Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a4p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLN 2.A O no hydrogen 3.261 N/A VAL 7.A N VAL 4.A O no hydrogen 3.138 N/A ILE 9.A N ILE 80.A O no hydrogen 2.717 N/A SER 13.A N GLY 10.A O no hydrogen 2.935 N/A LEU 14.A N PRO 11.A O no hydrogen 3.361 N/A ILE 15.A N THR 34.A O no hydrogen 2.997 N/A HIS 17.A N HIS 32.A O no hydrogen 3.245 N/A HIS 17.A NE2 THR 34.A OG1 no hydrogen 2.745 N/A GLU 20.A N HIS 17.A O no hydrogen 3.070 N/A ILE 22.A N VAL 30.A O no hydrogen 2.539 N/A HIS 26.A N ASP 163.A OD2 no hydrogen 3.006 N/A PHE 27.A N ASP 163.A OD1 no hydrogen 2.759 N/A GLY 28.A N GLY 25.A O no hydrogen 3.414 N/A VAL 30.A N GLY 23.A O no hydrogen 3.060 N/A TYR 31.A N VAL 44.A O no hydrogen 2.933 N/A HIS 32.A N GLU 20.A O no hydrogen 3.425 N/A HIS 32.A ND1 HIS 41.A NE2 no hydrogen 2.898 N/A GLY 33.A N CYS 42.A O no hydrogen 2.721 N/A THR 34.A N ILE 15.A O no hydrogen 2.809 N/A THR 34.A OG1 HIS 17.A NE2 no hydrogen 2.745 N/A LEU 35.A N ILE 40.A O no hydrogen 2.807 N/A LEU 36.A N SER 13.A O no hydrogen 3.164 N/A ILE 40.A N LEU 35.A O no hydrogen 2.740 N/A HIS 41.A NE2 HIS 32.A ND1 no hydrogen 2.898 N/A CYS 42.A N GLY 33.A O no hydrogen 3.003 N/A ALA 43.A N LEU 92.A O no hydrogen 2.913 N/A VAL 44.A N TYR 31.A O no hydrogen 2.647 N/A LYS 45.A N VAL 90.A O no hydrogen 2.892 N/A LYS 45.A NZ ASP 163.A OD1 no hydrogen 3.284 N/A LYS 45.A NZ TYR 165.A OH no hydrogen 3.473 N/A SER 46.A N CYS 29.A O no hydrogen 2.966 N/A LEU 47.A N PRO 88.A O no hydrogen 3.463 N/A THR 51.A OG1 ILE 50.A O no hydrogen 2.440 N/A VAL 56.A N ASP 52.A O no hydrogen 3.339 N/A SER 57.A N ILE 53.A O no hydrogen 3.497 N/A GLN 58.A N GLY 54.A O no hydrogen 2.599 N/A PHE 59.A N GLU 55.A O no hydrogen 3.015 N/A THR 61.A N SER 57.A O no hydrogen 3.034 N/A THR 61.A N GLN 58.A O no hydrogen 3.109 N/A GLU 62.A N GLN 58.A O no hydrogen 3.434 N/A GLY 63.A N PHE 59.A O no hydrogen 3.372 N/A ILE 64.A N LEU 60.A O no hydrogen 3.068 N/A ILE 65.A N THR 61.A O no hydrogen 2.988 N/A MET 66.A N GLU 62.A O no hydrogen 2.695 N/A LYS 67.A N GLY 63.A O no hydrogen 3.102 N/A LYS 67.A NZ HIS 6.A O no hydrogen 3.459 N/A LYS 67.A NZ LEU 78.A O no hydrogen 3.157 N/A ASP 68.A N ILE 65.A O no hydrogen 2.723 N/A PHE 69.A N MET 66.A O no hydrogen 3.095 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.829 N/A ASN 73.A ND2 GLN 122.A OE1 no hydrogen 3.103 N/A ASN 73.A ND2 VAL 153.A O no hydrogen 2.823 N/A VAL 74.A N HIS 71.A O no hydrogen 2.927 N/A LEU 75.A N VAL 155.A O no hydrogen 2.824 N/A LEU 78.A N VAL 91.A O no hydrogen 2.904 N/A GLY 79.A N VAL 91.A O no hydrogen 3.239 N/A CYS 81.A N LEU 89.A O no hydrogen 2.862 N/A CYS 81.A SG ILE 9.A O no hydrogen 3.219 N/A SER 87.A N GLU 85.A O no hydrogen 