A0A087XSU3_POEFO Loading...

C-1-tetrahydrofolate synthase, cytoplasmic

Trifunctional enzyme that catalyzes the interconversion of three forms of one-carbon-substituted tetrahydrofolate: (6R)-5,10-methylene-5,6,7,8-tetrahydrofolate, 5,10-methenyltetrahydrofolate and (6S)-10-formyltetrahydrofolate. These derivatives of tetrahydrofolate are differentially required in nucleotide and amino acid biosynthesis, (6S)-10-formyltetrahydrofolate being required for purine biosynthesis while (6R)-5,10-methylene-5,6,7,8-tetrahydrofolate is used for serine and methionine biosynthesis for instance.

AlphaFold DB , UniProt , Accession A0A087XSU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 897 aa.

						>A0A087XSU3_POEFO|A0A087XSU3
MFWQVGGREDSNLYISMKLKAAAEIGINAIHMKLPKTATEEEVLHSIREVNENSSVHGLIVQLPLDSIHKINTEKVTNAVAPEKDVDGLTSINAGKLSRGDLGDCFIPCTPNGCMELIRQTGLSVAGKRAVVIGRSKIVGAPMHDLLLWNHATVTTCHSKTADLAGEVGKADILVVGMGKAEMVKGEWIKKGAVVIDCGINHIPDQTKSSGKRVVGDVHFASAKEQAGFITPVPGGVGPMTVAMLMGNTVLSAKRFLENHQAGKWGISYNKLSLQKPVPSDIAISRSCVPKPIDRLAREVGLLSDEVEFYGKTKAKVQLSIIKRLQSQPDGKYVVVTGITPTPLGEGKSTTTVGLVQALGAHLKLNVFACVRQPSQGPTFGIKGGAAGGGYSQVIPMEEFNLHLTGDIHAITAANNLVAAAVDARMFHEATQSDKALYNRLVPLSGGQRTFSPVQINRLKKLGIEKTDPSTLIDEEITRFARLDIDPSSVTWQRVLDTNDRFLRKITIGQSPTEKGYTREAQFDITVASEIMAVLALTSSLEDMRQRLAKMVVATSRSGDPVTTEDLGVSGALAVLMKDAIKPNLMQTLEGTPVFVHAGPFANIAHGNSSILADKIALKLVGPEGFVVTEAGFGADIGMEKFFNIKCRYSGLRPHVVVLVATVRALKMHGGGPIVTAGMPLPKEYVEENLELLKNGCSNMRKQIENAKHFGVPVVVAVNGFKTDTQVELDLVCSMAKAAGAFDAVCCSHWAEGGAGAVALGQAVQRASEAPSDFKFLYDLDLPISDKIRIIAQKIYGADDIELLPEAQHKVELYTKQGFGNLPICMAKTHLSLSHEAEKKGVPTGFVLPIRDIRASVGAGFLFPLVGTMPTIPGLPTRPCFYDIDLDTETEQVNGLF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.6	Confident	85.8	Confident	31 Å²	31	40.5 Å²	40.5	15%	0.153	20%	0.202	C	C	.	.				0	133.1	0	-172.3	164.1	-81.4	0	0	109.1	I30 M32 V50 V56 G58 I60	M1-I30 CarbonylContact C-O 3.54Å; M1-I30 VanDerWaalsContact CA-O 3.31Å; M1-I30 WeakPolarHBondContact CA-O 3.42Å; M1-I30 HydrophobicContact CE-CB 3.81Å; M1-I30 HydrophobicContact CE-CD1 3.83Å; M1-I30 HydrophobicContact CE-CG1 4.4Å; M1-I30 HydrophobicContact CE-CG2 3.85Å; M1-M32 HydrophobicContact CE-CE 4.13Å; M1-M32 HydrophobicContact SD-CE 3.65Å; M1-V50 HydrophobicContact CB-CG1 4.38Å; M1-V50 HydrophobicContact CE-CG1 4.45Å; M1-V50 HydrophobicContact CE-CG2 4.41Å; M1-V50 HydrophobicContact SD-CB 4.1Å; M1-V50 HydrophobicContact SD-CG1 3.5Å; M1-V50 VanDerWaalsContact SD-CG1 3.5Å; M1-V50 HydrophobicContact SD-CG2 3.4Å; M1-V50 WeakPolarHBondContact SD-CG2 3.46Å; M1-V56 HydrophobicContact CB-CG1 4.1Å; M1-V56 HydrophobicContact CE-CG2 4.38Å; M1-G58 PolarHBondContact N-O 2.97Å; M1-I60 PolarHBondContact O-N 2.83Å
2	F	90.4	Very high	85.7	Confident	12 Å²	12	41.9 Å²	41.9	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.9	178	-55	-55.1	0	0	0	109.8	K18 L19 A29 I30 M32 I60 L245 M246	F2-K18 HydrophobicContact CD1-CD 4.19Å; F2-K18 HydrophobicContact CE1-CB 3.94Å; F2-K18 HydrophobicContact CE1-CD 3.99Å; F2-K18 HydrophobicContact CE1-CG 4.44Å; F2-K18 HydrophobicContact CE2-CB 3.87Å; F2-K18 HydrophobicContact CZ-CB 3.55Å; F2-K18 HydrophobicContact CZ-CD 4.46Å; F2-K18 HydrophobicContact CZ-CG 4.48Å; F2-L19 HydrophobicContact CD2-CD2 3.79Å; F2-L19 HydrophobicContact CD2-CG 4.06Å; F2-L19 HydrophobicContact CE2-CD2 3.78Å; F2-L19 HydrophobicContact CE2-CG 4.04Å; F2-A29 HydrophobicContact CD2-CB 4.43Å; F2-A29 HydrophobicContact CE2-CB 3.69Å; F2-A29 HydrophobicContact CZ-CB 4.31Å; F2-I30 PolarHBondContact N-O 3.39Å; F2-M32 PolarHBondContact O-N 2.95Å; F2-I60 HydrophobicContact CD1-CB 4.18Å; F2-I60 HydrophobicContact CD1-CG2 3.8Å; F2-L245 HydrophobicContact CE1-CD2 4.1Å; F2-M246 HydrophobicContact CZ-CE 4.3Å
3	W	89.3	Confident	85.2	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.2	-177	-94.8	90.7	0	0	0	111.3	M32 L34 S46 I47 V50 I60 Q62	W3-M32 HydrophobicContact CD2-CB 4.3Å; W3-M32 HydrophobicContact CD2-SD 4.49Å; W3-M32 HydrophobicContact CH2-CG 3.94Å; W3-M32 HydrophobicContact CH2-SD 3.14Å; W3-M32 WeakPolarHBondContact CH2-SD 3.4Å; W3-M32 HydrophobicContact CZ2-CB 4.39Å; W3-M32 HydrophobicContact CZ2-CE 3.85Å; W3-M32 HydrophobicContact CZ2-CG 4.03Å; W3-M32 HydrophobicContact CZ2-SD 2.99Å; W3-M32 WeakPolarHBondContact CZ2-SD 3.48Å; W3-M32 HydrophobicContact CZ3-CG 4.33Å; W3-M32 HydrophobicContact CZ3-SD 4.07Å; W3-L34 HydrophobicContact CE3-CD1 4.44Å; W3-L34 HydrophobicContact CE3-CG 4.46Å; W3-L34 HydrophobicContact CH2-CD1 4.17Å; W3-L34 HydrophobicContact CH2-CD2 4.46Å; W3-L34 HydrophobicContact CH2-CG 4.22Å; W3-L34 HydrophobicContact CZ3-CD1 3.46Å; W3-L34 VanDerWaalsContact CZ3-CD1 3.46Å; W3-L34 HydrophobicContact CZ3-CD2 4.25Å; W3-L34 HydrophobicContact CZ3-CG 3.55Å; W3-S46 WeakPolarHBondContact CH2-OG 3.3Å; W3-S46 VanDerWaalsContact CZ2-C 3.5Å; W3-S46 VanDerWaalsContact CZ2-CB 3.5Å; W3-S46 WeakPolarHBondContact CZ2-OG 3.37Å; W3-I47 HydrophobicContact CD2-CG1 4.3Å; W3-V50 HydrophobicContact CZ2-CG2 4.33Å; W3-I60 VanDerWaalsContact CB-O 3.26Å; W3-I60 WeakPolarHBondContact CB-O 3.33Å; W3-I60 PolarHBondContact N-O 3.24Å; W3-Q62 VanDerWaalsContact O-CB 3.27Å; W3-Q62 WeakPolarHBondContact O-CB 3.25Å; W3-Q62 PolarHBondContact O-N 2.96Å
4	Q	92.8	Very high	84.9	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.5	178.1	-173.8	-177.3	19.9	0	0	110.6	N12 I15 H31 M32 K33 L34	Q4-N12 PolarHBondContact NE2-OD1 2.95Å; Q4-N12 PolarHBondContact OE1-OD1 3.04Å; Q4-I15 HydrophobicContact CB-CD1 3.81Å; Q4-I15 HydrophobicContact CG-CD1 4.03Å; Q4-H31 PolarHBondContact OE1-CE1 3.31Å; Q4-H31 VanDerWaalsContact OE1-CE1 3.24Å; Q4-H31 PolarHBondContact OE1-NE2 2.98Å; Q4-M32 PolarHBondContact N-O 3.12Å; Q4-K33 WeakPolarHBondContact O-CA 3.3Å; Q4-L34 PolarHBondContact O-N 2.9Å
5	V	92.1	Very high	85.1	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	165.1	-177.2	0	0	0	0	108.2	L34 V43 L65 D66 I71	V5-L34 HydrophobicContact CG2-CB 4.45Å; V5-V43 HydrophobicContact CG2-CG1 4.33Å; V5-V43 HydrophobicContact CG2-CG2 3.91Å; V5-L65 HydrophobicContact CB-CB 4.44Å; V5-L65 HydrophobicContact CB-CD2 4.3Å; V5-L65 HydrophobicContact CG2-CD2 3.99Å; V5-D66 WeakPolarHBondContact O-CB 3.42Å; V5-D66 PolarHBondContact O-N 3.49Å; V5-D66 VanDerWaalsContact O-N 3.17Å; V5-I71 HydrophobicContact CG1-CD1 4.42Å
6	G	90.2	Very high	85.3	Confident	5 Å²	5	47.6 Å²	47.6	5%	0.052	24%	0.242	C	C	.	.	S	Bend	trans	76.9	-147.6	-178	0	0	0	0	0	113.2	K33 L34 D66	G6-K33 WeakPolarHBondContact O-CE 3.23Å; G6-L34 PolarHBondContact N-O 2.95Å; G6-D66 VanDerWaalsContact CA-O 3.27Å; G6-D66 WeakPolarHBondContact CA-O 3.17Å
7	G	85.7	Confident	85.4	Confident	25 Å²	25	49.8 Å²	49.8	26%	0.258	25%	0.252	S	S	.	.			trans	-156.5	27.1	-164.9	0	0	0	0	0	116.1	E9 N12 D66	G7-E9 PolarHBondContact O-N 3.18Å; G7-N12 PolarHBondContact O-ND2 3.41Å; G7-D66 PolarHBondContact N-OD2 2.7Å
8	R	82.4	Confident	85.8	Confident	109 Å²	109	47.9 Å²	47.9	41%	0.411	24%	0.242	S	C	.	.			trans	-51.3	138.4	176.1	-74	174.6	60.9	139.3	1.1	112.4	D10 S11 N12 D66	R8-D10 WeakPolarHBondContact CB-OD1 3.16Å; R8-D10 IonicContact CZ-OD1 2.67Å; R8-D10 IonicContact CZ-OD2 2.95Å; R8-D10 IonicContact NE-OD1 3.58Å; R8-D10 PolarHBondContact NE-OD1 3.25Å; R8-D10 VanDerWaalsContact NE-OD1 3.13Å; R8-D10 IonicContact NE-OD2 3.65Å; R8-D10 IonicContact NH2-OD1 3.35Å; R8-D10 IonicContact NH2-OD2 3.07Å; R8-D10 PolarHBondContact NH2-OD2 2.88Å; R8-D10 PolarHBondContact O-N 3.01Å; R8-S11 PolarHBondContact O-N 2.85Å; R8-N12 VanDerWaalsContact O-CG 3.25Å; R8-N12 PolarHBondContact O-N 2.84Å; R8-N12 VanDerWaalsContact O-N 3.08Å; R8-N12 PolarHBondContact O-ND2 3.49Å; R8-D66 HydrophobicContact CG-CB 3.78Å; R8-D66 PolarHBondContact N-OD2 2.87Å
9	E	75.2	Confident	86.2	Confident	173 Å²	173	48.2 Å²	48.2	81%	0.808	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-40.7	-175.4	-70.1	-176.8	166.2	0	0	113.1	G7 N12 L13	G7-E9 PolarHBondContact O-N 3.18Å; E9-N12 PolarHBondContact O-N 3.11Å; E9-L13 PolarHBondContact O-N 3.02Å; E9-L13 VanDerWaalsContact O-N 3.17Å
10	D	74.3	Confident	86.6	Confident	74 Å²	74	52.6 Å²	52.6	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.6	54.3	-4.5	0	0	0	111.7	R8 N12 L13 Y14	R8-D10 WeakPolarHBondContact CB-OD1 3.16Å; R8-D10 IonicContact CZ-OD1 2.67Å; R8-D10 IonicContact CZ-OD2 2.95Å; R8-D10 IonicContact NE-OD1 3.58Å; R8-D10 PolarHBondContact NE-OD1 3.25Å; R8-D10 VanDerWaalsContact NE-OD1 3.13Å; R8-D10 IonicContact NE-OD2 3.65Å; R8-D10 IonicContact NH2-OD1 3.35Å; R8-D10 IonicContact NH2-OD2 3.07Å; R8-D10 PolarHBondContact NH2-OD2 2.88Å; R8-D10 PolarHBondContact O-N 3.01Å; D10-N12 PolarHBondContact O-N 3.25Å; D10-L13 PolarHBondContact O-N 3.46Å; D10-Y14 WeakPolarHBondContact O-CD2 3.45Å; D10-Y14 PolarHBondContact O-N 2.66Å
11	S	82.3	Confident	86.9	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-40.5	174.7	-66.6	0	0	0	0	112.9	R8 L13 Y14 I15	R8-S11 PolarHBondContact O-N 2.85Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.4Å; S11-Y14 PolarHBondContact O-N 2.94Å; S11-I15 WeakPolarHBondContact O-CG1 3.18Å; S11-I15 PolarHBondContact O-N 3.06Å
12	N	83.8	Confident	87.1	Confident	58 Å²	58	49.6 Å²	49.6	31%	0.31	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-40	180	-64.8	-28.5	0	0	0	111.9	Q4 G7 R8 E9 D10 I15 S16	Q4-N12 PolarHBondContact NE2-OD1 2.95Å; Q4-N12 PolarHBondContact OE1-OD1 3.04Å; G7-N12 PolarHBondContact O-ND2 3.41Å; R8-N12 VanDerWaalsContact O-CG 3.25Å; R8-N12 PolarHBondContact O-N 2.84Å; R8-N12 VanDerWaalsContact O-N 3.08Å; R8-N12 PolarHBondContact O-ND2 3.49Å; E9-N12 PolarHBondContact O-N 3.11Å; D10-N12 PolarHBondContact O-N 3.25Å; N12-I15 PolarHBondContact O-N 3.01Å; N12-S16 PolarHBondContact O-N 2.87Å
13	L	80.3	Confident	87.2	Confident	110 Å²	110	52.6 Å²	52.6	58%	0.576	28%	0.277	S	S	*	.	H	α-helix	trans	-64.3	-42.9	177.3	-177.9	65.3	0	0	0	111.6	E9 D10 S11 S16 M17	E9-L13 PolarHBondContact O-N 3.02Å; E9-L13 VanDerWaalsContact O-N 3.17Å; D10-L13 PolarHBondContact O-N 3.46Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.4Å; L13-S16 PolarHBondContact O-N 3.27Å; L13-S16 PolarHBondContact O-OG 3.17Å; L13-M17 WeakPolarHBondContact O-CG 3.5Å; L13-M17 PolarHBondContact O-N 3.09Å
14	Y	80.6	Confident	87.5	Confident	86 Å²	86	58.9 Å²	58.9	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-41	177.3	-92.8	-83.4	0	0	0	112.7	D10 S11 M17 K18 I200	D10-Y14 WeakPolarHBondContact O-CD2 3.45Å; D10-Y14 PolarHBondContact O-N 2.66Å; S11-Y14 PolarHBondContact O-N 2.94Å; Y14-M17 PolarHBondContact O-N 3.11Å; Y14-K18 WeakPolarHBondContact O-CG 3.4Å; Y14-K18 PolarHBondContact O-N 2.8Å; Y14-K18 VanDerWaalsContact O-N 3.11Å; Y14-I200 WeakPolarHBondContact OH-CD1 3.48Å
15	I	88.3	Confident	87.5	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-41.1	178.2	-69.4	169.7	0	0	0	110.9	Q4 S11 N12 M17 K18 L19 Q62	Q4-I15 HydrophobicContact CB-CD1 3.81Å; Q4-I15 HydrophobicContact CG-CD1 4.03Å; S11-I15 WeakPolarHBondContact O-CG1 3.18Å; S11-I15 PolarHBondContact O-N 3.06Å; N12-I15 PolarHBondContact O-N 3.01Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 PolarHBondContact O-N 3.08Å; I15-K18 PolarHBondContact O-N 3.32Å; I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.04Å; I15-Q62 HydrophobicContact CD1-CB 4.19Å; I15-Q62 HydrophobicContact CD1-CG 3.99Å; I15-Q62 HydrophobicContact CG1-CG 4.18Å
16	S	87.8	Confident	87.5	Confident	60 Å²	60	66.4 Å²	66.4	42%	0.42	36%	0.362	S	S	.	.	H	α-helix	trans	-63	-39.4	178.8	71.6	0	0	0	0	112.2	N12 L13 L19 K20	N12-S16 PolarHBondContact O-N 2.87Å; L13-S16 PolarHBondContact O-N 3.27Å; L13-S16 PolarHBondContact O-OG 3.17Å; S16-L19 PolarHBondContact O-N 3.45Å; S16-K20 WeakPolarHBondContact O-CB 3.47Å; S16-K20 PolarHBondContact O-N 2.99Å
17	M	87.8	Confident	87.6	Confident	84 Å²	84	68 Å²	68	41%	0.414	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-44	173.2	-69.5	179.6	69.7	0	0	112.1	L13 Y14 I15 K20 A21	L13-M17 WeakPolarHBondContact O-CG 3.5Å; L13-M17 PolarHBondContact O-N 3.09Å; Y14-M17 PolarHBondContact O-N 3.11Å; I15-M17 VanDerWaalsContact C-N 3.33Å; I15-M17 PolarHBondContact O-N 3.08Å; M17-K20 PolarHBondContact O-N 2.75Å; M17-A21 WeakPolarHBondContact O-CB 3.28Å; M17-A21 PolarHBondContact O-N 2.97Å
18	K	92.6	Very high	88	Confident	16 Å²	16	73.7 Å²	73.7	7%	0.07	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-42.7	178	-68.5	169.4	-178.7	178.8	0	112	F2 Y14 I15 A21 A22 V242 L245 M246	F2-K18 HydrophobicContact CD1-CD 4.19Å; F2-K18 HydrophobicContact CE1-CB 3.94Å; F2-K18 HydrophobicContact CE1-CD 3.99Å; F2-K18 HydrophobicContact CE1-CG 4.44Å; F2-K18 HydrophobicContact CE2-CB 3.87Å; F2-K18 HydrophobicContact CZ-CB 3.55Å; F2-K18 HydrophobicContact CZ-CD 4.46Å; F2-K18 HydrophobicContact CZ-CG 4.48Å; Y14-K18 WeakPolarHBondContact O-CG 3.4Å; Y14-K18 PolarHBondContact O-N 2.8Å; Y14-K18 VanDerWaalsContact O-N 3.11Å; I15-K18 PolarHBondContact O-N 3.32Å; K18-A21 PolarHBondContact O-N 2.84Å; K18-A22 WeakPolarHBondContact O-CB 3.28Å; K18-A22 PolarHBondContact O-N 2.6Å; K18-V242 HydrophobicContact CG-CG1 4.33Å; K18-V242 HydrophobicContact CG-CG2 4.16Å; K18-L245 HydrophobicContact CD-CD2 3.94Å; K18-L245 HydrophobicContact CG-CD2 4.07Å; K18-M246 HydrophobicContact CB-CE 4.4Å; K18-M246 WeakPolarHBondContact O-CE 2.99Å
19	L	93	Very high	88.5	Confident	53 Å²	53	69.7 Å²	69.7	28%	0.277	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-44	176.3	-73.9	168.2	0	0	0	111.5	F2 I15 S16 A22 A23 A29 H31	F2-L19 HydrophobicContact CD2-CD2 3.79Å; F2-L19 HydrophobicContact CD2-CG 4.06Å; F2-L19 HydrophobicContact CE2-CD2 3.78Å; F2-L19 HydrophobicContact CE2-CG 4.04Å; I15-L19 HydrophobicContact CG2-CD1 3.8Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.04Å; S16-L19 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.42Å; L19-A23 PolarHBondContact O-N 2.91Å; L19-A29 HydrophobicContact CD2-CB 3.86Å; L19-H31 HydrophobicContact CD1-CB 4.27Å; L19-H31 HydrophobicContact CD2-CB 4.44Å
20	K	93.1	Very high	89.3	Confident	137 Å²	137	65.4 Å²	65.4	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-60.9	-50.4	176.7	-173.1	-176.2	-179.6	-161.5	0	111.4	S16 M17 A22 A23 E24	S16-K20 WeakPolarHBondContact O-CB 3.47Å; S16-K20 PolarHBondContact O-N 2.99Å; M17-K20 PolarHBondContact O-N 2.75Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.37Å; K20-A23 PolarHBondContact O-N 3.4Å; K20-E24 WeakPolarHBondContact CE-OE1 3.45Å; K20-E24 IonicContact NZ-OE1 3.54Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 2.93Å
21	A	93.1	Very high	90.2	Very high	21 Å²	21	65.1 Å²	65.1	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-41.6	178.9	0	0	0	0	0	112	M17 K18 E24 I25 V242 M246	M17-A21 WeakPolarHBondContact O-CB 3.28Å; M17-A21 PolarHBondContact O-N 2.97Å; K18-A21 PolarHBondContact O-N 2.84Å; A21-E24 PolarHBondContact O-N 3.44Å; A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 3.26Å; A21-V242 HydrophobicContact CB-CG1 3.63Å; A21-M246 HydrophobicContact CB-CE 4.27Å
22	A	93.5	Very high	90.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.8	-45.4	175.8	0	0	0	0	0	111.8	K18 L19 K20 E24 I25 G26 I27 A29 M246	K18-A22 WeakPolarHBondContact O-CB 3.28Å; K18-A22 PolarHBondContact O-N 2.6Å; L19-A22 PolarHBondContact O-N 3.23Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 3.37Å; A22-E24 PolarHBondContact O-N 3.31Å; A22-I25 WeakPolarHBondContact O-CG1 3.39Å; A22-I25 PolarHBondContact O-N 3.11Å; A22-G26 PolarHBondContact O-N 3.25Å; A22-G26 VanDerWaalsContact O-N 3.13Å; A22-I27 CarbonylContact C-O 3.11Å; A22-I27 HydrophobicContact CB-CB 4.05Å; A22-I27 HydrophobicContact CB-CG2 4.19Å; A22-I27 PolarHBondContact O-N 2.92Å; A22-A29 HydrophobicContact CB-CB 3.63Å; A22-M246 HydrophobicContact CB-CE 4.07Å; A22-M246 HydrophobicContact CB-SD 4.01Å
23	A	93.3	Very high	91.1	Very high	74 Å²	74	70.1 Å²	70.1	61%	0.612	38%	0.381	S	S	*	.	H	α-helix	trans	-63	-41.5	177.7	0	0	0	0	0	112.5	L19 K20 I25 G26	L19-A23 WeakPolarHBondContact O-CB 3.42Å; L19-A23 PolarHBondContact O-N 2.91Å; K20-A23 PolarHBondContact O-N 3.4Å; A23-I25 VanDerWaalsContact C-N 3.26Å; A23-I25 PolarHBondContact O-N 2.82Å; A23-G26 PolarHBondContact O-N 2.79Å
24	E	94.7	Very high	91.7	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-59.8	-33.6	179	-76.1	172.8	177.1	0	0	113.1	K20 A21 A22	K20-E24 WeakPolarHBondContact CE-OE1 3.45Å; K20-E24 IonicContact NZ-OE1 3.54Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 2.93Å; A21-E24 PolarHBondContact O-N 3.44Å; A22-E24 PolarHBondContact O-N 3.31Å
25	I	93	Very high	92.4	Very high	98 Å²	98	65.9 Å²	65.9	50%	0.503	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	7	-179.2	69	176.2	0	0	0	113.5	A21 A22 A23 I27 M246	A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 3.26Å; A22-I25 WeakPolarHBondContact O-CG1 3.39Å; A22-I25 PolarHBondContact O-N 3.11Å; A23-I25 VanDerWaalsContact C-N 3.26Å; A23-I25 PolarHBondContact O-N 2.82Å; I25-I27 HydrophobicContact CD1-CD1 3.56Å; I25-I27 HydrophobicContact CD1-CG1 3.96Å; I25-I27 HydrophobicContact CG1-CB 4.41Å; I25-I27 HydrophobicContact CG1-CD1 4.14Å; I25-I27 HydrophobicContact CG1-CG1 3.97Å; I25-M246 HydrophobicContact CD1-CB 3.5Å; I25-M246 VanDerWaalsContact CD1-CB 3.5Å; I25-M246 HydrophobicContact CD1-CG 3.62Å; I25-M246 HydrophobicContact CD1-SD 4.13Å
26	G	92.4	Very high	92.7	Very high	68 Å²	68	70.4 Å²	70.4	70%	0.701	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	16.9	177.6	0	0	0	0	0	115.9	A22 A23	A22-G26 PolarHBondContact O-N 3.25Å; A22-G26 VanDerWaalsContact O-N 3.13Å; A23-G26 PolarHBondContact O-N 2.79Å
27	I	93.7	Very high	93	Very high	40 Å²	40	71.5 Å²	71.5	21%	0.205	39%	0.393	C	S	.	.			trans	-79.9	123.7	170.5	-68.2	-179.4	0	0	0	109.3	A22 I25 A29 M246 T249 V250	A22-I27 CarbonylContact C-O 3.11Å; A22-I27 HydrophobicContact CB-CB 4.05Å; A22-I27 HydrophobicContact CB-CG2 4.19Å; A22-I27 PolarHBondContact O-N 2.92Å; I25-I27 HydrophobicContact CD1-CD1 3.56Å; I25-I27 HydrophobicContact CD1-CG1 3.96Å; I25-I27 HydrophobicContact CG1-CB 4.41Å; I25-I27 HydrophobicContact CG1-CD1 4.14Å; I25-I27 HydrophobicContact CG1-CG1 3.97Å; I27-A29 PolarHBondContact O-N 2.89Å; I27-M246 HydrophobicContact CD1-CB 4.28Å; I27-M246 HydrophobicContact CD1-SD 3.92Å; I27-T249 HydrophobicContact CD1-CG2 4.26Å; I27-V250 HydrophobicContact CD1-CG2 4.14Å
28	N	93.1	Very high	93.3	Very high	144 Å²	144	67.7 Å²	67.7	77%	0.77	37%	0.374	S	S	*	.			trans	-70.6	111.3	169.9	-174.6	14.9	0	0	0	110.2
29	A	93.1	Very high	93.4	Very high	25 Å²	25	69.5 Å²	69.5	21%	0.207	39%	0.387	C	S	.	.			trans	-115.3	125.4	-178.8	0	0	0	0	0	111.6	F2 L19 A22 I27	F2-A29 HydrophobicContact CD2-CB 4.43Å; F2-A29 HydrophobicContact CE2-CB 3.69Å; F2-A29 HydrophobicContact CZ-CB 4.31Å; L19-A29 HydrophobicContact CD2-CB 3.86Å; A22-A29 HydrophobicContact CB-CB 3.63Å; I27-A29 PolarHBondContact O-N 2.89Å
30	I	92.3	Very high	93.5	Very high	83 Å²	83	69.4 Å²	69.4	43%	0.426	39%	0.385	S	S	.	.			trans	-107.2	132.2	176.3	-56.2	170.6	0	0	0	108.6	M1 F2	M1-I30 CarbonylContact C-O 3.54Å; M1-I30 VanDerWaalsContact CA-O 3.31Å; M1-I30 WeakPolarHBondContact CA-O 3.42Å; M1-I30 HydrophobicContact CE-CB 3.81Å; M1-I30 HydrophobicContact CE-CD1 3.83Å; M1-I30 HydrophobicContact CE-CG1 4.4Å; M1-I30 HydrophobicContact CE-CG2 3.85Å; F2-I30 PolarHBondContact N-O 3.39Å
31	H	93.3	Very high	93.5	Very high	67 Å²	67	67.7 Å²	67.7	31%	0.31	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.8	172	176.5	-156.8	0	0	0	109.6	Q4 L19	Q4-H31 PolarHBondContact OE1-CE1 3.31Å; Q4-H31 VanDerWaalsContact OE1-CE1 3.24Å; Q4-H31 PolarHBondContact OE1-NE2 2.98Å; L19-H31 HydrophobicContact CD1-CB 4.27Å; L19-H31 HydrophobicContact CD2-CB 4.44Å
32	M	91.5	Very high	93.4	Very high	51 Å²	51	71.7 Å²	71.7	25%	0.251	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.3	173.1	-163.6	170.8	-49.7	0	0	110	M1 F2 W3 Q4 V50	M1-M32 HydrophobicContact CE-CE 4.13Å; M1-M32 HydrophobicContact SD-CE 3.65Å; F2-M32 PolarHBondContact O-N 2.95Å; W3-M32 HydrophobicContact CD2-CB 4.3Å; W3-M32 HydrophobicContact CD2-SD 4.49Å; W3-M32 HydrophobicContact CH2-CG 3.94Å; W3-M32 HydrophobicContact CH2-SD 3.14Å; W3-M32 WeakPolarHBondContact CH2-SD 3.4Å; W3-M32 HydrophobicContact CZ2-CB 4.39Å; W3-M32 HydrophobicContact CZ2-CE 3.85Å; W3-M32 HydrophobicContact CZ2-CG 4.03Å; W3-M32 HydrophobicContact CZ2-SD 2.99Å; W3-M32 WeakPolarHBondContact CZ2-SD 3.48Å; W3-M32 HydrophobicContact CZ3-CG 4.33Å; W3-M32 HydrophobicContact CZ3-SD 4.07Å; Q4-M32 PolarHBondContact N-O 3.12Å; M32-V50 HydrophobicContact CE-CG2 4.02Å
33	K	93.4	Very high	93.4	Very high	116 Å²	116	71.8 Å²	71.8	50%	0.504	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.7	-176.2	-172	177.4	-174.4	175.9	0	110.4	Q4 G6	Q4-K33 WeakPolarHBondContact O-CA 3.3Å; G6-K33 WeakPolarHBondContact O-CE 3.23Å
34	L	92.7	Very high	93.4	Very high	33 Å²	33	68.6 Å²	68.6	17%	0.173	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	148.4	172.7	-71.2	-171.5	0	0	0	111.9	W3 Q4 V5 G6 A38 V43	W3-L34 HydrophobicContact CE3-CD1 4.44Å; W3-L34 HydrophobicContact CE3-CG 4.46Å; W3-L34 HydrophobicContact CH2-CD1 4.17Å; W3-L34 HydrophobicContact CH2-CD2 4.46Å; W3-L34 HydrophobicContact CH2-CG 4.22Å; W3-L34 HydrophobicContact CZ3-CD1 3.46Å; W3-L34 VanDerWaalsContact CZ3-CD1 3.46Å; W3-L34 HydrophobicContact CZ3-CD2 4.25Å; W3-L34 HydrophobicContact CZ3-CG 3.55Å; Q4-L34 PolarHBondContact O-N 2.9Å; V5-L34 HydrophobicContact CG2-CB 4.45Å; G6-L34 PolarHBondContact N-O 2.95Å; L34-A38 HydrophobicContact CB-CB 3.95Å; L34-A38 HydrophobicContact CD1-CB 3.89Å; L34-V43 HydrophobicContact CD1-CB 4.34Å; L34-V43 HydrophobicContact CD1-CG2 3.78Å
35	P	93.9	Very high	93.1	Very high	75 Å²	75	66.4 Å²	66.4	49%	0.487	36%	0.357	S	S	.	.			trans	-65.6	159.7	175.8	30.3	-36.2	0	0	0	111.1	T37 A38	P35-T37 PolarHBondContact O-N 3.37Å; P35-T37 VanDerWaalsContact O-N 3.09Å; P35-A38 HydrophobicContact CG-CB 4.49Å; P35-A38 WeakPolarHBondContact O-CB 3.24Å; P35-A38 PolarHBondContact O-N 2.85Å
36	K	94.6	Very high	93	Very high	97 Å²	97	62.5 Å²	62.5	42%	0.422	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.5	174.2	-63.1	-163.7	-179.4	-141.9	0	113.1	A38 D66 S67 I68	K36-A38 VanDerWaalsContact C-N 3.29Å; K36-D66 WeakPolarHBondContact CE-OD2 3.37Å; K36-D66 IonicContact NZ-OD1 3.42Å; K36-D66 PolarHBondContact NZ-OD1 3.23Å; K36-D66 IonicContact NZ-OD2 3.99Å; K36-D66 PolarHBondContact NZ-OD2 3.38Å; K36-S67 WeakPolarHBondContact O-CA 3.49Å; K36-S67 PolarHBondContact O-OG 2.81Å; K36-I68 HydrophobicContact CB-CG2 4.24Å; K36-I68 WeakPolarHBondContact O-CG1 3.36Å; K36-I68 PolarHBondContact O-N 3.46Å
37	T	95.1	Very high	93	Very high	84 Å²	84	59.2 Å²	59.2	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.2	178.7	55.7	0	0	0	0	113.6	P35 T39 I68 H69	P35-T37 PolarHBondContact O-N 3.37Å; P35-T37 VanDerWaalsContact O-N 3.09Å; T37-T39 PolarHBondContact O-N 2.85Å; T37-I68 HydrophobicContact CG2-CD1 3.97Å; T37-H69 PolarHBondContact O-CD2 2.85Å; T37-H69 PolarHBondContact O-NE2 2.87Å
38	A	93.5	Very high	92.8	Very high	3 Å²	3	62 Å²	62	3%	0.025	31%	0.313	C	S	.	.			trans	-63.1	131	178.4	0	0	0	0	0	111.1	L34 P35 K36 E42 V43 S67	L34-A38 HydrophobicContact CB-CB 3.95Å; L34-A38 HydrophobicContact CD1-CB 3.89Å; P35-A38 HydrophobicContact CG-CB 4.49Å; P35-A38 WeakPolarHBondContact O-CB 3.24Å; P35-A38 PolarHBondContact O-N 2.85Å; K36-A38 VanDerWaalsContact C-N 3.29Å; A38-E42 WeakPolarHBondContact CA-OE2 3.48Å; A38-V43 HydrophobicContact CB-CG2 4.26Å; A38-S67 PolarHBondContact O-OG 2.89Å
39	T	94.4	Very high	92.4	Very high	55 Å²	55	59.4 Å²	59.4	34%	0.337	30%	0.296	S	S	.	.			trans	-77.8	159.4	174.2	64.1	0	0	0	0	110.9	T37 E41 E42 V43	T37-T39 PolarHBondContact O-N 2.85Å; T39-E41 PolarHBondContact O-N 2.82Å; T39-E42 WeakPolarHBondContact CB-OE2 3.37Å; T39-E42 PolarHBondContact N-OE2 2.9Å; T39-E42 PolarHBondContact O-N 2.95Å; T39-E42 VanDerWaalsContact OG1-CD 3.31Å; T39-E42 VanDerWaalsContact OG1-CG 3.28Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-N 3.32Å; T39-E42 PolarHBondContact OG1-OE2 2.8Å; T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 3.48Å; T39-V43 VanDerWaalsContact O-N 3.15Å
40	E	95.1	Very high	92.2	Very high	51 Å²	51	58.6 Å²	58.6	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-55.3	-38.9	176	179.8	176.1	104.1	0	0	112	V43 L44 I71 N72 K75	E40-V43 PolarHBondContact O-N 3.46Å; E40-L44 HydrophobicContact CG-CD1 3.94Å; E40-L44 HydrophobicContact CG-CG 4.37Å; E40-L44 VanDerWaalsContact O-CG 3.26Å; E40-L44 WeakPolarHBondContact O-CG 3.43Å; E40-L44 PolarHBondContact O-N 2.98Å; E40-I71 HydrophobicContact CB-CG1 4.37Å; E40-I71 HydrophobicContact CB-CG2 4.3Å; E40-I71 HydrophobicContact CG-CG2 4.2Å; E40-N72 VanDerWaalsContact OE2-CB 3.24Å; E40-N72 WeakPolarHBondContact OE2-CB 3.41Å; E40-N72 PolarHBondContact OE2-N 3.33Å; E40-K75 HydrophobicContact CG-CD 4.49Å; E40-K75 WeakPolarHBondContact OE1-CD 3.43Å; E40-K75 IonicContact OE1-NZ 3.92Å; E40-K75 PolarHBondContact OE1-NZ 3.28Å
41	E	93.2	Very high	92.1	Very high	101 Å²	101	56 Å²	56	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-70.5	-38	-178.3	-166.2	56.2	-143.1	0	0	112.5	T39 V43 L44 H45 R48	T39-E41 PolarHBondContact O-N 2.82Å; E41-V43 VanDerWaalsContact C-N 3.33Å; E41-V43 PolarHBondContact O-N 2.93Å; E41-L44 PolarHBondContact O-N 3.14Å; E41-H45 VanDerWaalsContact O-CB 3.27Å; E41-H45 WeakPolarHBondContact O-CB 3.3Å; E41-H45 PolarHBondContact O-N 2.8Å; E41-R48 IonicContact OE1-CZ 3.8Å; E41-R48 IonicContact OE1-NH1 2.75Å; E41-R48 IonicContact OE1-NH2 3.29Å; E41-R48 PolarHBondContact OE1-NH2 3.05Å
42	E	92.1	Very high	91.6	Very high	105 Å²	105	55.8 Å²	55.8	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-40.6	173.5	-72.3	164.9	143	0	0	111.5	A38 T39 S46	A38-E42 WeakPolarHBondContact CA-OE2 3.48Å; T39-E42 WeakPolarHBondContact CB-OE2 3.37Å; T39-E42 PolarHBondContact N-OE2 2.9Å; T39-E42 PolarHBondContact O-N 2.95Å; T39-E42 VanDerWaalsContact OG1-CD 3.31Å; T39-E42 VanDerWaalsContact OG1-CG 3.28Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-N 3.32Å; T39-E42 PolarHBondContact OG1-OE2 2.8Å; E42-S46 PolarHBondContact O-N 3.23Å
