Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f6x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N ASP 4.A OD1 no hydrogen 2.805 N/A GLU 7.A N ASP 4.A O no hydrogen 3.070 N/A SER 12.A N PRO 9.A O no hydrogen 2.851 N/A SER 12.A OG PRO 9.A O no hydrogen 2.554 N/A LEU 13.A N ARG 10.A O no hydrogen 2.797 N/A ARG 14.A N THR 31.A O no hydrogen 3.329 N/A GLU 16.A N MET 29.A O no hydrogen 2.978 N/A VAL 17.A N MET 29.A O no hydrogen 3.212 N/A LYS 18.A NZ GLU 26.A OE1 no hydrogen 2.784 N/A LEU 19.A N VAL 27.A O no hydrogen 2.771 N/A VAL 27.A N GLY 20.A O no hydrogen 3.335 N/A TRP 28.A N ILE 40.A O no hydrogen 2.617 N/A MET 29.A N VAL 17.A O no hydrogen 2.986 N/A GLY 30.A N VAL 38.A O no hydrogen 2.966 N/A THR 31.A N ARG 14.A O no hydrogen 3.436 N/A THR 31.A OG1 GLU 16.A OE1 no hydrogen 2.665 N/A TRP 32.A N THR 36.A O no hydrogen 2.671 N/A ASN 33.A N SER 12.A O no hydrogen 2.832 N/A THR 35.A N TRP 32.A O no hydrogen 3.053 N/A THR 35.A OG1 ASN 33.A O no hydrogen 3.389 N/A THR 36.A N TRP 32.A O no hydrogen 3.050 N/A THR 36.A OG1 TRP 32.A O no hydrogen 2.950 N/A VAL 38.A N GLY 30.A O no hydrogen 2.966 N/A ALA 39.A N THR 79.A O no hydrogen 3.045 N/A ILE 40.A N TRP 28.A O no hydrogen 2.768 N/A LYS 41.A N ILE 77.A O no hydrogen 3.228 N/A LYS 41.A NZ GLU 51.A OE1 no hydrogen 2.792 N/A LYS 41.A NZ GLU 51.A OE2 no hydrogen 3.360 N/A PHE 48.A N SER 44.A O no hydrogen 3.086 N/A LEU 49.A N PRO 45.A O no hydrogen 3.259 N/A GLN 50.A N ALA 47.A O no hydrogen 2.945 N/A ALA 52.A N LEU 49.A O no hydrogen 3.054 N/A GLN 53.A N LEU 49.A O no hydrogen 3.006 N/A GLN 53.A NE2 LEU 49.A O no hydrogen 3.467 N/A VAL 54.A N GLN 50.A O no hydrogen 3.192 N/A MET 55.A N GLU 51.A O no hydrogen 2.860 N/A LYS 56.A N ALA 52.A O no hydrogen 2.805 N/A LYS 56.A NZ ASP 4.A OD2 no hydrogen 2.773 N/A LYS 57.A N VAL 54.A O no hydrogen 3.027 N/A LEU 58.A N VAL 54.A O no hydrogen 3.180 N/A ARG 59.A N TYR 117.A OH no hydrogen 2.682 N/A LYS 62.A N HIS 60.A ND1 no hydrogen 3.036 N/A LYS 62.A NZ GLN 110.A OE1 no hydrogen 2.977 N/A LEU 63.A N HIS 60.A O no hydrogen 3.084 N/A VAL 64.A N VAL 143.A O no hydrogen 2.960 N/A GLN 65.A N GLU 80.A OE1 no hydrogen 3.143 N/A GLN 65.A NE2 LEU 66.A O no hydrogen 2.701 N/A TYR 67.A N VAL 78.A O no hydrogen 2.852 N/A ALA 68.A N VAL 78.A O no hydrogen 3.301 N/A VAL 69.A N TRP 6.A O no hydrogen 3.109 N/A VAL 70.A N TYR 76.A O no hydrogen 3.336 N/A SER 71.A N GLU 7.A OE1 no hydrogen 3.155 N/A SER 71.A N GLU 7.A OE2 no hydrogen 3.381 N/A SER 71.A OG GLU 7.A OE1 no hydrogen 2.836 N/A TYR 76.A N VAL 70.A O no hydrogen 3.191 N/A VAL 78.A N ALA 68.A O no hydrogen 2.907 N/A THR 79.A N ALA 39.A O no hydrogen 2.944 N/A THR 79.A OG1 GLU 80.A O no hydrogen 3.170 N/A GLU 80.A N GLN 65.A O no hydrogen 2.839 N/A SER 83.A OG GLU 137.A OE1 no hydrogen 3.156 N/A LYS 84.A N VAL 135.A O no hydrogen 2.894 N/A SER 86.A OG ASP 89.A