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ID of heme	Distortion Sort by saddling ruffling doming breathing	Axial ligands on heme		Function & structure
4nkv-C-600	`sad. -0.10 ruf. +0.43 dom. -0.15 bre. -0.03`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 434.0 Å³ d(Fe-oop): 0.024 Å
4nkv-C-600	`sad. -0.10 ruf. +0.43 dom. -0.15 bre. -0.03`	AER	chainID: C, resSeq: 601, molecule: Abiraterone
4nkv-D-600	`sad. -0.08 ruf. +0.42 dom. -0.08 bre. -0.02`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 423.0 Å³ d(Fe-oop): 0.149 Å
4nkv-D-600	`sad. -0.08 ruf. +0.42 dom. -0.08 bre. -0.02`	AER	chainID: D, resSeq: 601, molecule: Abiraterone
4nkw-A-600	`sad. -0.21 ruf. +0.21 dom. -0.26 bre. -0.18`	CYS	chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 429.0 Å³ d(Fe-oop): 0.250 Å
4nkw-A-600	`sad. -0.21 ruf. +0.21 dom. -0.26 bre. -0.18`	Not assigned.
4nkw-B-600	`sad. -0.14 ruf. +0.26 dom. -0.28 bre. -0.26`	CYS	chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 430.0 Å³ d(Fe-oop): 0.161 Å
4nkw-B-600	`sad. -0.14 ruf. +0.26 dom. -0.28 bre. -0.26`	Not assigned.
4nkw-C-600	`sad. -0.25 ruf. +0.05 dom. -0.30 bre. -0.19`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 440.0 Å³ d(Fe-oop): 0.263 Å
4nkw-C-600	`sad. -0.25 ruf. +0.05 dom. -0.30 bre. -0.19`	Not assigned.
4nkw-D-600	`sad. -0.28 ruf. +0.41 dom. -0.18 bre. -0.21`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 425.0 Å³ d(Fe-oop): 0.212 Å
4nkw-D-600	`sad. -0.28 ruf. +0.41 dom. -0.18 bre. -0.21`	Not assigned.
4nkx-A-600	`sad. -0.29 ruf. +0.24 dom. -0.21 bre. -0.30`	CYS	chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 446.0 Å³ d(Fe-oop): 0.181 Å
4nkx-A-600	`sad. -0.29 ruf. +0.24 dom. -0.21 bre. -0.30`	Not assigned.
4nkx-B-600	`sad. -0.28 ruf. +0.17 dom. -0.19 bre. -0.23`	CYS	chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 433.0 Å³ d(Fe-oop): 0.177 Å
4nkx-B-600	`sad. -0.28 ruf. +0.17 dom. -0.19 bre. -0.23`	Not assigned.
4nkx-C-600	`sad. -0.16 ruf. +0.42 dom. -0.25 bre. -0.23`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 436.0 Å³ d(Fe-oop): 0.150 Å
4nkx-C-600	`sad. -0.16 ruf. +0.42 dom. -0.25 bre. -0.23`	Not assigned.
4nkx-D-600	`sad. -0.11 ruf. +0.10 dom. -0.17 bre. -0.20`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 439.0 Å³ d(Fe-oop): 0.194 Å
4nkx-D-600	`sad. -0.11 ruf. +0.10 dom. -0.17 bre. -0.20`	Not assigned.
4nky-A-600	`sad. -0.23 ruf. +0.12 dom. -0.25 bre. -0.31`	CYS	chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 431.0 Å³ d(Fe-oop): 0.280 Å
4nky-A-600	`sad. -0.23 ruf. +0.12 dom. -0.25 bre. -0.31`	Not assigned.
4nky-B-600	`sad. -0.23 ruf. +0.25 dom. -0.34 bre. -0.19`	CYS	chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 441.0 Å³ d(Fe-oop): 0.234 Å
4nky-B-600	`sad. -0.23 ruf. +0.25 dom. -0.34 bre. -0.19`	Not assigned.
4nky-C-600	`sad. -0.08 ruf. +0.06 dom. -0.30 bre. -0.32`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 451.0 Å³ d(Fe-oop): 0.133 Å
4nky-C-600	`sad. -0.08 ruf. +0.06 dom. -0.30 bre. -0.32`	Not assigned.
4nky-D-600	`sad. -0.17 ruf. +0.31 dom. -0.25 bre. -0.29`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 456.0 Å³ d(Fe-oop): 0.245 Å
4nky-D-600	`sad. -0.17 ruf. +0.31 dom. -0.25 bre. -0.29`	Not assigned.
4nkz-A-600	`sad. -0.32 ruf. +0.15 dom. -0.03 bre. -0.21`	CYS	chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 435.0 Å³ d(Fe-oop): 0.209 Å
4nkz-A-600	`sad. -0.32 ruf. +0.15 dom. -0.03 bre. -0.21`	Not assigned.
4nkz-B-600	`sad. -0.21 ruf. +0.16 dom. -0.14 bre. -0.24`	CYS	chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 464.0 Å³ d(Fe-oop): 0.197 Å
4nkz-B-600	`sad. -0.21 ruf. +0.16 dom. -0.14 bre. -0.24`	Not assigned.
4nkz-C-600	`sad. +0.02 ruf. +0.06 dom. -0.23 bre. -0.27`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 460.0 Å³ d(Fe-oop): 0.171 Å
4nkz-C-600	`sad. +0.02 ruf. +0.06 dom. -0.23 bre. -0.27`	Not assigned.
4nkz-D-600	`sad. -0.15 ruf. +0.18 dom. -0.07 bre. -0.24`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 450.0 Å³ d(Fe-oop): 0.205 Å
4nkz-D-600	`sad. -0.15 ruf. +0.18 dom. -0.07 bre. -0.24`	Not assigned.
4nl5-A-201	`sad. +0.27 ruf. -1.27 dom. +0.29 bre. +0.04`	HIS	chainID: A, resSeq: 75, molecule: Heme-degrading monooxygenase HmoB	oxidoreductase oligomeric count: 2 pocket vol.: 553.0 Å³ d(Fe-oop): 0.013 Å
4nl5-A-201	`sad. +0.27 ruf. -1.27 dom. +0.29 bre. +0.04`	CYN	chainID: A, resSeq: 202, molecule: CYANIDE ION
4nl5-B-201	`sad. +0.28 ruf. -1.38 dom. +0.26 bre. +0.07`	HIS	chainID: B, resSeq: 75, molecule: Heme-degrading monooxygenase HmoB	oxidoreductase oligomeric count: 2 pocket vol.: 545.0 Å³ d(Fe-oop): 0.005 Å
4nl5-B-201	`sad. +0.28 ruf. -1.38 dom. +0.26 bre. +0.07`	CYN	chainID: B, resSeq: 202, molecule: CYANIDE ION

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