compares Mol* port of DSSP (with default parameters) to the BioJava implementation ### pdb:1pga ### # turns # Mol*: ----------------------TTTTTTTTTTTTTTTT--------TTTT------ 53 turns, 18 openings DSSP: ----------------------TTTTTTTTTTTTTTTT--------TTTT------ 53 turns, 18 openings # bends # Mol*: ---------SS---------SSSSSSSSSSSSSSSSSS--------SSS------- 23 bends DSSP: ---------SS---------SSSSSSSSSSSSSSSSSS--------SSS------- 23 bends # helices # Mol*: ----------------------HHHHHHHHHHHHHHTT--------TTTT------ 44 helix elements - 0 3-10, 44 alpha, 0 pi DSSP: ----------------------HHHHHHHHHHHHHHTT--------TTTT------ 44 helix elements - 0 3-10, 44 alpha, 0 pi # all # Mol*: -EEEEEEE-SS-EEEEEEE-SSHHHHHHHHHHHHHHTT---EEEEETTTTEEEEE- DSSP: -EEEEEEE-SS-EEEEEEE-SSHHHHHHHHHHHHHHTT---EEEEETTTTEEEEE- ### pdb:1bta ### # turns # Mol*: ------TTT---TTTTTTTTTTTTT--TT----TTTTTTTTTTT-----------TTTTTTTTT--TTTTTTTTTTTTTTT-------- 127 turns, 44 openings DSSP: ------TTT---TTTTTTTTTTTTT--TT----TTTTTTTTTTT-----------TTTTTTTTT--TTTTTTTTTTTTTTT-------- 127 turns, 44 openings # bends # Mol*: ------SSS--SSSSSSSSSSSSS---SS---SSSSSSSSSSSSS-SS------SSSSSSSSSSSSSSSSSSSSSSSSSSS-------- 60 bends DSSP: ------SSS--SSSSSSSSSSSSS---SS---SSSSSSSSSSSSS-SS------SSSSSSSSSSSSSSSSSSSSSSSSSSS-------- 60 bends # helices # Mol*: ------TTT---HHHHHHHHHHHHT--TT----HHHHHHHHTTT-----------TTHHHHTTT--HHHHHHHHHHHHHTT-------- 100 helix elements - 0 3-10, 100 alpha, 0 pi DSSP: ------TTT---HHHHHHHHHHHHT--TT----HHHHHHHHTTT-----------TTHHHHTTT--HHHHHHHHHHHHHTT-------- 100 helix elements - 0 3-10, 100 alpha, 0 pi # all # Mol*: -EEEEETTT--SHHHHHHHHHHHHT--TT---SHHHHHHHHTTTS-SSEEEEEESTTHHHHTTTSSHHHHHHHHHHHHHTT--EEEEE- DSSP: -EEEEETTT--SHHHHHHHHHHHHT--TT---SHHHHHHHHTTTS-SSEEEEEESTTHHHHTTTSSHHHHHHHHHHHHHTT--EEEEE- ### pdb:1acj ### # turns # Mol*: -------TT----------TT----------------TTTTT----------------------------TTTT-TTTTTT----------------------------------TTT------TTT-TTTTTTTTT-----------TTTT---TT-------TTTTTTTTTTTTTTTTTTTTT--TT-------TTTTTTTTTTTT-TTTTTT----------TT-TT----TTTTTTTTTTTTTTTT-----TTTTTTTTTT--TTTTTTTTTTT-----------------------TTTTTTTT----------------TTTTTTT-TT--TT------TTTTTTTTTTTTTT--TTTTTTTTTTT--TTTTT-TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT-------------TT----TTT---TTTTTTTTTTTTT-TTT---TTTTTTTTTTTTTTTTTTTT--------------------------------TTTTTTTTTTTTTTTTTTT- 614 turns, 223 openings DSSP: -------TT----------TT----------------TTTTT------------------------------TT-TTTTTT----------------------------------TTT------TTT-TTTTTTTTT-----------TTTT---TT-------TTTTTTTTTTTTTTTTTTTTT--TT-------TTTTTTTTTTTT-TTTTTT----------TT-TT----TTTTTTTTTTTTTTTT-----TTTTTTTTTT--TTTTTTTTTTT-----------------------TTTTTTTT----------------TTTTTTT-TT--TT------TTTTTTTTTTT-TT--TTTTTTTTTTT--TTTTT-TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT-------------TT----TTT---TTTTTTTTTTTTT-TTT---TTTTTTTTTTTTTTTTTTTT--------------------------------TTTTTTTTTTTTTTTTTTT- 606 turns, 220 openings # bends # Mol*: --S----SS----------SSS----------S----SS-SSS--------SS-----S-----------SSSS-SSSSSSS--S---S----------SS--SS---------SSSS---S-SSSS--SSSSSSS-----------SSSS----SS-SSS-S-SSSSSSSSSSSSSSSSSSSSS--SSS------SSSSSSSSSSSS-SSSSSS-S----SS--SSSSSS---SSSSSSSSSSSSSSS----S-SSSSSSSSSSS-SSSSSSSSSS--SS--SS--S------SSSSSS-SSSSSSS--S--S-------S--SSSSSSSSSSS--SSS-----SSSSSSSSSSS-SS--SSSSSSSSSSS--SSSSS-SSSSSSSSSSSSSSSSS----SSSSSSSSSSSS-----------SS--S-SSS-S-SS-SSSSSS--SS-SSS---SSSSSSSSSSSSSSSSSSSSSSSS---------SSS------SSSS----SSSS-S----SSSSSSSSSS-- 305 bends DSSP: --S----SS----------SSS----------S----SS-SSS--------SS-----S-----------SSSS-SSSSSSS--S---S----------SS--SS---------SSSS---S-SSSS--SSSSSSS-----------SSSS----SS-SSS-S-SSSSSSSSSSSSSSSSSSSSS--SSS------SSSSSSSSSSSS-SSSSSS-S----SS--SSSSSS---SSSSSSSSSSSSSSS----S-SSSSSSSSSSS-SSSSSSSSSS--SS--SS--S------SSSSSS-SSSSSSS--S--S-------S--SSSSSSSSSSS--SSS-----SSSSSSSSSSS-SS--SSSSSSSSSSS--SSSSS-SSSSSSSSSSSSSSSSS----SSSSSSSSSSSS-----------SS--S-SSS-S-SS-SSSSSS--SS-SSS---SSSSSSSSSSSSSSSSSSSSSSSS---------SSS------SSSS----SSSS-S----SSSSSSSSSS-- 305 bends # helices # Mol*: -------TT----------TT----------------GGGTT----------------------------TTTT-HHHHTT----------------------------------TTT------GGG-THHHHHHHT-----------HHHH---TT-------HHHHHHHHHHHHHHHHGGGGT--TT-------THHHHHHHHHHH-HHHHTT----------TT-TT----HHHHHHHHHHHHHHTT-----HHHHHHHHHH--HHHHHHHHGGG-----------------------HHHHHHHT----------------HHHHHHH-TT--TT------HHHHHHHHHHHTTT--HHHHHHHHHHH--GGGTT-HHHHHHHHHHHHHHHHTHHHHHHHHHHHHTT-------------TT----GGG---TTTTHHHHTTGGG-GGG---HHHHHHHHHHHHHHHHHHHT--------------------------------TTHHHHHHHHTHHHHHHHH- 523 helix elements - 27 3-10, 496 alpha, 0 pi DSSP: -------TT----------TT----------------GGGTT------------------------------TT-HHHHTT----------------------------------TTT------GGG-THHHHHHHT-----------HHHH---TT-------HHHHHHHHHHHHHHHHGGGGT--TT-------THHHHHHHHHHH-HHHHTT----------TT-TT----HHHHHHHHHHHHHHTT-----HHHHHHHHHH--HHHHHHHHGGG-----------------------HHHHHHHT----------------HHHHHHH-TT--TT------HHHHHHHHHHH-TT--HHHHHHHHHHH--GGGTT-HHHHHHHHHHHHHHHHTHHHHHHHHHHHHTT-------------TT----GGG---TTTTHHHHTTGGG-GGG---HHHHHHHHHHHHHHHHHHHT--------------------------------TTHHHHHHHHTHHHHHHHH- 523 helix elements - 27 3-10, 496 alpha, 0 pi # all # Mol*: --SEEEETTEEEE-EEEEETTEEEEEEEEEE-EE---GGGTTS--EE----SSEEE--S---B-------TTTT-HHHHTTS--S-B-S---EEEEEE-SS--SSEEEEEEE--STTT---S-SGGG-THHHHHHHT-EEEE-----SHHHH---TT-SSS-S-HHHHHHHHHHHHHHHHGGGGTEEEEEEEEEEETHHHHHHHHHHH-HHHHTT-SEEEEES--TTSTTSEEEHHHHHHHHHHHHHHTT---S-HHHHHHHHHHS-HHHHHHHHGGG-SS--SS--S--EEE-SSSSSS-HHHHHHHT-S--S-EEEEEESB-SHHHHHHHSTT--TTS-----HHHHHHHHHHHTTT--HHHHHHHHHHH--GGGTT-HHHHHHHHHHHHHHHHTHHHHHHHHHHHHTTSS-EEEEEE----TT--S-GGG-SBTTTTHHHHTTGGG-GGG---HHHHHHHHHHHHHHHHHHHTSSSS---------SSS-EEEEESSSS--EEESTTHHHHHHHHTHHHHHHHH- DSSP: --SEEEETTEEEE-EEEEETTEEEEEEEEEE-EE---GGGTTS--EE----SSEEE--S---B-------SSTT-HHHHTTS--S-B-S---EEEEEE-SS--SSEEEEEEE--STTT---S-SGGG-THHHHHHHT-EEEE-----SHHHH---TT-SSS-S-HHHHHHHHHHHHHHHHGGGGTEEEEEEEEEEETHHHHHHHHHHH-HHHHTT-SEEEEES--TTSTTS-EEHHHHHHHHHHHHHHTT---S-HHHHHHHHHHS-HHHHHHHHGGG-SS--SS--S---EE-SSSSSS-HHHHHHHT-S--S-EEEEEESB-SHHHHHHHSTT--TTS-----HHHHHHHHHHH-TT--HHHHHHHHHHH--GGGTT-HHHHHHHHHHHHHHHHTHHHHHHHHHHHHTTSS-EEEEEE----TT--S-GGG-SBTTTTHHHHTTGGG-GGG---HHHHHHHHHHHHHHHHHHHTSSSS---------SSS-EEEEESSSS--EEESTTHHHHHHHHTHHHHHHHH- TODO fix mismatches e.g. here TODO move to spec.ts once tests are running