Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jya_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 6.A O no hydrogen 3.265 N/A LEU 10.A N VAL 7.A O no hydrogen 2.447 N/A CYS 11.A N VAL 7.A O no hydrogen 3.300 N/A CYS 11.A SG LEU 18.A O no hydrogen 3.037 N/A ARG 12.A NH1 TYR 37.A O no hydrogen 2.745 N/A GLY 15.A N ARG 12.A O no hydrogen 2.778 N/A GLU 23.A N LYS 21.A O no hydrogen 2.828 N/A CYS 25.A SG LEU 18.A O no hydrogen 3.909 N/A SER 27.A N ARG 24.A O no hydrogen 2.665 N/A LYS 29.A NZ SER 27.A O no hydrogen 3.099 N/A LYS 29.A NZ PRO 28.A O no hydrogen 2.643 N/A CYS 30.A SG LEU 18.A O no hydrogen 2.758 N/A ARG 34.A NE PRO 28.A O no hydrogen 3.204 N/A ARG 35.A N ALA 31.A O no hydrogen 3.403 N/A GLY 43.A N GLY 40.A O no hydrogen 2.892 N/A LYS 45.A N HIS 42.A O no hydrogen 2.802 N/A LYS 45.A NZ HIS 42.A ND1 no hydrogen 3.191 N/A ARG 49.A NH1 PRO 50.A O no hydrogen 2.682 N/A ARG 49.A NH2 PRO 50.A O no hydrogen 3.178 N/A ALA 54.A N SER 51.A OG no hydrogen 3.210 N/A VAL 55.A N SER 51.A O no hydrogen 2.869 N/A ARG 56.A N ASP 52.A O no hydrogen 3.467 N/A ARG 56.A NH1 ASP 52.A O no hydrogen 3.258 N/A LEU 57.A N TYR 53.A O no hydrogen 2.940 N/A ARG 58.A N ALA 54.A O no hydrogen 2.949 N/A GLU 59.A N VAL 55.A O no hydrogen 3.124 N/A LYS 60.A N ARG 56.A O no hydrogen 3.239 N/A LYS 60.A NZ GLN 61.A OE1 no hydrogen 2.904 N/A LYS 60.A NZ GLU 71.A OE1 no hydrogen 2.576 N/A GLN 61.A N LEU 57.A O no hydrogen 2.937 N/A LYS 62.A N ARG 58.A O no hydrogen 2.646 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 3.357 N/A LYS 62.A NZ GLU 59.A OE2 no hydrogen 2.817 N/A LYS 62.A NZ PRO 196.A O no hydrogen 3.228 N/A LEU 63.A N GLU 59.A O no hydrogen 3.115 N/A ARG 64.A N LYS 60.A O no hydrogen 2.786 N/A ARG 64.A NH1 ILE 69.A O no hydrogen 3.440 N/A ARG 64.A NH2 GLN 61.A OE1 no hydrogen 3.094 N/A ARG 65.A N GLN 61.A O no hydrogen 2.738 N/A ARG 65.A NH1 GLU 14.A OE1 no hydrogen 3.077 N/A ILE 66.A N LYS 62.A O no hydrogen 3.010 N/A ILE 66.A N LEU 63.A O no hydrogen 3.111 N/A TYR 67.A N ARG 64.A O no hydrogen 2.850 N/A TYR 67.A OH GLU 97.A OE1 no hydrogen 2.959 N/A GLY 68.A N ARG 65.A O no hydrogen 3.383 N/A PHE 74.A N SER 70.A O no hydrogen 2.776 N/A ARG 75.A N GLU 71.A O no hydrogen 2.837 N/A ARG 75.A NH2 GLU 79.A OE1 no hydrogen 2.637 N/A ASN 76.A N ARG 72.A O no hydrogen 3.161 N/A LEU 77.A N GLN 73.A O no hydrogen 3.061 N/A PHE 78.A N PHE 74.A O no hydrogen 2.982 N/A GLU 79.A N ARG 75.A O no hydrogen 2.873 N/A GLU 80.A N ASN 76.A O no hydrogen 2.854 N/A ALA 81.A N LEU 77.A O no hydrogen 2.927 N/A SER 82.A N PHE 78.A O no hydrogen 2.818 N/A SER 82.A OG PHE 78.A O no hydrogen 3.295 N/A LYS 83.A N GLU 79.A O no hydrogen 3.209 N/A LYS 84.A N GLU 80.A O no hydrogen 3.220 N/A THR 88.A OG1 ALA 81.A O no hydrogen 3.015 N/A THR 88.A OG1 SER 82.A O no hydrogen 3.002 N/A THR 88.A OG1 GLY 86.A O no hydrogen 3.371 N/A SER 90.A OG VAL 87.A O no hydrogen 3.039 N/A VAL 91.A N VAL 87.A O no hydrogen 3.224 N/A PHE 92.A N THR 88.A O no hydrogen 3.178 N/A GLY 94.A N SER 90.A O no hydrogen 3.040 N/A LEU 95.A N PHE 92.A O no hydrogen 3.000 N/A LEU 96.A N PHE 92.A O no hydrogen 2.980 N/A GLU 97.A N LEU 93.A O no hydrogen 2.944 N/A SER 98.A N LEU 95.A O no hydrogen 3.204 N/A SER 98.A OG GLY 94.A O no hydrogen 2.901 N/A ARG 99.A N LEU 96.A O no hydrogen 3.404 N/A ARG 99.A NH2 ASP 101.A OD2 no hydrogen 2.846 N/A LEU 100.A N TYR 137.A O no hydrogen 2.895 N/A ASP 101.A N PRO 135.A O no hydrogen 3.125 N/A ASN 102.A ND2 GLU 97.A O no hydrogen 2.806 N/A VAL 103.A N ARG 99.A O no hydrogen 