Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3piy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N TYR 2.A O no hydrogen 2.678 N/A GLU 6.A N GLY 3.A O no hydrogen 2.859 N/A ILE 7.A N VAL 67.A O no hydrogen 2.578 N/A LYS 10.A N ASP 8.A OD2 no hydrogen 2.943 N/A ASP 11.A N ASP 8.A O no hydrogen 3.018 N/A LEU 12.A N PRO 9.A O no hydrogen 3.321 N/A THR 13.A N LYS 30.A O no hydrogen 2.811 N/A LEU 15.A N TYR 28.A O no hydrogen 3.035 N/A LYS 16.A N TYR 28.A O no hydrogen 3.402 N/A LEU 18.A N VAL 26.A O no hydrogen 2.766 N/A GLY 19.A N VAL 26.A O no hydrogen 3.253 N/A GLY 21.A N GLY 24.A O no hydrogen 2.963 N/A PHE 23.A N VAL 150.A O no hydrogen 2.887 N/A VAL 25.A N MET 41.A O no hydrogen 2.987 N/A VAL 26.A N GLY 19.A O no hydrogen 2.919 N/A LYS 27.A N ILE 39.A O no hydrogen 2.790 N/A TYR 28.A N LYS 16.A O no hydrogen 2.663 N/A TYR 28.A OH ASP 36.A OD1 no hydrogen 2.487 N/A GLY 29.A N VAL 37.A O no hydrogen 2.892 N/A LYS 30.A N THR 13.A O no hydrogen 3.071 N/A LYS 30.A NZ GLN 34.A O no hydrogen 3.485 N/A TRP 31.A N TYR 35.A O no hydrogen 3.126 N/A ARG 32.A N ASP 11.A O no hydrogen 2.668 N/A GLN 34.A N TRP 31.A O no hydrogen 3.284 N/A TYR 35.A N TRP 31.A O no hydrogen 3.267 N/A VAL 37.A N GLY 29.A O no hydrogen 3.063 N/A ALA 38.A N THR 78.A O no hydrogen 3.132 N/A ILE 39.A N LYS 27.A O no hydrogen 2.788 N/A LYS 40.A N ILE 76.A O no hydrogen 2.706 N/A LYS 40.A NZ ARG 148.A O no hydrogen 2.481 N/A MET 41.A N VAL 25.A O no hydrogen 2.783 N/A ILE 42.A N ILE 74.A O no hydrogen 3.109 N/A ILE 47.A N GLU 43.A O no hydrogen 3.293 N/A ILE 47.A N ASP 44.A O no hydrogen 3.187 N/A GLU 48.A N ASP 44.A O no hydrogen 3.088 N/A GLU 49.A N GLU 45.A O no hydrogen 2.973 N/A LYS 51.A N ILE 47.A O no hydrogen 3.053 N/A VAL 52.A N GLU 48.A O no hydrogen 3.246 N/A MET 53.A N GLU 49.A O no hydrogen 3.149 N/A MET 54.A N ALA 50.A O no hydrogen 2.968 N/A MET 54.A N LYS 51.A O no hydrogen 3.202 N/A ASN 55.A N VAL 52.A O no hydrogen 2.741 N/A ASN 55.A ND2 LYS 51.A O no hydrogen 3.355 N/A LEU 56.A N MET 53.A O no hydrogen 3.387 N/A SER 57.A N TYR 115.A OH no hydrogen 3.306 N/A SER 57.A OG GLN 63.A OE1 no hydrogen 2.846 N/A GLU 59.A N GLU 59.A OE2 no hydrogen 2.520 N/A LYS 60.A N HIS 58.A ND1 no hydrogen 2.926 N/A LYS 60.A NZ ASP 108.A OD2 no hydrogen 2.940 N/A LYS 60.A NZ GLU 111.A OE2 no hydrogen 2.887 N/A LEU 61.A N HIS 58.A O no hydrogen 3.202 N/A VAL 62.A N VAL 141.A O no hydrogen 2.992 N/A GLN 63.A N GLU 79.A OE2 no hydrogen 2.763 N/A GLN 63.A NE2 LEU 64.A O no hydrogen 3.186 N/A TYR 65.A N ILE 77.A O no hydrogen 2.653 N/A GLY 66.A N ILE 77.A O no hydrogen 3.327 N/A VAL 67.A N TRP 5.A O no hydrogen 2.753 N/A CYS 68.A N PHE 75.A O no hydrogen 3.142 N/A CYS 68.A SG ILE 7.A O no hydrogen 3.409 N/A THR 69.A OG1 GLU 6.A OE1 no hydrogen 2.326 N/A PHE 75.A N CYS 68.A O no hydrogen 3.456 N/A ILE 76.A N LYS 40.A O no hydrogen 2.834 N/A ILE 77.A N GLY 66.A O no hydrogen 3.116 N/A THR 78.A N ALA 38.A O no hydrogen 2.923 N/A