3.099 N/A LEU 89.A N CYS 81.A O no hydrogen 2.955 N/A VAL 90.A N LYS 45.A O no hydrogen 2.924 N/A VAL 91.A N GLY 79.A O no hydrogen 2.828 N/A LEU 92.A N ALA 43.A O no hydrogen 2.829 N/A HIS 97.A N LEU 147.A O no hydrogen 3.048 N/A HIS 97.A ND1 ASP 148.A O no hydrogen 3.099 N/A GLY 98.A N MET 95.A O no hydrogen 2.834 N/A LEU 100.A N CYS 145.A O no hydrogen 2.876 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 3.077 N/A PHE 103.A N ASP 99.A O no hydrogen 3.048 N/A ILE 104.A N LEU 100.A O no hydrogen 3.120 N/A ARG 105.A N ARG 101.A O no hydrogen 3.073 N/A ASN 106.A N ASN 102.A O no hydrogen 3.039 N/A THR 108.A N ASN 106.A OD1 no hydrogen 3.263 N/A THR 108.A OG1 ASN 106.A OD1 no hydrogen 3.493 N/A HIS 109.A N ASN 106.A O no hydrogen 3.314 N/A HIS 109.A ND1 PHE 103.A O no hydrogen 2.794 N/A THR 112.A N ASP 115.A OD1 no hydrogen 2.806 N/A VAL 113.A N HIS 273.A O no hydrogen 2.862 N/A ASP 115.A N THR 112.A OG1 no hydrogen 3.156 N/A LEU 116.A N THR 112.A O no hydrogen 3.181 N/A ILE 117.A N VAL 113.A O no hydrogen 3.020 N/A GLY 118.A N LYS 114.A O no hydrogen 2.928 N/A PHE 119.A N ASP 115.A O no hydrogen 2.813 N/A GLY 120.A N LEU 116.A O no hydrogen 3.052 N/A LEU 121.A N ILE 117.A O no hydrogen 2.691 N/A GLN 122.A N GLY 118.A O no hydrogen 2.917 N/A GLN 122.A NE2 PHE 151.A O no hydrogen 3.205 N/A VAL 123.A N PHE 119.A O no hydrogen 3.071 N/A ALA 124.A N GLY 120.A O no hydrogen 3.075 N/A LYS 125.A N LEU 121.A O no hydrogen 3.018 N/A GLY 126.A N GLN 122.A O no hydrogen 3.174 N/A MET 127.A N VAL 123.A O no hydrogen 2.854 N/A LYS 128.A N ALA 124.A O no hydrogen 3.023 N/A PHE 129.A N LYS 125.A O no hydrogen 3.003 N/A LEU 130.A N GLY 126.A O no hydrogen 2.876 N/A ALA 131.A N MET 127.A O no hydrogen 2.663 N/A SER 132.A N LYS 128.A O no hydrogen 3.052 N/A SER 132.A OG LYS 128.A O no hydrogen 3.525 N/A SER 132.A OG PHE 129.A O no hydrogen 2.778 N/A LYS 133.A N PHE 129.A O no hydrogen 3.272 N/A LYS 134.A N ALA 131.A O no hydrogen 2.818 N/A PHE 135.A N LEU 130.A O no hydrogen 3.067 N/A HIS 137.A N ASP 190.A OD1 no hydrogen 2.906 N/A HIS 137.A NE2 ALA 156.A O no hydrogen 2.565 N/A ARG 138.A N ASP 190.A OD2 no hydrogen 2.843 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.314 N/A ALA 142.A N GLU 200.A OE1 no hydrogen 3.157 N/A ASN 144.A N ALA 141.A O no hydrogen 2.869 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.665 N/A ASN 144.A ND2 ASP 139.A OD1 no hydrogen 3.302 N/A CYS 145.A N ALA 142.A O no hydrogen 2.991 N/A CYS 145.A SG ALA 141.A O no hydrogen 3.785 N/A MET 146.A N LYS 154.A O no hydrogen 2.738 N/A LEU 147.A N GLY 98.A O no hydrogen 3.128 N/A ASP 148.A N THR 152.A O no hydrogen 2.924 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 3.033 N/A LYS 150.A N ASP 148.A OD2 no hydrogen 