Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.I1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 171.80(D) CA :: 58.80(D) CB :: 39.90(D) CG1 :: 25.00(D) CG2 :: 15.70(D) CD1 :: 12.90(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) N Shift Assignments>> N :: 125.00(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> H 1 C Shift Assignments>> C :: 171.50(D) CA :: 51.30(D) CB :: 31.80(D) CG :: 135.00(D) CD2 :: 121.90(D) CE1 :: 143.90(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) N Shift Assignments>> N :: 130.60(D) ND1 :: 210.50(D) NE2 :: 208.00(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> V 0.94 I 0.05 C Shift Assignments>> C :: 170.50(D) CA :: 58.50(D) CB :: 31.40(D) CG1 :: 18.60(D) CG2 :: 18.60(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) N Shift Assignments>> N :: 128.30(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> H 1 C Shift Assignments>> C :: 171.90(D) CA :: 50.50(D) CB :: 31.50(D) CG :: 135.70(D) CD2 :: 120.30(D) CE1 :: 144.50(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) N Shift Assignments>> N :: 129.30(D) ND1 :: 210.00(D) NE2 :: 207.00(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> C :: 172.80(D) CA :: 51.20(D) CB :: 43.50(D) CG :: 25.60(D) CD1 :: 24.50(D) CD2 :: 23.70(D) 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) N Shift Assignments>> N :: 123.90(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 174.50(D) CA :: 57.60(D) CB :: 36.90(D) CG1 :: 25.30(D) CG2 :: 16.10(D) CD1 :: 11.70 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 1 #Clerical: 6 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 6 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 7 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 34 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 9 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I1 C = 171.80(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4912e-02 1.I1 CA = 58.80(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9440e-01 1.I1 CB = 39.90(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.2954e-01 1.I1 CG1 = 25.00(D), Expected = 27.71, Std = 1.6800, ChiSquare = 1.0672e-01 1.I1 CG2 = 15.70(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.7844e-01 1.I1 CD1 = 12.90(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.5097e-01 1.I1 N = 125.00(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0818e-01 1.H2 C = 171.50(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.6968e-02 1.H2 CA = 51.30(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.3837e-02 1.H2 CB = 31.80(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.5108e-01 1.H2 CG = 135.00(D), Expected = 131.52, Std = 3.2700, ChiSquare = 2.8723e-01 1.H2 CD2 = 121.90(D), Expected = 120.49, Std = 3.4200, ChiSquare = 6.8013e-01 1.H2 CE1 = 143.90(D), Expected = 137.71, Std = 2.1200, ChiSquare = 3.5024e-03 1.H2 N = 130.60(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.3816e-03 1.H2 ND1 = 210.50(D), Expected = 195.02, Std = 18.5100, ChiSquare = 4.0298e-01 1.H2 NE2 = 208.00(D), Expected = 182.41, Std = 14.4000, ChiSquare = 7.5555e-02 1.V3 C = 170.50(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0444e-03 1.V3 CA = 58.50(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6298e-01 1.V3 CB = 31.40(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.5747e-01 1.V3 CG1 = 18.60(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.3587e-02 1.V3 CG2 = 18.60(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.8171e-02 1.V3 N = 128.30(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1477e-01 1.H4 C = 171.90(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.9036e-02 1.H4 CA = 50.50(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.1590e-03 1.H4 CB = 31.50(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.4273e-01 1.H4 CG = 135.70(D), Expected = 131.52, Std = 3.2700, ChiSquare = 2.0115e-01 1.H4 CD2 = 120.30(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.5570e-01 1.H4 CE1 = 144.50(D), Expected = 137.71, Std = 2.1200, ChiSquare = 1.3608e-03 1.H4 N = 129.30(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.6283e-02 1.H4 ND1 = 210.00(D), Expected = 195.02, Std = 18.5100, ChiSquare = 4.1835e-01 1.H4 NE2 = 207.00(D), Expected = 182.41, Std = 14.4000, ChiSquare = 8.7703e-02 1.L5 C = 172.80(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4331e-02 1.L5 CA = 51.20(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7976e-02 1.L5 CB = 43.50(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.2675e-01 1.L5 CG = 25.60(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.8339e-01 1.L5 CD1 = 24.50(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8995e-01 1.L5 CD2 = 23.70(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.3688e-01 1.L5 N = 123.90(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0092e-01 1.I7 C = 174.50(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8198e-01 1.I7 CA = 57.60(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3458e-01 1.I7 CB = 36.90(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.9176e-01 1.I7 CG1 = 25.30(D), Expected = 27.71, Std = 1.6800, ChiSquare = 1.5142e-01 1.I7 CG2 = 16.10(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.9304e-01