43	V	92.5	Very high	91.2	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-46.6	175.2	-175.6	0	0	0	0	110.9	V5 L34 A38 T39 E40 E41 I47 I71 V76	V5-V43 HydrophobicContact CG2-CG1 4.33Å; V5-V43 HydrophobicContact CG2-CG2 3.91Å; L34-V43 HydrophobicContact CD1-CB 4.34Å; L34-V43 HydrophobicContact CD1-CG2 3.78Å; A38-V43 HydrophobicContact CB-CG2 4.26Å; T39-V43 VanDerWaalsContact O-CG2 3.3Å; T39-V43 WeakPolarHBondContact O-CG2 3.36Å; T39-V43 PolarHBondContact O-N 3.48Å; T39-V43 VanDerWaalsContact O-N 3.15Å; E40-V43 PolarHBondContact O-N 3.46Å; E41-V43 VanDerWaalsContact C-N 3.33Å; E41-V43 PolarHBondContact O-N 2.93Å; V43-I47 HydrophobicContact CG1-CD1 4.11Å; V43-I47 WeakPolarHBondContact O-CG1 3.48Å; V43-I47 PolarHBondContact O-N 3.45Å; V43-I47 VanDerWaalsContact O-N 3.11Å; V43-I71 HydrophobicContact CG2-CD1 4.05Å; V43-V76 HydrophobicContact CG1-CG1 3.75Å; V43-V76 HydrophobicContact CG1-CG2 4.17Å
44	L	93.5	Very high	90.5	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-42.9	180	-70.3	170.9	0	0	0	112.2	E40 E41 S46 I47 R48 K75 V76 A79	E40-L44 HydrophobicContact CG-CD1 3.94Å; E40-L44 HydrophobicContact CG-CG 4.37Å; E40-L44 VanDerWaalsContact O-CG 3.26Å; E40-L44 WeakPolarHBondContact O-CG 3.43Å; E40-L44 PolarHBondContact O-N 2.98Å; E41-L44 PolarHBondContact O-N 3.14Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.93Å; L44-I47 PolarHBondContact O-N 3.08Å; L44-R48 WeakPolarHBondContact O-CG 3.31Å; L44-R48 PolarHBondContact O-N 2.6Å; L44-K75 HydrophobicContact CD1-CD 3.91Å; L44-K75 HydrophobicContact CD1-CG 4.43Å; L44-K75 HydrophobicContact CD2-CG 4.41Å; L44-V76 HydrophobicContact CD2-CG2 4.3Å; L44-A79 HydrophobicContact CD2-CB 3.51Å
45	H	89.4	Confident	90.1	Very high	91 Å²	91	57 Å²	57	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-57.6	-48	178.6	179	69.6	0	0	0	111	E41 I47 R48 E49	E41-H45 VanDerWaalsContact O-CB 3.27Å; E41-H45 WeakPolarHBondContact O-CB 3.3Å; E41-H45 PolarHBondContact O-N 2.8Å; H45-I47 PolarHBondContact O-N 3.46Å; H45-R48 VanDerWaalsContact CA-NH2 3.34Å; H45-R48 WeakPolarHBondContact O-CB 3.31Å; H45-R48 PolarHBondContact O-N 3.44Å; H45-R48 VanDerWaalsContact O-N 3.11Å; H45-E49 IonicContact NE2-OE1 3.87Å; H45-E49 PolarHBondContact O-N 3.25Å; H45-E49 VanDerWaalsContact O-N 3.07Å
46	S	90.8	Very high	90	Very high	15 Å²	15	54.1 Å²	54.1	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-77.8	-24.4	-175.8	-165.6	0	0	0	0	113.7	W3 E42 L44 R48 E49 V50	W3-S46 WeakPolarHBondContact CH2-OG 3.3Å; W3-S46 VanDerWaalsContact CZ2-C 3.5Å; W3-S46 VanDerWaalsContact CZ2-CB 3.5Å; W3-S46 WeakPolarHBondContact CZ2-OG 3.37Å; E42-S46 PolarHBondContact O-N 3.23Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.93Å; S46-R48 VanDerWaalsContact C-N 3.35Å; S46-E49 WeakPolarHBondContact CA-OE2 3.39Å; S46-E49 PolarHBondContact OG-OE2 3.26Å; S46-V50 WeakPolarHBondContact O-CG2 3.35Å; S46-V50 PolarHBondContact O-N 3.17Å
47	I	92.4	Very high	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-42.4	164.3	-69.8	170.6	0	0	0	110.8	W3 V43 L44 H45 V50 N51 L59 V61 V76 A79 V80	W3-I47 HydrophobicContact CD2-CG1 4.3Å; V43-I47 HydrophobicContact CG1-CD1 4.11Å; V43-I47 WeakPolarHBondContact O-CG1 3.48Å; V43-I47 PolarHBondContact O-N 3.45Å; V43-I47 VanDerWaalsContact O-N 3.11Å; L44-I47 PolarHBondContact O-N 3.08Å; H45-I47 PolarHBondContact O-N 3.46Å; I47-V50 PolarHBondContact O-N 2.85Å; I47-N51 VanDerWaalsContact O-CG 3.3Å; I47-N51 PolarHBondContact O-N 2.84Å; I47-N51 PolarHBondContact O-ND2 3.06Å; I47-L59 HydrophobicContact CG2-CD2 4.32Å; I47-V61 HydrophobicContact CD1-CG2 3.97Å; I47-V76 HydrophobicContact CD1-CG1 3.56Å; I47-A79 HydrophobicContact CG2-CB 4.04Å; I47-A79 WeakPolarHBondContact CG2-O 3.46Å; I47-V80 HydrophobicContact CG2-CG2 4.44Å
48	R	88.5	Confident	89.9	Confident	98 Å²	98	48.2 Å²	48.2	37%	0.37	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177.8	-71.8	-178.2	-66.5	-109.9	4.8	112	E41 L44 H45 S46 V50 N51 E52	E41-R48 IonicContact OE1-CZ 3.8Å; E41-R48 IonicContact OE1-NH1 2.75Å; E41-R48 IonicContact OE1-NH2 3.29Å; E41-R48 PolarHBondContact OE1-NH2 3.05Å; L44-R48 WeakPolarHBondContact O-CG 3.31Å; L44-R48 PolarHBondContact O-N 2.6Å; H45-R48 VanDerWaalsContact CA-NH2 3.34Å; H45-R48 WeakPolarHBondContact O-CB 3.31Å; H45-R48 PolarHBondContact O-N 3.44Å; H45-R48 VanDerWaalsContact O-N 3.11Å; S46-R48 VanDerWaalsContact C-N 3.35Å; R48-V50 VanDerWaalsContact C-N 3.26Å; R48-V50 PolarHBondContact O-N 3.24Å; R48-N51 WeakPolarHBondContact O-CB 3.46Å; R48-N51 PolarHBondContact O-N 2.82Å; R48-N51 VanDerWaalsContact O-N 3.17Å; R48-E52 PolarHBondContact O-N 2.9Å
49	E	84.4	Confident	90	Very high	90 Å²	90	48.1 Å²	48.1	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-55.4	-42.2	175.2	-67	178.1	134.5	0	0	111.9	H45 S46 E52 N53	H45-E49 IonicContact NE2-OE1 3.87Å; H45-E49 PolarHBondContact O-N 3.25Å; H45-E49 VanDerWaalsContact O-N 3.07Å; S46-E49 WeakPolarHBondContact CA-OE2 3.39Å; S46-E49 PolarHBondContact OG-OE2 3.26Å; E49-E52 PolarHBondContact O-N 3.01Å; E49-N53 PolarHBondContact O-N 3.48Å
50	V	88.8	Confident	89.9	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-75.8	-32.3	-179.4	-179.4	0	0	0	0	112.3	M1 W3 M32 S46 I47 R48 E52 N53 V56 L59 K84	M1-V50 HydrophobicContact CB-CG1 4.38Å; M1-V50 HydrophobicContact CE-CG1 4.45Å; M1-V50 HydrophobicContact CE-CG2 4.41Å; M1-V50 HydrophobicContact SD-CB 4.1Å; M1-V50 HydrophobicContact SD-CG1 3.5Å; M1-V50 VanDerWaalsContact SD-CG1 3.5Å; M1-V50 HydrophobicContact SD-CG2 3.4Å; M1-V50 WeakPolarHBondContact SD-CG2 3.46Å; W3-V50 HydrophobicContact CZ2-CG2 4.33Å; M32-V50 HydrophobicContact CE-CG2 4.02Å; S46-V50 WeakPolarHBondContact O-CG2 3.35Å; S46-V50 PolarHBondContact O-N 3.17Å; I47-V50 PolarHBondContact O-N 2.85Å; R48-V50 VanDerWaalsContact C-N 3.26Å; R48-V50 PolarHBondContact O-N 3.24Å; V50-E52 PolarHBondContact O-N 3.34Å; V50-N53 PolarHBondContact O-N 2.86Å; V50-V56 HydrophobicContact CG1-CB 4.14Å; V50-V56 HydrophobicContact CG1-CG1 3.76Å; V50-V56 HydrophobicContact CG1-CG2 4.11Å; V50-L59 HydrophobicContact CB-CD1 3.76Å; V50-L59 HydrophobicContact CG1-CD1 3.41Å; V50-L59 VanDerWaalsContact CG1-CD1 3.41Å; V50-K84 PolarHBondContact O-NZ 2.98Å
51	N	90	Very high	89.7	Confident	28 Å²	28	43.9 Å²	43.9	15%	0.15	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-33.1	172.9	-75.4	-24.6	0	0	0	111.8	I47 R48 A79 A81 K84	I47-N51 VanDerWaalsContact O-CG 3.3Å; I47-N51 PolarHBondContact O-N 2.84Å; I47-N51 PolarHBondContact O-ND2 3.06Å; R48-N51 WeakPolarHBondContact O-CB 3.46Å; R48-N51 PolarHBondContact O-N 2.82Å; R48-N51 VanDerWaalsContact O-N 3.17Å; N51-A79 PolarHBondContact ND2-O 3.14Å; N51-A81 HydrophobicContact CB-CB 4.08Å; N51-A81 PolarHBondContact ND2-N 2.96Å; N51-A81 PolarHBondContact OD1-N 2.83Å; N51-K84 VanDerWaalsContact C-NZ 3.29Å; N51-K84 VanDerWaalsContact O-CE 3.23Å; N51-K84 WeakPolarHBondContact O-CE 3.36Å; N51-K84 PolarHBondContact O-NZ 3.5Å
52	E	83.8	Confident	89.6	Confident	63 Å²	63	40.1 Å²	40.1	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-87.1	-14.3	-179.1	-63.1	179.6	-178.5	0	0	113.1	R48 E49 V50 S54 L303 S304	R48-E52 PolarHBondContact O-N 2.9Å; E49-E52 PolarHBondContact O-N 3.01Å; V50-E52 PolarHBondContact O-N 3.34Å; E52-S54 PolarHBondContact O-N 2.88Å; E52-S54 VanDerWaalsContact O-N 3.16Å; E52-L303 HydrophobicContact CB-CD2 4.02Å; E52-S304 WeakPolarHBondContact OE1-CB 3.39Å; E52-S304 PolarHBondContact OE1-OG 2.86Å; E52-S304 WeakPolarHBondContact OE2-CB 3.48Å; E52-S304 PolarHBondContact OE2-N 2.87Å
53	N	83.2	Confident	89.4	Confident	64 Å²	64	37.4 Å²	37.4	34%	0.342	20%	0.198	S	C	.	.			trans	-73.6	107.1	177.3	-172.5	-21.8	0	0	0	112	E49 V50 S55 V56 K84	E49-N53 PolarHBondContact O-N 3.48Å; V50-N53 PolarHBondContact O-N 2.86Å; N53-S55 PolarHBondContact ND2-OG 3.38Å; N53-S55 PolarHBondContact O-N 3.15Å; N53-S55 WeakPolarHBondContact OD1-CB 3.28Å; N53-S55 PolarHBondContact OD1-N 3.03Å; N53-S55 PolarHBondContact OD1-OG 3.16Å; N53-V56 HydrophobicContact CB-CG2 4.19Å; N53-V56 PolarHBondContact O-N 2.81Å; N53-K84 PolarHBondContact O-NZ 3.18Å
54	S	79.6	Confident	89.2	Confident	79 Å²	79	40.1 Å²	40.1	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.9	180	57.7	0	0	0	0	114.8	E52 V56	E52-S54 PolarHBondContact O-N 2.88Å; E52-S54 VanDerWaalsContact O-N 3.16Å; S54-V56 VanDerWaalsContact C-N 3.28Å
55	S	83.9	Confident	89	Confident	83 Å²	83	41.2 Å²	41.2	58%	0.58	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.5	173.6	71.5	0	0	0	0	113.6	N53 H57	N53-S55 PolarHBondContact ND2-OG 3.38Å; N53-S55 PolarHBondContact O-N 3.15Å; N53-S55 WeakPolarHBondContact OD1-CB 3.28Å; N53-S55 PolarHBondContact OD1-N 3.03Å; N53-S55 PolarHBondContact OD1-OG 3.16Å; S55-H57 PolarHBondContact O-ND1 2.89Å
56	V	91.3	Very high	89.1	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.079	21%	0.209	C	C	.	.			trans	-103.6	114.6	-179.1	-179.1	0	0	0	0	109.8	M1 V50 N53 S54 G58 K84	M1-V56 HydrophobicContact CB-CG1 4.1Å; M1-V56 HydrophobicContact CE-CG2 4.38Å; V50-V56 HydrophobicContact CG1-CB 4.14Å; V50-V56 HydrophobicContact CG1-CG1 3.76Å; V50-V56 HydrophobicContact CG1-CG2 4.11Å; N53-V56 HydrophobicContact CB-CG2 4.19Å; N53-V56 PolarHBondContact O-N 2.81Å; S54-V56 VanDerWaalsContact C-N 3.28Å; V56-G58 WeakPolarHBondContact CG1-O 3.44Å; V56-K84 WeakPolarHBondContact O-CD 3.5Å; V56-K84 WeakPolarHBondContact O-CE 3.2Å; V56-K84 PolarHBondContact O-NZ 2.68Å; V56-K84 VanDerWaalsContact O-NZ 3.07Å
57	H	93.4	Very high	89.1	Confident	53 Å²	53	39 Å²	39	25%	0.245	21%	0.213	C	C	.	.			trans	-101	-5.4	-178.8	-52.1	96.8	0	0	0	113.1	S55 S252 A253 F256	S55-H57 PolarHBondContact O-ND1 2.89Å; H57-S252 WeakPolarHBondContact O-CB 3.41Å; H57-S252 PolarHBondContact O-OG 3.32Å; H57-A253 HydrophobicContact CB-CB 3.96Å; H57-F256 AromaticContact CD2-CD1 3.75Å; H57-F256 AromaticContact CD2-CG 3.78Å; H57-F256 AromaticContact NE2-CD1 3.47Å; H57-F256 WeakPolarHBondContact NE2-CD1 3.44Å; H57-F256 AromaticContact NE2-CE1 3.87Å; H57-F256 AromaticContact NE2-CG 3.99Å
58	G	94.7	Very high	89.1	Confident	4 Å²	4	44.5 Å²	44.5	4%	0.041	24%	0.242	C	C	.	.			trans	-154.2	135.6	-179.6	0	0	0	0	0	111.8	M1 V56 K84 V86	M1-G58 PolarHBondContact N-O 2.97Å; V56-G58 WeakPolarHBondContact CG1-O 3.44Å; G58-K84 WeakPolarHBondContact CA-O 3.44Å; G58-V86 VanDerWaalsContact CA-CG1 3.5Å
59	L	94.5	Very high	89.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-130.3	131.6	177.9	-172.3	132.4	0	0	0	110.1	I47 V50 V61 V80 K84	I47-L59 HydrophobicContact CG2-CD2 4.32Å; V50-L59 HydrophobicContact CB-CD1 3.76Å; V50-L59 HydrophobicContact CG1-CD1 3.41Å; V50-L59 VanDerWaalsContact CG1-CD1 3.41Å; L59-V61 HydrophobicContact CD2-CG2 4.14Å; L59-V80 HydrophobicContact CB-CG1 4.01Å; L59-V80 HydrophobicContact CD2-CB 3.91Å; L59-V80 HydrophobicContact CD2-CG1 3.53Å; L59-V80 HydrophobicContact CD2-CG2 3.23Å; L59-V80 HydrophobicContact CG-CG1 4.38Å; L59-K84 PolarHBondContact N-O 3.27Å
60	I	92.3	Very high	89.7	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132	172.9	-113.5	-175.4	0	0	0	109.1	M1 F2 W3 D87 L245	M1-I60 PolarHBondContact O-N 2.83Å; F2-I60 HydrophobicContact CD1-CB 4.18Å; F2-I60 HydrophobicContact CD1-CG2 3.8Å; W3-I60 VanDerWaalsContact CB-O 3.26Å; W3-I60 WeakPolarHBondContact CB-O 3.33Å; W3-I60 PolarHBondContact N-O 3.24Å; I60-D87 HydrophobicContact CD1-CB 3.93Å; I60-D87 HydrophobicContact CG1-CB 3.63Å; I60-L245 HydrophobicContact CD1-CD1 3.34Å; I60-L245 HydrophobicContact CD1-CD2 3.49Å; I60-L245 VanDerWaalsContact CD1-CD2 3.49Å; I60-L245 HydrophobicContact CD1-CG 4.02Å; I60-L245 HydrophobicContact CG1-CD1 4.01Å
61	V	91.9	Very high	89.9	Confident	14 Å²	14	50.2 Å²	50.2	9%	0.085	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.1	166	-179.9	0	0	0	0	107.7	I47 L59 L63 L65 V76 V80	I47-V61 HydrophobicContact CD1-CG2 3.97Å; L59-V61 HydrophobicContact CD2-CG2 4.14Å; V61-L63 HydrophobicContact CG1-CD2 3.95Å; V61-L63 PolarHBondContact O-N 2.82Å; V61-L65 HydrophobicContact CG1-CD2 3.84Å; V61-V76 HydrophobicContact CG1-CG1 3.84Å; V61-V76 HydrophobicContact CG2-CG1 4.24Å; V61-V80 HydrophobicContact CG2-CG2 3.75Å
62	Q	90.6	Very high	90.1	Very high	21 Å²	21	53 Å²	53	10%	0.098	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-73.9	116.9	179.3	-175.7	60.7	54.9	0	0	110	W3 I15	W3-Q62 VanDerWaalsContact O-CB 3.27Å; W3-Q62 WeakPolarHBondContact O-CB 3.25Å; W3-Q62 PolarHBondContact O-N 2.96Å; I15-Q62 HydrophobicContact CD1-CB 4.19Å; I15-Q62 HydrophobicContact CD1-CG 3.99Å; I15-Q62 HydrophobicContact CG1-CG 4.18Å
63	L	88.2	Confident	90.5	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.257	29%	0.286	S	S	.	.	S	Bend	trans	-99.7	151.5	177	-58	-175.1	0	0	0	111.5	V61 L65 T73	V61-L63 HydrophobicContact CG1-CD2 3.95Å; V61-L63 PolarHBondContact O-N 2.82Å; L63-L65 HydrophobicContact CD2-CD2 4.08Å; L63-L65 HydrophobicContact CD2-CG 4.04Å; L63-T73 HydrophobicContact CD1-CG2 3.78Å; L63-T73 HydrophobicContact CD2-CG2 3.35Å; L63-T73 HydrophobicContact CG-CG2 4.19Å
64	P	87.3	Confident	90.8	Very high	59 Å²	59	54.4 Å²	54.4	38%	0.383	29%	0.292	S	S	.	.	S	Bend	cis	-75.7	157.1	-7.1	32.7	-34.8	0	0	0	112.7	D66	P64-D66 PolarHBondContact O-N 2.73Å
65	L	89.8	Confident	91.6	Very high	29 Å²	29	55 Å²	55	15%	0.152	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-76	120.8	175.2	-56.2	177.9	0	0	0	110.1	V5 V61 L63 S67 I71 V76	V5-L65 HydrophobicContact CB-CB 4.44Å; V5-L65 HydrophobicContact CB-CD2 4.3Å; V5-L65 HydrophobicContact CG2-CD2 3.99Å; V61-L65 HydrophobicContact CG1-CD2 3.84Å; L63-L65 HydrophobicContact CD2-CD2 4.08Å; L63-L65 HydrophobicContact CD2-CG 4.04Å; L65-S67 PolarHBondContact O-N 2.77Å; L65-I71 HydrophobicContact CD1-CB 4.19Å; L65-I71 HydrophobicContact CD1-CG2 3.58Å; L65-V76 HydrophobicContact CD1-CB 4.26Å; L65-V76 HydrophobicContact CD1-CG1 4.24Å; L65-V76 HydrophobicContact CD1-CG2 4.19Å
66	D	91.5	Very high	92.1	Very high	30 Å²	30	51 Å²	51	16%	0.16	26%	0.257	C	S	.	.			trans	-97.8	77.6	-179.6	172.9	35	0	0	0	110.2	V5 G6 G7 R8 K36 P64	V5-D66 WeakPolarHBondContact O-CB 3.42Å; V5-D66 PolarHBondContact O-N 3.49Å; V5-D66 VanDerWaalsContact O-N 3.17Å; G6-D66 VanDerWaalsContact CA-O 3.27Å; G6-D66 WeakPolarHBondContact CA-O 3.17Å; G7-D66 PolarHBondContact N-OD2 2.7Å; R8-D66 HydrophobicContact CG-CB 3.78Å; R8-D66 PolarHBondContact N-OD2 2.87Å; K36-D66 WeakPolarHBondContact CE-OD2 3.37Å; K36-D66 IonicContact NZ-OD1 3.42Å; K36-D66 PolarHBondContact NZ-OD1 3.23Å; K36-D66 IonicContact NZ-OD2 3.99Å; K36-D66 PolarHBondContact NZ-OD2 3.38Å; P64-D66 PolarHBondContact O-N 2.73Å
67	S	91.2	Very high	92.1	Very high	28 Å²	28	51.2 Å²	51.2	20%	0.196	26%	0.258	C	S	.	.			trans	-116.7	150.7	178.3	-177.7	0	0	0	0	111.4	K36 A38 L65 H69	K36-S67 WeakPolarHBondContact O-CA 3.49Å; K36-S67 PolarHBondContact O-OG 2.81Å; A38-S67 PolarHBondContact O-OG 2.89Å; L65-S67 PolarHBondContact O-N 2.77Å; S67-H69 WeakPolarHBondContact CB-O 3.47Å; S67-H69 PolarHBondContact OG-N 2.83Å; S67-H69 PolarHBondContact OG-O 3.29Å
68	I	92.6	Very high	92.2	Very high	117 Å²	117	51.3 Å²	51.3	60%	0.6	26%	0.261	S	S	*	.	S	Bend	trans	-74.6	-21.6	168.2	66.2	168.5	0	0	0	111.2	K36 T37	K36-I68 HydrophobicContact CB-CG2 4.24Å; K36-I68 WeakPolarHBondContact O-CG1 3.36Å; K36-I68 PolarHBondContact O-N 3.46Å; T37-I68 HydrophobicContact CG2-CD1 3.97Å
69	H	91.6	Very high	92.2	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.398	27%	0.268	S	S	.	.	S	Bend	trans	-90	146.1	174.4	-60.9	-59.3	0	0	0	110.3	T37 S67 I71	T37-H69 PolarHBondContact O-CD2 2.85Å; T37-H69 PolarHBondContact O-NE2 2.87Å; S67-H69 WeakPolarHBondContact CB-O 3.47Å; S67-H69 PolarHBondContact OG-N 2.83Å; S67-H69 PolarHBondContact OG-O 3.29Å; H69-I71 PolarHBondContact O-N 3.01Å; H69-I71 VanDerWaalsContact O-N 3.15Å
70	K	92.9	Very high	92.3	Very high	210 Å²	210	52.5 Å²	52.5	91%	0.913	27%	0.27	S	S	*	.			trans	-71.7	109.1	171.9	-174.2	179.7	-179.1	-177.9	0	108.8
71	I	93.4	Very high	92.3	Very high	20 Å²	20	52.9 Å²	52.9	10%	0.103	27%	0.273	C	S	.	.			trans	-106	132.8	177.4	-60.4	177.1	0	0	0	109.5	V5 E40 V43 L65 H69 T73 V76	V5-I71 HydrophobicContact CG1-CD1 4.42Å; E40-I71 HydrophobicContact CB-CG1 4.37Å; E40-I71 HydrophobicContact CB-CG2 4.3Å; E40-I71 HydrophobicContact CG-CG2 4.2Å; V43-I71 HydrophobicContact CG2-CD1 4.05Å; L65-I71 HydrophobicContact CD1-CB 4.19Å; L65-I71 HydrophobicContact CD1-CG2 3.58Å; H69-I71 PolarHBondContact O-N 3.01Å; H69-I71 VanDerWaalsContact O-N 3.15Å; I71-T73 PolarHBondContact O-N 3.48Å; I71-T73 VanDerWaalsContact O-N 3.13Å; I71-V76 HydrophobicContact CG2-CG2 3.53Å
72	N	94.6	Very high	92.4	Very high	85 Å²	85	53.7 Å²	53.7	46%	0.455	28%	0.279	S	S	.	.			trans	-74.9	100.7	172.2	-174.5	-25.3	0	0	0	110.3	E40 E74 K75 V76	E40-N72 VanDerWaalsContact OE2-CB 3.24Å; E40-N72 WeakPolarHBondContact OE2-CB 3.41Å; E40-N72 PolarHBondContact OE2-N 3.33Å; N72-E74 PolarHBondContact O-N 2.88Å; N72-E74 WeakPolarHBondContact OD1-CB 3.46Å; N72-E74 PolarHBondContact OD1-N 3.47Å; N72-K75 HydrophobicContact CB-CB 3.86Å; N72-K75 WeakPolarHBondContact O-CB 3.36Å; N72-K75 PolarHBondContact O-N 3.31Å; N72-K75 VanDerWaalsContact O-N 3.17Å; N72-K75 PolarHBondContact OD1-N 2.92Å; N72-K75 VanDerWaalsContact OD1-N 3.09Å; N72-V76 PolarHBondContact O-N 3.01Å
73	T	91.4	Very high	92.5	Very high	55 Å²	55	58.5 Å²	58.5	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-56.6	-35.9	179.2	-53.2	0	0	0	0	113.4	L63 I71 V76 T77	L63-T73 HydrophobicContact CD1-CG2 3.78Å; L63-T73 HydrophobicContact CD2-CG2 3.35Å; L63-T73 HydrophobicContact CG-CG2 4.19Å; I71-T73 PolarHBondContact O-N 3.48Å; I71-T73 VanDerWaalsContact O-N 3.13Å; T73-V76 PolarHBondContact O-N 3.21Å; T73-T77 WeakPolarHBondContact O-CB 3.39Å; T73-T77 PolarHBondContact O-N 2.96Å; T73-T77 PolarHBondContact O-OG1 2.76Å
74	E	91.2	Very high	92.8	Very high	102 Å²	102	57 Å²	57	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-70.6	-40.8	179.8	-176.9	160	-144.1	0	0	111.2	N72 T77 N78 K137	N72-E74 PolarHBondContact O-N 2.88Å; N72-E74 WeakPolarHBondContact OD1-CB 3.46Å; N72-E74 PolarHBondContact OD1-N 3.47Å; E74-T77 PolarHBondContact O-N 3.47Å; E74-N78 WeakPolarHBondContact CG-ND2 3.47Å; E74-N78 WeakPolarHBondContact O-CB 3.03Å; E74-N78 PolarHBondContact O-N 3.22Å; E74-N78 PolarHBondContact O-ND2 3.41Å; E74-K137 VanDerWaalsContact CD-NZ 3.28Å; E74-K137 IonicContact OE1-NZ 2.75Å; E74-K137 PolarHBondContact OE1-NZ 3.13Å; E74-K137 IonicContact OE2-NZ 3.55Å; E74-K137 PolarHBondContact OE2-NZ 2.93Å
75	K	94.4	Very high	93.1	Very high	92 Å²	92	54.4 Å²	54.4	40%	0.4	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-45.2	174.5	-166.6	-170.3	-176.1	-163.3	0	111.3	E40 L44 N72 N78 A79	E40-K75 HydrophobicContact CG-CD 4.49Å; E40-K75 WeakPolarHBondContact OE1-CD 3.43Å; E40-K75 IonicContact OE1-NZ 3.92Å; E40-K75 PolarHBondContact OE1-NZ 3.28Å; L44-K75 HydrophobicContact CD1-CD 3.91Å; L44-K75 HydrophobicContact CD1-CG 4.43Å; L44-K75 HydrophobicContact CD2-CG 4.41Å; N72-K75 HydrophobicContact CB-CB 3.86Å; N72-K75 WeakPolarHBondContact O-CB 3.36Å; N72-K75 PolarHBondContact O-N 3.31Å; N72-K75 VanDerWaalsContact O-N 3.17Å; N72-K75 PolarHBondContact OD1-N 2.92Å; N72-K75 VanDerWaalsContact OD1-N 3.09Å; K75-N78 PolarHBondContact O-N 3Å; K75-A79 PolarHBondContact O-N 3Å; K75-A79 VanDerWaalsContact O-N 3.08Å
76	V	94.4	Very high	93.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-44.2	178.5	174.7	0	0	0	0	111.8	V43 L44 I47 V61 L65 I71 N72 T73 N78 A79	V43-V76 HydrophobicContact CG1-CG1 3.75Å; V43-V76 HydrophobicContact CG1-CG2 4.17Å; L44-V76 HydrophobicContact CD2-CG2 4.3Å; I47-V76 HydrophobicContact CD1-CG1 3.56Å; V61-V76 HydrophobicContact CG1-CG1 3.84Å; V61-V76 HydrophobicContact CG2-CG1 4.24Å; L65-V76 HydrophobicContact CD1-CB 4.26Å; L65-V76 HydrophobicContact CD1-CG1 4.24Å; L65-V76 HydrophobicContact CD1-CG2 4.19Å; I71-V76 HydrophobicContact CG2-CG2 3.53Å; N72-V76 PolarHBondContact O-N 3.01Å; T73-V76 PolarHBondContact O-N 3.21Å; V76-N78 VanDerWaalsContact C-N 3.32Å; V76-N78 PolarHBondContact O-N 3.14Å; V76-A79 WeakPolarHBondContact O-CB 3.38Å; V76-A79 PolarHBondContact O-N 3.41Å; V76-A79 VanDerWaalsContact O-N 3.16Å
77	T	93.1	Very high	93.5	Very high	16 Å²	16	53 Å²	53	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-37.8	178.6	-52.9	0	0	0	0	111.3	T73 E74 A79 V80 L89 T90	T73-T77 WeakPolarHBondContact O-CB 3.39Å; T73-T77 PolarHBondContact O-N 2.96Å; T73-T77 PolarHBondContact O-OG1 2.76Å; E74-T77 PolarHBondContact O-N 3.47Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 3.46Å; T77-V80 WeakPolarHBondContact O-CG2 3.26Å; T77-V80 PolarHBondContact O-N 3.32Å; T77-L89 HydrophobicContact CG2-CB 3.74Å; T77-T90 WeakPolarHBondContact O-CG2 3.38Å
78	N	94.5	Very high	93.6	Very high	55 Å²	55	51.7 Å²	51.7	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-78.4	-7.8	176.3	-75.9	-68.4	0	0	0	114.3	E74 K75 V76 S91	E74-N78 WeakPolarHBondContact CG-ND2 3.47Å; E74-N78 WeakPolarHBondContact O-CB 3.03Å; E74-N78 PolarHBondContact O-N 3.22Å; E74-N78 PolarHBondContact O-ND2 3.41Å; K75-N78 PolarHBondContact O-N 3Å; V76-N78 VanDerWaalsContact C-N 3.32Å; V76-N78 PolarHBondContact O-N 3.14Å; N78-S91 WeakPolarHBondContact OD1-CB 3.38Å; N78-S91 PolarHBondContact OD1-N 3.3Å; N78-S91 PolarHBondContact OD1-OG 3.24Å
79	A	95.1	Very high	93.6	Very high	25 Å²	25	48 Å²	48	21%	0.207	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.6	173.5	0	0	0	0	0	112.2	L44 I47 N51 K75 V76 T77	L44-A79 HydrophobicContact CD2-CB 3.51Å; I47-A79 HydrophobicContact CG2-CB 4.04Å; I47-A79 WeakPolarHBondContact CG2-O 3.46Å; N51-A79 PolarHBondContact ND2-O 3.14Å; K75-A79 PolarHBondContact O-N 3Å; K75-A79 VanDerWaalsContact O-N 3.08Å; V76-A79 WeakPolarHBondContact O-CB 3.38Å; V76-A79 PolarHBondContact O-N 3.41Å; V76-A79 VanDerWaalsContact O-N 3.16Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 3.46Å
80	V	95.5	Very high	93.7	Very high	5 Å²	5	44 Å²	44	3%	0.03	22%	0.223	C	C	.	.	S	Bend	trans	-67.4	130.4	173.9	-174.5	0	0	0	0	109.4	I47 L59 V61 T77 D85 T90	I47-V80 HydrophobicContact CG2-CG2 4.44Å; L59-V80 HydrophobicContact CB-CG1 4.01Å; L59-V80 HydrophobicContact CD2-CB 3.91Å; L59-V80 HydrophobicContact CD2-CG1 3.53Å; L59-V80 HydrophobicContact CD2-CG2 3.23Å; L59-V80 HydrophobicContact CG-CG1 4.38Å; V61-V80 HydrophobicContact CG2-CG2 3.75Å; T77-V80 WeakPolarHBondContact O-CG2 3.26Å; T77-V80 PolarHBondContact O-N 3.32Å; V80-D85 HydrophobicContact CG1-CB 3.95Å; V80-T90 HydrophobicContact CB-CG2 4.08Å; V80-T90 WeakPolarHBondContact O-CG2 3.34Å
81	A	93.4	Very high	93.8	Very high	12 Å²	12	37.7 Å²	37.7	10%	0.099	21%	0.205	C	C	.	.			trans	-59.4	129.7	175.3	0	0	0	0	0	109.7	N51 E83 K84 D85	N51-A81 HydrophobicContact CB-CB 4.08Å; N51-A81 PolarHBondContact ND2-N 2.96Å; N51-A81 PolarHBondContact OD1-N 2.83Å; A81-E83 HydrophobicContact CB-CG 4.28Å; A81-E83 PolarHBondContact O-N 3.23Å; A81-E83 VanDerWaalsContact O-N 3.12Å; A81-K84 HydrophobicContact CB-CB 4.44Å; A81-K84 CarbonylContact O-C 3.59Å; A81-K84 WeakPolarHBondContact O-CA 3.36Å; A81-K84 PolarHBondContact O-N 3.11Å; A81-D85 PolarHBondContact O-N 3.38Å
82	P	93.9	Very high	93.9	Very high	31 Å²	31	40.9 Å²	40.9	20%	0.201	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.3	-34.3	-176.4	-28.2	35.2	0	0	0	114	K84 D85 I92 N93 F106	P82-K84 VanDerWaalsContact C-N 3.26Å; P82-K84 PolarHBondContact O-N 2.89Å; P82-D85 PolarHBondContact O-N 3Å; P82-I92 HydrophobicContact CB-CB 4.11Å; P82-I92 HydrophobicContact CB-CD1 4.44Å; P82-I92 HydrophobicContact CB-CG2 3.78Å; P82-I92 HydrophobicContact CG-CB 3.88Å; P82-I92 HydrophobicContact CG-CD1 3.39Å; P82-I92 HydrophobicContact CG-CG1 4.17Å; P82-I92 HydrophobicContact CG-CG2 3.91Å; P82-N93 PolarHBondContact O-ND2 2.84Å; P82-F106 WeakPolarHBondContact O-CD2 3.28Å
83	E	91.8	Very high	93.9	Very high	123 Å²	123	37 Å²	37	58%	0.575	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-69.7	-18.4	176.3	60.7	-90.1	-152.5	0	0	113.8	A81 F106 S252	A81-E83 HydrophobicContact CB-CG 4.28Å; A81-E83 PolarHBondContact O-N 3.23Å; A81-E83 VanDerWaalsContact O-N 3.12Å; E83-F106 WeakPolarHBondContact O-CE2 3.39Å; E83-S252 PolarHBondContact O-OG 3.48Å
84	K	94.4	Very high	94	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.078	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-110.6	-1.1	176.4	-64.6	-176.1	-178.7	-172.5	0	113.4	V50 N51 N53 V56 G58 L59 A81 P82 V86	V50-K84 PolarHBondContact O-NZ 2.98Å; N51-K84 VanDerWaalsContact C-NZ 3.29Å; N51-K84 VanDerWaalsContact O-CE 3.23Å; N51-K84 WeakPolarHBondContact O-CE 3.36Å; N51-K84 PolarHBondContact O-NZ 3.5Å; N53-K84 PolarHBondContact O-NZ 3.18Å; V56-K84 WeakPolarHBondContact O-CD 3.5Å; V56-K84 WeakPolarHBondContact O-CE 3.2Å; V56-K84 PolarHBondContact O-NZ 2.68Å; V56-K84 VanDerWaalsContact O-NZ 3.07Å; G58-K84 WeakPolarHBondContact CA-O 3.44Å; L59-K84 PolarHBondContact N-O 3.27Å; A81-K84 HydrophobicContact CB-CB 4.44Å; A81-K84 CarbonylContact O-C 3.59Å; A81-K84 WeakPolarHBondContact O-CA 3.36Å; A81-K84 PolarHBondContact O-N 3.11Å; P82-K84 VanDerWaalsContact C-N 3.26Å; P82-K84 PolarHBondContact O-N 2.89Å; K84-V86 PolarHBondContact O-N 3.15Å
85	D	95.4	Very high	94.2	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-76.1	72.3	178.7	171.6	34.3	0	0	0	110.9	V80 A81 P82 D87 G88 L89 T90 N93 F106	V80-D85 HydrophobicContact CG1-CB 3.95Å; A81-D85 PolarHBondContact O-N 3.38Å; P82-D85 PolarHBondContact O-N 3Å; D85-D87 PolarHBondContact O-N 3.39Å; D85-D87 VanDerWaalsContact O-N 3.17Å; D85-G88 PolarHBondContact O-N 2.95Å; D85-G88 PolarHBondContact OD1-N 3.13Å; D85-G88 VanDerWaalsContact OD1-N 3.09Å; D85-G88 VanDerWaalsContact OD2-C 3.27Å; D85-G88 WeakPolarHBondContact OD2-CA 3.29Å; D85-L89 PolarHBondContact OD1-N 3.35Å; D85-L89 VanDerWaalsContact OD1-N 3.1Å; D85-L89 PolarHBondContact OD2-N 3.44Å; D85-T90 HydrophobicContact CB-CG2 3.69Å; D85-T90 VanDerWaalsContact CG-CG2 3.46Å; D85-T90 VanDerWaalsContact OD2-CB 3.25Å; D85-T90 WeakPolarHBondContact OD2-CB 3.39Å; D85-T90 VanDerWaalsContact OD2-CG2 3.24Å; D85-T90 WeakPolarHBondContact OD2-CG2 3.34Å; D85-T90 PolarHBondContact OD2-N 3.45Å; D85-T90 PolarHBondContact OD2-OG1 3.45Å; D85-N93 WeakPolarHBondContact CB-ND2 3.45Å; D85-N93 PolarHBondContact OD2-ND2 2.67Å; D85-F106 WeakPolarHBondContact O-CB 3.33Å