OD2 no hydrogen 3.049 N/A LEU 87.A N ILE 133.A O no hydrogen 2.773 N/A LEU 88.A N ALA 130.A O no hydrogen 3.290 N/A ASP 89.A N SER 86.A OG no hydrogen 3.160 N/A PHE 90.A N SER 86.A O no hydrogen 2.995 N/A LEU 91.A N LEU 87.A O no hydrogen 2.640 N/A LYS 92.A N LEU 88.A O no hydrogen 3.180 N/A GLY 93.A N ASP 89.A O no hydrogen 2.833 N/A GLY 96.A N GLY 93.A O no hydrogen 2.689 N/A TYR 98.A N MET 95.A O no hydrogen 3.288 N/A ARG 100.A N GLN 103.A OE1 no hydrogen 2.651 N/A ARG 100.A NH1 LYS 97.A O no hydrogen 2.808 N/A ARG 100.A NH1 LEU 99.A O no hydrogen 3.187 N/A LEU 101.A N LEU 264.A OXT no hydrogen 2.894 N/A LEU 104.A N ARG 100.A O no hydrogen 2.965 N/A VAL 105.A N LEU 101.A O no hydrogen 2.780 N/A ASP 106.A N PRO 102.A O no hydrogen 3.307 N/A MET 107.A N GLN 103.A O no hydrogen 3.022 N/A ALA 108.A N LEU 104.A O no hydrogen 3.051 N/A ALA 109.A N VAL 105.A O no hydrogen 2.879 N/A GLN 110.A N ASP 106.A O no hydrogen 3.003 N/A GLN 110.A NE2 ASP 106.A O no hydrogen 3.510 N/A GLN 110.A NE2 ASP 106.A OD2 no hydrogen 2.833 N/A GLN 110.A NE2 LEU 139.A O no hydrogen 3.047 N/A ILE 111.A N MET 107.A O no hydrogen 3.077 N/A ALA 112.A N ALA 108.A O no hydrogen 2.811 N/A SER 113.A N ALA 109.A O no hydrogen 2.969 N/A SER 113.A N GLN 110.A O no hydrogen 2.957 N/A GLY 114.A N GLN 110.A O no hydrogen 2.998 N/A MET 115.A N ILE 111.A O no hydrogen 2.936 N/A ALA 116.A N ALA 112.A O no hydrogen 2.998 N/A TYR 117.A N SER 113.A O no hydrogen 3.325 N/A VAL 118.A N GLY 114.A O no hydrogen 3.107 N/A GLU 119.A N MET 115.A O no hydrogen 2.838 N/A ARG 120.A N ALA 116.A O no hydrogen 2.908 N/A MET 121.A N TYR 117.A O no hydrogen 2.911 N/A ASN 122.A N GLU 119.A O no hydrogen 2.895 N/A TYR 123.A N VAL 118.A O no hydrogen 3.066 N/A VAL 124.A N ARG 150.A O no hydrogen 2.947 N/A HIS 125.A N ASP 175.A OD2 no hydrogen 2.691 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.859 N/A ARG 126.A N ASP 175.A OD1 no hydrogen 2.949 N/A ARG 126.A NE LEU 148.A O no hydrogen 2.797 N/A ARG 126.A NH2 LEU 148.A O no hydrogen 3.396 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 2.910 N/A ARG 129.A NE ASP 127.A OD1 no hydrogen 2.912 N/A ARG 129.A NH2 ASP 127.A OD2 no hydrogen 3.474 N/A ALA 130.A N GLU 185.A OE2 no hydrogen 2.917 N/A ASN 132.A N ARG 129.A O no hydrogen 2.840 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.794 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 2.910 N/A ILE 133.A N ALA 130.A O no hydrogen 3.147 N/A LEU 134.A N LYS 142.A O no hydrogen 2.797 N/A VAL 135.A N GLY 85.A O no hydrogen 2.794 N/A GLY 136.A N VAL 140.A O no hydrogen 2.866 N/A VAL 140.A N GLU 137.A O no hydrogen 3.334 N/A CYS 141.A N GLN 110.A OE1 no hydrogen 2.853 N/A CYS 141.A SG LEU 139.A O no hydrogen 3.964 N/A LYS 142.A N LEU 134.A O no hydrogen 2.889 N/A LYS 142.A NZ GLU 61.A O no hydrogen 3.206 N/A LYS 142.A NZ GLU 80.A OE1 no hydrogen 