Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N MET 1.A O no hydrogen 2.915 N/A LYS 5.A N MET 1.A O no hydrogen 3.130 N/A GLN 6.A N ASP 2.A O no hydrogen 2.807 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 3.417 N/A GLN 6.A NE2 ASN 10.A OD1 no hydrogen 2.823 N/A LEU 7.A N LYS 3.A O no hydrogen 3.332 N/A PHE 8.A N ILE 4.A O no hydrogen 3.166 N/A ALA 9.A N LYS 5.A O no hydrogen 3.046 N/A ASN 10.A N GLN 6.A O no hydrogen 2.912 N/A ASN 11.A N LEU 7.A O no hydrogen 2.943 N/A TYR 12.A N PHE 8.A O no hydrogen 2.970 N/A SER 13.A N ALA 9.A O no hydrogen 2.907 N/A TRP 14.A N ASN 10.A O no hydrogen 2.780 N/A ALA 15.A N ASN 11.A O no hydrogen 2.987 N/A GLN 16.A N TYR 12.A O no hydrogen 3.047 N/A ARG 17.A N SER 13.A O no hydrogen 2.937 N/A MET 18.A N TRP 14.A O no hydrogen 2.888 N/A LYS 19.A N ALA 15.A O no hydrogen 3.146 N/A GLU 20.A N GLN 16.A O no hydrogen 3.005 N/A GLU 21.A N ARG 17.A O no hydrogen 2.979 N/A HIS 24.A N GLU 47.A O no hydrogen 2.832 N/A HIS 24.A ND1 GLU 47.A OE2 no hydrogen 2.642 N/A TYR 25.A N GLU 47.A O no hydrogen 3.305 N/A LEU 26.A N HIS 80.A O no hydrogen 2.964 N/A TRP 27.A N PHE 49.A O no hydrogen 2.787 N/A ILE 28.A N ILE 82.A O no hydrogen 2.757 N/A ALA 29.A N HIS 51.A O no hydrogen 2.902 N/A CYS 30.A SG ASP 32.A OD2 no hydrogen 3.382 N/A CYS 30.A SG ASN 53.A O no hydrogen 3.786 N/A CYS 30.A SG HIS 86.A NE2 no hydrogen 3.756 N/A SER 31.A N ASN 53.A O no hydrogen 2.855 N/A SER 33.A N CYS 30.A O no hydrogen 3.219 N/A SER 33.A OG CYS 30.A O no hydrogen 2.812 N/A ARG 34.A NE ASP 32.A O no hydrogen 3.170 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.664 N/A LYS 39.A N PRO 36.A O no hydrogen 3.084 N/A LEU 40.A N PRO 36.A O no hydrogen 3.025 N/A THR 41.A N ALA 37.A O no hydrogen 2.767 N/A THR 41.A OG1 ALA 37.A O no hydrogen 2.412 N/A THR 41.A OG1 GLU 38.A O no hydrogen 3.549 N/A ASN 42.A N LYS 39.A O no hydrogen 3.003 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.817 N/A GLU 47.A N GLU 44.A O no hydrogen 2.994 N/A PHE 49.A N TYR 25.A O no hydrogen 2.810 N/A HIS 51.A N TRP 27.A O no hydrogen 2.838 N/A ARG 52.A NE CYS 30.A O no hydrogen 3.116 N/A ARG 52.A NH2 CYS 30.A O no hydrogen 3.369 N/A ASN 53.A N ALA 29.A O no hydrogen 3.114 N/A ASN 53.A ND2 HIS 51.A NE2 no hydrogen 2.998 N/A ASN 53.A ND2 GLN 57.A O no hydrogen 2.885 N/A ASN 56.A N ASN 53.A O no hydrogen 3.320 N/A ASN 56.A ND2 ASN 56.A O no hydrogen 3.023 N/A GLN 57.A N ASN 53.A OD1 no hydrogen 2.934 N/A GLN 57.A NE2 TRP 107.A O no hydrogen 3.056 N/A VAL 58.A N GLN 142.A OE1 no