydrogen 3.164 N/A CYS 15.A N PRO 12.A O no hydrogen 3.007 N/A CYS 15.A SG PHE 77.A O no hydrogen 3.572 N/A LEU 16.A N ALA 13.A O no hydrogen 3.054 N/A LYS 17.A N VAL 14.A O no hydrogen 3.060 N/A GLU 18.A N VAL 14.A O no hydrogen 2.762 N/A CYS 20.A N ASN 123.A O no hydrogen 2.735 N/A CYS 20.A SG CYS 15.A O no hydrogen 3.989 N/A CYS 20.A SG GLU 18.A O no hydrogen 3.387 N/A VAL 21.A N CYS 43.A O no hydrogen 3.220 N/A LEU 22.A N GLN 126.A O no hydrogen 2.845 N/A GLY 23.A N CYS 41.A O no hydrogen 2.660 N/A VAL 24.A N PHE 128.A O no hydrogen 2.968 N/A ASP 25.A N ALA 39.A O no hydrogen 2.909 N/A GLU 26.A N ASP 25.A OD1 no hydrogen 2.689 N/A ALA 27.A N VAL 37.A O no hydrogen 2.914 N/A VAL 32.A N GLY 198.A O no hydrogen 2.930 N/A GLY 34.A N PHE 222.A O no hydrogen 2.918 N/A MET 36.A N LEU 85.A O no hydrogen 2.988 N/A VAL 37.A N ALA 27.A O no hydrogen 2.705 N/A TYR 38.A N ASP 83.A O no hydrogen 3.121 N/A ALA 39.A N ASP 25.A O no hydrogen 2.789 N/A ILE 40.A N ALA 81.A O no hydrogen 3.072 N/A CYS 41.A N GLY 23.A O no hydrogen 2.878 N/A CYS 41.A SG GLY 79.A O no hydrogen 3.888 N/A TYR 42.A N GLY 79.A O no hydrogen 2.910 N/A CYS 43.A N VAL 21.A O no hydrogen 3.162 N/A CYS 43.A SG PRO 44.A O no hydrogen 3.420 N/A CYS 43.A SG ARG 47.A O no hydrogen 3.643 N/A LEU 45.A N PRO 19.A O no hydrogen 3.014 N/A SER 46.A OG GLU 18.A OE1 no hydrogen 2.612 N/A SER 46.A OG GLU 18.A OE2 no hydrogen 3.227 N/A LEU 51.A N LEU 48.A O no hydrogen 3.067 N/A GLU 52.A N LEU 48.A O no hydrogen 2.946 N/A VAL 56.A N SER 165.A OG no hydrogen 3.400 N/A ARG 64.A N THR 60.A O no hydrogen 2.904 N/A ARG 64.A NE LEU 59.A O no hydrogen 3.032 N/A GLU 65.A N GLU 61.A O no hydrogen 3.314 N/A ARG 66.A N ASN 62.A O no hydrogen 3.148 N/A LEU 67.A N GLU 63.A O no hydrogen 3.037 N/A PHE 68.A N ARG 64.A O no hydrogen 2.839 N/A ALA 69.A N GLU 65.A O no hydrogen 3.025 N/A LYS 70.A N ARG 66.A O no hydrogen 2.953 N/A MET 71.A N LEU 67.A O no hydrogen 3.216 N/A GLU 72.A N PHE 68.A O no hydrogen 3.063 N/A GLU 73.A N ALA 69.A O no hydrogen 2.811 N/A PHE 77.A N ASP 74.A O no hydrogen 3.376 N/A VAL 78.A N ASP 74.A O no hydrogen 3.243 N/A GLY 79.A N TYR 42.A O no hydrogen 3.021 N/A TRP 80.A N SER 9.A OG no hydrogen 3.075 N/A ALA 81.A N ILE 40.A O no hydrogen 3.166 N/A LEU 82.A N LEU 7.A O no hydrogen 2.725 N/A ASP 83.A N TYR 38.A O no hydrogen 2.899 N/A VAL 84.A N CYS 5.A O no hydrogen 2.732 N/A LEU 85.A N MET 36.A O no hydrogen 2.733 N/A SER 86.A OG