3.402 N/A LYS 142.A NZ GLU 80.A OE2 no hydrogen 2.594 N/A VAL 143.A N LYS 62.A O no hydrogen 2.972 N/A ALA 144.A N ASN 132.A O no hydrogen 3.053 N/A ALA 149.A N PHE 146.A O no hydrogen 3.056 N/A ARG 150.A N VAL 124.A O no hydrogen 3.057 N/A ILE 152.A N ASN 122.A O no hydrogen 3.359 N/A LYS 158.A NZ PRO 193.A O no hydrogen 3.554 N/A LYS 158.A NZ MET 197.A O no hydrogen 2.921 N/A TRP 159.A N PRO 156.A O no hydrogen 3.059 N/A TRP 159.A NE1 GLU 185.A OE2 no hydrogen 2.878 N/A THR 160.A N ILE 157.A O no hydrogen 2.998 N/A THR 160.A OG1 PRO 156.A O no hydrogen 2.784 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.889 N/A ALA 164.A N ALA 161.A O no hydrogen 2.927 N/A ALA 165.A N ALA 161.A O no hydrogen 2.990 N/A LEU 166.A N PRO 162.A O no hydrogen 2.866 N/A TYR 167.A N GLU 163.A O no hydrogen 3.101 N/A GLY 168.A N ALA 164.A O no hydrogen 3.149 N/A ARG 169.A N GLU 163.A O no hydrogen 3.317 N/A PHE 170.A N GLY 168.A O no hydrogen 3.163 N/A THR 171.A N SER 174.A OG no hydrogen 2.693 N/A LYS 173.A N THR 171.A OG1 no hydrogen 3.251 N/A LYS 173.A NZ ARG 237.A O no hydrogen 2.594 N/A LYS 173.A NZ PRO 238.A O no hydrogen 3.274 N/A SER 174.A N THR 171.A O no hydrogen 2.946 N/A SER 174.A OG THR 171.A O no hydrogen 2.580 N/A ASP 175.A N ILE 172.A O no hydrogen 3.024 N/A VAL 176.A N ILE 172.A O no hydrogen 3.066 N/A TRP 177.A N LYS 173.A O no hydrogen 3.208 N/A SER 178.A N SER 174.A O no hydrogen 3.281 N/A SER 178.A OG TRP 159.A O no hydrogen 2.546 N/A SER 178.A OG SER 174.A O no hydrogen 3.213 N/A PHE 179.A N ASP 175.A O no hydrogen 2.848 N/A GLY 180.A N VAL 176.A O no hydrogen 3.033 N/A ILE 181.A N TRP 177.A O no hydrogen 3.180 N/A LEU 182.A N SER 178.A O no hydrogen 2.754 N/A LEU 183.A N PHE 179.A O no hydrogen 2.794 N/A LEU 183.A N GLY 180.A O no hydrogen 3.025 N/A THR 184.A N GLY 180.A O no hydrogen 3.354 N/A THR 184.A N ILE 181.A O no hydrogen 3.043 N/A THR 184.A OG1 ILE 181.A O no hydrogen 2.633 N/A GLU 185.A N ILE 181.A O no hydrogen 3.316 N/A LEU 186.A N LEU 182.A O no hydrogen 3.125 N/A THR 187.A N LEU 183.A O no hydrogen 2.937 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.935 N/A THR 187.A OG1 THR 184.A O no hydrogen 3.238 N/A THR 188.A N THR 184.A O no hydrogen 2.895 N/A THR 188.A OG1 THR 184.A O no hydrogen 2.715 N/A LYS 189.A N LEU 186.A O no hydrogen 3.385 N/A LYS 189.A NZ ASN 263.A O no hydrogen 2.763 N/A GLY 190.A N GLU 185.A O no hydrogen 2.505 N/A ARG 191.A N THR 188.A OG1 no hydrogen 3.268 N/A MET 197.A N TYR 194.A O no hydrogen 2.952 N/A VAL 202.A N VAL 198.A O no hydrogen 2.917 N/A LEU 203.A N ASN 199.A O no hydrogen 2.912 N/A ASP 204.A N ARG 200.A O no hydrogen 3.147 N/A GLN 205.A N GLU 201.A O no hydrogen 2.921 N/A VAL 206.A N VAL 202.A O no hydrogen 2.892 N/A GLU 207.A N LEU 203.A O no hydrogen 3.120 N/A ARG 208.A N ASP 204.A O no hydrogen 3.108 N/A ARG 208.A N GLN 205.A O no