86	V	95.1	Very high	94.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.8	-178.5	-67	0	0	0	0	113.1	G58 K84 C109 L245 N248	G58-V86 VanDerWaalsContact CA-CG1 3.5Å; K84-V86 PolarHBondContact O-N 3.15Å; V86-C109 PolarHBondContact O-SG 3.46Å; V86-L245 HydrophobicContact CB-CD1 4.01Å; V86-L245 HydrophobicContact CG2-CD1 3.47Å; V86-L245 VanDerWaalsContact CG2-CD1 3.47Å; V86-N248 HydrophobicContact CB-CB 4Å; V86-N248 HydrophobicContact CG1-CB 4.41Å; V86-N248 VanDerWaalsContact O-CB 3.23Å; V86-N248 WeakPolarHBondContact O-CB 3.14Å; V86-N248 PolarHBondContact O-ND2 3.4Å
87	D	93.4	Very high	94.3	Very high	26 Å²	26	30.6 Å²	30.6	14%	0.139	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.4	172.7	-145.7	12	0	0	0	113.3	I60 D85 L89 P108 C109	I60-D87 HydrophobicContact CD1-CB 3.93Å; I60-D87 HydrophobicContact CG1-CB 3.63Å; D85-D87 PolarHBondContact O-N 3.39Å; D85-D87 VanDerWaalsContact O-N 3.17Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 HydrophobicContact CB-CD1 4.26Å; D87-L89 HydrophobicContact CB-CG 4.04Å; D87-L89 PolarHBondContact O-N 3.18Å; D87-L89 WeakPolarHBondContact OD2-CD1 3.34Å; D87-P108 VanDerWaalsContact O-CA 3.26Å; D87-P108 WeakPolarHBondContact O-CA 3.42Å; D87-C109 PolarHBondContact OD1-SG 2.94Å
88	G	93.8	Very high	94.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	20%	0.198	C	C	.	.			trans	68.4	21.3	179.1	0	0	0	0	0	114.6	D85 F106 P108	D85-G88 PolarHBondContact O-N 2.95Å; D85-G88 PolarHBondContact OD1-N 3.13Å; D85-G88 VanDerWaalsContact OD1-N 3.09Å; D85-G88 VanDerWaalsContact OD2-C 3.27Å; D85-G88 WeakPolarHBondContact OD2-CA 3.29Å; G88-F106 WeakPolarHBondContact CA-O 3.21Å; G88-P108 WeakPolarHBondContact O-CG 3.45Å
89	L	92.5	Very high	94.5	Very high	39 Å²	39	39 Å²	39	20%	0.204	22%	0.217	C	C	.	.			trans	-94.8	-8.9	-170.5	-62.7	-176.1	0	0	0	114.4	T77 D85 D87	T77-L89 HydrophobicContact CG2-CB 3.74Å; D85-L89 PolarHBondContact OD1-N 3.35Å; D85-L89 VanDerWaalsContact OD1-N 3.1Å; D85-L89 PolarHBondContact OD2-N 3.44Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 HydrophobicContact CB-CD1 4.26Å; D87-L89 HydrophobicContact CB-CG 4.04Å; D87-L89 PolarHBondContact O-N 3.18Å; D87-L89 WeakPolarHBondContact OD2-CD1 3.34Å
90	T	94.6	Very high	94.4	Very high	3 Å²	3	39 Å²	39	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-65.7	149.9	174.6	60.7	0	0	0	0	110.7	T77 V80 D85 I92 N93 A94	T77-T90 WeakPolarHBondContact O-CG2 3.38Å; V80-T90 HydrophobicContact CB-CG2 4.08Å; V80-T90 WeakPolarHBondContact O-CG2 3.34Å; D85-T90 HydrophobicContact CB-CG2 3.69Å; D85-T90 VanDerWaalsContact CG-CG2 3.46Å; D85-T90 VanDerWaalsContact OD2-CB 3.25Å; D85-T90 WeakPolarHBondContact OD2-CB 3.39Å; D85-T90 VanDerWaalsContact OD2-CG2 3.24Å; D85-T90 WeakPolarHBondContact OD2-CG2 3.34Å; D85-T90 PolarHBondContact OD2-N 3.45Å; D85-T90 PolarHBondContact OD2-OG1 3.45Å; T90-I92 PolarHBondContact O-N 2.88Å; T90-N93 PolarHBondContact O-N 3.06Å; T90-N93 PolarHBondContact OG1-N 3.16Å; T90-N93 PolarHBondContact OG1-ND2 3.35Å; T90-A94 VanDerWaalsContact O-CB 3.3Å; T90-A94 WeakPolarHBondContact O-CB 3.48Å; T90-A94 PolarHBondContact O-N 3.34Å
91	S	94.3	Very high	94.3	Very high	76 Å²	76	42.1 Å²	42.1	53%	0.531	24%	0.236	S	C	.	.	H	α-helix	trans	-57.2	-30.2	175	54	0	0	0	0	112.8	N78 G95	N78-S91 WeakPolarHBondContact OD1-CB 3.38Å; N78-S91 PolarHBondContact OD1-N 3.3Å; N78-S91 PolarHBondContact OD1-OG 3.24Å; S91-G95 WeakPolarHBondContact O-CA 3.41Å; S91-G95 PolarHBondContact O-N 3.05Å
92	I	95.3	Very high	94.1	Very high	88 Å²	88	44.1 Å²	44.1	45%	0.451	25%	0.245	S	C	.	.	H	α-helix	trans	-68.2	-54.6	175.9	-68.7	172.9	0	0	0	110.5	P82 T90 G95 K96	P82-I92 HydrophobicContact CB-CB 4.11Å; P82-I92 HydrophobicContact CB-CD1 4.44Å; P82-I92 HydrophobicContact CB-CG2 3.78Å; P82-I92 HydrophobicContact CG-CB 3.88Å; P82-I92 HydrophobicContact CG-CD1 3.39Å; P82-I92 HydrophobicContact CG-CG1 4.17Å; P82-I92 HydrophobicContact CG-CG2 3.91Å; T90-I92 PolarHBondContact O-N 2.88Å; I92-G95 PolarHBondContact O-N 3.01Å; I92-K96 WeakPolarHBondContact O-CG 3.31Å; I92-K96 PolarHBondContact O-N 3.38Å
93	N	95.3	Very high	93.6	Very high	2 Å²	2	46 Å²	46	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-40.2	179.7	-78.7	-46.9	0	0	0	112.5	P82 D85 T90 G95 K96 L97 C105 F106	P82-N93 PolarHBondContact O-ND2 2.84Å; D85-N93 WeakPolarHBondContact CB-ND2 3.45Å; D85-N93 PolarHBondContact OD2-ND2 2.67Å; T90-N93 PolarHBondContact O-N 3.06Å; T90-N93 PolarHBondContact OG1-N 3.16Å; T90-N93 PolarHBondContact OG1-ND2 3.35Å; N93-G95 VanDerWaalsContact C-N 3.32Å; N93-G95 PolarHBondContact O-N 2.8Å; N93-K96 PolarHBondContact O-N 3.47Å; N93-L97 PolarHBondContact O-N 3.43Å; N93-C105 PolarHBondContact O-SG 3.29Å; N93-F106 PolarHBondContact OD1-N 2.75Å
94	A	93.3	Very high	93.4	Very high	38 Å²	38	44.8 Å²	44.8	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-40.2	173.9	0	0	0	0	0	112	T90 L97 S98	T90-A94 VanDerWaalsContact O-CB 3.3Å; T90-A94 WeakPolarHBondContact O-CB 3.48Å; T90-A94 PolarHBondContact O-N 3.34Å; A94-L97 PolarHBondContact O-N 3.15Å; A94-S98 PolarHBondContact O-N 3.26Å
95	G	94.9	Very high	93.2	Very high	30 Å²	30	44.1 Å²	44.1	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-42.5	175.3	0	0	0	0	0	112.9	S91 I92 N93 S98 R99	S91-G95 WeakPolarHBondContact O-CA 3.41Å; S91-G95 PolarHBondContact O-N 3.05Å; I92-G95 PolarHBondContact O-N 3.01Å; N93-G95 VanDerWaalsContact C-N 3.32Å; N93-G95 PolarHBondContact O-N 2.8Å; G95-S98 PolarHBondContact O-N 2.94Å; G95-R99 WeakPolarHBondContact O-CG 3.32Å; G95-R99 PolarHBondContact O-N 3.18Å; G95-R99 VanDerWaalsContact O-N 3.07Å
96	K	95.7	Very high	93.2	Very high	46 Å²	46	44.1 Å²	44.1	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-43.6	174.1	-70.6	-173.3	-169.6	-171.3	0	111.7	I92 N93 R99 G100 D101 D104 C105	I92-K96 WeakPolarHBondContact O-CG 3.31Å; I92-K96 PolarHBondContact O-N 3.38Å; N93-K96 PolarHBondContact O-N 3.47Å; K96-R99 PolarHBondContact O-N 3.49Å; K96-G100 PolarHBondContact O-N 2.88Å; K96-G100 VanDerWaalsContact O-N 3.16Å; K96-D101 HydrophobicContact CB-CB 4.08Å; K96-D101 HydrophobicContact CG-CB 4.49Å; K96-D101 PolarHBondContact O-N 3.24Å; K96-D104 WeakPolarHBondContact CD-O 3.45Å; K96-D104 WeakPolarHBondContact CE-O 3.38Å; K96-D104 PolarHBondContact NZ-O 3.25Å; K96-D104 IonicContact NZ-OD1 3.09Å; K96-D104 PolarHBondContact NZ-OD1 3.29Å; K96-D104 IonicContact NZ-OD2 3.9Å; K96-D104 PolarHBondContact NZ-OD2 2.75Å; K96-C105 HydrophobicContact CB-CB 3.97Å
97	L	95.4	Very high	93.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-49.7	174.9	172.8	60.1	0	0	0	111.4	N93 A94 R99 G100 L102 P108 P142 D145 L146 W149	N93-L97 PolarHBondContact O-N 3.43Å; A94-L97 PolarHBondContact O-N 3.15Å; L97-R99 PolarHBondContact O-N 2.88Å; L97-G100 PolarHBondContact O-N 3.21Å; L97-L102 HydrophobicContact CD1-CD2 3.48Å; L97-L102 VanDerWaalsContact CD1-CD2 3.48Å; L97-P108 HydrophobicContact CD2-CG 4.18Å; L97-P142 HydrophobicContact CD2-CB 3.82Å; L97-D145 HydrophobicContact CD1-CB 4.3Å; L97-D145 HydrophobicContact CD2-CB 4.43Å; L97-D145 HydrophobicContact CG-CB 3.94Å; L97-L146 HydrophobicContact CD1-CB 4.49Å; L97-L146 HydrophobicContact CD1-CD1 4.19Å; L97-W149 VanDerWaalsContact O-CD1 3.29Å; L97-W149 PolarHBondContact O-NE1 3.22Å
98	S	94.9	Very high	93.3	Very high	64 Å²	64	44.4 Å²	44.4	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-33.5	-178.7	-171.2	0	0	0	0	112.4	A94 G95 D145 W149	A94-S98 PolarHBondContact O-N 3.26Å; G95-S98 PolarHBondContact O-N 2.94Å; S98-D145 WeakPolarHBondContact CA-OD2 3.45Å; S98-D145 WeakPolarHBondContact CB-OD2 3.22Å; S98-W149 PolarHBondContact O-NE1 3.43Å
99	R	95.8	Very high	93.4	Very high	184 Å²	184	44.4 Å²	44.4	69%	0.694	27%	0.266	S	S	*	.	H	α-helix	trans	-79.7	-11.1	176.2	-70.3	174.4	59	94	7.3	115	G95 K96 L97 D101 W149	G95-R99 WeakPolarHBondContact O-CG 3.32Å; G95-R99 PolarHBondContact O-N 3.18Å; G95-R99 VanDerWaalsContact O-N 3.07Å; K96-R99 PolarHBondContact O-N 3.49Å; L97-R99 PolarHBondContact O-N 2.88Å; R99-D101 IonicContact NE-OD2 2.84Å; R99-D101 PolarHBondContact NE-OD2 3.35Å; R99-W149 VanDerWaalsContact C-CZ2 3.41Å; R99-W149 WeakPolarHBondContact O-CZ2 3.46Å
100	G	93.2	Very high	93.4	Very high	24 Å²	24	43.6 Å²	43.6	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	13.5	-177.2	0	0	0	0	0	114.6	K96 L97 L102 W149	K96-G100 PolarHBondContact O-N 2.88Å; K96-G100 VanDerWaalsContact O-N 3.16Å; L97-G100 PolarHBondContact O-N 3.21Å; G100-L102 PolarHBondContact O-N 2.99Å; G100-W149 VanDerWaalsContact N-CE2 3.35Å
101	D	93.4	Very high	93.5	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	26%	0.261	S	S	.	.			trans	-78.3	48.8	179	-61.7	-40.4	0	0	0	111.1	K96 R99 G103 D104 C105	K96-D101 HydrophobicContact CB-CB 4.08Å; K96-D101 HydrophobicContact CG-CB 4.49Å; K96-D101 PolarHBondContact O-N 3.24Å; R99-D101 IonicContact NE-OD2 2.84Å; R99-D101 PolarHBondContact NE-OD2 3.35Å; D101-G103 PolarHBondContact O-N 3.02Å; D101-G103 VanDerWaalsContact O-N 3.15Å; D101-D104 PolarHBondContact O-N 3.01Å; D101-D104 VanDerWaalsContact O-N 3.13Å; D101-C105 WeakPolarHBondContact O-CB 3.47Å; D101-C105 PolarHBondContact O-N 3.07Å
102	L	89.8	Confident	93.6	Very high	55 Å²	55	41.6 Å²	41.6	29%	0.288	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.8	-27.8	-169.8	-60.7	-176.6	0	0	0	113.7	L97 G100 D104 L146 W149	L97-L102 HydrophobicContact CD1-CD2 3.48Å; L97-L102 VanDerWaalsContact CD1-CD2 3.48Å; G100-L102 PolarHBondContact O-N 2.99Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.16Å; L102-L146 HydrophobicContact CD2-CD1 4.46Å; L102-W149 HydrophobicContact CD1-CB 3.93Å
103	G	84.6	Confident	93.6	Very high	71 Å²	71	37.4 Å²	37.4	73%	0.732	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-69.9	-26	178.9	0	0	0	0	0	114.4	D101 R255	D101-G103 PolarHBondContact O-N 3.02Å; D101-G103 VanDerWaalsContact O-N 3.15Å; G103-R255 PolarHBondContact O-NH2 3.36Å
104	D	85.5	Confident	93.7	Very high	97 Å²	97	37.3 Å²	37.3	52%	0.519	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-118.3	21.6	-178.5	-172.8	31.8	0	0	0	111.9	K96 D101 L102	K96-D104 WeakPolarHBondContact CD-O 3.45Å; K96-D104 WeakPolarHBondContact CE-O 3.38Å; K96-D104 PolarHBondContact NZ-O 3.25Å; K96-D104 IonicContact NZ-OD1 3.09Å; K96-D104 PolarHBondContact NZ-OD1 3.29Å; K96-D104 IonicContact NZ-OD2 3.9Å; K96-D104 PolarHBondContact NZ-OD2 2.75Å; D101-D104 PolarHBondContact O-N 3.01Å; D101-D104 VanDerWaalsContact O-N 3.13Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.16Å
105	C	91.7	Very high	93.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.02	21%	0.214	C	C	.	.			trans	-111.4	148.1	179.8	-179.7	0	0	0	0	110.1	N93 K96 D101 R255	N93-C105 PolarHBondContact O-SG 3.29Å; K96-C105 HydrophobicContact CB-CB 3.97Å; D101-C105 WeakPolarHBondContact O-CB 3.47Å; D101-C105 PolarHBondContact O-N 3.07Å; C105-R255 PolarHBondContact O-NH1 2.94Å; C105-R255 PolarHBondContact O-NH2 3.17Å; C105-R255 VanDerWaalsContact O-NH2 3.16Å
106	F	95.1	Very high	93.9	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.022	21%	0.209	C	C	.	.			trans	-91.7	109.8	154.8	-73	-74.9	0	0	0	108.8	P82 E83 D85 G88 N93 N248 L251	P82-F106 WeakPolarHBondContact O-CD2 3.28Å; E83-F106 WeakPolarHBondContact O-CE2 3.39Å; D85-F106 WeakPolarHBondContact O-CB 3.33Å; G88-F106 WeakPolarHBondContact CA-O 3.21Å; N93-F106 PolarHBondContact OD1-N 2.75Å; F106-N248 HydrophobicContact CD1-CB 4.05Å; F106-N248 WeakPolarHBondContact CE1-O 3.1Å; F106-L251 HydrophobicContact CD1-CD2 4.29Å; F106-L251 HydrophobicContact CE1-CB 4.28Å; F106-L251 HydrophobicContact CE1-CD2 4.1Å; F106-L251 HydrophobicContact CE1-CG 4.1Å
107	I	95.4	Very high	93.9	Very high	32 Å²	32	36.8 Å²	36.8	16%	0.164	21%	0.209	C	C	.	.			trans	-68.4	132.3	-179.7	-56.2	174.6	0	0	0	108.3	C109 N112 L146 N248	I107-C109 PolarHBondContact O-N 3.41Å; I107-N112 HydrophobicContact CB-CB 4.36Å; I107-N112 HydrophobicContact CG2-CB 3.8Å; I107-L146 HydrophobicContact CD1-CD1 4.14Å; I107-L146 HydrophobicContact CG2-CD1 4.02Å; I107-L146 HydrophobicContact CG2-CD2 3.73Å; I107-N248 PolarHBondContact O-ND2 3.5Å
108	P	95.4	Very high	94	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.013	21%	0.209	C	C	.	.			trans	-58.9	136	-178.7	-23.2	32.8	0	0	0	112.3	D87 G88 L97 T110 P111 N112 P142	D87-P108 VanDerWaalsContact O-CA 3.26Å; D87-P108 WeakPolarHBondContact O-CA 3.42Å; G88-P108 WeakPolarHBondContact O-CG 3.45Å; L97-P108 HydrophobicContact CD2-CG 4.18Å; P108-T110 VanDerWaalsContact C-N 3.34Å; P108-T110 PolarHBondContact O-N 2.86Å; P108-P111 HydrophobicContact CB-CG 4.02Å; P108-P111 VanDerWaalsContact O-CD 3.3Å; P108-P111 WeakPolarHBondContact O-CD 3.3Å; P108-N112 WeakPolarHBondContact O-CB 3.46Å; P108-N112 PolarHBondContact O-N 3.48Å; P108-P142 HydrophobicContact CB-CB 4.46Å; P108-P142 HydrophobicContact CG-CB 3.98Å; P108-P142 HydrophobicContact CG-CG 4.26Å
109	C	95.1	Very high	94	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-42.1	-164.9	-62.6	0	0	0	0	113.5	V86 D87 I107 N112 G113 T241 M244 L245	V86-C109 PolarHBondContact O-SG 3.46Å; D87-C109 PolarHBondContact OD1-SG 2.94Å; I107-C109 PolarHBondContact O-N 3.41Å; C109-N112 PolarHBondContact O-N 3.39Å; C109-G113 PolarHBondContact O-N 2.98Å; C109-T241 HydrophobicContact CB-CG2 3.72Å; C109-M244 HydrophobicContact CB-CB 4.08Å; C109-L245 WeakPolarHBondContact SG-CA 3.36Å
110	T	93.8	Very high	94	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.135	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-52.7	-176.8	-59	0	0	0	0	112.2	P108 N112 G113 C114 V139 V237 T241	P108-T110 VanDerWaalsContact C-N 3.34Å; P108-T110 PolarHBondContact O-N 2.86Å; T110-N112 VanDerWaalsContact C-N 3.3Å; T110-N112 PolarHBondContact O-N 3.18Å; T110-G113 PolarHBondContact O-N 3.11Å; T110-G113 VanDerWaalsContact O-N 3.15Å; T110-C114 PolarHBondContact O-N 3.36Å; T110-C114 PolarHBondContact O-SG 3.49Å; T110-V139 HydrophobicContact CG2-CG1 4.43Å; T110-V139 HydrophobicContact CG2-CG2 3.54Å; T110-V237 HydrophobicContact CG2-CG1 3.65Å; T110-T241 WeakPolarHBondContact OG1-CG2 3.34Å; T110-T241 PolarHBondContact OG1-OG1 3.35Å
111	P	95.6	Very high	94.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.2	-42.5	170.2	-25.1	29.3	0	0	0	113.9	P108 G113 C114 M115 I138 P142 M143 L146	P108-P111 HydrophobicContact CB-CG 4.02Å; P108-P111 VanDerWaalsContact O-CD 3.3Å; P108-P111 WeakPolarHBondContact O-CD 3.3Å; P111-G113 VanDerWaalsContact C-N 3.3Å; P111-G113 PolarHBondContact O-N 3.24Å; P111-C114 WeakPolarHBondContact O-CB 3.32Å; P111-C114 PolarHBondContact O-N 3.24Å; P111-C114 VanDerWaalsContact O-N 3.14Å; P111-M115 PolarHBondContact O-N 3.11Å; P111-I138 WeakPolarHBondContact CD-O 3.45Å; P111-P142 HydrophobicContact CB-CB 4.31Å; P111-P142 HydrophobicContact CG-CB 3.57Å; P111-P142 HydrophobicContact CG-CG 4.49Å; P111-M143 HydrophobicContact CB-CB 4.41Å; P111-M143 HydrophobicContact CB-SD 4.03Å; P111-L146 HydrophobicContact CB-CD2 4.02Å
112	N	95.9	Very high	94.1	Very high	37 Å²	37	38.4 Å²	38.4	20%	0.198	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-39	178.3	-161.1	20.4	0	0	0	111.4	I107 P108 C109 T110 C114 M115 E116 M244	I107-N112 HydrophobicContact CB-CB 4.36Å; I107-N112 HydrophobicContact CG2-CB 3.8Å; P108-N112 WeakPolarHBondContact O-CB 3.46Å; P108-N112 PolarHBondContact O-N 3.48Å; C109-N112 PolarHBondContact O-N 3.39Å; T110-N112 VanDerWaalsContact C-N 3.3Å; T110-N112 PolarHBondContact O-N 3.18Å; N112-C114 VanDerWaalsContact C-N 3.3Å; N112-C114 PolarHBondContact O-N 2.99Å; N112-M115 PolarHBondContact O-N 3.34Å; N112-E116 PolarHBondContact O-N 3.28Å; N112-M244 HydrophobicContact CB-CB 4.36Å; N112-M244 HydrophobicContact CB-CG 3.95Å; N112-M244 HydrophobicContact CB-SD 4.19Å; N112-M244 PolarHBondContact ND2-SD 3.49Å; N112-M244 VanDerWaalsContact ND2-SD 3.41Å
113	G	96.3	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-36.3	174	0	0	0	0	0	112.4	C109 T110 P111 E116 L117	C109-G113 PolarHBondContact O-N 2.98Å; T110-G113 PolarHBondContact O-N 3.11Å; T110-G113 VanDerWaalsContact O-N 3.15Å; P111-G113 VanDerWaalsContact C-N 3.3Å; P111-G113 PolarHBondContact O-N 3.24Å; G113-E116 PolarHBondContact O-N 2.87Å; G113-L117 VanDerWaalsContact O-CG 3.3Å; G113-L117 WeakPolarHBondContact O-CG 3.07Å; G113-L117 PolarHBondContact O-N 3.46Å
114	C	96.8	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-45	173.5	-59.1	0	0	0	0	111.5	T110 P111 N112 E116 L117 I118 M143 I196 C198	T110-C114 PolarHBondContact O-N 3.36Å; T110-C114 PolarHBondContact O-SG 3.49Å; P111-C114 WeakPolarHBondContact O-CB 3.32Å; P111-C114 PolarHBondContact O-N 3.24Å; P111-C114 VanDerWaalsContact O-N 3.14Å; N112-C114 VanDerWaalsContact C-N 3.3Å; N112-C114 PolarHBondContact O-N 2.99Å; C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 PolarHBondContact O-N 3.45Å; C114-L117 PolarHBondContact O-N 3.41Å; C114-I118 WeakPolarHBondContact O-CD1 3.33Å; C114-I118 VanDerWaalsContact O-CG1 3.26Å; C114-I118 WeakPolarHBondContact O-CG1 3.45Å; C114-I118 PolarHBondContact O-N 3.17Å; C114-M143 HydrophobicContact CB-CE 3.98Å; C114-M143 HydrophobicContact CB-SD 3.56Å; C114-M143 VanDerWaalsContact CB-SD 3.56Å; C114-I196 HydrophobicContact CB-CG2 3.95Å; C114-I196 VanDerWaalsContact SG-CG2 3.59Å; C114-C198 PolarHBondContact SG-SG 2.79Å
115	M	96.6	Very high	95.3	Very high	22 Å²	22	34.4 Å²	34.4	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-42.2	176.4	-72.6	-61.4	-67.4	0	0	112	P111 N112 I118 R119 V125 M143 L146 L147 N150	P111-M115 PolarHBondContact O-N 3.11Å; N112-M115 PolarHBondContact O-N 3.34Å; M115-I118 PolarHBondContact O-N 3.15Å; M115-I118 HydrophobicContact SD-CD1 4.37Å; M115-R119 WeakPolarHBondContact O-CB 3.36Å; M115-R119 PolarHBondContact O-N 2.86Å; M115-V125 HydrophobicContact CE-CG2 4.08Å; M115-M143 HydrophobicContact CG-CE 3.81Å; M115-M143 HydrophobicContact SD-CE 3.46Å; M115-M143 WeakPolarHBondContact SD-CE 3.28Å; M115-L146 HydrophobicContact CB-CD2 4.32Å; M115-L146 HydrophobicContact CG-CD2 3.31Å; M115-L146 HydrophobicContact CG-CG 3.7Å; M115-L146 HydrophobicContact SD-CD2 4.48Å; M115-L146 HydrophobicContact SD-CG 4.33Å; M115-L147 HydrophobicContact SD-CD2 3.8Å; M115-L147 HydrophobicContact SD-CG 4.31Å; M115-N150 HydrophobicContact CE-CB 3.84Å
116	E	96.3	Very high	95.6	Very high	44 Å²	44	36.7 Å²	36.7	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-43	176.7	-178.7	54.6	-155.5	0	0	111.3	N112 G113 C114 I118 R119 Q120 M240	N112-E116 PolarHBondContact O-N 3.28Å; G113-E116 PolarHBondContact O-N 2.87Å; C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 PolarHBondContact O-N 3.45Å; E116-I118 PolarHBondContact O-N 3.48Å; E116-R119 WeakPolarHBondContact O-CB 3.41Å; E116-R119 PolarHBondContact O-N 2.94Å; E116-R119 IonicContact OE1-CZ 2.9Å; E116-R119 IonicContact OE1-NE 3.45Å; E116-R119 PolarHBondContact OE1-NE 3.4Å; E116-R119 IonicContact OE1-NH2 2.8Å; E116-R119 PolarHBondContact OE1-NH2 3.2Å; E116-R119 IonicContact OE2-CZ 3.93Å; E116-R119 IonicContact OE2-NE 3.5Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.47Å; E116-R119 PolarHBondContact OE2-NH2 3.42Å; E116-Q120 VanDerWaalsContact O-CG 3.28Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.48Å; E116-Q120 PolarHBondContact OE1-NE2 3.31Å; E116-M240 HydrophobicContact CB-CE 3.87Å; E116-M240 HydrophobicContact CG-CE 3.41Å; E116-M240 VanDerWaalsContact CG-CE 3.41Å
117	L	96.3	Very high	95.6	Very high	38 Å²	38	39.5 Å²	39.5	20%	0.199	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-42.6	174.5	-71.9	167	0	0	0	112.3	G113 C114 R119 Q120 T121 I196 T231 V237 M240	G113-L117 VanDerWaalsContact O-CG 3.3Å; G113-L117 WeakPolarHBondContact O-CG 3.07Å; G113-L117 PolarHBondContact O-N 3.46Å; C114-L117 PolarHBondContact O-N 3.41Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.86Å; L117-Q120 PolarHBondContact O-N 3.29Å; L117-T121 WeakPolarHBondContact O-CG2 3.36Å; L117-T121 PolarHBondContact O-N 3.46Å; L117-I196 HydrophobicContact CB-CD1 3.92Å; L117-T231 HydrophobicContact CD1-CG2 3.86Å; L117-V237 HydrophobicContact CD1-CG2 4.2Å; L117-M240 HydrophobicContact CD1-CB 4.41Å; L117-M240 HydrophobicContact CD1-CG 3.91Å; L117-M240 HydrophobicContact CD2-CG 3.88Å; L117-M240 HydrophobicContact CD2-SD 4.49Å; L117-M240 HydrophobicContact CG-CG 3.83Å
118	I	96.9	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-45.1	174.6	-67.2	159.5	0	0	0	109.9	C114 M115 E116 Q120 T121 L123 V125 M143 L147 I173 V194 I196	C114-I118 WeakPolarHBondContact O-CD1 3.33Å; C114-I118 VanDerWaalsContact O-CG1 3.26Å; C114-I118 WeakPolarHBondContact O-CG1 3.45Å; C114-I118 PolarHBondContact O-N 3.17Å; M115-I118 PolarHBondContact O-N 3.15Å; M115-I118 HydrophobicContact SD-CD1 4.37Å; E116-I118 PolarHBondContact O-N 3.48Å; I118-Q120 VanDerWaalsContact C-N 3.29Å; I118-Q120 PolarHBondContact O-N 3.08Å; I118-T121 WeakPolarHBondContact O-CB 3.4Å; I118-T121 PolarHBondContact O-N 3.49Å; I118-T121 PolarHBondContact O-OG1 3.43Å; I118-L123 HydrophobicContact CG2-CD2 4.32Å; I118-V125 HydrophobicContact CG2-CG2 3.83Å; I118-M143 HydrophobicContact CD1-CE 4.13Å; I118-L147 HydrophobicContact CD1-CD2 4.46Å; I118-I173 HydrophobicContact CD1-CG2 3.61Å; I118-I173 HydrophobicContact CG1-CG2 4.19Å; I118-I173 HydrophobicContact CG2-CD1 4.22Å; I118-V194 HydrophobicContact CG1-CG1 4.05Å; I118-I196 HydrophobicContact CD1-CG1 4.28Å; I118-I196 HydrophobicContact CG1-CD1 4.14Å; I118-I196 HydrophobicContact CG1-CG1 3.93Å
119	R	95.6	Very high	95.9	Very high	152 Å²	152	47 Å²	47	57%	0.574	27%	0.269	S	S	*	.	H	α-helix	trans	-58.6	-40.3	178.3	-167.2	-175.4	72.4	80.4	-0.9	112.2	M115 E116 L117 T121 G122	M115-R119 WeakPolarHBondContact O-CB 3.36Å; M115-R119 PolarHBondContact O-N 2.86Å; E116-R119 WeakPolarHBondContact O-CB 3.41Å; E116-R119 PolarHBondContact O-N 2.94Å; E116-R119 IonicContact OE1-CZ 2.9Å; E116-R119 IonicContact OE1-NE 3.45Å; E116-R119 PolarHBondContact OE1-NE 3.4Å; E116-R119 IonicContact OE1-NH2 2.8Å; E116-R119 PolarHBondContact OE1-NH2 3.2Å; E116-R119 IonicContact OE2-CZ 3.93Å; E116-R119 IonicContact OE2-NE 3.5Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.47Å; E116-R119 PolarHBondContact OE2-NH2 3.42Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.86Å; R119-T121 PolarHBondContact O-N 3.27Å; R119-G122 PolarHBondContact O-N 2.9Å; R119-G122 VanDerWaalsContact O-N 3.08Å
120	Q	95.4	Very high	96.1	Very high	128 Å²	128	47 Å²	47	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-18.5	178.2	-66.2	-69.9	-17.5	0	0	113.5	E116 L117 I118 G122	E116-Q120 VanDerWaalsContact O-CG 3.28Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.48Å; E116-Q120 PolarHBondContact OE1-NE2 3.31Å; L117-Q120 PolarHBondContact O-N 3.29Å; I118-Q120 VanDerWaalsContact C-N 3.29Å; I118-Q120 PolarHBondContact O-N 3.08Å; Q120-G122 VanDerWaalsContact C-N 3.25Å; Q120-G122 PolarHBondContact O-N 3.34Å
121	T	95.8	Very high	96.3	Very high	26 Å²	26	46 Å²	46	16%	0.16	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.3	173.3	73	0	0	0	0	113.5	L117 I118 R119 L123 V194 F229	L117-T121 WeakPolarHBondContact O-CG2 3.36Å; L117-T121 PolarHBondContact O-N 3.46Å; I118-T121 WeakPolarHBondContact O-CB 3.4Å; I118-T121 PolarHBondContact O-N 3.49Å; I118-T121 PolarHBondContact O-OG1 3.43Å; R119-T121 PolarHBondContact O-N 3.27Å; T121-L123 PolarHBondContact O-N 3.23Å; T121-L123 WeakPolarHBondContact OG1-CB 3.1Å; T121-L123 PolarHBondContact OG1-N 2.97Å; T121-V194 HydrophobicContact CG2-CG1 3.98Å; T121-V194 HydrophobicContact CG2-CG2 4.05Å; T121-F229 HydrophobicContact CG2-CB 3.85Å; T121-F229 HydrophobicContact CG2-CD1 3.82Å; T121-F229 HydrophobicContact CG2-CD2 3.69Å; T121-F229 HydrophobicContact CG2-CE1 4.28Å; T121-F229 HydrophobicContact CG2-CE2 4.17Å; T121-F229 HydrophobicContact CG2-CG 3.5Å; T121-F229 VanDerWaalsContact CG2-CG 3.5Å; T121-F229 HydrophobicContact CG2-CZ 4.44Å
122	G	93.4	Very high	96.4	Very high	71 Å²	71	46.1 Å²	46.1	73%	0.732	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-0.2	-172.5	0	0	0	0	0	114.6	R119 Q120	R119-G122 PolarHBondContact O-N 2.9Å; R119-G122 VanDerWaalsContact O-N 3.08Å; Q120-G122 VanDerWaalsContact C-N 3.25Å; Q120-G122 PolarHBondContact O-N 3.34Å
123	L	93.8	Very high	96.5	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	26%	0.255	C	S	.	.			trans	-75.1	125	176.4	-176.8	142.8	0	0	0	111.1	I118 T121 K128 I173 V194	I118-L123 HydrophobicContact CG2-CD2 4.32Å; T121-L123 PolarHBondContact O-N 3.23Å; T121-L123 WeakPolarHBondContact OG1-CB 3.1Å; T121-L123 PolarHBondContact OG1-N 2.97Å; L123-K128 HydrophobicContact CD2-CG 4.18Å; L123-I173 HydrophobicContact CD2-CD1 3.6Å; L123-I173 HydrophobicContact CD2-CG1 3.65Å; L123-V194 HydrophobicContact CB-CG2 4.24Å; L123-V194 HydrophobicContact CD1-CG2 3.87Å
124	S	94.4	Very high	96.3	Very high	80 Å²	80	44.6 Å²	44.6	56%	0.559	26%	0.256	S	S	*	.			trans	-74	127.4	170.8	-179.1	0	0	0	0	110.6	K128	S124-K128 WeakPolarHBondContact O-CG 3.3Å
125	V	97.1	Very high	96.1	Very high	17 Å²	17	52.5 Å²	52.5	10%	0.103	29%	0.286	C	S	.	.			trans	-72.3	-33.8	179.4	178.3	0	0	0	0	111.8	M115 I118 G127 K128 L147 N150 A152 I173	M115-V125 HydrophobicContact CE-CG2 4.08Å; I118-V125 HydrophobicContact CG2-CG2 3.83Å; V125-G127 PolarHBondContact O-N 3.42Å; V125-K128 WeakPolarHBondContact O-CB 3.46Å; V125-K128 PolarHBondContact O-N 3.45Å; V125-K128 VanDerWaalsContact O-N 3.11Å; V125-L147 HydrophobicContact CG1-CD2 3.92Å; V125-N150 HydrophobicContact CB-CB 4.46Å; V125-N150 HydrophobicContact CG1-CB 3.91Å; V125-A152 HydrophobicContact CG1-CB 3.88Å; V125-I173 HydrophobicContact CB-CD1 4.35Å; V125-I173 HydrophobicContact CG1-CD1 4.19Å; V125-I173 HydrophobicContact CG2-CD1 4.04Å