GLY 3.A O no hydrogen 2.867 N/A LEU 89.A N SER 86.A OG no hydrogen 2.710 N/A ILE 90.A N SER 86.A O no hydrogen 3.014 N/A SER 91.A N PRO 87.A O no hydrogen 2.585 N/A SER 91.A OG PRO 87.A O no hydrogen 2.864 N/A SER 91.A OG VAL 223.A O no hydrogen 3.500 N/A THR 92.A N ASN 88.A O no hydrogen 2.790 N/A THR 92.A OG1 ASN 88.A O no hydrogen 2.589 N/A THR 92.A OG1 LEU 89.A O no hydrogen 3.388 N/A SER 93.A N LEU 89.A O no hydrogen 2.849 N/A MET 94.A N ILE 90.A O no hydrogen 3.250 N/A LEU 95.A N SER 91.A O no hydrogen 2.982 N/A ARG 97.A NH1 GLU 244.A OE1 no hydrogen 3.541 N/A TYR 100.A OH ASP 108.A OD2 no hydrogen 2.726 N/A SER 104.A N ASN 101.A OD1 no hydrogen 3.090 N/A SER 104.A OG ASN 101.A OD1 no hydrogen 3.357 N/A LEU 105.A N ASN 101.A O no hydrogen 2.883 N/A SER 106.A N LEU 102.A O no hydrogen 2.563 N/A SER 106.A OG LEU 102.A O no hydrogen 2.507 N/A HIS 107.A N ASN 103.A O no hydrogen 2.959 N/A ASP 108.A N SER 104.A O no hydrogen 2.977 N/A THR 109.A N LEU 105.A O no hydrogen 3.379 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.971 N/A ALA 110.A N SER 106.A O no hydrogen 3.189 N/A ALA 111.A N HIS 107.A O no hydrogen 2.928 N/A GLY 112.A N ASP 108.A O no hydrogen 3.106 N/A LEU 113.A N THR 109.A O no hydrogen 3.271 N/A ILE 114.A N ALA 110.A O no hydrogen 3.076 N/A GLN 115.A N ALA 111.A O no hydrogen 2.738 N/A GLN 115.A NE2 ASP 119.A OD1 no hydrogen 2.756 N/A TYR 116.A N GLY 112.A O no hydrogen 2.801 N/A TYR 116.A OH SER 8.A OG no hydrogen 3.150 N/A ALA 117.A N LEU 113.A O no hydrogen 3.336 N/A LEU 118.A N ILE 114.A O no hydrogen 3.266 N/A ASP 119.A N GLN 115.A O no hydrogen 2.920 N/A GLN 120.A N TYR 116.A O no hydrogen 2.903 N/A GLN 120.A N ALA 117.A O no hydrogen 3.244 N/A ASN 121.A N LEU 118.A O no hydrogen 2.927 N/A VAL 122.A N ALA 117.A O no hydrogen 3.150 N/A ASN 123.A N CYS 15.A O no hydrogen 2.895 N/A ASN 123.A ND2 LYS 17.A O no hydrogen 2.736 N/A VAL 124.A N VAL 122.A O no hydrogen 2.653 N/A THR 125.A N CYS 20.A O no hydrogen 2.891 N/A THR 125.A OG1 CYS 20.A O no hydrogen 3.179 N/A GLN 126.A NE2 VAL 127.A O no hydrogen 3.400 N/A VAL 127.A N GLU 150.A O no hydrogen 2.925 N/A PHE 128.A N LEU 22.A O no hydrogen 2.810 N/A VAL 129.A N THR 152.A O no hydrogen 2.748 N/A ASP 130.A N VAL 24.A O no hydrogen 3.237 N/A GLN 139.A N PRO 135.A O no hydrogen 3.012 N/A ALA 140.A N GLU 136.A O no hydrogen 3.023 N/A ARG 141.A N THR 137.A O no hydrogen 3.123 N/A LEU 142.A N TYR 138.A O no hydrogen 