3.224 N/A PHE 151.A N ASP 148.A O no hydrogen 3.077 N/A THR 152.A N ASP 148.A OD2 no hydrogen 2.855 N/A VAL 153.A N GLN 122.A OE1 no hydrogen 2.733 N/A LYS 154.A N MET 146.A O no hydrogen 2.756 N/A LYS 154.A NZ PRO 72.A O no hydrogen 2.742 N/A VAL 155.A N ASN 73.A O no hydrogen 2.630 N/A ALA 156.A N ASN 144.A O no hydrogen 2.978 N/A ALA 161.A N PHE 158.A O no hydrogen 3.405 N/A ARG 162.A NH1 HIS 137.A O no hydrogen 2.680 N/A ASP 163.A N ASP 157.A OD1 no hydrogen 3.004 N/A MET 164.A N ASP 163.A OD2 no hydrogen 2.492 N/A TYR 165.A OH ALA 161.A O no hydrogen 2.657 N/A LYS 173.A NZ TYR 209.A O no hydrogen 2.765 N/A LYS 173.A NZ VAL 212.A O no hydrogen 2.593 N/A TRP 174.A N PRO 171.A O no hydrogen 3.091 N/A TRP 174.A NE1 GLU 200.A OE1 no hydrogen 2.944 N/A MET 175.A N VAL 172.A O no hydrogen 3.210 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.665 N/A SER 179.A OG LYS 184.A O no hydrogen 3.103 N/A LEU 180.A N ALA 176.A O no hydrogen 3.067 N/A GLN 181.A N LEU 177.A O no hydrogen 3.087 N/A GLN 181.A NE2 LEU 177.A O no hydrogen 3.440 N/A THR 182.A N GLU 178.A O no hydrogen 2.896 N/A THR 182.A OG1 GLU 178.A O no hydrogen 2.914 N/A GLN 183.A N SER 179.A O no hydrogen 2.698 N/A LYS 184.A N THR 182.A OG1 no hydrogen 3.198 N/A THR 186.A N SER 189.A OG no hydrogen 2.811 N/A LYS 188.A N THR 186.A OG1 no hydrogen 2.858 N/A LYS 188.A NZ ARG 252.A O no hydrogen 2.509 N/A SER 189.A N THR 186.A O no hydrogen 2.778 N/A SER 189.A N THR 186.A OG1 no hydrogen 3.367 N/A SER 189.A OG THR 186.A O no hydrogen 2.896 N/A ASP 190.A N THR 186.A O no hydrogen 3.029 N/A VAL 191.A N THR 187.A O no hydrogen 2.968 N/A TRP 192.A N LYS 188.A O no hydrogen 3.401 N/A SER 193.A N SER 189.A O no hydrogen 3.199 N/A SER 193.A OG TRP 174.A O no hydrogen 2.701 N/A SER 193.A OG SER 189.A O no hydrogen 3.445 N/A PHE 194.A N ASP 190.A O no hydrogen 2.790 N/A GLY 195.A N VAL 191.A O no hydrogen 2.925 N/A VAL 196.A N TRP 192.A O no hydrogen 3.141 N/A LEU 197.A N SER 193.A O no hydrogen 2.796 N/A LEU 198.A N PHE 194.A O no hydrogen 2.900 N/A TRP 199.A N GLY 195.A O no hydrogen 3.093 N/A TRP 199.A NE1 LEU 228.A O no hydrogen 2.879 N/A GLU 200.A N VAL 196.A O no hydrogen 3.047 N/A LEU 201.A N LEU 197.A O no hydrogen 2.984 N/A MET 202.A N LEU 198.A O no hydrogen 2.955 N/A THR 203.A N TRP 199.A O no hydrogen 2.861 N/A THR 203.A OG1 TRP 199.A O no hydrogen 3.295 N/A THR 203.A OG1 GLU 200.A O no hydrogen 3.301 N/A ARG 204.A N LEU 201.A O no hydrogen 2.914 N/A ARG 204.A NE ILE 104.A O no hydrogen 2.822 N/A ARG 204.A NH1 HIS 109.A O no hydrogen 3.435 N/A ARG 204.A NH1 VAL 275.A O no hydrogen 2.965 N/A ARG 204.A NH2 ILE 104.A O no hydrogen 3.065 N/A ARG 204.A NH2 HIS 109.A O no hydrogen 2.988 N/A GLY 205.A N GLU 200.A O no hydrogen 2.600 