Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall Status: Residue type G not supported. 1.G2 Overall Status: Residue type G not supported. 1.G3 Overall Status: Residue type G not supported. 1.A4 Overall Status: Residue type A not supported. 1.U5 Overall Status: Residue type U not supported. 1.C6 Overall Status: Residue type C not supported. 1.U7 Overall Status: Residue type U not supported. 1.G8 Overall Status: Residue type G not supported. 1.U9 Overall Status: Residue type U not supported. 1.C10 Overall Status: Residue type C not supported. 1.A11 Overall Status: Residue type A not supported. 1.C12 Overall Status: Residue type C not supported. 1.C13 Overall Status: Residue type C not supported. 1.C14 Overall Status: Residue type C not supported. 1.C15 Overall Status: Residue type C not supported. 1.A16 Overall Status: Residue type A not supported. 1.U17 Overall Status: Residue type U not supported. 1.U18 Overall Status: Residue type U not supported. 1.G19 Overall Status: Residue type G not supported. 1.A20 Overall Status: Residue type A not supported. 1.U21 Overall Status: Residue type U not supported. 1.C22 Overall Status: Residue type C not supported. 1.G23 Overall Status: Residue type G not supported. 1.C24 Overall Status: Residue type C not supported. 1.C25 Overall Status: Residue type C not supported. 1.A26 Overall Status: Residue type A not supported. 1.G27 Overall Status: Residue type G not supported. 1.U28 Overall Status: Residue type U not supported. 1.G29 Overall Status: Residue type G not supported. 1.G30 Overall Status: Residue type G not supported. 1.C31 Overall Status: Residue type C not supported. 1.U32 Overall Status: Residue type U not supported. 1.G33 Overall Status: Residue type G not supported. 1.A34 Overall Status: Residue type A not supported. 1.U35 Overall Status: Residue type U not supported. 1.C36 Overall Status: Residue type C not supported. 1.U37 Overall Status: Residue type U not supported. 1.G38 Overall Status: Residue type G not supported. 1.G39 Overall Status: Residue type G not supported. 1.C40 Overall Status: Residue type C not supported. 1.U41 Overall Status: Residue type U not supported. 1.G42 Overall Status: Residue type G not supported. 1.G43 Overall Status: Residue type G not supported. 1.C44 Overall Status: Residue type C not supported. 1.U45 Overall Status: Residue type U not supported. 1.A46 Overall Status: Residue type A not supported. 1.G47 Overall Status: Residue type G not supported. 1.G48 Overall Status: Residue type G not supported. 1.C49 Overall Status: Residue type C not supported. 1.G50 Overall Status: Residue type G not supported. 1.G51 Overall Status: Residue type G not supported. 1.G52 Overall Status: Residue type G not supported. 1.U53 Overall Status: Residue type U not supported. 1.C54 Overall Status: Residue type C not supported. 1.C55 Overall Status: Residue type C not supported. 1.C56 Overall Status: Residue type C not supported. 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB :: 1.6243 HG12 :: 1.2715 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 2.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.3740 HB2 :: 3.7469 HG :: 5.3753 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.Y4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.3706 HB2 :: 2.9477 HD1 :: 6.9476 HD2 :: 6.9192 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 2.G5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 K 0.25 HN Overlap>> 2.R14 2.R14 C Shift Assignments>> CA :: 56.6704 CB :: 30.5511 CG :: 26.3316 CD :: 41.8875 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0982 HA :: 4.1830 HB2 :: 1.7085 HG2 :: 1.5276 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 108.9057 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.28 K 0.25 R 0.06 H 0.05 Y 0.01 C Shift Assignments>> CA :: 56.6296 CG :: 34.0747 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3138 HA :: 4.0997 HB2 :: 2.0037 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.7019 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 H 0.15 Q 0.15 R 0.14 K 0.12 C 0.09 Y 0.07 S 0.03 A 0.03 HN Overlap>> 2.K10 2.K10 2.K12 2.K12 C Shift Assignments>> CA :: 55.8776 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2850 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 111.3075 Ave N Shift Values>> N :: 121.86(3.9) 2.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.31 R 0.25 C 0.04 Y 0.02 C Shift Assignments>> CA :: 44.1437 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4554 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5700 Ave N Shift Values>> N :: 109.67(3.87) 2.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.3 HN Overlap>> 2.L8 2.K12 2.L8 2.K12 C Shift Assignments>> CA :: 56.6755 CB :: 33.3397 CG :: 23.6214 CD :: 28.4777 CE :: 40.3287 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2406 HA :: 4.1583 HB2 :: 1.6424 HG2 :: 1.2744 HD2 :: 1.5902 HE2 :: 2.8346 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.2153 NZ :: 38.8934 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.29 C Shift Assignments>> CA :: 56.4854 CB :: 33.3167 CG :: 23.4626 CD :: 28.5250 CE :: 40.3530 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2307 HA :: 4.2099 HB2 :: 1.6396 HG2 :: 1.2773 HD2 :: 1.5841 HE2 :: 2.8652 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.5670 NZ :: 42.6765 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.43 Q 0.01 HN Overlap>> 2.K10 2.L8 2.K10 2.L8 C Shift Assignments>> CA :: 56.6704 CB :: 33.3309 CG :: 23.6244 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3131 HA :: 4.1294 HB2 :: 1.6578 HD2 :: 1.5838 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.2153 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.4570 HB2 :: 3.0354 HD2 :: 7.1462 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 2.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 K 0.26 HN Overlap>> 2.R6 2.R6 C Shift Assignments>> CA :: 56.6755 CB :: 30.5419 CG :: 26.3204 CD :: 41.8745 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0837 HA :: 4.1016 HB2 :: 1.7127 HG2 :: 1.5319 HD2 :: 3.0831 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 108.9213 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.31 K 0.25 C Shift Assignments>> CA :: 56.5532 CB :: 30.5012 CG :: 26.3593 CD :: 41.8577 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2904 HA :: 4.1651 HB2 :: 1.6773 HG2 :: 1.5595 HD2 :: 3.1095 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 109.5670 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.24 C 0.2 Q 0.18 K 0.1 I 0.01 C Shift Assignments>> CA :: 56.6773 CB :: 30.5373 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3534 HA :: 4.0726 HB2 :: 1.6735 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 111.4645 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.1251 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.H18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.5428 HB2 :: 3.1286 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 2.Q19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.2007 HB2 :: 2.0306 HG2 :: 2.2482 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) ########################################################################### Overall Results: #Consistent: 19 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 10 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 19 #Suspicious: 0 C Shift Results: #Consistent: 31 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 56 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 12 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0