126	A	97.6	Very high	95.8	Very high	51 Å²	51	53.7 Å²	53.7	42%	0.421	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	129.1	-175.6	0	0	0	0	0	111.8	K128 H151	A126-K128 PolarHBondContact O-N 2.9Å; A126-H151 HydrophobicContact CB-CB 4.01Å
127	G	95.4	Very high	95.4	Very high	65 Å²	65	58.6 Å²	58.6	67%	0.67	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	0.8	-179.6	0	0	0	0	0	115.2	V125 H151	V125-G127 PolarHBondContact O-N 3.42Å; G127-H151 PolarHBondContact N-O 3.31Å
128	K	98	Very high	94.9	Very high	75 Å²	75	60.7 Å²	60.7	33%	0.326	33%	0.328	S	S	.	.			trans	-83.2	155	177.3	-64	-61.5	-174.7	-178.7	0	112.3	L123 S124 V125 A126 A152 T153 D172 I173	L123-K128 HydrophobicContact CD2-CG 4.18Å; S124-K128 WeakPolarHBondContact O-CG 3.3Å; V125-K128 WeakPolarHBondContact O-CB 3.46Å; V125-K128 PolarHBondContact O-N 3.45Å; V125-K128 VanDerWaalsContact O-N 3.11Å; A126-K128 PolarHBondContact O-N 2.9Å; K128-A152 WeakPolarHBondContact O-CA 3.4Å; K128-T153 PolarHBondContact O-N 3.42Å; K128-D172 HydrophobicContact CB-CB 4.07Å; K128-D172 HydrophobicContact CD-CB 4Å; K128-D172 HydrophobicContact CG-CB 4.4Å; K128-I173 HydrophobicContact CB-CD1 4.26Å
129	R	98.4	Very high	94.5	Very high	116 Å²	116	61.5 Å²	61.5	44%	0.438	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.8	170	-62.6	-176.8	72.6	114.9	2.9	109	T153 D172 I173	R129-T153 WeakPolarHBondContact CA-O 3.16Å; R129-D172 PolarHBondContact N-OD2 2.81Å; R129-D172 PolarHBondContact O-N 3.36Å; R129-I173 PolarHBondContact O-N 2.91Å
130	A	98.4	Very high	94.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.7	176.7	0	0	0	0	0	110.8	L147 A152 T153 V154 T155 I173	A130-L147 HydrophobicContact CB-CB 4.44Å; A130-L147 HydrophobicContact CB-CD1 3.72Å; A130-L147 HydrophobicContact CB-CD2 4.16Å; A130-L147 HydrophobicContact CB-CG 4.33Å; A130-A152 HydrophobicContact CB-CB 4.1Å; A130-T153 PolarHBondContact N-O 2.95Å; A130-V154 CarbonylContact O-C 3.56Å; A130-V154 WeakPolarHBondContact O-CA 3.42Å; A130-T155 PolarHBondContact O-N 3.1Å; A130-I173 CarbonylContact C-O 3.56Å; A130-I173 VanDerWaalsContact CA-O 3.25Å; A130-I173 WeakPolarHBondContact CA-O 3.47Å; A130-I173 HydrophobicContact CB-CB 4.05Å
131	V	98.5	Very high	94.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.3	174.9	175.9	0	0	0	0	108.8	I133 T155 E167 A171 I173 L174 V175	V131-I133 HydrophobicContact CG1-CG1 4.18Å; V131-T155 WeakPolarHBondContact CA-O 3.43Å; V131-E167 WeakPolarHBondContact CG2-O 3.14Å; V131-A171 HydrophobicContact CB-CB 3.77Å; V131-A171 HydrophobicContact CG2-CB 3.6Å; V131-I173 PolarHBondContact N-O 2.94Å; V131-L174 HydrophobicContact CB-CD1 4.01Å; V131-L174 HydrophobicContact CG1-CD1 4Å; V131-L174 WeakPolarHBondContact O-CA 3.34Å; V131-V175 PolarHBondContact O-N 3.07Å
132	V	98.3	Very high	94.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.2	176.3	-177.6	0	0	0	0	108.5	M143 L147 V154 T155 T156 C157 V175	V132-M143 HydrophobicContact CG1-CB 4.2Å; V132-M143 HydrophobicContact CG1-CG 4.49Å; V132-M143 HydrophobicContact CG2-CB 4.37Å; V132-M143 HydrophobicContact CG2-CG 4.05Å; V132-L147 HydrophobicContact CG2-CD1 3.62Å; V132-V154 HydrophobicContact CG2-CG1 4.05Å; V132-T155 PolarHBondContact N-O 2.78Å; V132-T156 CarbonylContact O-C 3.53Å; V132-T156 WeakPolarHBondContact O-CA 3.49Å; V132-C157 PolarHBondContact O-N 3.2Å; V132-V175 CarbonylContact C-O 3.56Å; V132-V175 WeakPolarHBondContact CA-O 3.49Å
133	I	97	Very high	94.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.6	176.6	-55.5	-177.6	0	0	0	108.9	V131 C157 L164 V168 L174 V175 V176 G177 M178 V184	V131-I133 HydrophobicContact CG1-CG1 4.18Å; I133-C157 HydrophobicContact CG1-CB 4.29Å; I133-L164 HydrophobicContact CD1-CD1 4.25Å; I133-L164 HydrophobicContact CG1-CD1 4.38Å; I133-V168 HydrophobicContact CD1-CG2 3.59Å; I133-V168 HydrophobicContact CG1-CG2 4.45Å; I133-L174 HydrophobicContact CD1-CD1 4Å; I133-L174 HydrophobicContact CG1-CD1 4.12Å; I133-V175 PolarHBondContact N-O 2.64Å; I133-V176 HydrophobicContact CB-CG1 4.16Å; I133-V176 HydrophobicContact CD1-CG1 4.28Å; I133-V176 HydrophobicContact CD1-CG2 4.13Å; I133-V176 HydrophobicContact CG2-CG1 4.38Å; I133-G177 CarbonylContact O-C 3.59Å; I133-G177 PolarHBondContact O-N 2.86Å; I133-M178 HydrophobicContact CG2-CB 4.24Å; I133-M178 HydrophobicContact CG2-CE 3.2Å; I133-M178 HydrophobicContact CG2-SD 4.5Å; I133-V184 HydrophobicContact CD1-CG2 3.69Å
134	G	93.1	Very high	94.6	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.256	C	S	.	.			trans	124.7	147.7	-178	0	0	0	0	0	111.4	G140 C157	G134-G140 WeakPolarHBondContact O-CA 3.3Å; G134-C157 PolarHBondContact N-O 3.29Å
135	R	91.1	Very high	94.8	Very high	167 Å²	167	43.9 Å²	43.9	63%	0.63	24%	0.236	S	C	*	.			trans	-127.8	27.1	-179.3	64.8	179.2	-179.9	-161.3	3	112.8
136	S	90.8	Very high	94.7	Very high	46 Å²	46	43.3 Å²	43.3	32%	0.322	23%	0.232	S	C	.	.			trans	-66.9	153.9	179	67.6	0	0	0	0	110.7	I138 V139 G140 A141	S136-I138 PolarHBondContact O-N 3.25Å; S136-V139 PolarHBondContact OG-N 3.48Å; S136-V139 VanDerWaalsContact OG-N 3.16Å; S136-G140 PolarHBondContact O-N 2.89Å; S136-G140 PolarHBondContact OG-N 3.24Å; S136-A141 PolarHBondContact O-N 3.19Å
137	K	87.6	Confident	94.7	Very high	147 Å²	147	40.9 Å²	40.9	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.3	173.6	-61.7	-177	178.2	-176.9	0	112.9	E74 P142	E74-K137 VanDerWaalsContact CD-NZ 3.28Å; E74-K137 IonicContact OE1-NZ 2.75Å; E74-K137 PolarHBondContact OE1-NZ 3.13Å; E74-K137 IonicContact OE2-NZ 3.55Å; E74-K137 PolarHBondContact OE2-NZ 2.93Å; K137-P142 WeakPolarHBondContact O-CG 3.4Å
138	I	85.4	Confident	94.8	Very high	83 Å²	83	41.4 Å²	41.4	43%	0.426	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-42.6	-173.6	-56.7	174.5	0	0	0	111.7	P111 S136	P111-I138 WeakPolarHBondContact CD-O 3.45Å; S136-I138 PolarHBondContact O-N 3.25Å
139	V	89.4	Confident	94.8	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.103	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-54.7	-174.4	-175.2	0	0	0	0	111.2	T110 S136 M143 C198	T110-V139 HydrophobicContact CG2-CG1 4.43Å; T110-V139 HydrophobicContact CG2-CG2 3.54Å; S136-V139 PolarHBondContact OG-N 3.48Å; S136-V139 VanDerWaalsContact OG-N 3.16Å; V139-M143 WeakPolarHBondContact O-CB 3.41Å; V139-M143 PolarHBondContact O-N 3.43Å; V139-C198 HydrophobicContact CG1-CB 4.07Å
140	G	93.5	Very high	94.7	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-64	-167.8	0	0	0	0	0	114.4	G134 S136 M143 H144	G134-G140 WeakPolarHBondContact O-CA 3.3Å; S136-G140 PolarHBondContact O-N 2.89Å; S136-G140 PolarHBondContact OG-N 3.24Å; G140-M143 PolarHBondContact O-N 2.99Å; G140-H144 PolarHBondContact O-N 3.34Å; G140-H144 VanDerWaalsContact O-N 3.13Å
141	A	94	Very high	94.6	Very high	44 Å²	44	47.1 Å²	47.1	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-46	-178.4	0	0	0	0	0	112.7	S136 M143 H144 D145	S136-A141 PolarHBondContact O-N 3.19Å; A141-M143 VanDerWaalsContact C-N 3.34Å; A141-M143 PolarHBondContact O-N 3.24Å; A141-H144 WeakPolarHBondContact O-CB 3.44Å; A141-H144 PolarHBondContact O-N 3.38Å; A141-D145 PolarHBondContact O-N 3.22Å; A141-D145 VanDerWaalsContact O-N 3.15Å
142	P	95.3	Very high	94.6	Very high	10 Å²	10	47.3 Å²	47.3	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-37.1	176.1	-29.4	38.5	0	0	0	114.8	L97 P108 P111 K137 H144 D145 L146	L97-P142 HydrophobicContact CD2-CB 3.82Å; P108-P142 HydrophobicContact CB-CB 4.46Å; P108-P142 HydrophobicContact CG-CB 3.98Å; P108-P142 HydrophobicContact CG-CG 4.26Å; P111-P142 HydrophobicContact CB-CB 4.31Å; P111-P142 HydrophobicContact CG-CB 3.57Å; P111-P142 HydrophobicContact CG-CG 4.49Å; K137-P142 WeakPolarHBondContact O-CG 3.4Å; P142-H144 VanDerWaalsContact C-N 3.33Å; P142-D145 PolarHBondContact O-N 3.41Å; P142-L146 VanDerWaalsContact O-CB 3.28Å; P142-L146 WeakPolarHBondContact O-CB 3.37Å; P142-L146 PolarHBondContact O-N 3.22Å
143	M	97	Very high	94.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-37	177.3	-169.7	76.9	-142.7	0	0	111.3	P111 C114 M115 I118 V132 V139 G140 A141 L146 L147 V175	P111-M143 HydrophobicContact CB-CB 4.41Å; P111-M143 HydrophobicContact CB-SD 4.03Å; C114-M143 HydrophobicContact CB-CE 3.98Å; C114-M143 HydrophobicContact CB-SD 3.56Å; C114-M143 VanDerWaalsContact CB-SD 3.56Å; M115-M143 HydrophobicContact CG-CE 3.81Å; M115-M143 HydrophobicContact SD-CE 3.46Å; M115-M143 WeakPolarHBondContact SD-CE 3.28Å; I118-M143 HydrophobicContact CD1-CE 4.13Å; V132-M143 HydrophobicContact CG1-CB 4.2Å; V132-M143 HydrophobicContact CG1-CG 4.49Å; V132-M143 HydrophobicContact CG2-CB 4.37Å; V132-M143 HydrophobicContact CG2-CG 4.05Å; V139-M143 WeakPolarHBondContact O-CB 3.41Å; V139-M143 PolarHBondContact O-N 3.43Å; G140-M143 PolarHBondContact O-N 2.99Å; A141-M143 VanDerWaalsContact C-N 3.34Å; A141-M143 PolarHBondContact O-N 3.24Å; M143-L146 PolarHBondContact O-N 3.17Å; M143-L147 HydrophobicContact CE-CD1 3.75Å; M143-L147 HydrophobicContact CE-CD2 3.82Å; M143-L147 HydrophobicContact CE-CG 3.52Å; M143-L147 HydrophobicContact CG-CD1 3.89Å; M143-L147 HydrophobicContact CG-CG 4.45Å; M143-L147 WeakPolarHBondContact O-CB 3.33Å; M143-L147 WeakPolarHBondContact O-CD1 3.26Å; M143-L147 WeakPolarHBondContact O-CG 3.34Å; M143-L147 PolarHBondContact O-N 3.42Å; M143-V175 HydrophobicContact CE-CG2 4.15Å; M143-V175 HydrophobicContact CG-CB 4.12Å; M143-V175 HydrophobicContact CG-CG1 3.95Å; M143-V175 HydrophobicContact CG-CG2 3.98Å; M143-V175 HydrophobicContact SD-CG1 4.34Å; M143-V175 HydrophobicContact SD-CG2 4.28Å
144	H	97.1	Very high	94.6	Very high	47 Å²	47	52.1 Å²	52.1	22%	0.218	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-54.8	173.3	169	90.9	0	0	0	110.9	G140 A141 P142 L146 L147 L148 V154 T156	G140-H144 PolarHBondContact O-N 3.34Å; G140-H144 VanDerWaalsContact O-N 3.13Å; A141-H144 WeakPolarHBondContact O-CB 3.44Å; A141-H144 PolarHBondContact O-N 3.38Å; P142-H144 VanDerWaalsContact C-N 3.33Å; H144-L146 VanDerWaalsContact C-N 3.31Å; H144-L146 PolarHBondContact O-N 2.95Å; H144-L147 PolarHBondContact O-N 2.94Å; H144-L148 WeakPolarHBondContact O-CB 3.33Å; H144-L148 PolarHBondContact O-N 2.97Å; H144-V154 HydrophobicContact CB-CG1 4.33Å; H144-V154 VanDerWaalsContact ND1-CG1 3.33Å; H144-V154 WeakPolarHBondContact ND1-CG1 3.34Å; H144-T156 PolarHBondContact ND1-OG1 2.98Å
145	D	97.1	Very high	94.9	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-43.2	-179.1	-67.1	-26.9	0	0	0	110.9	L97 S98 A141 P142 L147 L148 W149	L97-D145 HydrophobicContact CD1-CB 4.3Å; L97-D145 HydrophobicContact CD2-CB 4.43Å; L97-D145 HydrophobicContact CG-CB 3.94Å; S98-D145 WeakPolarHBondContact CA-OD2 3.45Å; S98-D145 WeakPolarHBondContact CB-OD2 3.22Å; A141-D145 PolarHBondContact O-N 3.22Å; A141-D145 VanDerWaalsContact O-N 3.15Å; P142-D145 PolarHBondContact O-N 3.41Å; D145-L147 PolarHBondContact O-N 3.48Å; D145-L148 WeakPolarHBondContact O-CB 3.34Å; D145-L148 PolarHBondContact O-N 2.9Å; D145-W149 PolarHBondContact O-N 3.44Å
146	L	96.2	Very high	95.1	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-41.8	-177.5	-167	59.8	0	0	0	112.5	L97 L102 I107 P111 M115 P142 M143 H144 N150	L97-L146 HydrophobicContact CD1-CB 4.49Å; L97-L146 HydrophobicContact CD1-CD1 4.19Å; L102-L146 HydrophobicContact CD2-CD1 4.46Å; I107-L146 HydrophobicContact CD1-CD1 4.14Å; I107-L146 HydrophobicContact CG2-CD1 4.02Å; I107-L146 HydrophobicContact CG2-CD2 3.73Å; P111-L146 HydrophobicContact CB-CD2 4.02Å; M115-L146 HydrophobicContact CB-CD2 4.32Å; M115-L146 HydrophobicContact CG-CD2 3.31Å; M115-L146 HydrophobicContact CG-CG 3.7Å; M115-L146 HydrophobicContact SD-CD2 4.48Å; M115-L146 HydrophobicContact SD-CG 4.33Å; P142-L146 VanDerWaalsContact O-CB 3.28Å; P142-L146 WeakPolarHBondContact O-CB 3.37Å; P142-L146 PolarHBondContact O-N 3.22Å; M143-L146 PolarHBondContact O-N 3.17Å; H144-L146 VanDerWaalsContact C-N 3.31Å; H144-L146 PolarHBondContact O-N 2.95Å; L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.43Å; L146-N150 VanDerWaalsContact O-N 3.11Å; L146-N150 PolarHBondContact O-ND2 3.48Å
147	L	97.6	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-39.5	174.3	-74.4	162.4	0	0	0	111.7	M115 I118 V125 A130 V132 M143 H144 D145 N150 H151 A152 V154 I173 V175	M115-L147 HydrophobicContact SD-CD2 3.8Å; M115-L147 HydrophobicContact SD-CG 4.31Å; I118-L147 HydrophobicContact CD1-CD2 4.46Å; V125-L147 HydrophobicContact CG1-CD2 3.92Å; A130-L147 HydrophobicContact CB-CB 4.44Å; A130-L147 HydrophobicContact CB-CD1 3.72Å; A130-L147 HydrophobicContact CB-CD2 4.16Å; A130-L147 HydrophobicContact CB-CG 4.33Å; V132-L147 HydrophobicContact CG2-CD1 3.62Å; M143-L147 HydrophobicContact CE-CD1 3.75Å; M143-L147 HydrophobicContact CE-CD2 3.82Å; M143-L147 HydrophobicContact CE-CG 3.52Å; M143-L147 HydrophobicContact CG-CD1 3.89Å; M143-L147 HydrophobicContact CG-CG 4.45Å; M143-L147 WeakPolarHBondContact O-CB 3.33Å; M143-L147 WeakPolarHBondContact O-CD1 3.26Å; M143-L147 WeakPolarHBondContact O-CG 3.34Å; M143-L147 PolarHBondContact O-N 3.42Å; H144-L147 PolarHBondContact O-N 2.94Å; D145-L147 PolarHBondContact O-N 3.48Å; L147-N150 CarbonylContact O-C 3.54Å; L147-N150 PolarHBondContact O-N 2.97Å; L147-N150 VanDerWaalsContact O-N 3.16Å; L147-H151 PolarHBondContact O-N 3.4Å; L147-A152 HydrophobicContact CB-CB 4.2Å; L147-A152 WeakPolarHBondContact O-CB 3.38Å; L147-A152 PolarHBondContact O-N 3.23Å; L147-V154 HydrophobicContact CB-CG2 3.58Å; L147-I173 HydrophobicContact CD2-CD1 4.4Å; L147-I173 HydrophobicContact CD2-CG2 4.5Å; L147-V175 HydrophobicContact CD1-CG2 4.46Å
148	L	97.5	Very high	95.7	Very high	77 Å²	77	42 Å²	42	40%	0.403	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-49.4	177.5	178.5	68.2	0	0	0	110.8	H144 D145 N150 H151 V154	H144-L148 WeakPolarHBondContact O-CB 3.33Å; H144-L148 PolarHBondContact O-N 2.97Å; D145-L148 WeakPolarHBondContact O-CB 3.34Å; D145-L148 PolarHBondContact O-N 2.9Å; L148-N150 PolarHBondContact O-N 2.83Å; L148-H151 PolarHBondContact O-N 2.86Å; L148-V154 HydrophobicContact CB-CG2 4.09Å
149	W	96.9	Very high	95.9	Very high	104 Å²	104	41.3 Å²	41.3	39%	0.394	23%	0.226	S	C	.	.	H	α-helix	trans	-70	-11.5	177.1	-66.2	122.1	0	0	0	113.7	L97 S98 R99 G100 L102 D145	L97-W149 VanDerWaalsContact O-CD1 3.29Å; L97-W149 PolarHBondContact O-NE1 3.22Å; S98-W149 PolarHBondContact O-NE1 3.43Å; R99-W149 VanDerWaalsContact C-CZ2 3.41Å; R99-W149 WeakPolarHBondContact O-CZ2 3.46Å; G100-W149 VanDerWaalsContact N-CE2 3.35Å; L102-W149 HydrophobicContact CD1-CB 3.93Å; D145-W149 PolarHBondContact O-N 3.44Å
150	N	96.2	Very high	96.1	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	24.6	167.7	-76.1	-92.1	0	0	0	112.8	M115 V125 L146 L147 L148 A152	M115-N150 HydrophobicContact CE-CB 3.84Å; V125-N150 HydrophobicContact CB-CB 4.46Å; V125-N150 HydrophobicContact CG1-CB 3.91Å; L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.43Å; L146-N150 VanDerWaalsContact O-N 3.11Å; L146-N150 PolarHBondContact O-ND2 3.48Å; L147-N150 CarbonylContact O-C 3.54Å; L147-N150 PolarHBondContact O-N 2.97Å; L147-N150 VanDerWaalsContact O-N 3.16Å; L148-N150 PolarHBondContact O-N 2.83Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.33Å
151	H	97.2	Very high	96.1	Very high	147 Å²	147	50.2 Å²	50.2	68%	0.681	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	23.8	171.8	-46.7	-61.7	0	0	0	115.7	A126 G127 L147 L148	A126-H151 HydrophobicContact CB-CB 4.01Å; G127-H151 PolarHBondContact N-O 3.31Å; L147-H151 PolarHBondContact O-N 3.4Å; L148-H151 PolarHBondContact O-N 2.86Å
152	A	98.1	Very high	96.1	Very high	7 Å²	7	53.3 Å²	53.3	6%	0.058	29%	0.292	C	S	.	.			trans	-81.5	152.6	168.7	0	0	0	0	0	111.5	V125 K128 A130 L147 N150 V154	V125-A152 HydrophobicContact CG1-CB 3.88Å; K128-A152 WeakPolarHBondContact O-CA 3.4Å; A130-A152 HydrophobicContact CB-CB 4.1Å; L147-A152 HydrophobicContact CB-CB 4.2Å; L147-A152 WeakPolarHBondContact O-CB 3.38Å; L147-A152 PolarHBondContact O-N 3.23Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.33Å; A152-V154 HydrophobicContact CB-CG2 4Å
153	T	98.2	Very high	96.2	Very high	83 Å²	83	57.3 Å²	57.3	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.1	160.8	-59.8	0	0	0	0	108	K128 R129 A130	K128-T153 PolarHBondContact O-N 3.42Å; R129-T153 WeakPolarHBondContact CA-O 3.16Å; A130-T153 PolarHBondContact N-O 2.95Å
154	V	98.1	Very high	96.1	Very high	22 Å²	22	58.4 Å²	58.4	13%	0.133	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.4	-170.9	-166	0	0	0	0	111.8	A130 V132 H144 L147 L148 A152	A130-V154 CarbonylContact O-C 3.56Å; A130-V154 WeakPolarHBondContact O-CA 3.42Å; V132-V154 HydrophobicContact CG2-CG1 4.05Å; H144-V154 HydrophobicContact CB-CG1 4.33Å; H144-V154 VanDerWaalsContact ND1-CG1 3.33Å; H144-V154 WeakPolarHBondContact ND1-CG1 3.34Å; L147-V154 HydrophobicContact CB-CG2 3.58Å; L148-V154 HydrophobicContact CB-CG2 4.09Å; A152-V154 HydrophobicContact CB-CG2 4Å
155	T	97.8	Very high	96.1	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.3	170.6	-57.3	0	0	0	0	109.7	A130 V131 V132	A130-T155 PolarHBondContact O-N 3.1Å; V131-T155 WeakPolarHBondContact CA-O 3.43Å; V132-T155 PolarHBondContact N-O 2.78Å
156	T	96.9	Very high	96.1	Very high	51 Å²	51	57.7 Å²	57.7	31%	0.313	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.4	177.2	-55.3	0	0	0	0	110	V132 H144	V132-T156 CarbonylContact O-C 3.53Å; V132-T156 WeakPolarHBondContact O-CA 3.49Å; H144-T156 PolarHBondContact ND1-OG1 2.98Å
157	C	96.6	Very high	96.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.5	178.1	-58.9	0	0	0	0	111.2	V132 I133 G134 T161 L164	V132-C157 PolarHBondContact O-N 3.2Å; I133-C157 HydrophobicContact CG1-CB 4.29Å; G134-C157 PolarHBondContact N-O 3.29Å; C157-T161 WeakPolarHBondContact CA-OG1 3.41Å; C157-T161 HydrophobicContact CB-CG2 4.34Å; C157-L164 HydrophobicContact CB-CD1 3.46Å; C157-L164 VanDerWaalsContact CB-CD1 3.46Å
158	H	93.6	Very high	96.1	Very high	53 Å²	53	59.4 Å²	59.4	25%	0.245	33%	0.334	C	S	.	.			trans	-144.8	177.4	177.6	54.2	73.8	0	0	0	110.7	K160 T161	H158-K160 WeakPolarHBondContact ND1-CB 3.3Å; H158-K160 PolarHBondContact ND1-N 3.46Å; H158-K160 PolarHBondContact O-N 3.03Å; H158-T161 PolarHBondContact N-OG1 3.13Å; H158-T161 WeakPolarHBondContact O-CB 3.2Å; H158-T161 PolarHBondContact O-N 3.03Å; H158-T161 PolarHBondContact O-OG1 2.87Å; H158-T161 VanDerWaalsContact O-OG1 3.14Å
159	S	89.9	Confident	96.1	Very high	70 Å²	70	57.4 Å²	57.4	49%	0.49	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	1	-176.9	60.3	0	0	0	0	116	M178	S159-M178 VanDerWaalsContact N-CE 3.31Å
160	K	92.6	Very high	96.1	Very high	168 Å²	168	56.5 Å²	56.5	73%	0.73	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	5.1	178.2	-54.4	-67.9	-174.1	177.7	0	112.4	H158 A162	H158-K160 WeakPolarHBondContact ND1-CB 3.3Å; H158-K160 PolarHBondContact ND1-N 3.46Å; H158-K160 PolarHBondContact O-N 3.03Å; K160-A162 PolarHBondContact O-N 3.16Å
161	T	94.9	Very high	96.2	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.233	32%	0.316	C	S	.	.			trans	-64.7	125.3	170.9	-60.6	0	0	0	0	108.3	C157 H158 L164 E167	C157-T161 WeakPolarHBondContact CA-OG1 3.41Å; C157-T161 HydrophobicContact CB-CG2 4.34Å; H158-T161 PolarHBondContact N-OG1 3.13Å; H158-T161 WeakPolarHBondContact O-CB 3.2Å; H158-T161 PolarHBondContact O-N 3.03Å; H158-T161 PolarHBondContact O-OG1 2.87Å; H158-T161 VanDerWaalsContact O-OG1 3.14Å; T161-L164 HydrophobicContact CG2-CD1 4.42Å; T161-E167 HydrophobicContact CG2-CG 4.39Å
162	A	94.1	Very high	96.3	Very high	110 Å²	110	48.1 Å²	48.1	91%	0.909	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-47.1	-170	0	0	0	0	0	113	K160	K160-A162 PolarHBondContact O-N 3.16Å
163	D	95.9	Very high	96.3	Very high	94 Å²	94	47.8 Å²	47.8	50%	0.503	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	72.6	175.9	-177.7	15.2	0	0	0	110.4	A165 G166 E167	D163-A165 VanDerWaalsContact C-N 3.34Å; D163-A165 PolarHBondContact O-N 3.21Å; D163-G166 WeakPolarHBondContact OD1-CA 3.42Å; D163-G166 PolarHBondContact OD1-N 3.09Å; D163-G166 WeakPolarHBondContact OD2-CA 3.4Å; D163-E167 PolarHBondContact O-N 3.31Å
164	L	95.5	Very high	96.3	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-41.3	-179	-174.5	61.8	0	0	0	111.5	I133 C157 T161 E167 V168 M183 W188	I133-L164 HydrophobicContact CD1-CD1 4.25Å; I133-L164 HydrophobicContact CG1-CD1 4.38Å; C157-L164 HydrophobicContact CB-CD1 3.46Å; C157-L164 VanDerWaalsContact CB-CD1 3.46Å; T161-L164 HydrophobicContact CG2-CD1 4.42Å; L164-E167 PolarHBondContact O-N 2.87Å; L164-V168 VanDerWaalsContact O-CG2 3.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.07Å; L164-M183 HydrophobicContact CD2-SD 3.76Å; L164-W188 HydrophobicContact CD2-CZ3 4.4Å
165	A	96.3	Very high	96.3	Very high	32 Å²	32	42.9 Å²	42.9	26%	0.264	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-42.4	-179.4	0	0	0	0	0	111.9	D163 E167 V168 G169 W188	D163-A165 VanDerWaalsContact C-N 3.34Å; D163-A165 PolarHBondContact O-N 3.21Å; A165-E167 PolarHBondContact O-N 3.3Å; A165-V168 PolarHBondContact O-N 3.05Å; A165-G169 PolarHBondContact O-N 3.17Å; A165-W188 HydrophobicContact CB-CB 4.36Å; A165-W188 HydrophobicContact CB-CD2 3.72Å; A165-W188 HydrophobicContact CB-CE3 4.28Å; A165-W188 HydrophobicContact CB-CG 3.73Å
166	G	97.4	Very high	96.2	Very high	24 Å²	24	40.8 Å²	40.8	25%	0.247	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-34.6	176.7	0	0	0	0	0	113.6	D163 K170	D163-G166 WeakPolarHBondContact OD1-CA 3.42Å; D163-G166 PolarHBondContact OD1-N 3.09Å; D163-G166 WeakPolarHBondContact OD2-CA 3.4Å; G166-K170 WeakPolarHBondContact O-CE 3.45Å; G166-K170 WeakPolarHBondContact O-CG 3.34Å
167	E	97.7	Very high	96.1	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-44.1	172.2	-68.4	-50.4	134.4	0	0	111.9	V131 T161 D163 L164 A165 G169 K170	V131-E167 WeakPolarHBondContact CG2-O 3.14Å; T161-E167 HydrophobicContact CG2-CG 4.39Å; D163-E167 PolarHBondContact O-N 3.31Å; L164-E167 PolarHBondContact O-N 2.87Å; A165-E167 PolarHBondContact O-N 3.3Å; E167-G169 VanDerWaalsContact C-N 3.27Å; E167-G169 PolarHBondContact O-N 3.24Å; E167-K170 WeakPolarHBondContact O-CB 3.45Å; E167-K170 PolarHBondContact O-N 3.4Å; E167-K170 VanDerWaalsContact O-N 3.08Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.06Å; E167-K170 IonicContact OE2-NZ 3.53Å
168	V	97.5	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-40.2	175.5	176.1	0	0	0	0	111.5	I133 L164 A165 K170 A171 L174 V184 W188 I189	I133-V168 HydrophobicContact CD1-CG2 3.59Å; I133-V168 HydrophobicContact CG1-CG2 4.45Å; L164-V168 VanDerWaalsContact O-CG2 3.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.07Å; A165-V168 PolarHBondContact O-N 3.05Å; V168-K170 PolarHBondContact O-N 2.86Å; V168-K170 VanDerWaalsContact O-N 3.11Å; V168-A171 VanDerWaalsContact O-CB 3.3Å; V168-A171 WeakPolarHBondContact O-CB 3.42Å; V168-A171 PolarHBondContact O-N 2.71Å; V168-A171 VanDerWaalsContact O-N 3.09Å; V168-L174 HydrophobicContact CG1-CD1 4.17Å; V168-L174 HydrophobicContact CG1-CD2 3.66Å; V168-L174 HydrophobicContact CG2-CD1 4.17Å; V168-V184 HydrophobicContact CG1-CG1 4.24Å; V168-W188 CarbonylContact C-O 3.32Å; V168-W188 HydrophobicContact CB-CB 4.15Å; V168-W188 HydrophobicContact CG1-CB 3.81Å; V168-W188 VanDerWaalsContact CG1-O 3.23Å; V168-W188 WeakPolarHBondContact CG1-O 3.47Å; V168-I189 HydrophobicContact CG1-CG1 4.25Å
169	G	97.3	Very high	95.6	Very high	34 Å²	34	40.9 Å²	40.9	35%	0.351	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.7	179.1	0	0	0	0	0	114.9	A165 E167 W188 K190	A165-G169 PolarHBondContact O-N 3.17Å; E167-G169 VanDerWaalsContact C-N 3.27Å; E167-G169 PolarHBondContact O-N 3.24Å; G169-W188 WeakPolarHBondContact CA-O 3.44Å; G169-W188 PolarHBondContact N-O 2.9Å; G169-K190 WeakPolarHBondContact O-CB 2.96Å
170	K	97.1	Very high	95.7	Very high	85 Å²	85	42.9 Å²	42.9	37%	0.37	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.3	177	-62.9	166.7	-165	169.1	0	113.1	G166 E167 V168	G166-K170 WeakPolarHBondContact O-CE 3.45Å; G166-K170 WeakPolarHBondContact O-CG 3.34Å; E167-K170 WeakPolarHBondContact O-CB 3.45Å; E167-K170 PolarHBondContact O-N 3.4Å; E167-K170 VanDerWaalsContact O-N 3.08Å; E167-K170 IonicContact OE1-NZ 2.7Å; E167-K170 PolarHBondContact OE1-NZ 3.06Å; E167-K170 IonicContact OE2-NZ 3.53Å; V168-K170 PolarHBondContact O-N 2.86Å; V168-K170 VanDerWaalsContact O-N 3.11Å
171	A	97.9	Very high	95.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	24%	0.241	C	C	.	.			trans	-76.9	123.8	-169.6	0	0	0	0	0	112.4	V131 V168 L174 K190 A193	V131-A171 HydrophobicContact CB-CB 3.77Å; V131-A171 HydrophobicContact CG2-CB 3.6Å; V168-A171 VanDerWaalsContact O-CB 3.3Å; V168-A171 WeakPolarHBondContact O-CB 3.42Å; V168-A171 PolarHBondContact O-N 2.71Å; V168-A171 VanDerWaalsContact O-N 3.09Å; A171-L174 HydrophobicContact CB-CB 4.14Å; A171-L174 HydrophobicContact CB-CD1 4.47Å; A171-K190 WeakPolarHBondContact O-CB 3.37Å; A171-K190 WeakPolarHBondContact O-CD 3.25Å; A171-A193 WeakPolarHBondContact O-CB 3.4Å
172	D	98.1	Very high	95.8	Very high	29 Å²	29	36.5 Å²	36.5	16%	0.155	24%	0.238	C	C	.	.	S	Bend	trans	-77.3	-33.1	161	-59.4	-57.7	0	0	0	110.7	K128 R129 K190 A193 V194	K128-D172 HydrophobicContact CB-CB 4.07Å; K128-D172 HydrophobicContact CD-CB 4Å; K128-D172 HydrophobicContact CG-CB 4.4Å; R129-D172 PolarHBondContact N-OD2 2.81Å; R129-D172 PolarHBondContact O-N 3.36Å; D172-K190 IonicContact OD1-NZ 2.66Å; D172-K190 PolarHBondContact OD1-NZ 3.5Å; D172-A193 WeakPolarHBondContact O-CA 3.27Å; D172-V194 PolarHBondContact O-N 3.07Å