THR 78.A OG1 GLU 79.A O no hydrogen 3.150 N/A GLU 79.A N GLN 63.A O no hydrogen 2.854 N/A ASN 83.A N VAL 133.A O no hydrogen 2.897 N/A ASN 83.A ND2 ASN 134.A O no hydrogen 2.686 N/A GLY 84.A N MET 81.A O no hydrogen 3.143 N/A CYS 85.A SG ARG 129.A O no hydrogen 3.676 N/A LEU 86.A N CYS 131.A O no hydrogen 3.037 N/A TYR 89.A N CYS 85.A O no hydrogen 2.784 N/A LEU 90.A N LEU 86.A O no hydrogen 2.826 N/A ARG 91.A N LEU 87.A O no hydrogen 3.283 N/A ARG 91.A NE GLY 198.A O no hydrogen 2.911 N/A ARG 91.A NH2 GLY 198.A O no hydrogen 2.676 N/A GLU 92.A N TYR 89.A O no hydrogen 3.301 N/A ARG 94.A NE GLU 92.A OE2 no hydrogen 3.250 N/A HIS 95.A N GLU 92.A O no hydrogen 3.117 N/A HIS 95.A ND1 TYR 89.A O no hydrogen 2.992 N/A GLN 98.A N GLN 101.A OE1 no hydrogen 2.735 N/A GLN 98.A NE2 GLN 101.A OE1 no hydrogen 3.679 N/A LEU 102.A N GLN 98.A O no hydrogen 3.363 N/A LEU 103.A N THR 99.A O no hydrogen 3.041 N/A GLU 104.A N GLN 100.A O no hydrogen 3.063 N/A MET 105.A N GLN 101.A O no hydrogen 3.076 N/A CYS 106.A N LEU 102.A O no hydrogen 2.994 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.475 N/A LYS 107.A N LEU 103.A O no hydrogen 2.740 N/A LYS 107.A NZ GLU 111.A OE1 no hydrogen 2.776 N/A ASP 108.A N GLU 104.A O no hydrogen 2.926 N/A CYS 110.A N CYS 106.A O no hydrogen 2.853 N/A CYS 110.A SG PHE 248.A O no hydrogen 4.036 N/A GLU 111.A N LYS 107.A O no hydrogen 2.879 N/A ALA 112.A N ASP 108.A O no hydrogen 3.074 N/A MET 113.A N VAL 109.A O no hydrogen 2.813 N/A GLU 114.A N CYS 110.A O no hydrogen 2.887 N/A TYR 115.A N GLU 111.A O no hydrogen 3.292 N/A LEU 116.A N ALA 112.A O no hydrogen 3.220 N/A GLU 117.A N MET 113.A O no hydrogen 2.817 N/A SER 118.A N GLU 114.A O no hydrogen 2.754 N/A SER 118.A OG TYR 115.A O no hydrogen 2.752 N/A LYS 119.A N TYR 115.A O no hydrogen 2.941 N/A LYS 119.A N LEU 116.A O no hydrogen 3.058 N/A GLN 120.A N GLU 117.A O no hydrogen 2.710 N/A PHE 121.A N LEU 116.A O no hydrogen 2.865 N/A HIS 123.A N ASP 183.A OD2 no hydrogen 2.524 N/A HIS 123.A NE2 SER 142.A O no hydrogen 2.704 N/A ARG 124.A N ASP 183.A OD1 no hydrogen 2.899 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.152 N/A ALA 128.A N GLU 193.A OE2 no hydrogen 3.024 N/A ARG 129.A NH2 ASP 125.A OD2 no hydrogen 3.454 N/A ASN 130.A N ALA 127.A O no hydrogen 3.109 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.732 N/A CYS 131.A N ALA 128.A O no hydrogen 3.079 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.368 N/A LEU 132.A N LYS 140.A O no hydrogen 2.937 N/A VAL 133.A N GLY 84.A O no hydrogen 3.067 N/A ASN 134.A N VAL 138.A O no hydrogen 2.985 N/A GLN 136.A N ASN 134.A OD1 no hydrogen 2.804 N/A GLY 137.A N ASN 134.A O no hydrogen 3.085 N/A VAL 138.A N ASN 134.A OD1 no hydrogen 3.383 N/A VAL 139.A N ASP 108.A OD1 no hydrogen 2.886 N/A LYS 140.A N LEU 132.A O no hydrogen 2.887 N/A LYS 140.A NZ GLU 59.A O no hydrogen 3.081 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 2.602 