hydrogen 2.850 N/A GLY 209.A N VAL 206.A O no hydrogen 2.909 N/A TYR 210.A N GLN 205.A O no hydrogen 3.082 N/A ARG 211.A NE TRP 230.A O no hydrogen 2.945 N/A ARG 211.A NH1 VAL 206.A O no hydrogen 3.095 N/A ARG 211.A NH1 TYR 210.A O no hydrogen 2.685 N/A ARG 211.A NH2 TRP 230.A O no hydrogen 2.749 N/A CYS 214.A SG PRO 215.A O no hydrogen 3.659 N/A CYS 214.A SG CYS 218.A O no hydrogen 2.928 N/A CYS 214.A SG GLU 220.A OE1 no hydrogen 3.827 N/A CYS 214.A SG GLU 220.A OE2 no hydrogen 3.352 N/A CYS 218.A N PRO 215.A O no hydrogen 3.096 N/A CYS 218.A SG PRO 219.A O no hydrogen 3.554 N/A SER 221.A OG TYR 250.A OH no hydrogen 2.618 N/A SER 221.A OG GLU 255.A OE2 no hydrogen 2.678 N/A LEU 222.A N PRO 219.A O no hydrogen 3.167 N/A HIS 223.A N PRO 219.A O no hydrogen 3.265 N/A HIS 223.A NE2 MET 212.A O no hydrogen 2.889 N/A ASP 224.A N GLU 220.A O no hydrogen 2.837 N/A LEU 225.A N SER 221.A O no hydrogen 3.207 N/A MET 226.A N LEU 222.A O no hydrogen 3.091 N/A CYS 227.A N HIS 223.A O no hydrogen 2.957 N/A CYS 227.A SG HIS 223.A O no hydrogen 3.359 N/A GLN 228.A N ASP 224.A O no hydrogen 2.887 N/A GLN 228.A N LEU 225.A O no hydrogen 2.960 N/A GLN 228.A NE2 ASP 224.A O no hydrogen 3.341 N/A CYS 229.A N LEU 225.A O no hydrogen 3.054 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.484 N/A TRP 230.A N CYS 227.A O no hydrogen 3.272 N/A ARG 231.A N GLN 228.A O no hydrogen 3.386 N/A ARG 231.A NH1 GLU 236.A O no hydrogen 2.716 N/A GLU 235.A N ASP 233.A OD2 no hydrogen 2.883 N/A GLU 236.A N ASP 233.A O no hydrogen 2.889 N/A ARG 237.A N PRO 234.A O no hydrogen 3.463 N/A ARG 237.A NE LYS 173.A O no hydrogen 3.385 N/A ARG 237.A NH1 ARG 231.A O no hydrogen 2.749 N/A ARG 237.A NH2 GLU 163.A OE2 no hydrogen 2.758 N/A ARG 237.A NH2 LYS 173.A O no hydrogen 3.105 N/A PHE 240.A N GLU 119.A OE2 no hydrogen 2.990 N/A TYR 242.A N THR 239.A OG1 no hydrogen 3.031 N/A LEU 243.A N THR 239.A O no hydrogen 3.080 N/A GLN 244.A N PHE 240.A O no hydrogen 2.692 N/A GLN 244.A NE2 GLU 248.A OE2 no hydrogen 3.293 N/A ALA 245.A N GLU 241.A O no hydrogen 3.173 N/A PHE 246.A N TYR 242.A O no hydrogen 2.904 N/A LEU 247.A N LEU 243.A O no hydrogen 3.136 N/A GLU 248.A N GLN 244.A O no hydrogen 3.003 N/A ASP 249.A N ALA 245.A O no hydrogen 3.202 N/A TYR 250.A N LEU 247.A O no hydrogen 3.305 N/A TYR 250.A OH SER 221.A OG no hydrogen 2.618 N/A THR 252.A N ASP 249.A O no hydrogen 2.887 N/A SER 253.A N ASP 249.A O no hydrogen 2.979 N/A THR 254.A N TYR 250.A O no hydrogen 3.023 N/A GLU 255.A N TYR 250.A O no hydrogen 2.832 N/A TYR 258.A N GLU 255.A O no hydrogen 3.137 N/A TYR 258.A OH LEU 264.A OXT no hydrogen 2.563 N/A GLY 261.A N LEU 264.A O no hydrogen 2.800 N/A ASN 263.A N GLU 217.A OE1 no hydrogen 3.161 N/A ASN 263.A N GLU 217.A OE2 no hydrogen 3.178 N/A ASN 263.A ND2 GLU 217.A OE2 no hydrogen 2.721 N/A LEU 264.A N GLU 217.A OE1 no hydrogen 3.222 N/A