173	I	98.6	Very high	95.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	175.8	-56.7	170.2	0	0	0	107.6	I118 L123 V125 K128 R129 A130 V131 L147 V175 V194	I118-I173 HydrophobicContact CD1-CG2 3.61Å; I118-I173 HydrophobicContact CG1-CG2 4.19Å; I118-I173 HydrophobicContact CG2-CD1 4.22Å; L123-I173 HydrophobicContact CD2-CD1 3.6Å; L123-I173 HydrophobicContact CD2-CG1 3.65Å; V125-I173 HydrophobicContact CB-CD1 4.35Å; V125-I173 HydrophobicContact CG1-CD1 4.19Å; V125-I173 HydrophobicContact CG2-CD1 4.04Å; K128-I173 HydrophobicContact CB-CD1 4.26Å; R129-I173 PolarHBondContact O-N 2.91Å; A130-I173 CarbonylContact C-O 3.56Å; A130-I173 VanDerWaalsContact CA-O 3.25Å; A130-I173 WeakPolarHBondContact CA-O 3.47Å; A130-I173 HydrophobicContact CB-CB 4.05Å; V131-I173 PolarHBondContact N-O 2.94Å; L147-I173 HydrophobicContact CD2-CD1 4.4Å; L147-I173 HydrophobicContact CD2-CG2 4.5Å; I173-V175 HydrophobicContact CG2-CG2 4.32Å; I173-V194 CarbonylContact C-O 3.58Å; I173-V194 WeakPolarHBondContact CA-O 2.98Å
174	L	98.4	Very high	95.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	178.8	177.9	66	0	0	0	109.6	V131 I133 V168 A171 V176 V184 I189 V194 V195 I196	V131-L174 HydrophobicContact CB-CD1 4.01Å; V131-L174 HydrophobicContact CG1-CD1 4Å; V131-L174 WeakPolarHBondContact O-CA 3.34Å; I133-L174 HydrophobicContact CD1-CD1 4Å; I133-L174 HydrophobicContact CG1-CD1 4.12Å; V168-L174 HydrophobicContact CG1-CD1 4.17Å; V168-L174 HydrophobicContact CG1-CD2 3.66Å; V168-L174 HydrophobicContact CG2-CD1 4.17Å; A171-L174 HydrophobicContact CB-CB 4.14Å; A171-L174 HydrophobicContact CB-CD1 4.47Å; L174-V176 HydrophobicContact CD1-CG2 4.1Å; L174-V176 HydrophobicContact CD2-CG2 4.03Å; L174-V176 HydrophobicContact CG-CG2 3.72Å; L174-V184 HydrophobicContact CD2-CG1 4.29Å; L174-I189 HydrophobicContact CD2-CD1 4.47Å; L174-I189 HydrophobicContact CD2-CG1 4.1Å; L174-V194 PolarHBondContact N-O 3.09Å; L174-V195 HydrophobicContact CB-CG2 4.32Å; L174-V195 HydrophobicContact CD2-CG1 4.12Å; L174-V195 HydrophobicContact CD2-CG2 4.27Å; L174-V195 CarbonylContact O-C 3.59Å; L174-V195 WeakPolarHBondContact O-CA 3.27Å; L174-I196 PolarHBondContact O-N 3.37Å
175	V	98.1	Very high	95.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.1	173.4	-173	0	0	0	0	109.3	V131 V132 I133 M143 L147 I173 I196	V131-V175 PolarHBondContact O-N 3.07Å; V132-V175 CarbonylContact C-O 3.56Å; V132-V175 WeakPolarHBondContact CA-O 3.49Å; I133-V175 PolarHBondContact N-O 2.64Å; M143-V175 HydrophobicContact CE-CG2 4.15Å; M143-V175 HydrophobicContact CG-CB 4.12Å; M143-V175 HydrophobicContact CG-CG1 3.95Å; M143-V175 HydrophobicContact CG-CG2 3.98Å; M143-V175 HydrophobicContact SD-CG1 4.34Å; M143-V175 HydrophobicContact SD-CG2 4.28Å; L147-V175 HydrophobicContact CD1-CG2 4.46Å; I173-V175 HydrophobicContact CG2-CG2 4.32Å; V175-I196 CarbonylContact C-O 3.51Å; V175-I196 WeakPolarHBondContact CA-O 3.44Å; V175-I196 HydrophobicContact CG1-CB 4.31Å; V175-I196 HydrophobicContact CG1-CG2 4.43Å; V175-I196 HydrophobicContact CG2-CB 4.21Å; V175-I196 HydrophobicContact CG2-CG1 4.43Å
176	V	96.7	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.5	-171.6	-167.7	0	0	0	0	111.2	I133 L174 V184 I196 C198 D217 V218	I133-V176 HydrophobicContact CB-CG1 4.16Å; I133-V176 HydrophobicContact CD1-CG1 4.28Å; I133-V176 HydrophobicContact CD1-CG2 4.13Å; I133-V176 HydrophobicContact CG2-CG1 4.38Å; L174-V176 HydrophobicContact CD1-CG2 4.1Å; L174-V176 HydrophobicContact CD2-CG2 4.03Å; L174-V176 HydrophobicContact CG-CG2 3.72Å; V176-V184 HydrophobicContact CG1-CG2 3.85Å; V176-V184 HydrophobicContact CG2-CG2 4.32Å; V176-I196 PolarHBondContact N-O 3.13Å; V176-C198 WeakPolarHBondContact O-CA 3.39Å; V176-C198 WeakPolarHBondContact O-CB 3.42Å; V176-C198 PolarHBondContact O-N 3.17Å; V176-D217 HydrophobicContact CB-CB 4.43Å; V176-D217 HydrophobicContact CG1-CB 3.48Å; V176-D217 VanDerWaalsContact CG1-CB 3.48Å; V176-V218 HydrophobicContact CB-CG2 3.91Å; V176-V218 HydrophobicContact CG1-CG2 4.18Å; V176-V218 HydrophobicContact CG2-CG2 3.68Å
177	G	93.4	Very high	95.8	Very high	20 Å²	20	34.5 Å²	34.5	21%	0.206	19%	0.194	C	C	.	.			trans	-158	58.9	178	0	0	0	0	0	112	I133 D217	I133-G177 CarbonylContact O-C 3.59Å; I133-G177 PolarHBondContact O-N 2.86Å; G177-D217 VanDerWaalsContact CA-OD2 3.31Å; G177-D217 WeakPolarHBondContact CA-OD2 3.44Å
178	M	90.9	Very high	95.8	Very high	39 Å²	39	36 Å²	36	19%	0.192	20%	0.197	C	C	.	.	S	Bend	trans	-86.7	-24.8	176	-166	75.1	75.5	0	0	113	I133 S159 K180 M183 D217	I133-M178 HydrophobicContact CG2-CB 4.24Å; I133-M178 HydrophobicContact CG2-CE 3.2Å; I133-M178 HydrophobicContact CG2-SD 4.5Å; S159-M178 VanDerWaalsContact N-CE 3.31Å; M178-K180 HydrophobicContact CG-CD 4.45Å; M178-K180 HydrophobicContact CG-CG 4.31Å; M178-M183 HydrophobicContact CB-CE 3.38Å; M178-M183 HydrophobicContact CE-CE 4.03Å; M178-M183 HydrophobicContact CG-CE 3.39Å; M178-D217 PolarHBondContact N-OD2 2.83Å
179	G	89.7	Confident	95.8	Very high	48 Å²	48	36.5 Å²	36.5	50%	0.495	20%	0.2	S	C	.	.	S	Bend	trans	73.4	42.1	-172.8	0	0	0	0	0	112.7	N201 D217	G179-N201 VanDerWaalsContact C-OD1 3.28Å; G179-N201 PolarHBondContact O-OD1 2.78Å; G179-D217 WeakPolarHBondContact CA-OD1 3.5Å; G179-D217 PolarHBondContact N-OD1 2.88Å; G179-D217 PolarHBondContact N-OD2 2.81Å
180	K	92.1	Very high	95.8	Very high	113 Å²	113	38.8 Å²	38.8	49%	0.491	20%	0.2	S	C	.	.			trans	-135.3	113	174	-70.7	-168.9	175.9	-171.8	0	109.6	M178 E182 M183 D217	M178-K180 HydrophobicContact CG-CD 4.45Å; M178-K180 HydrophobicContact CG-CG 4.31Å; K180-E182 PolarHBondContact O-N 3.17Å; K180-M183 HydrophobicContact CB-CB 4.09Å; K180-M183 HydrophobicContact CB-CE 4.02Å; K180-M183 HydrophobicContact CD-CE 4.31Å; K180-M183 PolarHBondContact O-N 2.92Å; K180-D217 PolarHBondContact N-OD1 2.71Å; K180-D217 WeakPolarHBondContact O-CA 3.33Å; K180-D217 VanDerWaalsContact O-OD1 3.13Å
181	A	94.4	Very high	95.8	Very high	38 Å²	38	43.1 Å²	43.1	31%	0.314	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	126.3	-178.2	0	0	0	0	0	113	M183 N201 I203 V215 G216	A181-M183 PolarHBondContact O-N 3.29Å; A181-N201 HydrophobicContact CB-CB 3.66Å; A181-N201 PolarHBondContact N-ND2 3.01Å; A181-I203 HydrophobicContact CB-CG2 3.68Å; A181-V215 HydrophobicContact CB-CG2 3.94Å; A181-G216 WeakPolarHBondContact CA-O 3.05Å
182	E	94.6	Very high	95.7	Very high	34 Å²	34	45.2 Å²	45.2	16%	0.159	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	30.5	169.6	-58.3	179.9	168	0	0	114.7	K180 K185 R213 V215 G216 D217 H219	K180-E182 PolarHBondContact O-N 3.17Å; E182-K185 VanDerWaalsContact O-CE 3.3Å; E182-K185 WeakPolarHBondContact O-CE 3.37Å; E182-K185 PolarHBondContact O-NZ 3.45Å; E182-R213 IonicContact OE1-CZ 3.95Å; E182-R213 IonicContact OE1-NH2 3.93Å; E182-R213 PolarHBondContact OE1-NH2 3.31Å; E182-V215 HydrophobicContact CG-CB 4.21Å; E182-V215 HydrophobicContact CG-CG2 4.12Å; E182-G216 PolarHBondContact N-O 3.42Å; E182-D217 CarbonylContact C-O 3.52Å; E182-D217 WeakPolarHBondContact CA-O 3.46Å; E182-H219 HydrophobicContact CB-CB 4.1Å; E182-H219 IonicContact OE1-CD2 3.99Å; E182-H219 IonicContact OE2-CD2 3.56Å
183	M	95.2	Very high	95.7	Very high	40 Å²	40	44 Å²	44	20%	0.197	24%	0.235	C	C	.	.			trans	-69.2	-44.5	-177.9	-174.6	-128.5	-45.3	0	0	112.2	L164 M178 K180 A181 K185 W188 D217	L164-M183 HydrophobicContact CD2-SD 3.76Å; M178-M183 HydrophobicContact CB-CE 3.38Å; M178-M183 HydrophobicContact CE-CE 4.03Å; M178-M183 HydrophobicContact CG-CE 3.39Å; K180-M183 HydrophobicContact CB-CB 4.09Å; K180-M183 HydrophobicContact CB-CE 4.02Å; K180-M183 HydrophobicContact CD-CE 4.31Å; K180-M183 PolarHBondContact O-N 2.92Å; A181-M183 PolarHBondContact O-N 3.29Å; M183-K185 PolarHBondContact O-N 2.94Å; M183-W188 WeakPolarHBondContact O-CH2 3.23Å; M183-W188 WeakPolarHBondContact O-CZ3 3.47Å; M183-D217 PolarHBondContact N-O 2.59Å
184	V	96.4	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-79.5	119.6	178.3	179.4	0	0	0	0	108.4	I133 V168 L174 V176 W188 I189 D217 V218 H219	I133-V184 HydrophobicContact CD1-CG2 3.69Å; V168-V184 HydrophobicContact CG1-CG1 4.24Å; L174-V184 HydrophobicContact CD2-CG1 4.29Å; V176-V184 HydrophobicContact CG1-CG2 3.85Å; V176-V184 HydrophobicContact CG2-CG2 4.32Å; V184-W188 HydrophobicContact CB-CE3 4.45Å; V184-W188 HydrophobicContact CG1-CE3 4.22Å; V184-I189 HydrophobicContact CG1-CD1 4.41Å; V184-I189 HydrophobicContact CG1-CG1 4.27Å; V184-D217 PolarHBondContact N-O 2.78Å; V184-V218 HydrophobicContact CB-CB 4.47Å; V184-V218 HydrophobicContact CB-CG1 4.39Å; V184-V218 HydrophobicContact CB-CG2 4.11Å; V184-V218 HydrophobicContact CG1-CG1 4.39Å; V184-V218 HydrophobicContact CG1-CG2 4.47Å; V184-H219 PolarHBondContact O-N 2.84Å
185	K	96.4	Very high	95.6	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	24%	0.236	S	C	.	.			trans	-95.8	150.4	179.6	-53.3	-56.8	-171.2	-174.1	0	111.1	E182 M183 E187 W188 H219	E182-K185 VanDerWaalsContact O-CE 3.3Å; E182-K185 WeakPolarHBondContact O-CE 3.37Å; E182-K185 PolarHBondContact O-NZ 3.45Å; M183-K185 PolarHBondContact O-N 2.94Å; K185-E187 HydrophobicContact CB-CG 4.16Å; K185-E187 WeakPolarHBondContact CB-OE1 3.33Å; K185-E187 VanDerWaalsContact CB-OE2 3.3Å; K185-E187 WeakPolarHBondContact CB-OE2 3.36Å; K185-E187 PolarHBondContact O-N 2.71Å; K185-W188 HydrophobicContact CG-CZ2 4.43Å; K185-W188 WeakPolarHBondContact O-CB 3.5Å; K185-W188 PolarHBondContact O-N 3.44Å; K185-H219 HydrophobicContact CD-CB 4.12Å
186	G	94.8	Very high	95.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.01	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-53.9	-38.7	-179.2	0	0	0	0	0	113.7	W188 I189 S222 Q226	G186-W188 PolarHBondContact O-N 3.44Å; G186-W188 VanDerWaalsContact O-N 3.12Å; G186-I189 WeakPolarHBondContact O-CB 3.41Å; G186-I189 PolarHBondContact O-N 3.45Å; G186-S222 PolarHBondContact N-OG 3.47Å; G186-Q226 WeakPolarHBondContact O-CG 3.46Å
187	E	96.4	Very high	95.6	Very high	133 Å²	133	44.5 Å²	44.5	62%	0.621	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-63.1	-15.5	177.8	60.6	-89.5	-159.8	0	0	114.6	K185	K185-E187 HydrophobicContact CB-CG 4.16Å; K185-E187 WeakPolarHBondContact CB-OE1 3.33Å; K185-E187 VanDerWaalsContact CB-OE2 3.3Å; K185-E187 WeakPolarHBondContact CB-OE2 3.36Å; K185-E187 PolarHBondContact O-N 2.71Å
188	W	97.4	Very high	95.6	Very high	72 Å²	72	44.7 Å²	44.7	27%	0.273	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-84.7	-17.2	173.7	-56.4	-4.6	0	0	0	112.1	L164 A165 V168 G169 M183 V184 K185 G186	L164-W188 HydrophobicContact CD2-CZ3 4.4Å; A165-W188 HydrophobicContact CB-CB 4.36Å; A165-W188 HydrophobicContact CB-CD2 3.72Å; A165-W188 HydrophobicContact CB-CE3 4.28Å; A165-W188 HydrophobicContact CB-CG 3.73Å; V168-W188 CarbonylContact C-O 3.32Å; V168-W188 HydrophobicContact CB-CB 4.15Å; V168-W188 HydrophobicContact CG1-CB 3.81Å; V168-W188 VanDerWaalsContact CG1-O 3.23Å; V168-W188 WeakPolarHBondContact CG1-O 3.47Å; G169-W188 WeakPolarHBondContact CA-O 3.44Å; G169-W188 PolarHBondContact N-O 2.9Å; M183-W188 WeakPolarHBondContact O-CH2 3.23Å; M183-W188 WeakPolarHBondContact O-CZ3 3.47Å; V184-W188 HydrophobicContact CB-CE3 4.45Å; V184-W188 HydrophobicContact CG1-CE3 4.22Å; K185-W188 HydrophobicContact CG-CZ2 4.43Å; K185-W188 WeakPolarHBondContact O-CB 3.5Å; K185-W188 PolarHBondContact O-N 3.44Å; G186-W188 PolarHBondContact O-N 3.44Å; G186-W188 VanDerWaalsContact O-N 3.12Å
189	I	98.1	Very high	95.5	Very high	10 Å²	10	43 Å²	43	5%	0.051	23%	0.229	C	C	.	.	S	Bend	trans	-87.5	130	-169.4	-58.6	174.5	0	0	0	109.5	V168 L174 V184 G186 K191 A193 V195 V218 A223 Q226 A227	V168-I189 HydrophobicContact CG1-CG1 4.25Å; L174-I189 HydrophobicContact CD2-CD1 4.47Å; L174-I189 HydrophobicContact CD2-CG1 4.1Å; V184-I189 HydrophobicContact CG1-CD1 4.41Å; V184-I189 HydrophobicContact CG1-CG1 4.27Å; G186-I189 WeakPolarHBondContact O-CB 3.41Å; G186-I189 PolarHBondContact O-N 3.45Å; I189-K191 PolarHBondContact O-N 2.8Å; I189-A193 HydrophobicContact CG2-CB 4.09Å; I189-V195 HydrophobicContact CD1-CG2 4.13Å; I189-V195 HydrophobicContact CG2-CG2 3.72Å; I189-V218 HydrophobicContact CD1-CG1 4.1Å; I189-A223 HydrophobicContact CD1-CB 3.43Å; I189-A223 VanDerWaalsContact CD1-CB 3.43Å; I189-Q226 HydrophobicContact CB-CB 4.43Å; I189-A227 HydrophobicContact CG2-CB 4.39Å
190	K	97.5	Very high	95.5	Very high	83 Å²	83	45.1 Å²	45.1	36%	0.361	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-59.3	131	172.6	-174.3	-177.3	179.7	-179.3	0	110.4	G169 A171 D172 G192 A193	G169-K190 WeakPolarHBondContact O-CB 2.96Å; A171-K190 WeakPolarHBondContact O-CB 3.37Å; A171-K190 WeakPolarHBondContact O-CD 3.25Å; D172-K190 IonicContact OD1-NZ 2.66Å; D172-K190 PolarHBondContact OD1-NZ 3.5Å; K190-G192 PolarHBondContact O-N 2.85Å; K190-A193 HydrophobicContact CB-CB 4.23Å; K190-A193 WeakPolarHBondContact O-CB 3.43Å; K190-A193 PolarHBondContact O-N 2.81Å
191	K	96.7	Very high	95.4	Very high	175 Å²	175	40.9 Å²	40.9	76%	0.761	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126.3	177.7	-171.6	172.5	-177.5	174.4	0	111.1	I189 Q226	I189-K191 PolarHBondContact O-N 2.8Å; K191-Q226 WeakPolarHBondContact CA-O 3.24Å
192	G	95.8	Very high	95.1	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	3.6	-178.9	0	0	0	0	0	115.4	K190 Q226	K190-G192 PolarHBondContact O-N 2.85Å; G192-Q226 PolarHBondContact N-O 2.69Å
193	A	97.7	Very high	94.9	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	22%	0.222	C	C	.	.			trans	-65.1	153.9	176.9	0	0	0	0	0	112.7	A171 D172 I189 K190 A227 G228 F229	A171-A193 WeakPolarHBondContact O-CB 3.4Å; D172-A193 WeakPolarHBondContact O-CA 3.27Å; I189-A193 HydrophobicContact CG2-CB 4.09Å; K190-A193 HydrophobicContact CB-CB 4.23Å; K190-A193 WeakPolarHBondContact O-CB 3.43Å; K190-A193 PolarHBondContact O-N 2.81Å; A193-A227 CarbonylContact O-C 3.53Å; A193-A227 WeakPolarHBondContact O-CA 3.38Å; A193-G228 PolarHBondContact O-N 3.04Å; A193-F229 PolarHBondContact O-N 3.09Å
194	V	98.4	Very high	94.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.2	168.5	175.1	0	0	0	0	108.6	I118 T121 L123 D172 I173 L174 I196 F229	I118-V194 HydrophobicContact CG1-CG1 4.05Å; T121-V194 HydrophobicContact CG2-CG1 3.98Å; T121-V194 HydrophobicContact CG2-CG2 4.05Å; L123-V194 HydrophobicContact CB-CG2 4.24Å; L123-V194 HydrophobicContact CD1-CG2 3.87Å; D172-V194 PolarHBondContact O-N 3.07Å; I173-V194 CarbonylContact C-O 3.58Å; I173-V194 WeakPolarHBondContact CA-O 2.98Å; L174-V194 PolarHBondContact N-O 3.09Å; V194-I196 HydrophobicContact CG1-CD1 4.18Å; V194-I196 HydrophobicContact CG1-CG1 4.49Å; V194-F229 HydrophobicContact CG1-CB 4.44Å; V194-F229 HydrophobicContact CG2-CB 4.43Å; V194-F229 HydrophobicContact CG2-CD2 4.1Å
195	V	98.1	Very high	94.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.6	-175.9	-176.7	0	0	0	0	110.3	L174 I189 V218 A227 F229 I230 T231	L174-V195 HydrophobicContact CB-CG2 4.32Å; L174-V195 HydrophobicContact CD2-CG1 4.12Å; L174-V195 HydrophobicContact CD2-CG2 4.27Å; L174-V195 CarbonylContact O-C 3.59Å; L174-V195 WeakPolarHBondContact O-CA 3.27Å; I189-V195 HydrophobicContact CD1-CG2 4.13Å; I189-V195 HydrophobicContact CG2-CG2 3.72Å; V195-V218 HydrophobicContact CG1-CG1 4.43Å; V195-V218 HydrophobicContact CG1-CG2 4.16Å; V195-A227 HydrophobicContact CB-CB 4.32Å; V195-A227 HydrophobicContact CG2-CB 3.62Å; V195-F229 PolarHBondContact N-O 2.98Å; V195-I230 HydrophobicContact CB-CB 4.29Å; V195-I230 HydrophobicContact CB-CG1 4.26Å; V195-I230 HydrophobicContact CG1-CD1 4.22Å; V195-I230 HydrophobicContact CG1-CG1 4.25Å; V195-I230 VanDerWaalsContact O-CA 3.31Å; V195-I230 WeakPolarHBondContact O-CA 3.33Å; V195-T231 PolarHBondContact O-N 3.17Å
196	I	97.9	Very high	93.8	Very high	5 Å²	5	56 Å²	56	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.6	175.2	-51.8	-60.3	0	0	0	108.5	C114 L117 I118 L174 V175 V176 V194 T231 V237	C114-I196 HydrophobicContact CB-CG2 3.95Å; C114-I196 VanDerWaalsContact SG-CG2 3.59Å; L117-I196 HydrophobicContact CB-CD1 3.92Å; I118-I196 HydrophobicContact CD1-CG1 4.28Å; I118-I196 HydrophobicContact CG1-CD1 4.14Å; I118-I196 HydrophobicContact CG1-CG1 3.93Å; L174-I196 PolarHBondContact O-N 3.37Å; V175-I196 CarbonylContact C-O 3.51Å; V175-I196 WeakPolarHBondContact CA-O 3.44Å; V175-I196 HydrophobicContact CG1-CB 4.31Å; V175-I196 HydrophobicContact CG1-CG2 4.43Å; V175-I196 HydrophobicContact CG2-CB 4.21Å; V175-I196 HydrophobicContact CG2-CG1 4.43Å; V176-I196 PolarHBondContact N-O 3.13Å; V194-I196 HydrophobicContact CG1-CD1 4.18Å; V194-I196 HydrophobicContact CG1-CG1 4.49Å; I196-T231 HydrophobicContact CD1-CG2 3.64Å; I196-T231 HydrophobicContact CG2-CG2 4.19Å; I196-V237 HydrophobicContact CG2-CG2 3.58Å
197	D	96.6	Very high	93.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.5	176.4	-168.1	-9.3	0	0	0	110	G199 G216 D217 V218 T231 V233 V237	D197-G199 PolarHBondContact OD1-N 3.03Å; D197-G216 WeakPolarHBondContact OD2-CA 3.41Å; D197-D217 PolarHBondContact OD1-N 2.81Å; D197-D217 PolarHBondContact OD2-N 3.15Å; D197-V218 HydrophobicContact CB-CB 4.33Å; D197-V218 HydrophobicContact CB-CG2 3.95Å; D197-V218 WeakPolarHBondContact OD2-CA 3.31Å; D197-V218 VanDerWaalsContact OD2-CB 3.28Å; D197-V218 WeakPolarHBondContact OD2-CB 3.37Å; D197-V218 PolarHBondContact OD2-N 3.37Å; D197-T231 PolarHBondContact N-OG1 3.37Å; D197-V233 HydrophobicContact CB-CG2 3.97Å; D197-V237 WeakPolarHBondContact O-CG2 3.47Å
198	C	92.9	Very high	92.7	Very high	24 Å²	24	60.7 Å²	60.7	16%	0.162	32%	0.315	C	S	.	.			trans	-94.1	-5.9	177.5	-57.5	0	0	0	0	112.2	C114 V139 V176	C114-C198 PolarHBondContact SG-SG 2.79Å; V139-C198 HydrophobicContact CG1-CB 4.07Å; V176-C198 WeakPolarHBondContact O-CA 3.39Å; V176-C198 WeakPolarHBondContact O-CB 3.42Å; V176-C198 PolarHBondContact O-N 3.17Å
199	G	89.4	Confident	91.8	Very high	5 Å²	5	64 Å²	64	5%	0.052	35%	0.349	C	S	.	.			trans	-69	141.4	-178.7	0	0	0	0	0	111.6	D197 G216 V233	D197-G199 PolarHBondContact OD1-N 3.03Å; G199-G216 WeakPolarHBondContact O-CA 3.44Å; G199-V233 WeakPolarHBondContact O-CG1 3.41Å
200	I	88.5	Confident	90.8	Very high	91 Å²	91	67.5 Å²	67.5	47%	0.467	37%	0.374	S	S	.	.			trans	-128.8	112.3	169	-60.2	-178	0	0	0	107.5	Y14 V214	Y14-I200 WeakPolarHBondContact OH-CD1 3.48Å; I200-V214 HydrophobicContact CG2-CG1 4.09Å
201	N	89.8	Confident	90.2	Very high	25 Å²	25	65.3 Å²	65.3	13%	0.134	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	168.1	178.9	-56.1	-83.8	0	0	0	110.1	G179 A181 V214 V215 G216 D217	G179-N201 VanDerWaalsContact C-OD1 3.28Å; G179-N201 PolarHBondContact O-OD1 2.78Å; A181-N201 HydrophobicContact CB-CB 3.66Å; A181-N201 PolarHBondContact N-ND2 3.01Å; N201-V214 CarbonylContact O-C 3.51Å; N201-V214 WeakPolarHBondContact O-CA 3.48Å; N201-V215 WeakPolarHBondContact CA-O 3.48Å; N201-V215 HydrophobicContact CB-CG2 4.32Å; N201-V215 PolarHBondContact N-O 3.02Å; N201-V215 PolarHBondContact O-N 3.26Å; N201-G216 PolarHBondContact ND2-O 2.95Å; N201-D217 PolarHBondContact ND2-OD1 3.03Å
202	H	89.4	Confident	89.8	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.537	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.4	173.2	-65.4	-87.9	0	0	0	110	K212 R213	H202-K212 HydrophobicContact CB-CB 4.26Å; H202-K212 HydrophobicContact CB-CD 4.17Å; H202-R213 WeakPolarHBondContact CA-O 3.24Å
203	I	90	Very high	89.4	Confident	37 Å²	37	65.2 Å²	65.2	19%	0.19	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.6	167.8	59.5	174.9	0	0	0	110.2	A181 D205 K212 R213 V215	A181-I203 HydrophobicContact CB-CG2 3.68Å; I203-D205 PolarHBondContact O-N 2.93Å; I203-K212 CarbonylContact O-C 3.51Å; I203-K212 VanDerWaalsContact O-CA 3.29Å; I203-K212 WeakPolarHBondContact O-CA 3.36Å; I203-R213 HydrophobicContact CD1-CG 4.22Å; I203-R213 VanDerWaalsContact CD1-NH2 3.27Å; I203-R213 HydrophobicContact CG1-CG 3.55Å; I203-R213 PolarHBondContact N-O 3.31Å; I203-R213 PolarHBondContact O-N 2.89Å; I203-V215 HydrophobicContact CB-CG2 4.49Å; I203-V215 HydrophobicContact CD1-CG1 3.94Å; I203-V215 HydrophobicContact CD1-CG2 4.1Å; I203-V215 HydrophobicContact CG1-CG1 4.02Å; I203-V215 HydrophobicContact CG1-CG2 3.92Å; I203-V215 HydrophobicContact CG2-CG2 3.94Å
204	P	90.6	Very high	89	Confident	119 Å²	119	67.5 Å²	67.5	77%	0.773	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.6	132.3	179.5	-24.7	34.5	0	0	0	111.6
205	D	87.1	Confident	88.7	Confident	28 Å²	28	68.1 Å²	68.1	15%	0.15	38%	0.377	C	S	.	.			trans	-150.5	104.7	176.2	-173.1	-10.7	0	0	0	109.2	I203 T207 K208 G211 K212 R213	I203-D205 PolarHBondContact O-N 2.93Å; D205-T207 VanDerWaalsContact CG-OG1 3.23Å; D205-T207 PolarHBondContact O-N 3.3Å; D205-T207 VanDerWaalsContact OD1-CB 3.31Å; D205-T207 WeakPolarHBondContact OD1-CB 3.33Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.5Å; D205-T207 PolarHBondContact OD1-N 3.37Å; D205-T207 PolarHBondContact OD1-OG1 3.5Å; D205-T207 PolarHBondContact OD2-OG1 3.13Å; D205-K208 HydrophobicContact CB-CG 4.29Å; D205-K208 PolarHBondContact O-N 3.28Å; D205-G211 PolarHBondContact N-O 3.23Å; D205-G211 CarbonylContact O-C 3.48Å; D205-G211 WeakPolarHBondContact O-CA 3.45Å; D205-K212 PolarHBondContact O-N 3.19Å; D205-R213 HydrophobicContact CB-CB 3.7Å; D205-R213 HydrophobicContact CB-CG 3.79Å; D205-R213 WeakPolarHBondContact OD2-CB 3.35Å; D205-R213 WeakPolarHBondContact OD2-CD 3Å
206	Q	86.9	Confident	88.5	Confident	196 Å²	196	68.3 Å²	68.3	92%	0.916	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12	-179.1	-64.9	-172.9	-3.1	0	0	112.8	K208	Q206-K208 VanDerWaalsContact C-N 3.3Å
207	T	84.6	Confident	88.4	Confident	117 Å²	117	68 Å²	68	72%	0.718	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-10.6	176.5	73.8	0	0	0	0	113	D205	D205-T207 VanDerWaalsContact CG-OG1 3.23Å; D205-T207 PolarHBondContact O-N 3.3Å; D205-T207 VanDerWaalsContact OD1-CB 3.31Å; D205-T207 WeakPolarHBondContact OD1-CB 3.33Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.5Å; D205-T207 PolarHBondContact OD1-N 3.37Å; D205-T207 PolarHBondContact OD1-OG1 3.5Å; D205-T207 PolarHBondContact OD2-OG1 3.13Å
208	K	82.9	Confident	88.4	Confident	115 Å²	115	68 Å²	68	50%	0.5	38%	0.376	S	S	.	.	S	Bend	trans	-99.9	141.9	176	-61.6	-61	-179.1	-174.6	0	110.6	D205 Q206 S210 G211 R213	D205-K208 HydrophobicContact CB-CG 4.29Å; D205-K208 PolarHBondContact O-N 3.28Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; K208-S210 PolarHBondContact O-N 3.45Å; K208-S210 VanDerWaalsContact O-N 3.15Å; K208-G211 PolarHBondContact O-N 2.93Å; K208-R213 HydrophobicContact CG-CB 4.32Å
209	S	78.1	Confident	88.6	Confident	141 Å²	141	69.4 Å²	69.4	99%	0.986	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	176.9	50.7	0	0	0	0	113.8	G211	S209-G211 VanDerWaalsContact C-N 3.32Å
210	S	78.8	Confident	88.9	Confident	85 Å²	85	73.1 Å²	73.1	59%	0.594	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.2	174.1	54	0	0	0	0	114.3	K208 K212	K208-S210 PolarHBondContact O-N 3.45Å; K208-S210 VanDerWaalsContact O-N 3.15Å; S210-K212 PolarHBondContact O-N 2.83Å; S210-K212 PolarHBondContact OG-O 3Å
211	G	84.3	Confident	89.2	Confident	37 Å²	37	71.7 Å²	71.7	38%	0.381	40%	0.398	S	S	.	.	S	Bend	trans	67.3	6.3	-172.2	0	0	0	0	0	114.7	D205 K208 S209	D205-G211 PolarHBondContact N-O 3.23Å; D205-G211 CarbonylContact O-C 3.48Å; D205-G211 WeakPolarHBondContact O-CA 3.45Å; K208-G211 PolarHBondContact O-N 2.93Å; S209-G211 VanDerWaalsContact C-N 3.32Å
212	K	86.9	Confident	89.5	Confident	121 Å²	121	71.7 Å²	71.7	53%	0.526	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.1	-175.5	-61.5	-179.8	-175	175.7	0	110.8	H202 I203 D205 S210	H202-K212 HydrophobicContact CB-CB 4.26Å; H202-K212 HydrophobicContact CB-CD 4.17Å; I203-K212 CarbonylContact O-C 3.51Å; I203-K212 VanDerWaalsContact O-CA 3.29Å; I203-K212 WeakPolarHBondContact O-CA 3.36Å; D205-K212 PolarHBondContact O-N 3.19Å; S210-K212 PolarHBondContact O-N 2.83Å; S210-K212 PolarHBondContact OG-O 3Å
213	R	88.3	Confident	89.8	Confident	97 Å²	97	66.1 Å²	66.1	37%	0.366	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.7	169	69.6	179	-161.3	-173.7	3.6	111.1	E182 H202 I203 D205 K208 V215	E182-R213 IonicContact OE1-CZ 3.95Å; E182-R213 IonicContact OE1-NH2 3.93Å; E182-R213 PolarHBondContact OE1-NH2 3.31Å; H202-R213 WeakPolarHBondContact CA-O 3.24Å; I203-R213 HydrophobicContact CD1-CG 4.22Å; I203-R213 VanDerWaalsContact CD1-NH2 3.27Å; I203-R213 HydrophobicContact CG1-CG 3.55Å; I203-R213 PolarHBondContact N-O 3.31Å; I203-R213 PolarHBondContact O-N 2.89Å; D205-R213 HydrophobicContact CB-CB 3.7Å; D205-R213 HydrophobicContact CB-CG 3.79Å; D205-R213 WeakPolarHBondContact OD2-CB 3.35Å; D205-R213 WeakPolarHBondContact OD2-CD 3Å; K208-R213 HydrophobicContact CG-CB 4.32Å; R213-V215 HydrophobicContact CG-CG1 4.07Å
214	V	89.2	Confident	90.1	Very high	52 Å²	52	71.1 Å²	71.1	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.5	173.8	-178.9	0	0	0	0	108.4	I200 N201 V233 P234	I200-V214 HydrophobicContact CG2-CG1 4.09Å; N201-V214 CarbonylContact O-C 3.51Å; N201-V214 WeakPolarHBondContact O-CA 3.48Å; V214-V233 HydrophobicContact CG1-CG1 4.14Å; V214-P234 HydrophobicContact CG1-CB 4.45Å
215	V	92.9	Very high	90.4	Very high	16 Å²	16	73 Å²	73	10%	0.097	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.3	176.3	-64.9	0	0	0	0	110.3	A181 E182 N201 I203 R213	A181-V215 HydrophobicContact CB-CG2 3.94Å; E182-V215 HydrophobicContact CG-CB 4.21Å; E182-V215 HydrophobicContact CG-CG2 4.12Å; N201-V215 WeakPolarHBondContact CA-O 3.48Å; N201-V215 HydrophobicContact CB-CG2 4.32Å; N201-V215 PolarHBondContact N-O 3.02Å; N201-V215 PolarHBondContact O-N 3.26Å; I203-V215 HydrophobicContact CB-CG2 4.49Å; I203-V215 HydrophobicContact CD1-CG1 3.94Å; I203-V215 HydrophobicContact CD1-CG2 4.1Å; I203-V215 HydrophobicContact CG1-CG1 4.02Å; I203-V215 HydrophobicContact CG1-CG2 3.92Å; I203-V215 HydrophobicContact CG2-CG2 3.94Å; R213-V215 HydrophobicContact CG-CG1 4.07Å
216	G	93.6	Very high	90.8	Very high	3 Å²	3	75.1 Å²	75.1	3%	0.031	40%	0.401	C	S	.	.			trans	-85.4	-169.7	176.4	0	0	0	0	0	113.6	A181 E182 D197 G199 N201 V218	A181-G216 WeakPolarHBondContact CA-O 3.05Å; E182-G216 PolarHBondContact N-O 3.42Å; D197-G216 WeakPolarHBondContact OD2-CA 3.41Å; G199-G216 WeakPolarHBondContact O-CA 3.44Å; N201-G216 PolarHBondContact ND2-O 2.95Å; G216-V218 VanDerWaalsContact C-N 3.28Å