N/A ALA 206.A N THR 203.A OG1 no hydrogen 2.907 N/A VAL 212.A N TYR 209.A O no hydrogen 3.025 N/A ASP 216.A N ASN 213.A O no hydrogen 2.788 N/A TYR 220.A N ASP 216.A O no hydrogen 3.011 N/A LEU 221.A N ILE 217.A O no hydrogen 2.900 N/A LEU 222.A N THR 218.A O no hydrogen 2.881 N/A GLN 223.A N TYR 220.A O no hydrogen 3.180 N/A GLY 224.A N LEU 221.A O no hydrogen 3.438 N/A ARG 225.A NE GLN 223.A OE1 no hydrogen 2.959 N/A ARG 226.A NE TRP 245.A O no hydrogen 3.209 N/A ARG 226.A NH1 LEU 221.A O no hydrogen 3.351 N/A ARG 226.A NH1 ARG 225.A O no hydrogen 2.825 N/A ARG 226.A NH2 TRP 245.A O no hydrogen 2.945 N/A GLN 229.A NE2 CYS 233.A O no hydrogen 2.581 N/A GLN 229.A NE2 ASP 235.A OD1 no hydrogen 3.099 N/A CYS 233.A N PRO 230.A O no hydrogen 2.860 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.430 N/A TYR 238.A N PRO 234.A O no hydrogen 2.962 N/A TYR 238.A OH LEU 227.A O no hydrogen 2.506 N/A GLU 239.A N ASP 235.A O no hydrogen 2.889 N/A VAL 240.A N PRO 236.A O no hydrogen 3.175 N/A MET 241.A N LEU 237.A O no hydrogen 2.991 N/A LEU 242.A N TYR 238.A O no hydrogen 2.921 N/A LYS 243.A N GLU 239.A O no hydrogen 2.969 N/A CYS 244.A N VAL 240.A O no hydrogen 2.910 N/A CYS 244.A SG VAL 240.A O no hydrogen 3.297 N/A TRP 245.A N MET 241.A O no hydrogen 3.104 N/A TRP 245.A N LEU 242.A O no hydrogen 3.066 N/A HIS 246.A N LYS 243.A O no hydrogen 2.952 N/A LYS 248.A N HIS 246.A ND1 no hydrogen 3.142 N/A GLU 250.A N GLU 250.A OE2 no hydrogen 2.842 N/A MET 251.A N LYS 248.A O no hydrogen 3.065 N/A ARG 252.A N ALA 249.A O no hydrogen 3.235 N/A ARG 252.A NE HIS 246.A O no hydrogen 2.908 N/A ARG 252.A NH1 GLU 178.A OE1 no hydrogen 2.867 N/A ARG 252.A NH1 LYS 188.A O no hydrogen 2.739 N/A ARG 252.A NH2 GLU 178.A OE2 no hydrogen 3.011 N/A ARG 252.A NH2 HIS 246.A O no hydrogen 2.950 N/A GLU 257.A N SER 254.A OG no hydrogen 3.159 N/A LEU 258.A N SER 254.A O no hydrogen 2.829 N/A VAL 259.A N PHE 255.A O no hydrogen 2.851 N/A SER 260.A N SER 256.A O no hydrogen 3.080 N/A ARG 261.A N GLU 257.A O no hydrogen 2.883 N/A ARG 261.A NE GLU 257.A OE2 no hydrogen 2.840 N/A ARG 261.A NH2 GLU 257.A OE2 no hydrogen 3.122 N/A ILE 262.A N LEU 258.A O no hydrogen 2.856 N/A SER 263.A N VAL 259.A O no hydrogen 3.007 N/A SER 263.A OG VAL 259.A O no hydrogen 2.832 N/A ALA 264.A N SER 260.A O no hydrogen 3.328 N/A ILE 265.A N ARG 261.A O no hydrogen 3.365 N/A PHE 266.A N ILE 262.A O no hydrogen 2.724 N/A SER 267.A N SER 263.A O no hydrogen 2.851 N/A SER 267.A OG ALA 264.A O no hydrogen 2.708 N/A THR 268.A N ILE 265.A O no hydrogen 3.133 N/A THR 268.A OG1 ILE 265.A O no hydrogen 2.860 N/A PHE 269.A N PHE 266.A O no hydrogen 3.157 N/A VAL 275.A N PRO 111.A O no hydrogen 2.931 N/A VAL 282.A N ASN 278.A O no hydrogen 3.303 N/A