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 3.370 N/A VAL 141.A N LYS 60.A O no hydrogen 3.015 N/A SER 142.A N ASN 130.A O no hydrogen 3.138 N/A SER 142.A OG PHE 144.A O no hydrogen 2.459 N/A LEU 146.A N ASN 130.A OD1 no hydrogen 2.935 N/A ARG 148.A N GLY 145.A O no hydrogen 3.157 N/A ARG 148.A NE GLU 49.A OE2 no hydrogen 2.944 N/A ARG 148.A NH2 GLU 49.A OE1 no hydrogen 2.999 N/A TYR 149.A N ASP 152.A O no hydrogen 3.196 N/A VAL 150.A N SER 147.A O no hydrogen 3.154 N/A LEU 151.A N SER 147.A O no hydrogen 3.131 N/A ASP 152.A N SER 147.A O no hydrogen 3.496 N/A GLU 154.A N GLU 154.A OE2 no hydrogen 2.915 N/A SER 157.A N ASP 153.A O no hydrogen 2.968 N/A SER 157.A OG ASP 153.A O no hydrogen 3.104 N/A VAL 159.A N THR 156.A O no hydrogen 3.237 N/A LYS 162.A N VAL 159.A O no hydrogen 3.293 N/A PHE 163.A N GLY 160.A O no hydrogen 3.081 N/A VAL 165.A N PHE 163.A O no hydrogen 2.784 N/A ARG 166.A NH1 PHE 205.A O no hydrogen 3.094 N/A ARG 166.A NH2 PRO 201.A O no hydrogen 3.328 N/A ARG 166.A NH2 PHE 205.A O no hydrogen 2.990 N/A TRP 167.A N PRO 164.A O no hydrogen 3.201 N/A TRP 167.A NE1 GLU 193.A OE2 no hydrogen 2.769 N/A SER 168.A N VAL 165.A O no hydrogen 3.059 N/A SER 168.A OG PRO 164.A O no hydrogen 2.665 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.917 N/A VAL 172.A N PRO 169.A O no hydrogen 3.050 N/A LEU 173.A N PRO 169.A O no hydrogen 3.209 N/A MET 174.A N PRO 170.A O no hydrogen 2.948 N/A TYR 175.A N GLU 171.A O no hydrogen 2.977 N/A SER 176.A N VAL 172.A O no hydrogen 3.126 N/A LYS 177.A N GLU 171.A O no hydrogen 3.084 N/A SER 179.A N SER 182.A OG no hydrogen 3.129 N/A LYS 181.A N SER 179.A OG no hydrogen 2.981 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.982 N/A LYS 181.A NZ PRO 246.A O no hydrogen 3.341 N/A SER 182.A N SER 179.A O no hydrogen 2.902 N/A SER 182.A OG SER 179.A O no hydrogen 2.612 N/A ILE 184.A N SER 180.A O no hydrogen 3.146 N/A TRP 185.A N LYS 181.A O no hydrogen 3.362 N/A ALA 186.A N SER 182.A O no hydrogen 3.109 N/A PHE 187.A N ASP 183.A O no hydrogen 2.906 N/A GLY 188.A N ILE 184.A O no hydrogen 3.105 N/A VAL 189.A N TRP 185.A O no hydrogen 3.142 N/A LEU 190.A N ALA 186.A O no hydrogen 2.835 N/A MET 191.A N PHE 187.A O no hydrogen 2.785 N/A TRP 192.A N GLY 188.A O no hydrogen 3.103 N/A GLU 193.A N VAL 189.A O no hydrogen 2.934 N/A ILE 194.A N LEU 190.A O no hydrogen 2.977 N/A TYR 195.A N MET 191.A O no hydrogen 2.879 N/A SER 196.A N TRP 192.A O no hydrogen 3.017 N/A SER 196.A OG TRP 192.A O no hydrogen 2.716 N/A SER 196.A OG GLU 193.A O no hydrogen 3.172 N/A LEU 197.A N ILE 194.A O no hydrogen 3.127 N/A GLY 198.A N GLU 193.A O no hydrogen 2.824 N/A LYS 199.A NZ GLU 203.A OE1 no hydrogen 3.149 N/A LYS 199.A NZ GLU 203.A OE2 no hydrogen 3.555 N/A LYS 199.A NZ TYR 221.A OH no hydrogen 3.515 N/A PHE 205.A N TYR 202.A O no hydrogen 2.957 N/A THR 206.A N GLU 209.A OE2 no hydrogen 2.943 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.313 N/A THR 210.A N THR 206.A O no