3.024 N/A GLN 143.A N GLN 139.A O no hydrogen 2.579 N/A GLN 143.A NE2 GLN 143.A O no hydrogen 3.349 N/A GLN 143.A NE2 PHE 146.A O no hydrogen 3.136 N/A GLN 143.A NE2 ILE 149.A O no hydrogen 2.590 N/A GLN 144.A N ALA 140.A O no hydrogen 2.917 N/A HIS 145.A N ARG 141.A O no hydrogen 3.160 N/A PHE 146.A N LEU 142.A O no hydrogen 3.163 N/A ILE 149.A N PHE 146.A O no hydrogen 3.472 N/A GLU 150.A N THR 125.A O no hydrogen 3.454 N/A VAL 151.A N GLN 143.A OE1 no hydrogen 3.252 N/A THR 152.A N VAL 127.A O no hydrogen 2.646 N/A VAL 153.A N GLN 139.A OE1 no hydrogen 2.696 N/A LYS 154.A N VAL 129.A O no hydrogen 3.127 N/A ALA 157.A N LYS 154.A O no hydrogen 3.364 N/A SER 159.A N LYS 156.A O no hydrogen 2.890 N/A SER 159.A OG ASP 158.A OD2 no hydrogen 3.209 N/A LEU 160.A N ALA 157.A O no hydrogen 3.113 N/A PHE 161.A N ALA 157.A O no hydrogen 3.157 N/A VAL 164.A N PHE 161.A O no hydrogen 2.998 N/A SER 165.A N PHE 161.A O no hydrogen 3.059 N/A ALA 166.A N PRO 162.A O no hydrogen 2.818 N/A ALA 167.A N VAL 163.A O no hydrogen 3.034 N/A SER 168.A N VAL 164.A O no hydrogen 2.763 N/A ILE 169.A N SER 165.A O no hydrogen 3.273 N/A PHE 170.A N ALA 166.A O no hydrogen 3.191 N/A ALA 171.A N ALA 167.A O no hydrogen 3.161 N/A LYS 172.A N SER 168.A O no hydrogen 2.987 N/A VAL 173.A N ILE 169.A O no hydrogen 2.827 N/A ALA 174.A N PHE 170.A O no hydrogen 2.814 N/A ARG 175.A N ALA 171.A O no hydrogen 2.834 N/A ARG 175.A NH1 LEU 33.A O no hydrogen 2.966 N/A ARG 175.A NH1 PRO 35.A O no hydrogen 2.903 N/A ARG 175.A NH2 LEU 33.A O no hydrogen 3.334 N/A ASP 176.A N LYS 172.A O no hydrogen 2.908 N/A LYS 177.A N VAL 173.A O no hydrogen 2.969 N/A ALA 178.A N ALA 174.A O no hydrogen 3.047 N/A VAL 179.A N ARG 175.A O no hydrogen 3.246 N/A LYS 180.A N ASP 176.A O no hydrogen 3.073 N/A ASN 181.A N LYS 177.A O no hydrogen 3.064 N/A TRP 182.A N ALA 178.A O no hydrogen 3.137 N/A GLN 183.A N VAL 179.A O no hydrogen 3.016 N/A PHE 184.A N LYS 180.A O no hydrogen 2.842 N/A VAL 185.A N ASN 181.A O no hydrogen 3.293 N/A GLU 186.A N TRP 182.A O no hydrogen 2.817 N/A ASN 187.A N GLN 183.A O no hydrogen 2.996 N/A ASN 187.A ND2 SER 193.A OG no hydrogen 3.040 N/A LEU 188.A N PHE 184.A O no hydrogen 2.961 N/A GLN 189.A N VAL 185.A O no hydrogen 2.867 N/A GLN 189.A NE2 GLU 186.A OE2 no hydrogen 3.525 N/A ASP 190.A N ASN 187.A O no hydrogen 3.020 N/A LEU 191.A N GLU 186.A O no hydrogen 2.728 N/A SER 193.A OG ASN 187.A OD1 no hydrogen 3.015 N/A