hydrogen 2.794 N/A ASP 62.A N ILE 59.A O no hydrogen 3.076 N/A ASN 64.A N ASP 62.A OD1 no hydrogen 3.126 N/A CYS 65.A N ASP 62.A OD2 no hydrogen 3.188 N/A CYS 65.A SG GLN 57.A O no hydrogen 3.904 N/A LEU 66.A N ASP 62.A O no hydrogen 3.047 N/A SER 67.A N PHE 63.A O no hydrogen 2.969 N/A SER 67.A OG PHE 63.A O no hydrogen 2.673 N/A VAL 68.A N ASN 64.A O no hydrogen 3.154 N/A VAL 69.A N CYS 65.A O no hydrogen 3.016 N/A GLN 70.A N LEU 66.A O no hydrogen 2.816 N/A GLN 70.A NE2 ASP 74.A OD2 no hydrogen 3.225 N/A TYR 71.A N SER 67.A O no hydrogen 2.901 N/A ALA 72.A N VAL 68.A O no hydrogen 2.812 N/A VAL 73.A N VAL 69.A O no hydrogen 2.928 N/A ASP 74.A N GLN 70.A O no hydrogen 2.766 N/A VAL 75.A N TYR 71.A O no hydrogen 2.981 N/A LEU 76.A N TYR 71.A O no hydrogen 2.914 N/A LYS 77.A NZ ASP 74.A O no hydrogen 2.307 N/A ILE 78.A N ALA 72.A O no hydrogen 2.864 N/A HIS 80.A ND1 SER 163.A OG no hydrogen 2.636 N/A ILE 81.A N SER 163.A O no hydrogen 2.869 N/A ILE 82.A N LEU 26.A O no hydrogen 2.717 N/A ILE 83.A N HIS 165.A O no hydrogen 2.886 N/A CYS 84.A N ILE 28.A O no hydrogen 2.804 N/A CYS 84.A SG GLY 85.A O no hydrogen 3.430 N/A CYS 84.A SG TRP 167.A O no hydrogen 3.995 N/A GLY 85.A N TRP 167.A O no hydrogen 2.969 N/A THR 87.A N TYR 169.A O no hydrogen 3.363 N/A CYS 89.A SG ASP 32.A OD2 no hydrogen 3.733 N/A CYS 89.A SG HIS 86.A NE2 no hydrogen 3.607 N/A GLY 91.A N ASP 32.A OD1 no hydrogen 2.944 N/A HIS 93.A N CYS 89.A O no hydrogen 2.961 N/A ALA 94.A N GLY 90.A O no hydrogen 2.729 N/A ALA 95.A N GLY 91.A O no hydrogen 2.868 N/A MET 96.A N ILE 92.A O no hydrogen 2.994 N/A ALA 97.A N HIS 93.A O no hydrogen 2.961 N/A ALA 97.A N ALA 94.A O no hydrogen 3.182 N/A GLY 102.A N ASP 100.A OD1 no hydrogen 3.354 N/A ASN 105.A N GLY 102.A O no hydrogen 3.050 N/A ASN 105.A ND2 LYS 99.A O no hydrogen 2.757 N/A ASN 106.A N LEU 103.A O no hydrogen 2.936 N/A ASN 106.A ND2 LEU 103.A O no hydrogen 3.086 N/A TRP 107.A NE1 VAL 54.A O no hydrogen 2.756 N/A LEU 108.A N ILE 104.A O no hydrogen 2.956 N/A LEU 109.A N ASN 106.A O no hydrogen 3.335 N/A ARG 112.A N LEU 108.A O no hydrogen 3.065 N/A ARG 112.A NH1 ALA 95.A O no hydrogen 2.948 N/A ASP 113.A N LEU 109.A O no hydrogen 2.869 N/A ILE 114.A N HIS 110.A O no hydrogen 3.224 N/A TRP 115.A N ILE 111.A O no hydrogen 2.910 N/A PHE 116.A N ARG 112.A O no hydrogen 2.902 N/A LYS 117.A N ASP 113.A O no hydrogen 2.933 N/A LYS 117.A NZ GLU 141.A OE1 no hydrogen 3.086 N/A HIS 118.A N ILE 114.A O no hydrogen 3.036 N/A HIS 118.A NE2 GLU 141.A OE2 no hydrogen 2.565 N/A