hydrogen 2.922 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.576 N/A ALA 211.A N ASN 207.A O no hydrogen 2.828 N/A GLU 212.A N SER 208.A O no hydrogen 2.964 N/A HIS 213.A N GLU 209.A O no hydrogen 2.982 N/A HIS 213.A ND1 GLU 209.A O no hydrogen 2.582 N/A ILE 214.A N THR 210.A O no hydrogen 2.958 N/A ALA 215.A N ALA 211.A O no hydrogen 3.245 N/A GLY 217.A N ILE 214.A O no hydrogen 2.826 N/A LEU 218.A N HIS 213.A O no hydrogen 2.786 N/A ARG 219.A NE TRP 238.A O no hydrogen 2.813 N/A ARG 219.A NH1 ILE 214.A O no hydrogen 3.199 N/A ARG 219.A NH1 LEU 218.A O no hydrogen 3.112 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 2.975 N/A TYR 221.A OH GLU 203.A OE1 no hydrogen 3.154 N/A ARG 222.A NH1 ALA 226.A O no hydrogen 2.474 N/A ALA 226.A N PRO 223.A O no hydrogen 2.766 N/A SER 227.A OG GLU 262.A OE1 no hydrogen 2.935 N/A SER 227.A OG GLU 262.A OE2 no hydrogen 3.236 N/A LYS 229.A NZ GLU 261.A OE1 no hydrogen 3.097 N/A VAL 230.A N SER 227.A OG no hydrogen 3.111 N/A TYR 231.A N SER 227.A O no hydrogen 2.855 N/A TYR 231.A OH LEU 220.A O no hydrogen 2.637 N/A THR 232.A N GLU 228.A O no hydrogen 2.907 N/A THR 232.A OG1 GLU 228.A O no hydrogen 3.089 N/A ILE 233.A N LYS 229.A O no hydrogen 3.406 N/A ILE 233.A N VAL 230.A O no hydrogen 3.122 N/A TYR 235.A N TYR 231.A O no hydrogen 2.825 N/A SER 236.A N THR 232.A O no hydrogen 2.930 N/A SER 236.A OG ILE 233.A O no hydrogen 2.553 N/A CYS 237.A N MET 234.A O no hydrogen 3.112 N/A CYS 237.A SG ILE 184.A O no hydrogen 3.374 N/A CYS 237.A SG ILE 233.A O no hydrogen 3.808 N/A TRP 238.A N TYR 235.A O no hydrogen 2.579 N/A LYS 241.A N HIS 239.A ND1 no hydrogen 3.106 N/A ASP 243.A N ASP 243.A OD1 no hydrogen 2.510 N/A GLU 244.A N LYS 241.A O no hydrogen 3.080 N/A ARG 245.A N ALA 242.A O no hydrogen 3.060 N/A ARG 245.A NE HIS 239.A O no hydrogen 2.628 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.841 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 2.825 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.900 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 3.329 N/A ARG 245.A NH2 HIS 239.A O no hydrogen 3.040 N/A PHE 248.A N GLU 117.A OE1 no hydrogen 2.979 N/A PHE 248.A N GLU 117.A OE2 no hydrogen 3.508 N/A ILE 250.A N THR 247.A OG1 no hydrogen 3.273 N/A LEU 251.A N THR 247.A O no hydrogen 3.163 N/A LEU 252.A N PHE 248.A O no hydrogen 3.119 N/A SER 253.A N LYS 249.A O no hydrogen 3.320 N/A SER 253.A OG ILE 250.A O no hydrogen 3.033 N/A ASN 254.A N ILE 250.A O no hydrogen 2.878 N/A ILE 255.A N LEU 251.A O no hydrogen 2.687 N/A LEU 256.A N LEU 252.A O no hydrogen 2.757 N/A ASP 257.A N SER 253.A O no hydrogen 3.000 N/A VAL 258.A N ASN 254.A O no hydrogen 3.124 N/A MET 259.A N ILE 255.A O no hydrogen 3.092 N/A ASP 260.A N LEU 256.A O no hydrogen 3.031 N/A ASP 260.A N ASP 257.A O no hydrogen 3.050 N/A GLU 261.A N ASP 257.A O no hydrogen 3.135 N/A GLU 261.A N VAL 258.A O no hydrogen 2.965 N/A GLU 262.A N VAL 258.A O no hydrogen 2.863 N/A