217	D	95.7	Very high	91.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-80.2	-15.3	173.1	-70.3	-22.7	0	0	0	112.2	V176 G177 M178 G179 K180 E182 M183 V184 D197 N201	V176-D217 HydrophobicContact CB-CB 4.43Å; V176-D217 HydrophobicContact CG1-CB 3.48Å; V176-D217 VanDerWaalsContact CG1-CB 3.48Å; G177-D217 VanDerWaalsContact CA-OD2 3.31Å; G177-D217 WeakPolarHBondContact CA-OD2 3.44Å; M178-D217 PolarHBondContact N-OD2 2.83Å; G179-D217 WeakPolarHBondContact CA-OD1 3.5Å; G179-D217 PolarHBondContact N-OD1 2.88Å; G179-D217 PolarHBondContact N-OD2 2.81Å; K180-D217 PolarHBondContact N-OD1 2.71Å; K180-D217 WeakPolarHBondContact O-CA 3.33Å; K180-D217 VanDerWaalsContact O-OD1 3.13Å; E182-D217 CarbonylContact C-O 3.52Å; E182-D217 WeakPolarHBondContact CA-O 3.46Å; M183-D217 PolarHBondContact N-O 2.59Å; V184-D217 PolarHBondContact N-O 2.78Å; D197-D217 PolarHBondContact OD1-N 2.81Å; D197-D217 PolarHBondContact OD2-N 3.15Å; N201-D217 PolarHBondContact ND2-OD1 3.03Å
218	V	96.7	Very high	91.8	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-102.8	135.1	178.4	-172.8	0	0	0	0	109.6	V176 V184 I189 V195 D197 G216 F220 A223 I230	V176-V218 HydrophobicContact CB-CG2 3.91Å; V176-V218 HydrophobicContact CG1-CG2 4.18Å; V176-V218 HydrophobicContact CG2-CG2 3.68Å; V184-V218 HydrophobicContact CB-CB 4.47Å; V184-V218 HydrophobicContact CB-CG1 4.39Å; V184-V218 HydrophobicContact CB-CG2 4.11Å; V184-V218 HydrophobicContact CG1-CG1 4.39Å; V184-V218 HydrophobicContact CG1-CG2 4.47Å; I189-V218 HydrophobicContact CD1-CG1 4.1Å; V195-V218 HydrophobicContact CG1-CG1 4.43Å; V195-V218 HydrophobicContact CG1-CG2 4.16Å; D197-V218 HydrophobicContact CB-CB 4.33Å; D197-V218 HydrophobicContact CB-CG2 3.95Å; D197-V218 WeakPolarHBondContact OD2-CA 3.31Å; D197-V218 VanDerWaalsContact OD2-CB 3.28Å; D197-V218 WeakPolarHBondContact OD2-CB 3.37Å; D197-V218 PolarHBondContact OD2-N 3.37Å; G216-V218 VanDerWaalsContact C-N 3.28Å; V218-F220 PolarHBondContact O-N 3.44Å; V218-A223 HydrophobicContact CG1-CB 3.48Å; V218-A223 VanDerWaalsContact CG1-CB 3.48Å; V218-I230 HydrophobicContact CG1-CD1 3.98Å
219	H	96.4	Very high	92.5	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.25	35%	0.349	C	S	.	.			trans	-71.1	92.7	171.7	-176.6	-104.9	0	0	0	110	E182 V184 K185 A221 S222 A223	E182-H219 HydrophobicContact CB-CB 4.1Å; E182-H219 IonicContact OE1-CD2 3.99Å; E182-H219 IonicContact OE2-CD2 3.56Å; V184-H219 PolarHBondContact O-N 2.84Å; K185-H219 HydrophobicContact CD-CB 4.12Å; H219-A221 VanDerWaalsContact C-N 3.29Å; H219-A221 PolarHBondContact O-N 3.02Å; H219-A221 VanDerWaalsContact O-N 3.17Å; H219-S222 PolarHBondContact ND1-N 2.83Å; H219-S222 PolarHBondContact ND1-OG 3.12Å; H219-S222 PolarHBondContact O-N 3.41Å; H219-A223 WeakPolarHBondContact O-CB 3.26Å; H219-A223 PolarHBondContact O-N 2.9Å
220	F	95.4	Very high	93.3	Very high	84 Å²	84	57.4 Å²	57.4	37%	0.368	31%	0.309	S	S	.	.	H	α-helix	trans	-52.9	-41.5	-168.8	-173.6	-93.3	0	0	0	113.8	V218 A223 K224 I230 P232	V218-F220 PolarHBondContact O-N 3.44Å; F220-A223 PolarHBondContact O-N 2.83Å; F220-K224 HydrophobicContact CE1-CD 4.15Å; F220-K224 VanDerWaalsContact O-CB 3.28Å; F220-K224 WeakPolarHBondContact O-CB 3.48Å; F220-K224 PolarHBondContact O-N 2.94Å; F220-I230 HydrophobicContact CD2-CD1 3.83Å; F220-I230 HydrophobicContact CD2-CG1 3.94Å; F220-I230 HydrophobicContact CD2-CG2 4.29Å; F220-I230 HydrophobicContact CE2-CB 4.43Å; F220-I230 HydrophobicContact CE2-CD1 4.33Å; F220-I230 HydrophobicContact CE2-CG1 3.99Å; F220-I230 HydrophobicContact CE2-CG2 3.75Å; F220-I230 HydrophobicContact CZ-CG2 4.17Å; F220-P232 HydrophobicContact CE2-CB 4.17Å; F220-P232 HydrophobicContact CZ-CB 4.45Å
221	A	95.1	Very high	94.2	Very high	61 Å²	61	53.7 Å²	53.7	50%	0.504	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-48.6	-176.6	0	0	0	0	0	112.5	H219	H219-A221 VanDerWaalsContact C-N 3.29Å; H219-A221 PolarHBondContact O-N 3.02Å; H219-A221 VanDerWaalsContact O-N 3.17Å
222	S	96.4	Very high	94.6	Very high	24 Å²	24	54.8 Å²	54.8	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-78.2	-29.4	179	62.3	0	0	0	0	112.8	G186 H219 E225	G186-S222 PolarHBondContact N-OG 3.47Å; H219-S222 PolarHBondContact ND1-N 2.83Å; H219-S222 PolarHBondContact ND1-OG 3.12Å; H219-S222 PolarHBondContact O-N 3.41Å; S222-E225 PolarHBondContact O-N 3.41Å
223	A	96.2	Very high	94.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-34.7	176	0	0	0	0	0	112.9	I189 V218 H219 F220 E225 Q226 A227 I230	I189-A223 HydrophobicContact CD1-CB 3.43Å; I189-A223 VanDerWaalsContact CD1-CB 3.43Å; V218-A223 HydrophobicContact CG1-CB 3.48Å; V218-A223 VanDerWaalsContact CG1-CB 3.48Å; H219-A223 WeakPolarHBondContact O-CB 3.26Å; H219-A223 PolarHBondContact O-N 2.9Å; F220-A223 PolarHBondContact O-N 2.83Å; A223-E225 PolarHBondContact O-N 2.73Å; A223-Q226 PolarHBondContact O-N 3.08Å; A223-Q226 VanDerWaalsContact O-N 3.11Å; A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 3.16Å; A223-I230 HydrophobicContact CB-CD1 3.41Å; A223-I230 VanDerWaalsContact CB-CD1 3.41Å
224	K	96	Very high	94.5	Very high	142 Å²	142	50.5 Å²	50.5	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-61	-26.6	176.4	-175.9	179.5	177	-174.3	0	113.3	F220 I230	F220-K224 HydrophobicContact CE1-CD 4.15Å; F220-K224 VanDerWaalsContact O-CB 3.28Å; F220-K224 WeakPolarHBondContact O-CB 3.48Å; F220-K224 PolarHBondContact O-N 2.94Å; K224-I230 HydrophobicContact CB-CG2 4.26Å
225	E	95.9	Very high	94.2	Very high	159 Å²	159	50.6 Å²	50.6	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-76.6	-23.1	177.8	-63.3	179.6	176.2	0	0	112.9	S222 A223	S222-E225 PolarHBondContact O-N 3.41Å; A223-E225 PolarHBondContact O-N 2.73Å
226	Q	95.5	Very high	93.9	Very high	71 Å²	71	50.1 Å²	50.1	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-108.4	-42.1	-174.9	-63.3	-65.5	-11.1	0	0	113.3	G186 I189 K191 G192 A223	G186-Q226 WeakPolarHBondContact O-CG 3.46Å; I189-Q226 HydrophobicContact CB-CB 4.43Å; K191-Q226 WeakPolarHBondContact CA-O 3.24Å; G192-Q226 PolarHBondContact N-O 2.69Å; A223-Q226 PolarHBondContact O-N 3.08Å; A223-Q226 VanDerWaalsContact O-N 3.11Å
227	A	96.7	Very high	93.8	Very high	14 Å²	14	50.5 Å²	50.5	12%	0.116	29%	0.291	C	S	.	.			trans	-71.1	142.1	-176.8	0	0	0	0	0	111.4	I189 A193 V195 A223 F229 I230	I189-A227 HydrophobicContact CG2-CB 4.39Å; A193-A227 CarbonylContact O-C 3.53Å; A193-A227 WeakPolarHBondContact O-CA 3.38Å; V195-A227 HydrophobicContact CB-CB 4.32Å; V195-A227 HydrophobicContact CG2-CB 3.62Å; A223-A227 VanDerWaalsContact O-CB 3.28Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 3.16Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 WeakPolarHBondContact CB-O 3.3Å; A227-I230 HydrophobicContact CB-CB 4.36Å
228	G	96.1	Very high	93.5	Very high	42 Å²	42	51.5 Å²	51.5	43%	0.433	30%	0.302	S	S	.	.	S	Bend	trans	-69.2	-34.1	169.1	0	0	0	0	0	111.4	A193	A193-G228 PolarHBondContact O-N 3.04Å
229	F	97.4	Very high	93.2	Very high	111 Å²	111	54.2 Å²	54.2	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.7	174.9	-66.1	-90.9	0	0	0	109.9	T121 A193 V194 V195 A227	T121-F229 HydrophobicContact CG2-CB 3.85Å; T121-F229 HydrophobicContact CG2-CD1 3.82Å; T121-F229 HydrophobicContact CG2-CD2 3.69Å; T121-F229 HydrophobicContact CG2-CE1 4.28Å; T121-F229 HydrophobicContact CG2-CE2 4.17Å; T121-F229 HydrophobicContact CG2-CG 3.5Å; T121-F229 VanDerWaalsContact CG2-CG 3.5Å; T121-F229 HydrophobicContact CG2-CZ 4.44Å; A193-F229 PolarHBondContact O-N 3.09Å; V194-F229 HydrophobicContact CG1-CB 4.44Å; V194-F229 HydrophobicContact CG2-CB 4.43Å; V194-F229 HydrophobicContact CG2-CD2 4.1Å; V195-F229 PolarHBondContact N-O 2.98Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 WeakPolarHBondContact CB-O 3.3Å
230	I	96.4	Very high	93	Very high	30 Å²	30	53.7 Å²	53.7	15%	0.154	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.4	172.1	-178.7	164.5	0	0	0	111.2	V195 V218 F220 A223 K224 A227	V195-I230 HydrophobicContact CB-CB 4.29Å; V195-I230 HydrophobicContact CB-CG1 4.26Å; V195-I230 HydrophobicContact CG1-CD1 4.22Å; V195-I230 HydrophobicContact CG1-CG1 4.25Å; V195-I230 VanDerWaalsContact O-CA 3.31Å; V195-I230 WeakPolarHBondContact O-CA 3.33Å; V218-I230 HydrophobicContact CG1-CD1 3.98Å; F220-I230 HydrophobicContact CD2-CD1 3.83Å; F220-I230 HydrophobicContact CD2-CG1 3.94Å; F220-I230 HydrophobicContact CD2-CG2 4.29Å; F220-I230 HydrophobicContact CE2-CB 4.43Å; F220-I230 HydrophobicContact CE2-CD1 4.33Å; F220-I230 HydrophobicContact CE2-CG1 3.99Å; F220-I230 HydrophobicContact CE2-CG2 3.75Å; F220-I230 HydrophobicContact CZ-CG2 4.17Å; A223-I230 HydrophobicContact CB-CD1 3.41Å; A223-I230 VanDerWaalsContact CB-CD1 3.41Å; K224-I230 HydrophobicContact CB-CG2 4.26Å; A227-I230 HydrophobicContact CB-CB 4.36Å
231	T	95.9	Very high	92.9	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.049	31%	0.308	C	S	.	.			trans	-74.9	135.4	174.8	55.2	0	0	0	0	112	L117 V195 I196 D197 V237	L117-T231 HydrophobicContact CD1-CG2 3.86Å; V195-T231 PolarHBondContact O-N 3.17Å; I196-T231 HydrophobicContact CD1-CG2 3.64Å; I196-T231 HydrophobicContact CG2-CG2 4.19Å; D197-T231 PolarHBondContact N-OG1 3.37Å; T231-V237 HydrophobicContact CG2-CG2 4.36Å
232	P	92.9	Very high	92.8	Very high	60 Å²	60	48.5 Å²	48.5	39%	0.39	29%	0.287	S	S	.	.			trans	-74.6	147.4	173.3	31.1	-34	0	0	0	111.7	F220 P234 G236	F220-P232 HydrophobicContact CE2-CB 4.17Å; F220-P232 HydrophobicContact CZ-CB 4.45Å; P232-P234 CarbonylContact O-C 3.38Å; P232-G236 WeakPolarHBondContact O-CA 3.26Å; P232-G236 PolarHBondContact O-N 3.15Å
233	V	89.8	Confident	92.7	Very high	29 Å²	29	49.5 Å²	49.5	18%	0.176	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	114.9	171.2	-178.8	0	0	0	0	108.7	D197 G199 V214	D197-V233 HydrophobicContact CB-CG2 3.97Å; G199-V233 WeakPolarHBondContact O-CG1 3.41Å; V214-V233 HydrophobicContact CG1-CG1 4.14Å
234	P	84.4	Confident	92.7	Very high	99 Å²	99	51.1 Å²	51.1	64%	0.643	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	cis	-77.3	167.1	-1.3	34.1	-35.1	0	0	0	112.9	V214 P232	V214-P234 HydrophobicContact CG1-CB 4.45Å; P232-P234 CarbonylContact O-C 3.38Å
235	G	82.5	Confident	92.6	Very high	53 Å²	53	44.5 Å²	44.5	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.1	-10.5	168	0	0	0	0	0	116.5
236	G	86.8	Confident	92.6	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	24%	0.243	C	C	.	.	S	Bend	trans	-86.3	-90.5	176.3	0	0	0	0	0	113.2	P232 P239	P232-G236 WeakPolarHBondContact O-CA 3.26Å; P232-G236 PolarHBondContact O-N 3.15Å; G236-P239 WeakPolarHBondContact O-CD 3.43Å
237	V	91.6	Very high	92.6	Very high	10 Å²	10	36 Å²	36	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-37.5	-170	-178.2	0	0	0	0	113.1	T110 L117 I196 D197 T231 M240 T241	T110-V237 HydrophobicContact CG2-CG1 3.65Å; L117-V237 HydrophobicContact CD1-CG2 4.2Å; I196-V237 HydrophobicContact CG2-CG2 3.58Å; D197-V237 WeakPolarHBondContact O-CG2 3.47Å; T231-V237 HydrophobicContact CG2-CG2 4.36Å; V237-M240 CarbonylContact O-C 3.6Å; V237-M240 WeakPolarHBondContact O-CA 3.17Å; V237-M240 WeakPolarHBondContact O-CB 3.3Å; V237-M240 PolarHBondContact O-N 2.75Å; V237-T241 PolarHBondContact O-N 2.73Å; V237-T241 PolarHBondContact O-OG1 3.44Å
238	G	89	Confident	92.6	Very high	21 Å²	21	35.9 Å²	35.9	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-52.5	-175.9	0	0	0	0	0	114.9	M240 T241 V242	G238-M240 VanDerWaalsContact C-N 3.26Å; G238-M240 PolarHBondContact O-N 3.37Å; G238-T241 WeakPolarHBondContact O-CB 3.24Å; G238-T241 PolarHBondContact O-N 3.2Å; G238-V242 PolarHBondContact O-N 3.27Å
239	P	90.3	Very high	92.6	Very high	59 Å²	59	35 Å²	35	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-56.5	-38	173.2	-28.4	36.2	0	0	0	113.5	G236 V242 A243	G236-P239 WeakPolarHBondContact O-CD 3.43Å; P239-V242 PolarHBondContact O-N 3.26Å; P239-A243 PolarHBondContact O-N 3.02Å
240	M	93.3	Very high	92.4	Very high	43 Å²	43	32.9 Å²	32.9	21%	0.212	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-37.1	177	-65.4	-56.4	-59.9	0	0	112.3	E116 L117 V237 G238 V242 A243 M244	E116-M240 HydrophobicContact CB-CE 3.87Å; E116-M240 HydrophobicContact CG-CE 3.41Å; E116-M240 VanDerWaalsContact CG-CE 3.41Å; L117-M240 HydrophobicContact CD1-CB 4.41Å; L117-M240 HydrophobicContact CD1-CG 3.91Å; L117-M240 HydrophobicContact CD2-CG 3.88Å; L117-M240 HydrophobicContact CD2-SD 4.49Å; L117-M240 HydrophobicContact CG-CG 3.83Å; V237-M240 CarbonylContact O-C 3.6Å; V237-M240 WeakPolarHBondContact O-CA 3.17Å; V237-M240 WeakPolarHBondContact O-CB 3.3Å; V237-M240 PolarHBondContact O-N 2.75Å; G238-M240 VanDerWaalsContact C-N 3.26Å; G238-M240 PolarHBondContact O-N 3.37Å; M240-V242 VanDerWaalsContact C-N 3.29Å; M240-V242 PolarHBondContact O-N 3.37Å; M240-A243 PolarHBondContact O-N 3.33Å; M240-M244 HydrophobicContact CE-CE 4.18Å; M240-M244 VanDerWaalsContact O-CG 3.3Å; M240-M244 WeakPolarHBondContact O-CG 3.41Å; M240-M244 PolarHBondContact O-N 3.43Å
241	T	92.6	Very high	92.3	Very high	26 Å²	26	34.3 Å²	34.3	16%	0.16	23%	0.234	C	C	.	.	H	α-helix	trans	-56.5	-44.5	170.9	-58.6	0	0	0	0	110.9	C109 T110 V237 G238 M244 L245	C109-T241 HydrophobicContact CB-CG2 3.72Å; T110-T241 WeakPolarHBondContact OG1-CG2 3.34Å; T110-T241 PolarHBondContact OG1-OG1 3.35Å; V237-T241 PolarHBondContact O-N 2.73Å; V237-T241 PolarHBondContact O-OG1 3.44Å; G238-T241 WeakPolarHBondContact O-CB 3.24Å; G238-T241 PolarHBondContact O-N 3.2Å; T241-M244 PolarHBondContact O-N 2.82Å; T241-L245 WeakPolarHBondContact O-CB 3.5Å; T241-L245 PolarHBondContact O-N 3.07Å
242	V	93.2	Very high	92.2	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-41.1	177.2	179.6	0	0	0	0	111.1	K18 A21 G238 P239 M240 L245 M246	K18-V242 HydrophobicContact CG-CG1 4.33Å; K18-V242 HydrophobicContact CG-CG2 4.16Å; A21-V242 HydrophobicContact CB-CG1 3.63Å; G238-V242 PolarHBondContact O-N 3.27Å; P239-V242 PolarHBondContact O-N 3.26Å; M240-V242 VanDerWaalsContact C-N 3.29Å; M240-V242 PolarHBondContact O-N 3.37Å; V242-L245 WeakPolarHBondContact O-CB 3.47Å; V242-L245 PolarHBondContact O-N 2.9Å; V242-M246 HydrophobicContact CG1-CE 4.06Å; V242-M246 WeakPolarHBondContact O-CG 2.94Å; V242-M246 PolarHBondContact O-N 3.09Å; V242-M246 VanDerWaalsContact O-N 3.11Å
243	A	94.1	Very high	92.1	Very high	45 Å²	45	32.5 Å²	32.5	37%	0.372	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-44.3	176.7	0	0	0	0	0	112.3	P239 M240 L245 M246 G247	P239-A243 PolarHBondContact O-N 3.02Å; M240-A243 PolarHBondContact O-N 3.33Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.12Å; A243-M246 PolarHBondContact O-N 2.78Å; A243-G247 PolarHBondContact O-N 3.3Å
244	M	95.8	Very high	92.2	Very high	34 Å²	34	37 Å²	37	17%	0.167	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-35.5	177.7	-65.5	-56.2	97.8	0	0	112.2	C109 N112 M240 T241 M246 G247 N248	C109-M244 HydrophobicContact CB-CB 4.08Å; N112-M244 HydrophobicContact CB-CB 4.36Å; N112-M244 HydrophobicContact CB-CG 3.95Å; N112-M244 HydrophobicContact CB-SD 4.19Å; N112-M244 PolarHBondContact ND2-SD 3.49Å; N112-M244 VanDerWaalsContact ND2-SD 3.41Å; M240-M244 HydrophobicContact CE-CE 4.18Å; M240-M244 VanDerWaalsContact O-CG 3.3Å; M240-M244 WeakPolarHBondContact O-CG 3.41Å; M240-M244 PolarHBondContact O-N 3.43Å; T241-M244 PolarHBondContact O-N 2.82Å; M244-M246 VanDerWaalsContact C-N 3.34Å; M244-M246 PolarHBondContact O-N 2.87Å; M244-G247 PolarHBondContact O-N 3.17Å; M244-N248 WeakPolarHBondContact O-CB 3.23Å; M244-N248 PolarHBondContact O-N 3.37Å
245	L	95.4	Very high	92.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-44.7	172.4	171.9	63.1	0	0	0	111.9	F2 K18 I60 V86 C109 T241 V242 A243 N248 T249	F2-L245 HydrophobicContact CE1-CD2 4.1Å; K18-L245 HydrophobicContact CD-CD2 3.94Å; K18-L245 HydrophobicContact CG-CD2 4.07Å; I60-L245 HydrophobicContact CD1-CD1 3.34Å; I60-L245 HydrophobicContact CD1-CD2 3.49Å; I60-L245 VanDerWaalsContact CD1-CD2 3.49Å; I60-L245 HydrophobicContact CD1-CG 4.02Å; I60-L245 HydrophobicContact CG1-CD1 4.01Å; V86-L245 HydrophobicContact CB-CD1 4.01Å; V86-L245 HydrophobicContact CG2-CD1 3.47Å; V86-L245 VanDerWaalsContact CG2-CD1 3.47Å; C109-L245 WeakPolarHBondContact SG-CA 3.36Å; T241-L245 WeakPolarHBondContact O-CB 3.5Å; T241-L245 PolarHBondContact O-N 3.07Å; V242-L245 WeakPolarHBondContact O-CB 3.47Å; V242-L245 PolarHBondContact O-N 2.9Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.12Å; L245-N248 PolarHBondContact O-N 3.48Å; L245-T249 WeakPolarHBondContact O-CB 3.4Å; L245-T249 PolarHBondContact O-N 3.11Å; L245-T249 PolarHBondContact O-OG1 2.68Å
246	M	95.5	Very high	92.6	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-42.8	175	-62.7	-51	147.7	0	0	111.1	F2 K18 A21 A22 I25 I27 V242 A243 M244 T249 V250	F2-M246 HydrophobicContact CZ-CE 4.3Å; K18-M246 HydrophobicContact CB-CE 4.4Å; K18-M246 WeakPolarHBondContact O-CE 2.99Å; A21-M246 HydrophobicContact CB-CE 4.27Å; A22-M246 HydrophobicContact CB-CE 4.07Å; A22-M246 HydrophobicContact CB-SD 4.01Å; I25-M246 HydrophobicContact CD1-CB 3.5Å; I25-M246 VanDerWaalsContact CD1-CB 3.5Å; I25-M246 HydrophobicContact CD1-CG 3.62Å; I25-M246 HydrophobicContact CD1-SD 4.13Å; I27-M246 HydrophobicContact CD1-CB 4.28Å; I27-M246 HydrophobicContact CD1-SD 3.92Å; V242-M246 HydrophobicContact CG1-CE 4.06Å; V242-M246 WeakPolarHBondContact O-CG 2.94Å; V242-M246 PolarHBondContact O-N 3.09Å; V242-M246 VanDerWaalsContact O-N 3.11Å; A243-M246 PolarHBondContact O-N 2.78Å; M244-M246 VanDerWaalsContact C-N 3.34Å; M244-M246 PolarHBondContact O-N 2.87Å; M246-T249 WeakPolarHBondContact O-CB 3.43Å; M246-T249 PolarHBondContact O-N 2.96Å; M246-V250 WeakPolarHBondContact O-CG2 3.33Å; M246-V250 PolarHBondContact O-N 3.01Å
247	G	95.4	Very high	92.4	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-48.6	174.7	0	0	0	0	0	112.9	A243 M244 T249 V250 L251	A243-G247 PolarHBondContact O-N 3.3Å; M244-G247 PolarHBondContact O-N 3.17Å; G247-T249 VanDerWaalsContact C-N 3.3Å; G247-T249 PolarHBondContact O-N 2.89Å; G247-V250 PolarHBondContact O-N 3.25Å; G247-L251 WeakPolarHBondContact O-CB 3.37Å; G247-L251 PolarHBondContact O-N 3.33Å
248	N	96	Very high	91.9	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-36.7	175.6	-79.4	-5.5	0	0	0	111.7	V86 F106 I107 M244 L245 L251 S252	V86-N248 HydrophobicContact CB-CB 4Å; V86-N248 HydrophobicContact CG1-CB 4.41Å; V86-N248 VanDerWaalsContact O-CB 3.23Å; V86-N248 WeakPolarHBondContact O-CB 3.14Å; V86-N248 PolarHBondContact O-ND2 3.4Å; F106-N248 HydrophobicContact CD1-CB 4.05Å; F106-N248 WeakPolarHBondContact CE1-O 3.1Å; I107-N248 PolarHBondContact O-ND2 3.5Å; M244-N248 WeakPolarHBondContact O-CB 3.23Å; M244-N248 PolarHBondContact O-N 3.37Å; L245-N248 PolarHBondContact O-N 3.48Å; N248-L251 PolarHBondContact O-N 3.05Å; N248-S252 WeakPolarHBondContact O-CB 3.04Å; N248-S252 PolarHBondContact O-N 3.11Å
249	T	95.3	Very high	91	Very high	24 Å²	24	51.7 Å²	51.7	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-42.1	175.4	-55.6	0	0	0	0	111.7	I27 L245 M246 G247 S252 A253	I27-T249 HydrophobicContact CD1-CG2 4.26Å; L245-T249 WeakPolarHBondContact O-CB 3.4Å; L245-T249 PolarHBondContact O-N 3.11Å; L245-T249 PolarHBondContact O-OG1 2.68Å; M246-T249 WeakPolarHBondContact O-CB 3.43Å; M246-T249 PolarHBondContact O-N 2.96Å; G247-T249 VanDerWaalsContact C-N 3.3Å; G247-T249 PolarHBondContact O-N 2.89Å; T249-S252 PolarHBondContact O-N 2.82Å; T249-A253 PolarHBondContact O-N 3.33Å
250	V	94.6	Very high	90	Very high	66 Å²	66	53.8 Å²	53.8	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-42.3	173.8	173.7	0	0	0	0	111.1	I27 M246 G247 S252 A253 K254	I27-V250 HydrophobicContact CD1-CG2 4.14Å; M246-V250 WeakPolarHBondContact O-CG2 3.33Å; M246-V250 PolarHBondContact O-N 3.01Å; G247-V250 PolarHBondContact O-N 3.25Å; V250-S252 VanDerWaalsContact C-N 3.31Å; V250-S252 PolarHBondContact O-N 3.45Å; V250-A253 PolarHBondContact O-N 3.24Å; V250-K254 HydrophobicContact CG1-CD 4.4Å; V250-K254 WeakPolarHBondContact O-CG 3.48Å; V250-K254 PolarHBondContact O-N 3.19Å
251	L	93.6	Very high	88.8	Confident	61 Å²	61	58 Å²	58	32%	0.319	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-42.6	176	177.9	61.5	0	0	0	111.4	F106 G247 N248 K254 R255	F106-L251 HydrophobicContact CD1-CD2 4.29Å; F106-L251 HydrophobicContact CE1-CB 4.28Å; F106-L251 HydrophobicContact CE1-CD2 4.1Å; F106-L251 HydrophobicContact CE1-CG 4.1Å; G247-L251 WeakPolarHBondContact O-CB 3.37Å; G247-L251 PolarHBondContact O-N 3.33Å; N248-L251 PolarHBondContact O-N 3.05Å; L251-K254 PolarHBondContact O-N 2.72Å; L251-R255 HydrophobicContact CD1-CG 4.37Å; L251-R255 WeakPolarHBondContact O-CG 3.27Å; L251-R255 PolarHBondContact O-N 3.04Å
252	S	93.9	Very high	87.6	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-45.7	175.5	-179.5	0	0	0	0	112.1	H57 E83 N248 T249 V250 K254 R255 F256	H57-S252 WeakPolarHBondContact O-CB 3.41Å; H57-S252 PolarHBondContact O-OG 3.32Å; E83-S252 PolarHBondContact O-OG 3.48Å; N248-S252 WeakPolarHBondContact O-CB 3.04Å; N248-S252 PolarHBondContact O-N 3.11Å; T249-S252 PolarHBondContact O-N 2.82Å; V250-S252 VanDerWaalsContact C-N 3.31Å; V250-S252 PolarHBondContact O-N 3.45Å; S252-K254 VanDerWaalsContact C-N 3.3Å; S252-K254 PolarHBondContact O-N 2.87Å; S252-R255 PolarHBondContact O-N 2.61Å; S252-F256 WeakPolarHBondContact O-CB 3.5Å; S252-F256 PolarHBondContact O-N 3.16Å
253	A	91.3	Very high	86.8	Confident	25 Å²	25	64.1 Å²	64.1	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-39.1	175.1	0	0	0	0	0	112.2	H57 T249 V250 F256 L257	H57-A253 HydrophobicContact CB-CB 3.96Å; T249-A253 PolarHBondContact O-N 3.33Å; V250-A253 PolarHBondContact O-N 3.24Å; A253-F256 WeakPolarHBondContact O-CB 3.28Å; A253-F256 PolarHBondContact O-N 2.72Å; A253-L257 VanDerWaalsContact O-CG 3.3Å; A253-L257 WeakPolarHBondContact O-CG 3.47Å; A253-L257 PolarHBondContact O-N 3.23Å
254	K	90.7	Very high	86.3	Confident	124 Å²	124	66.8 Å²	66.8	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-51.3	174.4	-72.9	177.5	177.7	-176.7	0	112	V250 L251 S252 F256 L257 E258	V250-K254 HydrophobicContact CG1-CD 4.4Å; V250-K254 WeakPolarHBondContact O-CG 3.48Å; V250-K254 PolarHBondContact O-N 3.19Å; L251-K254 PolarHBondContact O-N 2.72Å; S252-K254 VanDerWaalsContact C-N 3.3Å; S252-K254 PolarHBondContact O-N 2.87Å; K254-F256 PolarHBondContact O-N 3.32Å; K254-L257 PolarHBondContact O-N 3.27Å; K254-L257 VanDerWaalsContact O-N 3.09Å; K254-E258 WeakPolarHBondContact O-CG 3.08Å; K254-E258 PolarHBondContact O-N 3.29Å
255	R	89.5	Confident	86	Confident	46 Å²	46	66.9 Å²	66.9	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-37.2	176.3	-74.3	178.6	172.8	163.6	-2.3	111.7	G103 C105 L251 S252 N259	G103-R255 PolarHBondContact O-NH2 3.36Å; C105-R255 PolarHBondContact O-NH1 2.94Å; C105-R255 PolarHBondContact O-NH2 3.17Å; C105-R255 VanDerWaalsContact O-NH2 3.16Å; L251-R255 HydrophobicContact CD1-CG 4.37Å; L251-R255 WeakPolarHBondContact O-CG 3.27Å; L251-R255 PolarHBondContact O-N 3.04Å; S252-R255 PolarHBondContact O-N 2.61Å; R255-N259 PolarHBondContact O-N 3.49Å; R255-N259 PolarHBondContact O-ND2 3.47Å
256	F	86.2	Confident	85.6	Confident	56 Å²	56	70 Å²	70	25%	0.246	40%	0.403	C	S	.	.	H	α-helix	trans	-61.7	-50.8	174.1	177.7	-97.5	0	0	0	110.8	H57 S252 A253 K254 E258 N259 H260	H57-F256 AromaticContact CD2-CD1 3.75Å; H57-F256 AromaticContact CD2-CG 3.78Å; H57-F256 AromaticContact NE2-CD1 3.47Å; H57-F256 WeakPolarHBondContact NE2-CD1 3.44Å; H57-F256 AromaticContact NE2-CE1 3.87Å; H57-F256 AromaticContact NE2-CG 3.99Å; S252-F256 WeakPolarHBondContact O-CB 3.5Å; S252-F256 PolarHBondContact O-N 3.16Å; A253-F256 WeakPolarHBondContact O-CB 3.28Å; A253-F256 PolarHBondContact O-N 2.72Å; K254-F256 PolarHBondContact O-N 3.32Å; F256-E258 PolarHBondContact O-N 2.8Å; F256-N259 PolarHBondContact O-N 2.76Å; F256-H260 HydrophobicContact CD1-CB 4.39Å; F256-H260 HydrophobicContact CD2-CB 4.44Å; F256-H260 AromaticContact CD2-CE1 3.84Å; F256-H260 AromaticContact CD2-CG 3.9Å; F256-H260 AromaticContact CD2-ND1 3.51Å; F256-H260 HydrophobicContact CE1-CB 4.03Å; F256-H260 HydrophobicContact CE2-CB 4.09Å; F256-H260 AromaticContact CE2-CD2 3.69Å; F256-H260 AromaticContact CE2-CE1 3.78Å; F256-H260 AromaticContact CE2-CG 3.52Å; F256-H260 AromaticContact CE2-ND1 3.58Å; F256-H260 AromaticContact CE2-NE2 3.86Å; F256-H260 HydrophobicContact CZ-CB 3.87Å; F256-H260 AromaticContact CZ-CG 3.78Å; F256-H260 VanDerWaalsContact O-CB 3.24Å; F256-H260 WeakPolarHBondContact O-CB 3.39Å; F256-H260 PolarHBondContact O-N 3.2Å; F256-H260 PolarHBondContact O-ND1 3.41Å; F256-H260 VanDerWaalsContact O-ND1 3.12Å
257	L	83.1	Confident	85.4	Confident	122 Å²	122	70.4 Å²	70.4	64%	0.639	41%	0.405	S	S	*	.	H	α-helix	trans	-66.6	-30.4	179.9	-69	171.6	0	0	0	114.1	A253 K254 N259	A253-L257 VanDerWaalsContact O-CG 3.3Å; A253-L257 WeakPolarHBondContact O-CG 3.47Å; A253-L257 PolarHBondContact O-N 3.23Å; K254-L257 PolarHBondContact O-N 3.27Å; K254-L257 VanDerWaalsContact O-N 3.09Å; L257-N259 VanDerWaalsContact C-N 3.29Å
258	E	81.3	Confident	85.3	Confident	150 Å²	150	70.3 Å²	70.3	70%	0.701	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-35.6	173.8	-75.3	168.8	-176.2	0	0	111.9	K254 F256	K254-E258 WeakPolarHBondContact O-CG 3.08Å; K254-E258 PolarHBondContact O-N 3.29Å; F256-E258 PolarHBondContact O-N 2.8Å
259	N	70.3	Confident	85.3	Confident	124 Å²	124	71.8 Å²	71.8	66%	0.663	40%	0.403	S	S	*	.	H	α-helix	trans	-99.8	-18	-176.3	-65.9	-59.1	0	0	0	113.7	R255 F256 L257	R255-N259 PolarHBondContact O-N 3.49Å; R255-N259 PolarHBondContact O-ND2 3.47Å; F256-N259 PolarHBondContact O-N 2.76Å; L257-N259 VanDerWaalsContact C-N 3.29Å