GLY 119.A N PHE 116.A O no hydrogen 3.000 N/A LEU 122.A N HIS 118.A O no hydrogen 2.999 N/A GLY 123.A N GLY 119.A O no hydrogen 2.974 N/A LYS 124.A N HIS 120.A O no hydrogen 3.289 N/A LYS 124.A N LEU 121.A O no hydrogen 3.146 N/A LEU 125.A N LEU 122.A O no hydrogen 3.148 N/A SER 126.A OG GLU 128.A OE1 no hydrogen 2.667 N/A SER 126.A OG GLU 128.A OE2 no hydrogen 3.256 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.691 N/A LYS 129.A N SER 126.A O no hydrogen 2.938 N/A ARG 130.A N PRO 127.A O no hydrogen 3.253 N/A ARG 130.A NE LEU 125.A O no hydrogen 2.750 N/A ARG 130.A NH2 LEU 125.A O no hydrogen 3.032 N/A MET 133.A N LYS 129.A O no hydrogen 3.092 N/A LEU 134.A N ARG 130.A O no hydrogen 2.783 N/A THR 135.A N ALA 131.A O no hydrogen 3.082 N/A THR 135.A OG1 ALA 131.A O no hydrogen 2.657 N/A LYS 136.A N ASP 132.A O no hydrogen 3.411 N/A ILE 137.A N MET 133.A O no hydrogen 2.798 N/A ASN 138.A N LEU 134.A O no hydrogen 2.720 N/A ASN 138.A ND2 ALA 55.A O no hydrogen 2.903 N/A VAL 139.A N THR 135.A O no hydrogen 3.375 N/A ALA 140.A N LYS 136.A O no hydrogen 3.328 N/A GLU 141.A N ILE 137.A O no hydrogen 2.962 N/A GLN 142.A N ASN 138.A O no hydrogen 2.874 N/A GLN 142.A NE2 ASN 138.A OD1 no hydrogen 2.690 N/A VAL 143.A N VAL 139.A O no hydrogen 3.025 N/A TYR 144.A N ALA 140.A O no hydrogen 3.015 N/A TYR 144.A OH GLU 190.A OE1 no hydrogen 2.668 N/A TYR 144.A OH GLU 190.A OE2 no hydrogen 2.876 N/A ASN 145.A N GLU 141.A O no hydrogen 2.883 N/A ASN 145.A ND2 VAL 58.A O no hydrogen 3.086 N/A ASN 145.A ND2 GLN 142.A OE1 no hydrogen 3.271 N/A LEU 146.A N GLN 142.A O no hydrogen 2.883 N/A GLY 147.A N VAL 143.A O no hydrogen 2.879 N/A ARG 148.A N ASN 145.A O no hydrogen 3.042 N/A ARG 148.A NH1 ASN 145.A OD1 no hydrogen 3.385 N/A THR 149.A N LEU 146.A O no hydrogen 3.215 N/A THR 149.A OG1 LEU 146.A O no hydrogen 2.776 N/A VAL 152.A N THR 149.A OG1 no hydrogen 3.139 N/A LYS 153.A N THR 149.A O no hydrogen 3.069 N/A SER 154.A N SER 150.A O no hydrogen 2.984 N/A SER 154.A OG SER 150.A O no hydrogen 3.003 N/A ALA 155.A N ILE 151.A O no hydrogen 2.995 N/A TRP 156.A N VAL 152.A O no hydrogen 2.950 N/A TRP 156.A NE1 LEU 162.A O no hydrogen 2.919 N/A GLU 157.A N LYS 153.A O no hydrogen 2.879 N/A ARG 158.A N SER 154.A O no hydrogen 3.044 N/A ARG 158.A NH2 ASP 74.A OD1 no hydrogen 2.771 N/A ARG 158.A NH2 GLN 160.A OE1 no hydrogen 2.811 N/A GLY 159.A N TRP 156.A O no hydrogen 2.970 N/A GLN 160.A N ALA 155.A O no hydrogen 2.955 N/A GLN 160.A NE2 VAL 73.A O no hydrogen 2.751 N/A LYS 161.A NZ GLU 79.A