2.998 N/A VAL 104.A N LEU 100.A O no hydrogen 2.750 N/A ARG 106.A N ASN 102.A O no hydrogen 2.710 N/A LEU 107.A N VAL 103.A O no hydrogen 2.833 N/A GLY 108.A N TYR 105.A O no hydrogen 2.824 N/A PHE 109.A N VAL 104.A O no hydrogen 3.108 N/A VAL 111.A N GLN 115.A OE1 no hydrogen 3.131 N/A ARG 113.A NE ASN 102.A OD1 no hydrogen 2.771 N/A ARG 113.A NH2 ASN 102.A OD1 no hydrogen 2.743 N/A GLN 115.A N SER 112.A OG no hydrogen 2.739 N/A ALA 116.A N SER 112.A O no hydrogen 2.938 N/A ARG 117.A N ARG 113.A O no hydrogen 2.726 N/A GLN 118.A N ARG 114.A O no hydrogen 3.372 N/A LEU 119.A N GLN 115.A O no hydrogen 3.282 N/A VAL 120.A N ARG 117.A O no hydrogen 3.087 N/A ARG 121.A N ARG 117.A O no hydrogen 3.135 N/A ARG 121.A NE ASP 133.A O no hydrogen 3.199 N/A ARG 121.A NH2 ASP 133.A O no hydrogen 3.231 N/A HIS 122.A N GLN 118.A O no hydrogen 2.894 N/A GLY 123.A N VAL 120.A O no hydrogen 3.454 N/A HIS 124.A ND1 SER 151.A OG no hydrogen 2.740 N/A THR 126.A N ALA 146.A O no hydrogen 3.081 N/A VAL 127.A N ARG 130.A O no hydrogen 2.841 N/A ASN 128.A N GLU 144.A O no hydrogen 2.682 N/A GLY 129.A N THR 126.A OG1 no hydrogen 3.173 N/A VAL 132.A N ILE 125.A O no hydrogen 3.355 N/A TYR 137.A N LEU 134.A O no hydrogen 2.827 N/A VAL 139.A N SER 98.A O no hydrogen 2.818 N/A ARG 140.A N ASP 143.A OD2 no hydrogen 3.284 N/A GLY 142.A N PHE 184.A O no hydrogen 2.778 N/A ASP 143.A N ARG 140.A O no hydrogen 3.279 N/A GLU 144.A N ASN 128.A OD1 no hydrogen 3.138 N/A ILE 145.A N GLY 182.A O no hydrogen 2.759 N/A ALA 146.A N THR 126.A O no hydrogen 3.064 N/A VAL 147.A N MET 180.A O no hydrogen 2.954 N/A ALA 148.A N HIS 124.A O no hydrogen 2.930 N/A SER 151.A N ALA 148.A O no hydrogen 2.456 N/A SER 151.A OG HIS 124.A ND1 no hydrogen 2.740 N/A ARG 152.A N GLU 149.A O no hydrogen 3.133 N/A LEU 154.A N SER 151.A O no hydrogen 3.310 N/A ARG 158.A N LEU 154.A O no hydrogen 3.004 N/A GLN 159.A N GLU 155.A O no hydrogen 3.039 N/A ASN 160.A N LEU 156.A O no hydrogen 3.033 N/A ASN 160.A ND2 PHE 109.A O no hydrogen 2.946 N/A ASN 160.A ND2 GLN 115.A OE1 no hydrogen 3.561 N/A LEU 161.A N ILE 157.A O no hydrogen 3.050 N/A GLU 162.A N ARG 158.A O no hydrogen 2.776 N/A ALA 163.A N GLN 159.A O no hydrogen 2.870 N/A LYS 165.A N GLU 162.A O no hydrogen 2.640 N/A ARG 167.A N MET 164.A O no hydrogen 2.766 N/A LEU 173.A N GLY 170.A O no hydrogen 2.751 N/A SER 174.A N LYS 183.A O no hydrogen 3.115 N/A GLY 179.A N ASP 176.A OD1 no hydrogen 2.973 N/A MET 180.A N VAL 177.A O no hydrogen 3.308 N/A LYS 181.A N ASP 176.A O no hydrogen 3.331 N/A GLY 182.A N ILE 145.A O no hydrogen 3.060 N/A LYS 183.A N SER 174.A O no hydrogen 2.855 N/A PHE 184.A N ASP 143.A O no hydrogen 3.083 N/A LEU 185.A N TRP 172.A O no hydrogen 2.828 N/A GLU 191.A N ASP 189.A OD1 no hydrogen 2.956 N/A ASP 192.A N ASP 189.A O no hydrogen 2.796 N/A LEU 193.A N ARG 190.A O no hydrogen 3.051 N/A VAL 197.A N LEU 195.A O no hydrogen 2.629 N/A ASN 198.A N GLU 59.A OE1 no hydrogen 2.586 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.679 N/A GLN 200.A N ASN 198.A OD1 no hydrogen 3.244 N/A LEU 201.A N ASN 198.A O no hydrogen 3.207 N/A VAL 202.A N GLU 199.A O no hydrogen 2.642 N/A ILE 203.A N GLU 199.A O no hydrogen 2.994 N/A GLU 204.A N GLN 200.A O no hydrogen 3.139 N/A PHE 205.A N LEU 201.A O no hydrogen 3.025 N/A TYR 206.A N VAL 202.A O no hydrogen 3.202 N/A TYR 206.A N ILE 203.A O no hydrogen 2.850 N/A TYR 206.A OH GLU 71.A OE2 no hydrogen 3.070 N/A SER 207.A N GLU 204.A O no hydrogen 3.062 N/A SER 207.A OG GLU 204.A O no hydrogen 3.412 N/A