260	H	69.1	Low	85.3	Confident	103 Å²	103	72.6 Å²	72.6	48%	0.477	41%	0.407	S	S	.	.			trans	-120.1	103.6	-178.1	-64.9	75	0	0	0	110.2	F256	F256-H260 HydrophobicContact CD1-CB 4.39Å; F256-H260 HydrophobicContact CD2-CB 4.44Å; F256-H260 AromaticContact CD2-CE1 3.84Å; F256-H260 AromaticContact CD2-CG 3.9Å; F256-H260 AromaticContact CD2-ND1 3.51Å; F256-H260 HydrophobicContact CE1-CB 4.03Å; F256-H260 HydrophobicContact CE2-CB 4.09Å; F256-H260 AromaticContact CE2-CD2 3.69Å; F256-H260 AromaticContact CE2-CE1 3.78Å; F256-H260 AromaticContact CE2-CG 3.52Å; F256-H260 AromaticContact CE2-ND1 3.58Å; F256-H260 AromaticContact CE2-NE2 3.86Å; F256-H260 HydrophobicContact CZ-CB 3.87Å; F256-H260 AromaticContact CZ-CG 3.78Å; F256-H260 VanDerWaalsContact O-CB 3.24Å; F256-H260 WeakPolarHBondContact O-CB 3.39Å; F256-H260 PolarHBondContact O-N 3.2Å; F256-H260 PolarHBondContact O-ND1 3.41Å; F256-H260 VanDerWaalsContact O-ND1 3.12Å
261	Q	68.1	Low	85.2	Confident	131 Å²	131	79.2 Å²	79.2	61%	0.612	43%	0.43	S	S	*	.			trans	-83.4	119.9	168.1	-169.3	173.9	17.8	0	0	108.6	G263 K264	Q261-G263 PolarHBondContact O-N 3.35Å; Q261-K264 HydrophobicContact CB-CB 4.18Å; Q261-K264 PolarHBondContact O-N 2.8Å
262	A	68.3	Low	85.2	Confident	105 Å²	105	78.2 Å²	78.2	87%	0.868	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	128.1	-179.7	0	0	0	0	0	110.8	K264	A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.53Å
263	G	74.7	Confident	85.1	Confident	60 Å²	60	82.5 Å²	82.5	62%	0.619	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	5	-179.1	0	0	0	0	0	115.6	Q261 N366	Q261-G263 PolarHBondContact O-N 3.35Å; G263-N366 PolarHBondContact O-ND2 3.07Å
264	K	83.7	Confident	85.3	Confident	101 Å²	101	85.1 Å²	85.1	44%	0.439	47%	0.465	S	S	.	.			trans	-122.7	133.3	175.5	-169.5	176.1	-176.6	176.4	0	111.4	Q261 A262	Q261-K264 HydrophobicContact CB-CB 4.18Å; Q261-K264 PolarHBondContact O-N 2.8Å; A262-K264 VanDerWaalsContact C-N 3.33Å; A262-K264 PolarHBondContact O-N 2.53Å
265	W	91.1	Very high	85.6	Confident	36 Å²	36	84.1 Å²	84.1	14%	0.136	46%	0.462	C	S	.	.			trans	-80.9	138.3	178.3	-64.1	-19	0	0	0	112.7	I267 E299 V300 N366 F368 P593 L620 V621	W265-I267 HydrophobicContact CB-CB 4.28Å; W265-I267 HydrophobicContact CB-CG2 4.12Å; W265-I267 PolarHBondContact O-N 2.95Å; W265-I267 VanDerWaalsContact O-N 3.09Å; W265-E299 WeakPolarHBondContact CB-O 3.22Å; W265-V300 HydrophobicContact CD2-CB 4.21Å; W265-V300 HydrophobicContact CD2-CG1 4.29Å; W265-V300 HydrophobicContact CE3-CB 4.19Å; W265-V300 HydrophobicContact CE3-CG1 3.83Å; W265-V300 HydrophobicContact CH2-CB 3.9Å; W265-V300 HydrophobicContact CH2-CG1 4.05Å; W265-V300 HydrophobicContact CZ2-CB 3.92Å; W265-V300 HydrophobicContact CZ2-CG1 4.48Å; W265-V300 HydrophobicContact CZ3-CB 4.06Å; W265-V300 HydrophobicContact CZ3-CG1 3.71Å; W265-V300 PolarHBondContact NE1-O 3.47Å; W265-N366 HydrophobicContact CD2-CB 3.94Å; W265-N366 HydrophobicContact CE3-CB 3.97Å; W265-N366 HydrophobicContact CH2-CB 4.4Å; W265-N366 HydrophobicContact CZ2-CB 4.37Å; W265-N366 HydrophobicContact CZ3-CB 4.2Å; W265-N366 PolarHBondContact N-OD1 3.31Å; W265-F368 AromaticContact CH2-CD2 3.75Å; W265-F368 HydrophobicContact CH2-CD2 3.75Å; W265-F368 AromaticContact CH2-CE2 3.91Å; W265-F368 HydrophobicContact CH2-CE2 3.91Å; W265-F368 HydrophobicContact CZ3-CD2 4.3Å; W265-P593 HydrophobicContact CH2-CG 4.5Å; W265-P593 HydrophobicContact CZ3-CG 3.9Å; W265-L620 HydrophobicContact CZ2-CB 4.02Å; W265-L620 VanDerWaalsContact CZ2-O 3.28Å; W265-L620 WeakPolarHBondContact CZ2-O 3.28Å; W265-V621 HydrophobicContact CH2-CB 4.44Å; W265-V621 HydrophobicContact CH2-CG1 3.62Å; W265-V621 HydrophobicContact CZ2-CG1 4.13Å; W265-V621 HydrophobicContact CZ3-CG1 4.35Å
266	G	85.6	Confident	85.7	Confident	70 Å²	70	90.5 Å²	90.5	72%	0.722	49%	0.491	S	S	*	.			trans	-79.9	37.2	169.5	0	0	0	0	0	113
267	I	92.4	Very high	86	Confident	19 Å²	19	93.7 Å²	93.7	10%	0.097	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-72.9	129.9	-173.3	-173.9	173.3	0	0	0	111.3	W265 Y269 L296 E299 V300	W265-I267 HydrophobicContact CB-CB 4.28Å; W265-I267 HydrophobicContact CB-CG2 4.12Å; W265-I267 PolarHBondContact O-N 2.95Å; W265-I267 VanDerWaalsContact O-N 3.09Å; I267-Y269 HydrophobicContact CD1-CE1 3.93Å; I267-Y269 HydrophobicContact CG1-CE1 4.35Å; I267-Y269 HydrophobicContact CG2-CD2 4.28Å; I267-Y269 HydrophobicContact CG2-CE1 4.19Å; I267-Y269 HydrophobicContact CG2-CE2 3.45Å; I267-Y269 VanDerWaalsContact CG2-CE2 3.45Å; I267-Y269 VanDerWaalsContact CG2-OH 3.25Å; I267-Y269 WeakPolarHBondContact CG2-OH 3.03Å; I267-L296 HydrophobicContact CD1-CD1 3.89Å; I267-E299 HydrophobicContact CB-CB 4.22Å; I267-E299 HydrophobicContact CG1-CB 4.29Å; I267-E299 WeakPolarHBondContact CG1-OE2 3.45Å; I267-V300 HydrophobicContact CD1-CG1 4.46Å
268	S	93.3	Very high	86.6	Confident	39 Å²	39	89.5 Å²	89.5	27%	0.273	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-91.5	120.1	172.4	68.5	0	0	0	0	110	K291 R295 E299	S268-K291 WeakPolarHBondContact O-CE 3.46Å; S268-K291 PolarHBondContact O-NZ 3.23Å; S268-R295 VanDerWaalsContact OG-CZ 3.26Å; S268-R295 PolarHBondContact OG-NH2 2.96Å; S268-E299 PolarHBondContact N-OE2 2.97Å; S268-E299 PolarHBondContact OG-OE1 3.09Å; S268-E299 VanDerWaalsContact OG-OE1 3.12Å
269	Y	95.4	Very high	87.2	Confident	41 Å²	41	84 Å²	84	16%	0.161	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-88.9	145.2	179.3	-64.3	-81.8	0	0	0	111.8	I267 G360 A361 K364 E590	I267-Y269 HydrophobicContact CD1-CE1 3.93Å; I267-Y269 HydrophobicContact CG1-CE1 4.35Å; I267-Y269 HydrophobicContact CG2-CD2 4.28Å; I267-Y269 HydrophobicContact CG2-CE1 4.19Å; I267-Y269 HydrophobicContact CG2-CE2 3.45Å; I267-Y269 VanDerWaalsContact CG2-CE2 3.45Å; I267-Y269 VanDerWaalsContact CG2-OH 3.25Å; I267-Y269 WeakPolarHBondContact CG2-OH 3.03Å; Y269-G360 VanDerWaalsContact CE2-O 3.27Å; Y269-G360 WeakPolarHBondContact CE2-O 3.44Å; Y269-G360 VanDerWaalsContact CZ-O 3.26Å; Y269-G360 VanDerWaalsContact OH-C 3.23Å; Y269-G360 WeakPolarHBondContact OH-CA 3.44Å; Y269-G360 PolarHBondContact OH-O 2.87Å; Y269-A361 HydrophobicContact CD1-CB 3.64Å; Y269-A361 HydrophobicContact CD2-CB 4.35Å; Y269-A361 HydrophobicContact CE1-CB 4.18Å; Y269-A361 HydrophobicContact CG-CB 3.73Å; Y269-K364 HydrophobicContact CE2-CD 4.22Å; Y269-E590 CarbonylContact C-O 3.58Å; Y269-E590 VanDerWaalsContact CA-O 3.3Å; Y269-E590 WeakPolarHBondContact CA-O 3.3Å; Y269-E590 WeakPolarHBondContact CB-O 3.45Å; Y269-E590 WeakPolarHBondContact CD1-O 3.35Å
270	N	94.5	Very high	88.3	Confident	40 Å²	40	81.3 Å²	81.3	21%	0.214	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-73.5	147.2	172.5	-65.6	-17.7	0	0	0	109.7	L589 E590	N270-L589 WeakPolarHBondContact CB-O 3.49Å; N270-L589 PolarHBondContact ND2-O 3.27Å; N270-E590 PolarHBondContact N-O 3.04Å
271	K	92.8	Very high	89.4	Confident	206 Å²	206	78.2 Å²	78.2	90%	0.896	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-93.4	135.1	174.7	-66.2	-176	179.6	-179.3	0	109.9
272	L	94.3	Very high	90.5	Very high	40 Å²	40	73 Å²	73	21%	0.209	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-83.8	139.7	174	-58.6	-179.5	0	0	0	111.3	L274 Y391 L589 E590	L272-L274 HydrophobicContact CB-CD2 4.03Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L272-Y391 HydrophobicContact CD1-CD1 4.34Å; L272-L589 HydrophobicContact CD2-CB 3.69Å; L272-E590 HydrophobicContact CD1-CG 3.71Å; L272-E590 HydrophobicContact CD2-CG 3.77Å; L272-E590 HydrophobicContact CG-CG 3.5Å; L272-E590 VanDerWaalsContact CG-CG 3.5Å
273	S	92.2	Very high	91.7	Very high	94 Å²	94	70 Å²	70	66%	0.657	40%	0.404	S	S	*	.			trans	-103.8	92.4	167.3	-174.5	0	0	0	0	108.9	Y391	S273-Y391 PolarHBondContact O-OH 3.29Å
274	L	95.8	Very high	92.7	Very high	81 Å²	81	67.3 Å²	67.3	42%	0.424	38%	0.375	S	S	.	.			trans	-70.7	137.1	-178.1	-55.5	-178.5	0	0	0	111.1	L272 Y391 E752	L272-L274 HydrophobicContact CB-CD2 4.03Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L274-Y391 WeakPolarHBondContact CA-OH 3.37Å; L274-Y391 HydrophobicContact CD2-CD1 3.66Å; L274-Y391 HydrophobicContact CD2-CD2 3.68Å; L274-Y391 HydrophobicContact CD2-CE1 3.86Å; L274-Y391 HydrophobicContact CD2-CE2 3.87Å; L274-Y391 HydrophobicContact CD2-CG 3.56Å; L274-E752 HydrophobicContact CD1-CB 4.42Å
275	Q	96.1	Very high	93.1	Very high	103 Å²	103	62.8 Å²	62.8	48%	0.481	36%	0.356	S	S	.	.			trans	-121.9	149.1	176.3	-62.5	-174.9	33.3	0	0	110.6	P277 P279 Y391	Q275-P277 CarbonylContact C-O 3.5Å; Q275-P277 CarbonylContact O-C 3.49Å; Q275-P279 HydrophobicContact CB-CG 4.02Å; Q275-P279 HydrophobicContact CG-CG 4.49Å; Q275-Y391 PolarHBondContact N-OH 3.27Å
276	K	92.3	Very high	93.2	Very high	180 Å²	180	65.3 Å²	65.3	78%	0.783	37%	0.365	S	S	*	.	S	Bend	trans	-131.8	122.7	176	-67.9	-174.1	179.4	-177.6	0	109
277	P	92.8	Very high	93.5	Very high	123 Å²	123	65.7 Å²	65.7	80%	0.799	36%	0.357	S	S	*	.	S	Bend	cis	-62.5	154.7	-3.2	29.3	-35.7	0	0	0	112.7	Q275	Q275-P277 CarbonylContact C-O 3.5Å; Q275-P277 CarbonylContact O-C 3.49Å
278	V	94.6	Very high	93.4	Very high	34 Å²	34	65.9 Å²	65.9	21%	0.206	36%	0.36	C	S	.	.			trans	-63.2	127.4	178.8	177.6	0	0	0	0	108.8	I284 Y391 W750 A751	V278-I284 HydrophobicContact CG1-CD1 3.74Å; V278-Y391 HydrophobicContact CG1-CD2 4.31Å; V278-Y391 HydrophobicContact CG1-CE2 4.05Å; V278-Y391 HydrophobicContact CG2-CE2 4.46Å; V278-W750 HydrophobicContact CB-CH2 3.54Å; V278-W750 HydrophobicContact CB-CZ2 4.37Å; V278-W750 HydrophobicContact CB-CZ3 3.7Å; V278-W750 HydrophobicContact CG1-CE3 4.49Å; V278-W750 HydrophobicContact CG1-CH2 3.58Å; V278-W750 HydrophobicContact CG1-CZ2 3.92Å; V278-W750 HydrophobicContact CG1-CZ3 3.9Å; V278-W750 HydrophobicContact CG2-CE3 4.33Å; V278-W750 HydrophobicContact CG2-CH2 4.03Å; V278-W750 HydrophobicContact CG2-CZ3 3.62Å; V278-A751 HydrophobicContact CG2-CB 3.97Å
279	P	95	Very high	93.3	Very high	33 Å²	33	70 Å²	70	21%	0.214	38%	0.383	C	S	.	.			trans	-66.8	175.7	179.3	-19.6	32.3	0	0	0	112.8	Q275 A283 I284	Q275-P279 HydrophobicContact CB-CG 4.02Å; Q275-P279 HydrophobicContact CG-CG 4.49Å; P279-A283 HydrophobicContact CB-CB 4.07Å; P279-I284 HydrophobicContact CB-CG1 4.05Å; P279-I284 HydrophobicContact CG-CG1 4.24Å
280	S	92.4	Very high	93.3	Very high	68 Å²	68	69.6 Å²	69.6	48%	0.476	39%	0.386	S	S	.	.			trans	-63.1	153.1	171	65.8	0	0	0	0	111.5	I282 A283 I284	S280-I282 VanDerWaalsContact C-N 3.28Å; S280-I282 PolarHBondContact O-N 3.12Å; S280-A283 WeakPolarHBondContact O-CB 3.41Å; S280-A283 PolarHBondContact O-N 2.68Å; S280-A283 WeakPolarHBondContact OG-CB 3.3Å; S280-A283 PolarHBondContact OG-N 3.25Å; S280-I284 PolarHBondContact O-N 2.68Å
281	D	92.3	Very high	93.3	Very high	38 Å²	38	68 Å²	68	20%	0.203	38%	0.377	C	S	.	.	H	α-helix	trans	-55.5	-43.6	-176.3	-76.3	-10.9	0	0	0	112.5	I284 S285 G390 Q393 M397	D281-I284 PolarHBondContact O-N 2.95Å; D281-S285 PolarHBondContact O-N 3.18Å; D281-G390 WeakPolarHBondContact OD1-CA 3.49Å; D281-G390 PolarHBondContact OD1-N 3.37Å; D281-Q393 VanDerWaalsContact CB-NE2 3.31Å; D281-Q393 PolarHBondContact O-NE2 2.9Å; D281-Q393 PolarHBondContact O-OE1 3.17Å; D281-Q393 PolarHBondContact OD1-NE2 2.8Å; D281-M397 HydrophobicContact CB-CE 4.05Å; D281-M397 HydrophobicContact CB-SD 4.29Å
282	I	91.1	Very high	93.5	Very high	21 Å²	21	61.2 Å²	61.2	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-36	178.1	-172.3	56	0	0	0	112.8	S280 I284 S285 R286 E398 F897	S280-I282 VanDerWaalsContact C-N 3.28Å; S280-I282 PolarHBondContact O-N 3.12Å; I282-I284 VanDerWaalsContact C-N 3.31Å; I282-I284 PolarHBondContact O-N 3.22Å; I282-S285 PolarHBondContact O-N 3.43Å; I282-R286 HydrophobicContact CD1-CG 4.19Å; I282-R286 HydrophobicContact CG1-CG 4.44Å; I282-R286 WeakPolarHBondContact O-CB 3.43Å; I282-R286 WeakPolarHBondContact O-CG 3.27Å; I282-R286 PolarHBondContact O-N 2.89Å; I282-E398 HydrophobicContact CD1-CG 3.91Å; I282-F897 HydrophobicContact CB-CB 4.02Å; I282-F897 HydrophobicContact CB-CD2 3.9Å; I282-F897 HydrophobicContact CB-CG 4.36Å; I282-F897 HydrophobicContact CD1-CD2 3.73Å; I282-F897 HydrophobicContact CD1-CE2 3.97Å; I282-F897 HydrophobicContact CG1-CD2 3.92Å; I282-F897 HydrophobicContact CG2-CB 4.22Å
283	A	93.1	Very high	93.7	Very high	44 Å²	44	59.4 Å²	59.4	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175.5	0	0	0	0	0	110.9	P279 S280 S287	P279-A283 HydrophobicContact CB-CB 4.07Å; S280-A283 WeakPolarHBondContact O-CB 3.41Å; S280-A283 PolarHBondContact O-N 2.68Å; S280-A283 WeakPolarHBondContact OG-CB 3.3Å; S280-A283 PolarHBondContact OG-N 3.25Å; A283-S287 WeakPolarHBondContact O-CB 3.32Å; A283-S287 PolarHBondContact O-N 3.33Å
284	I	95	Very high	93.8	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-50.5	173.9	-62.6	170.4	0	0	0	110.2	V278 P279 S280 D281 I282 R286 S287 C288 Y391 L589	V278-I284 HydrophobicContact CG1-CD1 3.74Å; P279-I284 HydrophobicContact CB-CG1 4.05Å; P279-I284 HydrophobicContact CG-CG1 4.24Å; S280-I284 PolarHBondContact O-N 2.68Å; D281-I284 PolarHBondContact O-N 2.95Å; I282-I284 VanDerWaalsContact C-N 3.31Å; I282-I284 PolarHBondContact O-N 3.22Å; I284-R286 VanDerWaalsContact C-N 3.3Å; I284-R286 PolarHBondContact O-N 3.37Å; I284-S287 PolarHBondContact O-N 3.44Å; I284-S287 VanDerWaalsContact O-N 3.14Å; I284-S287 PolarHBondContact O-OG 3.08Å; I284-C288 PolarHBondContact O-N 3.12Å; I284-Y391 HydrophobicContact CD1-CD2 4.21Å; I284-Y391 HydrophobicContact CD1-CE1 4.43Å; I284-Y391 HydrophobicContact CD1-CE2 4.05Å; I284-Y391 HydrophobicContact CD1-CG 4.48Å; I284-Y391 HydrophobicContact CG1-CE1 4.35Å; I284-Y391 HydrophobicContact CG2-CD1 3.75Å; I284-Y391 HydrophobicContact CG2-CE1 3.81Å; I284-Y391 HydrophobicContact CG2-CG 4.43Å; I284-L589 HydrophobicContact CG2-CD1 3.7Å; I284-L589 HydrophobicContact CG2-CD2 4.11Å
285	S	93.3	Very high	93.8	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-54.7	-44.2	178.2	-179.4	0	0	0	0	112.1	D281 I282 C288 I395 M397	D281-S285 PolarHBondContact O-N 3.18Å; I282-S285 PolarHBondContact O-N 3.43Å; S285-C288 PolarHBondContact O-N 3.05Å; S285-I395 WeakPolarHBondContact OG-CG2 3.38Å; S285-M397 PolarHBondContact OG-N 3.36Å
286	R	92.2	Very high	93.8	Very high	89 Å²	89	54.5 Å²	54.5	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-73.3	-26.9	-179.6	-72.7	178.2	175.3	171.3	1.6	113.8	I282 I284 C288 E398 V893	I282-R286 HydrophobicContact CD1-CG 4.19Å; I282-R286 HydrophobicContact CG1-CG 4.44Å; I282-R286 WeakPolarHBondContact O-CB 3.43Å; I282-R286 WeakPolarHBondContact O-CG 3.27Å; I282-R286 PolarHBondContact O-N 2.89Å; I284-R286 VanDerWaalsContact C-N 3.3Å; I284-R286 PolarHBondContact O-N 3.37Å; R286-C288 PolarHBondContact O-N 3.31Å; R286-E398 IonicContact CZ-OE1 2.95Å; R286-E398 IonicContact NE-OE1 2.68Å; R286-E398 IonicContact NH2-OE1 2.71Å; R286-E398 PolarHBondContact NH2-OE1 3.07Å; R286-V893 PolarHBondContact NH2-O 3.08Å
287	S	92	Very high	94	Very high	79 Å²	79	46 Å²	46	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-70.1	-17.6	177.3	75.1	0	0	0	0	113.3	A283 I284	A283-S287 WeakPolarHBondContact O-CB 3.32Å; A283-S287 PolarHBondContact O-N 3.33Å; I284-S287 PolarHBondContact O-N 3.44Å; I284-S287 VanDerWaalsContact O-N 3.14Å; I284-S287 PolarHBondContact O-OG 3.08Å
288	C	90.8	Very high	94	Very high	22 Å²	22	47.5 Å²	47.5	15%	0.149	26%	0.259	C	S	.	.	S	Bend	trans	-100.7	123.9	-179.5	-173.3	0	0	0	0	110.8	I284 S285 R286 P290 I395 L589	I284-C288 PolarHBondContact O-N 3.12Å; S285-C288 PolarHBondContact O-N 3.05Å; R286-C288 PolarHBondContact O-N 3.31Å; C288-P290 VanDerWaalsContact O-CD 3.29Å; C288-P290 WeakPolarHBondContact O-CD 3.45Å; C288-I395 HydrophobicContact CB-CD1 4.16Å; C288-L589 HydrophobicContact CB-CD2 3.63Å; C288-L589 PolarHBondContact SG-O 2.95Å
289	V	92.3	Very high	93.9	Very high	127 Å²	127	47.2 Å²	47.2	77%	0.77	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-77.5	116.2	168.2	-178.7	0	0	0	0	108.2
290	P	94.1	Very high	93.8	Very high	32 Å²	32	45.7 Å²	45.7	21%	0.208	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.7	178.3	-15.5	28.2	0	0	0	110.5	C288 T313 I395 P396	C288-P290 VanDerWaalsContact O-CD 3.29Å; C288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-T313 HydrophobicContact CB-CG2 4.1Å; P290-T313 HydrophobicContact CG-CG2 3.99Å; P290-I395 HydrophobicContact CB-CD1 4.18Å; P290-I395 HydrophobicContact CG-CD1 4.16Å; P290-P396 HydrophobicContact CG-CG 3.95Å
291	K	95.4	Very high	93.7	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.03	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-60.7	139.2	169.6	-170.7	-171.7	-62.4	169.8	0	108.9	S268 I293 R295 L296 E299 Q587	S268-K291 WeakPolarHBondContact O-CE 3.46Å; S268-K291 PolarHBondContact O-NZ 3.23Å; K291-I293 PolarHBondContact O-N 3.35Å; K291-R295 HydrophobicContact CD-CB 4.36Å; K291-R295 HydrophobicContact CD-CG 4.07Å; K291-R295 HydrophobicContact CG-CB 4.25Å; K291-R295 HydrophobicContact CG-CG 4.24Å; K291-L296 HydrophobicContact CD-CB 4.08Å; K291-L296 HydrophobicContact CD-CD1 4.4Å; K291-E299 WeakPolarHBondContact CE-OE2 3.47Å; K291-E299 IonicContact NZ-OE2 2.64Å; K291-E299 PolarHBondContact NZ-OE2 2.93Å; K291-Q587 PolarHBondContact O-NE2 2.59Å
292	P	97.1	Very high	93.7	Very high	63 Å²	63	42.6 Å²	42.6	41%	0.409	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-51.7	129.7	169.2	-27.6	36.3	0	0	0	110.8	D294 R295 L296	P292-D294 WeakPolarHBondContact CB-OD1 3.19Å; P292-D294 PolarHBondContact O-N 3.47Å; P292-R295 HydrophobicContact CB-CB 4.33Å; P292-R295 WeakPolarHBondContact O-CB 3.47Å; P292-R295 PolarHBondContact O-N 3.25Å; P292-L296 PolarHBondContact O-N 2.85Å; P292-L296 VanDerWaalsContact O-N 3.12Å
293	I	97.5	Very high	93.6	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-28.2	-171.4	-162.5	64.8	0	0	0	112.2	K291 R295 L296 A297 F309 K312 A315 L585	K291-I293 PolarHBondContact O-N 3.35Å; I293-R295 VanDerWaalsContact C-N 3.29Å; I293-R295 PolarHBondContact O-N 2.76Å; I293-L296 HydrophobicContact CD1-CB 4.38Å; I293-L296 HydrophobicContact CD1-CD2 3.92Å; I293-L296 PolarHBondContact O-N 3.02Å; I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 2.91Å; I293-F309 HydrophobicContact CG2-CD1 3.64Å; I293-F309 HydrophobicContact CG2-CE1 4.02Å; I293-K312 WeakPolarHBondContact CB-O 3.49Å; I293-K312 WeakPolarHBondContact CG2-O 3.33Å; I293-K312 PolarHBondContact N-O 2.85Å; I293-A315 HydrophobicContact CG1-CB 4.05Å; I293-A315 HydrophobicContact CG2-CB 4.39Å; I293-L585 HydrophobicContact CD1-CB 4.49Å; I293-L585 HydrophobicContact CD1-CD2 4.08Å; I293-L585 HydrophobicContact CD1-CG 3.89Å; I293-L585 HydrophobicContact CG1-CD2 4.31Å; I293-L585 HydrophobicContact CG1-CG 4.46Å
294	D	95.5	Very high	93.3	Very high	60 Å²	60	44.4 Å²	44.4	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-37.9	172.3	73.7	-63.7	0	0	0	111.7	P292 R298 F309	P292-D294 WeakPolarHBondContact CB-OD1 3.19Å; P292-D294 PolarHBondContact O-N 3.47Å; D294-R298 WeakPolarHBondContact O-CG 3.42Å; D294-R298 PolarHBondContact O-N 3.04Å; D294-R298 PolarHBondContact O-NE 3.3Å; D294-R298 IonicContact OD2-CZ 2.71Å; D294-R298 IonicContact OD2-NH2 3.36Å; D294-R298 PolarHBondContact OD2-NH2 3.26Å; D294-F309 HydrophobicContact CB-CE1 3.74Å; D294-F309 HydrophobicContact CB-CZ 3.63Å
295	R	94.9	Very high	92.9	Very high	114 Å²	114	48.6 Å²	48.6	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-70.1	-46.4	176.8	-179.5	-176.6	173.4	167.1	8.8	110	S268 K291 P292 I293 A297 R298 E299	S268-R295 VanDerWaalsContact OG-CZ 3.26Å; S268-R295 PolarHBondContact OG-NH2 2.96Å; K291-R295 HydrophobicContact CD-CB 4.36Å; K291-R295 HydrophobicContact CD-CG 4.07Å; K291-R295 HydrophobicContact CG-CB 4.25Å; K291-R295 HydrophobicContact CG-CG 4.24Å; P292-R295 HydrophobicContact CB-CB 4.33Å; P292-R295 WeakPolarHBondContact O-CB 3.47Å; P292-R295 PolarHBondContact O-N 3.25Å; I293-R295 VanDerWaalsContact C-N 3.29Å; I293-R295 PolarHBondContact O-N 2.76Å; R295-A297 VanDerWaalsContact C-N 3.31Å; R295-A297 PolarHBondContact O-N 3.39Å; R295-R298 PolarHBondContact O-N 3.46Å; R295-E299 HydrophobicContact CG-CG 4.39Å; R295-E299 WeakPolarHBondContact CG-OE1 3.34Å; R295-E299 IonicContact CZ-OE1 3.43Å; R295-E299 IonicContact NE-OE1 3.13Å; R295-E299 PolarHBondContact NE-OE1 3.35Å; R295-E299 IonicContact NH2-OE1 3.79Å; R295-E299 PolarHBondContact NH2-OE1 3.2Å; R295-E299 WeakPolarHBondContact O-CB 3.35Å; R295-E299 VanDerWaalsContact O-CG 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.28Å; R295-E299 PolarHBondContact O-N 3.08Å
296	L	96.9	Very high	92.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-45.3	176.7	-176.2	62.9	0	0	0	111.3	I267 K291 P292 I293 R298 E299 V300 L585 M586 Q587 G591 P593	I267-L296 HydrophobicContact CD1-CD1 3.89Å; K291-L296 HydrophobicContact CD-CB 4.08Å; K291-L296 HydrophobicContact CD-CD1 4.4Å; P292-L296 PolarHBondContact O-N 2.85Å; P292-L296 VanDerWaalsContact O-N 3.12Å; I293-L296 HydrophobicContact CD1-CB 4.38Å; I293-L296 HydrophobicContact CD1-CD2 3.92Å; I293-L296 PolarHBondContact O-N 3.02Å; L296-R298 PolarHBondContact O-N 2.74Å; L296-E299 PolarHBondContact O-N 3.35Å; L296-V300 HydrophobicContact CD1-CG1 4.24Å; L296-V300 WeakPolarHBondContact O-CG1 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.18Å; L296-V300 PolarHBondContact O-N 2.96Å; L296-V300 VanDerWaalsContact O-N 3.08Å; L296-L585 HydrophobicContact CD2-CD1 4.45Å; L296-L585 HydrophobicContact CD2-CG 4.43Å; L296-M586 WeakPolarHBondContact CD2-O 3.45Å; L296-Q587 HydrophobicContact CD2-CB 3.73Å; L296-G591 WeakPolarHBondContact CD1-O 3.48Å; L296-P593 HydrophobicContact CD1-CB 4.23Å; L296-P593 HydrophobicContact CD2-CB 4.17Å; L296-P593 HydrophobicContact CG-CB 4.36Å
297	A	96.2	Very high	93.1	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-48.2	179.7	0	0	0	0	0	111.8	I293 R295 V300 G301 L302 V307 L585	I293-A297 WeakPolarHBondContact O-CB 3.35Å; I293-A297 PolarHBondContact O-N 2.91Å; R295-A297 VanDerWaalsContact C-N 3.31Å; R295-A297 PolarHBondContact O-N 3.39Å; A297-V300 VanDerWaalsContact O-CG2 3.27Å; A297-V300 WeakPolarHBondContact O-CG2 3.03Å; A297-V300 PolarHBondContact O-N 3.47Å; A297-G301 PolarHBondContact O-N 2.7Å; A297-L302 HydrophobicContact CB-CB 4.07Å; A297-L302 HydrophobicContact CB-CD1 3.96Å; A297-L302 VanDerWaalsContact O-CB 3.32Å; A297-L302 WeakPolarHBondContact O-CB 3.44Å; A297-L302 PolarHBondContact O-N 3.2Å; A297-V307 HydrophobicContact CB-CG1 4.47Å; A297-V307 HydrophobicContact CB-CG2 4.05Å; A297-L585 HydrophobicContact CB-CD2 4.02Å
298	R	91.3	Very high	93.4	Very high	153 Å²	153	43.7 Å²	43.7	58%	0.577	24%	0.235	S	C	*	.	H	α-helix	trans	-63.1	-42.7	175.6	-73	-177	-71.5	153.3	-9.1	112.7	D294 R295 L296 V300 G301	D294-R298 WeakPolarHBondContact O-CG 3.42Å; D294-R298 PolarHBondContact O-N 3.04Å; D294-R298 PolarHBondContact O-NE 3.3Å; D294-R298 IonicContact OD2-CZ 2.71Å; D294-R298 IonicContact OD2-NH2 3.36Å; D294-R298 PolarHBondContact OD2-NH2 3.26Å; R295-R298 PolarHBondContact O-N 3.46Å; L296-R298 PolarHBondContact O-N 2.74Å; R298-V300 PolarHBondContact O-N 3.35Å; R298-G301 PolarHBondContact O-N 2.7Å
299	E	92.9	Very high	93.7	Very high	29 Å²	29	47.8 Å²	47.8	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-28.3	180	-77.1	175.9	-178.2	0	0	113.1	W265 I267 S268 K291 R295 L296	W265-E299 WeakPolarHBondContact CB-O 3.22Å; I267-E299 HydrophobicContact CB-CB 4.22Å; I267-E299 HydrophobicContact CG1-CB 4.29Å; I267-E299 WeakPolarHBondContact CG1-OE2 3.45Å; S268-E299 PolarHBondContact N-OE2 2.97Å; S268-E299 PolarHBondContact OG-OE1 3.09Å; S268-E299 VanDerWaalsContact OG-OE1 3.12Å; K291-E299 WeakPolarHBondContact CE-OE2 3.47Å; K291-E299 IonicContact NZ-OE2 2.64Å; K291-E299 PolarHBondContact NZ-OE2 2.93Å; R295-E299 HydrophobicContact CG-CG 4.39Å; R295-E299 WeakPolarHBondContact CG-OE1 3.34Å; R295-E299 IonicContact CZ-OE1 3.43Å; R295-E299 IonicContact NE-OE1 3.13Å; R295-E299 PolarHBondContact NE-OE1 3.35Å; R295-E299 IonicContact NH2-OE1 3.79Å; R295-E299 PolarHBondContact NH2-OE1 3.2Å; R295-E299 WeakPolarHBondContact O-CB 3.35Å; R295-E299 VanDerWaalsContact O-CG 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.28Å; R295-E299 PolarHBondContact O-N 3.08Å; L296-E299 PolarHBondContact O-N 3.35Å
300	V	94.1	Very high	93.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	3.1	176.1	-53.6	0	0	0	0	113.5	W265 I267 L296 A297 R298 L302 F368 P593	W265-V300 HydrophobicContact CD2-CB 4.21Å; W265-V300 HydrophobicContact CD2-CG1 4.29Å; W265-V300 HydrophobicContact CE3-CB 4.19Å; W265-V300 HydrophobicContact CE3-CG1 3.83Å; W265-V300 HydrophobicContact CH2-CB 3.9Å; W265-V300 HydrophobicContact CH2-CG1 4.05Å; W265-V300 HydrophobicContact CZ2-CB 3.92Å; W265-V300 HydrophobicContact CZ2-CG1 4.48Å; W265-V300 HydrophobicContact CZ3-CB 4.06Å; W265-V300 HydrophobicContact CZ3-CG1 3.71Å; W265-V300 PolarHBondContact NE1-O 3.47Å; I267-V300 HydrophobicContact CD1-CG1 4.46Å; L296-V300 HydrophobicContact CD1-CG1 4.24Å; L296-V300 WeakPolarHBondContact O-CG1 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.18Å; L296-V300 PolarHBondContact O-N 2.96Å; L296-V300 VanDerWaalsContact O-N 3.08Å; A297-V300 VanDerWaalsContact O-CG2 3.27Å; A297-V300 WeakPolarHBondContact O-CG2 3.03Å; A297-V300 PolarHBondContact O-N 3.47Å; R298-V300 PolarHBondContact O-N 3.35Å; V300-L302 HydrophobicContact CG2-CD1 3.94Å; V300-L302 HydrophobicContact CG2-CG 3.97Å; V300-F368 HydrophobicContact CB-CE2 4.49Å; V300-F368 HydrophobicContact CG2-CE2 4.46Å; V300-P593 HydrophobicContact CG1-CB 4.05Å; V300-P593 HydrophobicContact CG1-CG 3.83Å
301	G	90.1	Very high	93.9	Very high	35 Å²	35	46.6 Å²	46.6	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	23	175.9	0	0	0	0	0	115.8	A297 R298 R324	A297-G301 PolarHBondContact O-N 2.7Å; R298-G301 PolarHBondContact O-N 2.7Å; G301-R324 PolarHBondContact O-NH2 3.36Å