ASP 194.A N ASP 192.A OD2 no hydrogen 3.458 N/A SER 197.A N ASP 202.A OD2 no hydrogen 3.220 N/A SER 197.A OG ASP 202.A OD2 no hydrogen 2.944 N/A GLY 198.A N THR 205.A OG1 no hydrogen 3.104 N/A TYR 199.A N SER 197.A OG no hydrogen 3.340 N/A ASP 202.A N TYR 199.A O no hydrogen 3.138 N/A LYS 204.A N ASP 202.A OD1 no hydrogen 2.870 N/A LYS 204.A NZ ASP 194.A OD1 no hydrogen 3.556 N/A LYS 204.A NZ ASP 194.A OD2 no hydrogen 2.918 N/A THR 205.A OG1 TYR 195.A O no hydrogen 3.117 N/A LYS 206.A N ASP 202.A O no hydrogen 2.836 N/A LYS 206.A NZ PRO 200.A O no hydrogen 3.042 N/A ALA 207.A N PRO 203.A O no hydrogen 2.815 N/A TRP 208.A N LYS 204.A O no hydrogen 2.893 N/A LEU 209.A N THR 205.A O no hydrogen 3.065 N/A ARG 210.A N LYS 206.A O no hydrogen 3.023 N/A LYS 211.A N ALA 207.A O no hydrogen 3.003 N/A HIS 212.A N LEU 209.A O no hydrogen 2.957 N/A HIS 212.A ND1 TRP 208.A O no hydrogen 2.748 N/A ASP 214.A N GLY 218.A O no hydrogen 2.690 N/A VAL 216.A N ASP 214.A OD2 no hydrogen 3.152 N/A PHE 217.A N ASP 214.A OD2 no hydrogen 2.950 N/A GLY 218.A N ASP 214.A O no hydrogen 2.780 N/A VAL 223.A N PRO 220.A O no hydrogen 3.088 N/A ARG 224.A N VAL 32.A O no hydrogen 2.651 N/A ARG 224.A NE GLY 34.A O no hydrogen 3.000 N/A ARG 224.A NH1 GLY 28.A O no hydrogen 2.800 N/A ARG 224.A NH1 ARG 29.A O no hydrogen 2.832 N/A ARG 224.A NH2 GLY 28.A O no hydrogen 2.761 N/A ARG 224.A NH2 GLY 34.A O no hydrogen 2.960 N/A PHE 225.A N SER 91.A OG no hydrogen 2.650 N/A TRP 227.A N ARG 224.A O no hydrogen 3.188 N/A TRP 227.A NE1 GLY 30.A O no hydrogen 3.270 N/A GLN 231.A N TRP 227.A O no hydrogen 2.908 N/A GLN 231.A NE2 PHE 225.A O no hydrogen 2.844 N/A ALA 232.A N SER 228.A O no hydrogen 2.827 N/A ILE 233.A N THR 229.A O no hydrogen 3.082 N/A LEU 234.A N ALA 230.A O no hydrogen 3.151 N/A GLU 235.A N GLN 231.A O no hydrogen 2.978 N/A LYS 236.A N ILE 233.A O no hydrogen 3.089 N/A LYS 236.A NZ ALA 232.A O no hydrogen 2.871 N/A GLU 237.A N ILE 233.A O no hydrogen 2.814 N/A ALA 238.A N LEU 234.A O no hydrogen 3.174 N/A GLU 239.A N PRO 215.A O no hydrogen 2.714 N/A TRP 243.A N SER 246.A O no hydrogen 3.162 N/A TYR 250.A N PRO 247.A O no hydrogen 3.196 N/A GLU 253.A N ARG 249.A O no hydrogen 2.792 N/A GLU 253.A N TYR 250.A O no hydrogen 3.060 N/A ARG 254.A N TYR 250.A O no hydrogen 3.305 N/A ARG 254.A N PHE 251.A O no hydrogen 3.359 N/A GLY 255.A N PHE 251.A O no hydrogen 2.886 N/A LEU 256.A N PHE 251.A O no hydrogen 2.737 N/A