OE2 no hydrogen 2.810 N/A SER 163.A N GLU 79.A O no hydrogen 2.790 N/A SER 163.A OG GLU 79.A O no hydrogen 3.228 N/A SER 163.A OG HIS 80.A ND1 no hydrogen 2.636 N/A SER 163.A OG HIS 165.A NE2 no hydrogen 2.738 N/A LEU 164.A N ALA 183.A O no hydrogen 2.829 N/A HIS 165.A N ILE 81.A O no hydrogen 2.846 N/A HIS 165.A NE2 SER 163.A OG no hydrogen 2.738 N/A TRP 167.A N ILE 83.A O no hydrogen 2.931 N/A VAL 168.A N VAL 177.A O no hydrogen 2.784 N/A TYR 169.A N GLY 85.A O no hydrogen 2.842 N/A ASP 170.A N PHE 175.A O no hydrogen 3.074 N/A ASN 172.A N ASP 170.A OD1 no hydrogen 3.040 N/A ASP 173.A N ASP 170.A O no hydrogen 3.339 N/A GLY 174.A N ASP 170.A O no hydrogen 2.729 N/A PHE 175.A N ASP 173.A OD1 no hydrogen 3.021 N/A VAL 177.A N VAL 168.A O no hydrogen 2.711 N/A GLN 179.A N GLY 166.A O no hydrogen 2.989 N/A GLN 179.A NE2 VAL 177.A O no hydrogen 2.943 N/A GLY 180.A N ASP 178.A OD1 no hydrogen 2.813 N/A MET 182.A N SER 192.A OG no hydrogen 3.055 N/A ALA 183.A N LEU 164.A O no hydrogen 3.099 N/A THR 184.A N THR 188.A OG1 no hydrogen 2.885 N/A THR 184.A OG1 THR 188.A OG1 no hydrogen 3.357 N/A SER 185.A OG THR 188.A OG1 no hydrogen 2.699 N/A ARG 186.A NH1 ARG 186.A O no hydrogen 3.425 N/A ARG 186.A NH1 GLU 190.A OE2 no hydrogen 2.652 N/A ARG 186.A NH2 GLU 190.A OE2 no hydrogen 2.819 N/A THR 188.A N SER 185.A OG no hydrogen 3.062 N/A THR 188.A OG1 THR 184.A OG1 no hydrogen 3.357 N/A THR 188.A OG1 SER 185.A O no hydrogen 2.985 N/A THR 188.A OG1 SER 185.A OG no hydrogen 2.699 N/A LEU 189.A N SER 185.A O no hydrogen 2.962 N/A GLU 190.A N ARG 186.A O no hydrogen 3.026 N/A ILE 191.A N GLU 187.A O no hydrogen 3.154 N/A SER 192.A N THR 188.A O no hydrogen 2.846 N/A SER 192.A OG MET 182.A O no hydrogen 3.146 N/A SER 192.A OG THR 188.A O no hydrogen 3.049 N/A TYR 193.A N LEU 189.A O no hydrogen 2.906 N/A TYR 193.A OH GLU 141.A OE1 no hydrogen 3.293 N/A TYR 193.A OH GLU 141.A OE2 no hydrogen 2.342 N/A ARG 194.A N GLU 190.A O no hydrogen 3.050 N/A ASN 195.A N ILE 191.A O no hydrogen 2.816 N/A ALA 196.A N SER 192.A O no hydrogen 2.730 N/A ILE 197.A N TYR 193.A O no hydrogen 2.937 N/A ALA 198.A N ARG 194.A O no hydrogen 3.061 N/A ARG 199.A N ASN 195.A O no hydrogen 2.975 N/A ARG 199.A NH1 ARG 199.A O no hydrogen 2.944 N/A LEU 200.A N ALA 196.A O no hydrogen 2.863 N/A SER 201.A N ILE 197.A O no hydrogen 2.908 N/A SER 201.A OG ILE 197.A O no hydrogen 2.812 N/A ILE 202.A N ARG 199.A O no hydrogen 3.255 N/A GLU 206.A N ASP 204.A O no hydrogen 2.195 N/A ILE 208.A N LYS 124.A O no hydrogen 2.541 N/A