302	L	92.5	Very high	94	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.282	C	S	.	.			trans	-80	137	167.2	-65.7	168.5	0	0	0	110.4	A297 V300 V307 V317 I321 L585 L620	A297-L302 HydrophobicContact CB-CB 4.07Å; A297-L302 HydrophobicContact CB-CD1 3.96Å; A297-L302 VanDerWaalsContact O-CB 3.32Å; A297-L302 WeakPolarHBondContact O-CB 3.44Å; A297-L302 PolarHBondContact O-N 3.2Å; V300-L302 HydrophobicContact CG2-CD1 3.94Å; V300-L302 HydrophobicContact CG2-CG 3.97Å; L302-V307 HydrophobicContact CB-CG2 3.78Å; L302-V307 HydrophobicContact CD1-CG2 4.1Å; L302-V307 HydrophobicContact CG-CG2 4.43Å; L302-V317 HydrophobicContact CD1-CG2 3.85Å; L302-V317 HydrophobicContact CD2-CG1 3.82Å; L302-V317 HydrophobicContact CD2-CG2 4.44Å; L302-I321 HydrophobicContact CD2-CD1 3.3Å; L302-L585 HydrophobicContact CD1-CD2 3.75Å; L302-L620 HydrophobicContact CD2-CD1 4.13Å; L302-L620 HydrophobicContact CD2-CD2 4.23Å
303	L	88.5	Confident	93.9	Very high	41 Å²	41	52.7 Å²	52.7	22%	0.215	27%	0.268	C	S	.	.			trans	-82.9	157.8	174.5	-51.9	-178.6	0	0	0	110.5	E52 D305 E306 V307	E52-L303 HydrophobicContact CB-CD2 4.02Å; L303-D305 VanDerWaalsContact C-N 3.27Å; L303-D305 WeakPolarHBondContact CB-OD1 3.29Å; L303-D305 PolarHBondContact O-N 3.13Å; L303-E306 HydrophobicContact CB-CB 4.5Å; L303-E306 HydrophobicContact CB-CG 4.06Å; L303-E306 PolarHBondContact N-OE2 3.16Å; L303-E306 VanDerWaalsContact N-OE2 3.08Å; L303-E306 WeakPolarHBondContact O-CB 3.25Å; L303-E306 PolarHBondContact O-N 2.84Å; L303-E306 VanDerWaalsContact O-N 3.08Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å
304	S	86.5	Confident	93.9	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.5	-29.3	-176.3	-63.3	0	0	0	0	112.8	E52 E306	E52-S304 WeakPolarHBondContact OE1-CB 3.39Å; E52-S304 PolarHBondContact OE1-OG 2.86Å; E52-S304 WeakPolarHBondContact OE2-CB 3.48Å; E52-S304 PolarHBondContact OE2-N 2.87Å; S304-E306 VanDerWaalsContact C-N 3.27Å
305	D	86.8	Confident	94.1	Very high	90 Å²	90	51 Å²	51	48%	0.481	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-78.1	-11.9	175.8	69.6	-31.8	0	0	0	113.2	L303	L303-D305 VanDerWaalsContact C-N 3.27Å; L303-D305 WeakPolarHBondContact CB-OD1 3.29Å; L303-D305 PolarHBondContact O-N 3.13Å
306	E	94.1	Very high	94.3	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.023	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-91.7	-0.3	177.3	-64.6	178.6	145.3	0	0	113.1	L303 S304 V317 Q318 I321 R324	L303-E306 HydrophobicContact CB-CB 4.5Å; L303-E306 HydrophobicContact CB-CG 4.06Å; L303-E306 PolarHBondContact N-OE2 3.16Å; L303-E306 VanDerWaalsContact N-OE2 3.08Å; L303-E306 WeakPolarHBondContact O-CB 3.25Å; L303-E306 PolarHBondContact O-N 2.84Å; L303-E306 VanDerWaalsContact O-N 3.08Å; S304-E306 VanDerWaalsContact C-N 3.27Å; E306-V317 CarbonylContact O-C 3.57Å; E306-V317 WeakPolarHBondContact O-CA 3.35Å; E306-Q318 WeakPolarHBondContact O-CG 3.29Å; E306-Q318 PolarHBondContact O-N 3.45Å; E306-I321 VanDerWaalsContact OE1-CA 3.29Å; E306-I321 WeakPolarHBondContact OE1-CA 3.36Å; E306-I321 WeakPolarHBondContact OE1-CB 3.43Å; E306-R324 IonicContact OE1-CZ 2.8Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 PolarHBondContact OE1-NE 2.85Å; E306-R324 IonicContact OE1-NH2 2.73Å; E306-R324 PolarHBondContact OE1-NH2 3.21Å; E306-R324 IonicContact OE2-CZ 2.85Å; E306-R324 IonicContact OE2-NE 3.65Å; E306-R324 PolarHBondContact OE2-NE 3.42Å; E306-R324 IonicContact OE2-NH2 3.65Å; E306-R324 PolarHBondContact OE2-NH2 2.84Å
307	V	96.4	Very high	94.3	Very high	13 Å²	13	45.7 Å²	45.7	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.3	-170.2	-174.7	0	0	0	0	111.3	A297 L302 L303 F309 A315 K316	A297-V307 HydrophobicContact CB-CG1 4.47Å; A297-V307 HydrophobicContact CB-CG2 4.05Å; L302-V307 HydrophobicContact CB-CG2 3.78Å; L302-V307 HydrophobicContact CD1-CG2 4.1Å; L302-V307 HydrophobicContact CG-CG2 4.43Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å; V307-F309 HydrophobicContact CB-CE1 4.43Å; V307-F309 HydrophobicContact CB-CZ 4.45Å; V307-F309 HydrophobicContact CG1-CD1 3.87Å; V307-F309 HydrophobicContact CG1-CE1 3.47Å; V307-F309 VanDerWaalsContact CG1-CE1 3.47Å; V307-F309 HydrophobicContact CG1-CZ 3.95Å; V307-A315 HydrophobicContact CG1-CB 3.47Å; V307-A315 VanDerWaalsContact CG1-CB 3.47Å; V307-K316 WeakPolarHBondContact CA-O 3.46Å
308	E	97.6	Very high	94.4	Very high	54 Å²	54	47.8 Å²	47.8	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108	174.4	-63.9	175.6	165.5	0	0	109.2	Y310 A315 K316 Q318 K582	E308-Y310 WeakPolarHBondContact O-CD2 3.46Å; E308-A315 CarbonylContact O-C 3.57Å; E308-A315 WeakPolarHBondContact O-CA 3.46Å; E308-A315 WeakPolarHBondContact O-CB 3.41Å; E308-K316 HydrophobicContact CB-CB 4.13Å; E308-K316 PolarHBondContact N-O 3.14Å; E308-K316 PolarHBondContact O-N 3.47Å; E308-Q318 VanDerWaalsContact CD-NE2 3.32Å; E308-Q318 PolarHBondContact OE1-NE2 3.47Å; E308-K582 IonicContact OE1-NZ 3.35Å; E308-K582 PolarHBondContact OE1-NZ 3.46Å; E308-K582 WeakPolarHBondContact OE2-CD 3.26Å; E308-K582 IonicContact OE2-NZ 2.67Å; E308-K582 PolarHBondContact OE2-NZ 2.89Å
309	F	97	Very high	94.7	Very high	108 Å²	108	42.2 Å²	42.2	47%	0.474	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.5	-174.7	-60.1	-61.1	0	0	0	113.4	I293 D294 V307 A315	I293-F309 HydrophobicContact CG2-CD1 3.64Å; I293-F309 HydrophobicContact CG2-CE1 4.02Å; D294-F309 HydrophobicContact CB-CE1 3.74Å; D294-F309 HydrophobicContact CB-CZ 3.63Å; V307-F309 HydrophobicContact CB-CE1 4.43Å; V307-F309 HydrophobicContact CB-CZ 4.45Å; V307-F309 HydrophobicContact CG1-CD1 3.87Å; V307-F309 HydrophobicContact CG1-CE1 3.47Å; V307-F309 VanDerWaalsContact CG1-CE1 3.47Å; V307-F309 HydrophobicContact CG1-CZ 3.95Å; F309-A315 HydrophobicContact CD1-CB 3.94Å; F309-A315 HydrophobicContact CE1-CB 4.48Å
310	Y	97.1	Very high	94.6	Very high	77 Å²	77	43.8 Å²	43.8	30%	0.302	24%	0.243	S	C	.	.	S	Bend	trans	-118.9	74.4	172.7	-80.3	-104.6	0	0	0	109.2	E308 K314 K316 T405	E308-Y310 WeakPolarHBondContact O-CD2 3.46Å; Y310-K314 CarbonylContact C-O 3.39Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CG 3.43Å; Y310-K314 PolarHBondContact O-NZ 2.76Å; Y310-K316 HydrophobicContact CD2-CG 4.33Å; Y310-K316 HydrophobicContact CE2-CB 4.13Å; Y310-K316 HydrophobicContact CE2-CD 3.76Å; Y310-K316 HydrophobicContact CE2-CG 3.77Å; Y310-T405 HydrophobicContact CD1-CG2 3.98Å; Y310-T405 HydrophobicContact CD2-CG2 4.08Å; Y310-T405 HydrophobicContact CE1-CG2 4.29Å; Y310-T405 HydrophobicContact CE2-CG2 4.4Å; Y310-T405 HydrophobicContact CG-CG2 3.87Å
311	G	94.6	Very high	94.6	Very high	57 Å²	57	43.8 Å²	43.8	59%	0.588	24%	0.243	S	C	*	.	S	Bend	trans	77.7	-156.3	-168.1	0	0	0	0	0	111.6
312	K	95.9	Very high	94.7	Very high	177 Å²	177	44.7 Å²	44.7	77%	0.77	24%	0.239	S	C	*	.	S	Bend	trans	-94.5	-10.9	-172.6	-63.6	179.3	-178.3	174.3	0	114.3	I293	I293-K312 WeakPolarHBondContact CB-O 3.49Å; I293-K312 WeakPolarHBondContact CG2-O 3.33Å; I293-K312 PolarHBondContact N-O 2.85Å
313	T	96.6	Very high	94.6	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.129	27%	0.274	C	S	.	.	S	Bend	trans	-116.3	-13.4	-164.1	48.1	0	0	0	0	113.6	P290 P396 E399	P290-T313 HydrophobicContact CB-CG2 4.1Å; P290-T313 HydrophobicContact CG-CG2 3.99Å; T313-P396 HydrophobicContact CG2-CG 3.82Å; T313-E399 PolarHBondContact OG1-OE1 2.82Å; T313-E399 PolarHBondContact OG1-OE2 2.68Å
314	K	97.4	Very high	94.6	Very high	27 Å²	27	55.5 Å²	55.5	12%	0.117	28%	0.281	C	S	.	.			trans	-149	152.3	-176.3	56.8	179.9	-166.8	-51.2	0	112.1	Y310 E399 L404 T405 L585 M586	Y310-K314 CarbonylContact C-O 3.39Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CG 3.43Å; Y310-K314 PolarHBondContact O-NZ 2.76Å; K314-E399 WeakPolarHBondContact CD-OE2 3.31Å; K314-E399 WeakPolarHBondContact CE-OE2 3.08Å; K314-E399 IonicContact NZ-OE2 3.16Å; K314-E399 PolarHBondContact NZ-OE2 3.01Å; K314-L404 HydrophobicContact CD-CD1 4.19Å; K314-L404 WeakPolarHBondContact CE-O 3.36Å; K314-T405 HydrophobicContact CD-CG2 4.45Å; K314-L585 VanDerWaalsContact CA-O 3.28Å; K314-L585 WeakPolarHBondContact CA-O 3.43Å; K314-M586 HydrophobicContact CB-CG 4.07Å
315	A	98.3	Very high	94.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.2	178.9	0	0	0	0	0	111.5	I293 V307 E308 F309 N584 L585	I293-A315 HydrophobicContact CG1-CB 4.05Å; I293-A315 HydrophobicContact CG2-CB 4.39Å; V307-A315 HydrophobicContact CG1-CB 3.47Å; V307-A315 VanDerWaalsContact CG1-CB 3.47Å; E308-A315 CarbonylContact O-C 3.57Å; E308-A315 WeakPolarHBondContact O-CA 3.46Å; E308-A315 WeakPolarHBondContact O-CB 3.41Å; F309-A315 HydrophobicContact CD1-CB 3.94Å; F309-A315 HydrophobicContact CE1-CB 4.48Å; A315-N584 CarbonylContact O-C 3.5Å; A315-N584 VanDerWaalsContact O-CA 3.31Å; A315-N584 WeakPolarHBondContact O-CA 3.27Å; A315-L585 PolarHBondContact N-O 3.38Å; A315-L585 VanDerWaalsContact N-O 3.13Å; A315-L585 PolarHBondContact O-N 3.49Å
316	K	98.8	Very high	95	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.6	166.2	-81.9	-174.8	171.4	-52.8	0	110.3	V307 E308 Y310 T405 D407 D579 K582 P583 N584	V307-K316 WeakPolarHBondContact CA-O 3.46Å; E308-K316 HydrophobicContact CB-CB 4.13Å; E308-K316 PolarHBondContact N-O 3.14Å; E308-K316 PolarHBondContact O-N 3.47Å; Y310-K316 HydrophobicContact CD2-CG 4.33Å; Y310-K316 HydrophobicContact CE2-CB 4.13Å; Y310-K316 HydrophobicContact CE2-CD 3.76Å; Y310-K316 HydrophobicContact CE2-CG 3.77Å; K316-T405 HydrophobicContact CG-CG2 4.41Å; K316-T405 PolarHBondContact NZ-OG1 2.92Å; K316-D407 VanDerWaalsContact CE-OD1 3.31Å; K316-D407 WeakPolarHBondContact CE-OD1 3.5Å; K316-D407 IonicContact NZ-OD1 3.39Å; K316-D407 PolarHBondContact NZ-OD1 2.64Å; K316-D407 IonicContact NZ-OD2 3.48Å; K316-D407 PolarHBondContact NZ-OD2 2.98Å; K316-D579 WeakPolarHBondContact CD-O 3.41Å; K316-D579 WeakPolarHBondContact CE-O 3.46Å; K316-D579 PolarHBondContact NZ-O 2.81Å; K316-K582 HydrophobicContact CB-CB 4.06Å; K316-K582 HydrophobicContact CB-CD 4.39Å; K316-K582 HydrophobicContact CD-CB 4.09Å; K316-K582 HydrophobicContact CD-CD 4.38Å; K316-K582 HydrophobicContact CG-CB 4.25Å; K316-K582 PolarHBondContact NZ-O 3.1Å; K316-P583 WeakPolarHBondContact CA-O 3.49Å; K316-N584 VanDerWaalsContact CG-OD1 3.26Å; K316-N584 WeakPolarHBondContact CG-OD1 3.46Å; K316-N584 PolarHBondContact NZ-OD1 3.35Å
317	V	98.6	Very high	94.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.3	176.7	177.5	0	0	0	0	110.7	L302 E306 I321 K582 P583 L585 F595 I616	L302-V317 HydrophobicContact CD1-CG2 3.85Å; L302-V317 HydrophobicContact CD2-CG1 3.82Å; L302-V317 HydrophobicContact CD2-CG2 4.44Å; E306-V317 CarbonylContact O-C 3.57Å; E306-V317 WeakPolarHBondContact O-CA 3.35Å; V317-I321 HydrophobicContact CG1-CG2 4.29Å; V317-K582 WeakPolarHBondContact O-CB 3.27Å; V317-P583 PolarHBondContact N-O 3.06Å; V317-L585 HydrophobicContact CG2-CB 4.17Å; V317-F595 HydrophobicContact CB-CE1 4.14Å; V317-F595 HydrophobicContact CB-CZ 4.32Å; V317-F595 HydrophobicContact CG2-CE1 3.63Å; V317-F595 HydrophobicContact CG2-CZ 4.02Å; V317-I616 HydrophobicContact CG1-CG2 4.42Å
318	Q	97.4	Very high	94.4	Very high	47 Å²	47	64.2 Å²	64.2	22%	0.22	33%	0.325	C	S	.	.			trans	-67.2	148.6	-178.7	-61.4	-73.9	22.6	0	0	111.9	E306 E308 S320 I321	E306-Q318 WeakPolarHBondContact O-CG 3.29Å; E306-Q318 PolarHBondContact O-N 3.45Å; E308-Q318 VanDerWaalsContact CD-NE2 3.32Å; E308-Q318 PolarHBondContact OE1-NE2 3.47Å; Q318-S320 WeakPolarHBondContact CB-OG 3.2Å; Q318-S320 PolarHBondContact O-N 3.5Å; Q318-I321 WeakPolarHBondContact O-CG2 3.44Å
319	L	96.6	Very high	94.2	Very high	36 Å²	36	65.2 Å²	65.2	19%	0.188	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.6	178.2	-55.2	-171.7	0	0	0	113.7	I321 I322 I581 L612 I616	L319-I321 PolarHBondContact O-N 3.34Å; L319-I322 WeakPolarHBondContact O-CB 3.39Å; L319-I322 PolarHBondContact O-N 2.78Å; L319-I322 VanDerWaalsContact O-N 3.12Å; L319-I581 HydrophobicContact CD1-CD1 3.88Å; L319-I581 HydrophobicContact CD1-CG1 4.15Å; L319-I581 HydrophobicContact CD1-CG2 4.14Å; L319-L612 HydrophobicContact CD1-CD1 4.2Å; L319-L612 HydrophobicContact CD2-CD1 4.08Å; L319-L612 HydrophobicContact CD2-CD2 4.12Å; L319-I616 HydrophobicContact CD2-CD1 4.12Å
320	S	92.8	Very high	94.2	Very high	63 Å²	63	63.2 Å²	63.2	44%	0.441	33%	0.33	S	S	.	.	H	α-helix	trans	-56	-29.2	174.4	47.7	0	0	0	0	112.3	Q318 I322 K323 R324	Q318-S320 WeakPolarHBondContact CB-OG 3.2Å; Q318-S320 PolarHBondContact O-N 3.5Å; S320-I322 PolarHBondContact O-N 2.69Å; S320-K323 WeakPolarHBondContact O-CB 3.35Å; S320-K323 PolarHBondContact O-N 3.02Å; S320-K323 VanDerWaalsContact O-N 3.07Å; S320-R324 PolarHBondContact O-N 2.79Å
321	I	93.8	Very high	94.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-33.9	177.4	-164.3	177.1	0	0	0	113.4	L302 E306 V317 Q318 L319 K323 R324 L325 I616 L620	L302-I321 HydrophobicContact CD2-CD1 3.3Å; E306-I321 VanDerWaalsContact OE1-CA 3.29Å; E306-I321 WeakPolarHBondContact OE1-CA 3.36Å; E306-I321 WeakPolarHBondContact OE1-CB 3.43Å; V317-I321 HydrophobicContact CG1-CG2 4.29Å; Q318-I321 WeakPolarHBondContact O-CG2 3.44Å; L319-I321 PolarHBondContact O-N 3.34Å; I321-K323 PolarHBondContact O-N 2.89Å; I321-R324 PolarHBondContact O-N 3.28Å; I321-R324 VanDerWaalsContact O-N 3.16Å; I321-L325 HydrophobicContact CD1-CD1 3.85Å; I321-L325 HydrophobicContact CG1-CD1 3.68Å; I321-L325 HydrophobicContact CG1-CG 4.01Å; I321-L325 PolarHBondContact O-N 3.47Å; I321-I616 HydrophobicContact CD1-CG2 4.06Å; I321-I616 HydrophobicContact CG2-CB 4.46Å; I321-I616 HydrophobicContact CG2-CD1 3.93Å; I321-I616 HydrophobicContact CG2-CG1 3.84Å; I321-I616 HydrophobicContact CG2-CG2 3.81Å; I321-L620 HydrophobicContact CD1-CD1 4.13Å; I321-L620 HydrophobicContact CD1-CD2 3.76Å; I321-L620 HydrophobicContact CD1-CG 3.98Å
322	I	91.6	Very high	94.4	Very high	55 Å²	55	59.8 Å²	59.8	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-38	-180	-63.7	174.1	0	0	0	110	L319 S320 Q326 L612 I616	L319-I322 WeakPolarHBondContact O-CB 3.39Å; L319-I322 PolarHBondContact O-N 2.78Å; L319-I322 VanDerWaalsContact O-N 3.12Å; S320-I322 PolarHBondContact O-N 2.69Å; I322-Q326 WeakPolarHBondContact O-CA 3.41Å; I322-Q326 PolarHBondContact O-N 2.99Å; I322-Q326 VanDerWaalsContact O-N 3.16Å; I322-L612 HydrophobicContact CD1-CD2 3.5Å; I322-I616 HydrophobicContact CD1-CD1 4.18Å; I322-I616 HydrophobicContact CD1-CG1 3.97Å; I322-I616 HydrophobicContact CG1-CD1 4.18Å; I322-I616 HydrophobicContact CG1-CG1 3.65Å
323	K	90.1	Very high	94.5	Very high	177 Å²	177	51.5 Å²	51.5	77%	0.77	27%	0.265	S	S	*	.	H	α-helix	trans	-70.6	-42.9	176	-173	179.2	178.2	-176.9	0	111.1	S320 I321 L325 Q326	S320-K323 WeakPolarHBondContact O-CB 3.35Å; S320-K323 PolarHBondContact O-N 3.02Å; S320-K323 VanDerWaalsContact O-N 3.07Å; I321-K323 PolarHBondContact O-N 2.89Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.84Å; K323-Q326 WeakPolarHBondContact O-CB 3.31Å; K323-Q326 PolarHBondContact O-N 2.84Å
324	R	89.7	Confident	94.6	Very high	96 Å²	96	50.5 Å²	50.5	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-42.9	178.2	-178.1	176.1	63.7	95	-12.1	112.1	G301 E306 S320 I321	G301-R324 PolarHBondContact O-NH2 3.36Å; E306-R324 IonicContact OE1-CZ 2.8Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 PolarHBondContact OE1-NE 2.85Å; E306-R324 IonicContact OE1-NH2 2.73Å; E306-R324 PolarHBondContact OE1-NH2 3.21Å; E306-R324 IonicContact OE2-CZ 2.85Å; E306-R324 IonicContact OE2-NE 3.65Å; E306-R324 PolarHBondContact OE2-NE 3.42Å; E306-R324 IonicContact OE2-NH2 3.65Å; E306-R324 PolarHBondContact OE2-NH2 2.84Å; S320-R324 PolarHBondContact O-N 2.79Å; I321-R324 PolarHBondContact O-N 3.28Å; I321-R324 VanDerWaalsContact O-N 3.16Å
325	L	90.3	Very high	94.7	Very high	22 Å²	22	49.2 Å²	49.2	12%	0.115	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	14.8	-176.2	-58.9	-179.6	0	0	0	113.5	I321 K323 S327 Q328 K619 L620	I321-L325 HydrophobicContact CD1-CD1 3.85Å; I321-L325 HydrophobicContact CG1-CD1 3.68Å; I321-L325 HydrophobicContact CG1-CG 4.01Å; I321-L325 PolarHBondContact O-N 3.47Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.84Å; L325-S327 PolarHBondContact O-N 3.39Å; L325-Q328 HydrophobicContact CB-CB 4.27Å; L325-Q328 WeakPolarHBondContact O-CB 3.11Å; L325-Q328 PolarHBondContact O-N 3.25Å; L325-K619 HydrophobicContact CB-CB 3.81Å; L325-K619 HydrophobicContact CB-CG 4.21Å; L325-K619 HydrophobicContact CD1-CB 3.83Å; L325-K619 HydrophobicContact CG-CB 4.49Å; L325-K619 WeakPolarHBondContact O-CD 3.47Å; L325-L620 HydrophobicContact CD1-CD2 3.9Å; L325-L620 HydrophobicContact CD1-CG 4.07Å
326	Q	90.3	Very high	94.7	Very high	148 Å²	148	49.2 Å²	49.2	69%	0.692	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.1	-174.8	-173.2	178.2	8.7	0	0	113	I322 K323	I322-Q326 WeakPolarHBondContact O-CA 3.41Å; I322-Q326 PolarHBondContact O-N 2.99Å; I322-Q326 VanDerWaalsContact O-N 3.16Å; K323-Q326 WeakPolarHBondContact O-CB 3.31Å; K323-Q326 PolarHBondContact O-N 2.84Å
327	S	88.4	Confident	94.7	Very high	115 Å²	115	49.1 Å²	49.1	80%	0.804	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.3	179.3	55.6	0	0	0	0	114.4	L325	L325-S327 PolarHBondContact O-N 3.39Å
328	Q	89.5	Confident	94.6	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	26%	0.255	S	S	.	.	S	Bend	trans	-72.1	127.6	179.2	-178.9	62.4	38.8	0	0	109.2	L325 K619 P623	L325-Q328 HydrophobicContact CB-CB 4.27Å; L325-Q328 WeakPolarHBondContact O-CB 3.11Å; L325-Q328 PolarHBondContact O-N 3.25Å; Q328-K619 HydrophobicContact CB-CD 4.32Å; Q328-K619 VanDerWaalsContact CG-O 3.25Å; Q328-K619 WeakPolarHBondContact CG-O 3.25Å; Q328-K619 WeakPolarHBondContact O-CD 2.95Å; Q328-K619 WeakPolarHBondContact O-CE 3.5Å; Q328-K619 PolarHBondContact O-NZ 2.92Å; Q328-P623 VanDerWaalsContact NE2-CD 3.32Å
329	P	94.1	Very high	94.6	Very high	74 Å²	74	47 Å²	47	48%	0.481	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-62.3	144.9	173.5	-23.4	34.4	0	0	0	112	P623	P329-P623 HydrophobicContact CB-CB 4.19Å; P329-P623 HydrophobicContact CB-CG 4.32Å
330	D	96.8	Very high	94.7	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.353	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-68.8	145.9	175.8	-69.7	-0.3	0	0	0	110.6	L618 K619	D330-L618 HydrophobicContact CB-CB 4.12Å; D330-K619 WeakPolarHBondContact OD1-CD 3.32Å; D330-K619 WeakPolarHBondContact OD1-CE 3.34Å; D330-K619 IonicContact OD1-NZ 2.89Å; D330-K619 PolarHBondContact OD1-NZ 3.18Å
331	G	97.2	Very high	94.8	Very high	3 Å²	3	43 Å²	43	3%	0.031	22%	0.218	C	C	.	.			trans	-74.5	-171.2	169.2	0	0	0	0	0	114.9	L618 G622	G331-L618 PolarHBondContact N-O 3.45Å; G331-L618 WeakPolarHBondContact O-CD2 3.37Å; G331-G622 WeakPolarHBondContact CA-O 3.17Å; G331-G622 PolarHBondContact N-O 3.33Å
332	K	98.3	Very high	94.7	Very high	60 Å²	60	43.4 Å²	43.4	26%	0.261	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131	177.4	-54.5	-60.7	178.5	174.7	0	110.3	G625 F626 V627 H655	K332-G625 PolarHBondContact N-O 2.71Å; K332-F626 HydrophobicContact CB-CD1 3.64Å; K332-F626 HydrophobicContact CB-CE1 3.67Å; K332-F626 HydrophobicContact CB-CG 4.2Å; K332-F626 HydrophobicContact CB-CZ 4.24Å; K332-F626 HydrophobicContact CG-CD1 4.37Å; K332-F626 HydrophobicContact CG-CE1 4Å; K332-F626 HydrophobicContact CG-CZ 4.08Å; K332-F626 CarbonylContact O-C 3.56Å; K332-F626 WeakPolarHBondContact O-CA 3.48Å; K332-V627 PolarHBondContact O-N 2.96Å; K332-H655 VanDerWaalsContact CD-CD2 3.45Å; K332-H655 WeakPolarHBondContact CD-CD2 3.13Å
333	Y	98.4	Very high	94.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.4	-175.3	-169.3	-147.2	0	0	0	111.3	D614 L618 V627 T629 F642 L652 P654 H655	Y333-D614 HydrophobicContact CE2-CB 4.12Å; Y333-D614 VanDerWaalsContact OH-CG 3.31Å; Y333-D614 PolarHBondContact OH-OD2 3.39Å; Y333-L618 HydrophobicContact CD2-CD1 4.29Å; Y333-L618 HydrophobicContact CD2-CD2 4.31Å; Y333-L618 HydrophobicContact CG-CD1 4.26Å; Y333-L618 HydrophobicContact CG-CD2 4.37Å; Y333-V627 HydrophobicContact CD2-CB 4.22Å; Y333-V627 HydrophobicContact CD2-CG1 4.16Å; Y333-V627 HydrophobicContact CE2-CG1 4.24Å; Y333-T629 HydrophobicContact CD2-CG2 4.44Å; Y333-T629 HydrophobicContact CE2-CG2 3.55Å; Y333-F642 HydrophobicContact CD1-CZ 4.32Å; Y333-F642 HydrophobicContact CE1-CE1 4.37Å; Y333-F642 HydrophobicContact CE1-CE2 4.13Å; Y333-F642 AromaticContact CE1-CZ 3.43Å; Y333-F642 HydrophobicContact CE1-CZ 3.43Å; Y333-F642 VanDerWaalsContact CE1-CZ 3.43Å; Y333-F642 HydrophobicContact CE2-CZ 4.45Å; Y333-F642 AromaticContact CZ-CE2 3.83Å; Y333-F642 AromaticContact CZ-CZ 3.52Å; Y333-F642 WeakPolarHBondContact OH-CE2 3.45Å; Y333-F642 WeakPolarHBondContact OH-CZ 3.46Å; Y333-L652 HydrophobicContact CD1-CB 4.04Å; Y333-L652 HydrophobicContact CE1-CB 3.84Å; Y333-L652 HydrophobicContact CE1-CD1 4Å; Y333-P654 HydrophobicContact CD1-CB 4.38Å; Y333-P654 CarbonylContact O-C 3.56Å; Y333-P654 WeakPolarHBondContact O-CA 3.49Å; Y333-H655 PolarHBondContact N-ND1 2.84Å; Y333-H655 PolarHBondContact O-N 2.86Å
334	V	98.8	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.5	-174.1	-178.6	0	0	0	0	109.1	L355 F626 V627 V628 T629 V656 V658 V764	V334-L355 HydrophobicContact CG1-CD2 4.42Å; V334-F626 HydrophobicContact CG2-CD1 3.97Å; V334-V627 PolarHBondContact N-O 3.03Å; V334-V628 HydrophobicContact CB-CG2 4.28Å; V334-V628 WeakPolarHBondContact O-CA 3.43Å; V334-T629 PolarHBondContact O-N 3.15Å; V334-V656 WeakPolarHBondContact CA-O 3.17Å; V334-V656 HydrophobicContact CG1-CB 4.23Å; V334-V656 HydrophobicContact CG2-CB 4.24Å; V334-V658 HydrophobicContact CG1-CG2 3.79Å; V334-V764 HydrophobicContact CG1-CG1 4.22Å; V334-V764 HydrophobicContact CG2-CG1 3.79Å
335	V	98.7	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.9	174.4	62	0	0	0	0	110.5	T629 A631 F642 F643 P654 V656 V657 V658	V335-T629 HydrophobicContact CB-CG2 4.19Å; V335-T629 HydrophobicContact CG2-CG2 4.24Å; V335-A631 HydrophobicContact CG2-CB 4.2Å; V335-F642 HydrophobicContact CB-CD1 4.07Å; V335-F642 HydrophobicContact CB-CE1 3.62Å; V335-F642 HydrophobicContact CB-CZ 3.86Å; V335-F642 HydrophobicContact CG1-CD1 4.11Å; V335-F642 HydrophobicContact CG1-CE1 3.8Å; V335-F642 HydrophobicContact CG2-CD1 3.83Å; V335-F642 HydrophobicContact CG2-CD2 4.26Å; V335-F642 HydrophobicContact CG2-CE1 3.85Å; V335-F642 HydrophobicContact CG2-CE2 4.26Å; V335-F642 HydrophobicContact CG2-CG 4.05Å; V335-F642 HydrophobicContact CG2-CZ 4.05Å; V335-F643 HydrophobicContact CG1-CE1 4.04Å; V335-F643 HydrophobicContact CG1-CZ 4.2Å; V335-P654 HydrophobicContact CG1-CB 4.47Å; V335-V656 PolarHBondContact N-O 3.12Å; V335-V657 HydrophobicContact CG1-CB 4.48Å; V335-V657 HydrophobicContact CG1-CG2 3.89Å; V335-V657 CarbonylContact O-C 3.59Å; V335-V657 WeakPolarHBondContact O-CA 3.36Å; V335-V658 PolarHBondContact O-N 3.1Å
336	V	98.8	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.7	172.1	-168.2	0	0	0	0	109	K348 T352 V628 T629 E630 A631 V658 V660	V336-K348 HydrophobicContact CG1-CG 3.9Å; V336-T352 HydrophobicContact CG2-CG2 4.42Å; V336-V628 HydrophobicContact CG2-CG1 3.47Å; V336-V628 VanDerWaalsContact CG2-CG1 3.47Å; V336-T629 PolarHBondContact N-O 3.34Å; V336-E630 HydrophobicContact CB-CB 4.34Å; V336-E630 VanDerWaalsContact O-CA 3.29Å; V336-E630 WeakPolarHBondContact O-CA 3.34Å; V336-A631 PolarHBondContact O-N 3.12Å; V336-V658 WeakPolarHBondContact CA-O 3.43Å; V336-V658 HydrophobicContact CB-CB 4.48Å; V336-V658 HydrophobicContact CG1-CB 4.28Å; V336-V658 HydrophobicContact CG1-CG1 4.24Å; V336-V658 HydrophobicContact CG2-CB 4.18Å; V336-V660 HydrophobicContact CG1-CG2 3.66Å
337	T	98	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-174.4	174.4	-164.9	0	0	0	0	109.4	A635 M639 V657 V658 L659 V660	T337-A635 HydrophobicContact CG2-CB 3.8Å; T337-A635 WeakPolarHBondContact OG1-CA 3.46Å; T337-A635 PolarHBondContact OG1-N 3.17Å; T337-M639 HydrophobicContact CG2-CB 4.23Å; T337-M639 HydrophobicContact CG2-SD 3.94Å; T337-V657 HydrophobicContact CG2-CG1 3.84Å; T337-V658 PolarHBondContact N-O 3.36Å; T337-L659 HydrophobicContact CG2-CD1 3.78Å; T337-V660 WeakPolarHBondContact O-CB 3.39Å; T337-V660 VanDerWaalsContact O-CG2 3.27Å; T337-V660 WeakPolarHBondContact O-CG2 3.27Å; T337-V660 PolarHBondContact O-N 3.36Å
338	G	97.2	Very high	94.5	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	172.4	179.7	0	0	0	0	0	112.4	G634 A635 L659 V660	G338-G634 CarbonylContact O-C 3.5Å; G338-G634 VanDerWaalsContact O-CA 3.25Å; G338-G634 WeakPolarHBondContact O-CA 3.39Å; G338-A635 PolarHBondContact O-N 2.89Å; G338-L659 VanDerWaalsContact C-CD1 3.43Å; G338-L659 WeakPolarHBondContact O-CD1 3.22Å; G338-V660 WeakPolarHBondContact CA-O 3.4Å
339	I	98.3	Very high	94.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.142	C	C	.	.	S	Bend	trans	-60	173.9	161.5	60.9	170.5	0	0	0	111	P341 E346 G634 V660 A661 A665 L666 M700	I339-P341 VanDerWaalsContact O-CD 3.25Å; I339-P341 WeakPolarHBondContact O-CD 3.36Å; I339-E346 HydrophobicContact CD1-CG 4.33Å; I339-E346 HydrophobicContact CG1-CG 3.81Å; I339-G634 WeakPolarHBondContact O-CA 3.45Å; I339-V660 PolarHBondContact N-O 3.13Å; I339-A661 HydrophobicContact CD1-CB 4.26Å; I339-A661 HydrophobicContact CG2-CB 3.89Å; I339-A665 HydrophobicContact CD1-CB 3.79Å; I339-L666 HydrophobicContact CD1-CD2 3.81Å; I339-L666 HydrophobicContact CD1-CG 4.14Å; I339-M700 HydrophobicContact CG2-CB 3.99Å; I339-M700 HydrophobicContact CG2-CG 4.26Å
340	T	97.5	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-57.1	124.2	174.7	-60	0	0	0	0	109.5	H669 N699 Q703 L831	T340-H669 PolarHBondContact O-NE2 3.48Å; T340-N699 PolarHBondContact N-OD1 3.04Å; T340-N699 PolarHBondContact OG1-ND2 2.95Å; T340-Q703 PolarHBondContact OG1-NE2 2.67Å; T340-L831 VanDerWaalsContact CG2-C 3.5Å
341	P	94.6	Very high	95	Very high	13 Å²	13	16.7 Å²	16.7	8%	0.084	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-55.8	143	-176.7	-29	30.4	0	0	0	115	I339 E346 F633 H830	I339-P341 VanDerWaalsContact O-CD 3.25Å; I339-P341 WeakPolarHBondContact O-CD 3.36Å; P341-E346 WeakPolarHBondContact CA-OE1 3.36Å; P341-F633 HydrophobicContact CG-CB 4.17Å; P341-F633 HydrophobicContact CG-CD1 4.49Å; P341-H830 WeakPolarHBondContact CD-O 3.37Å
342	T	92.6	Very high	95	Very high	10 Å²	10	16.5 Å²	16.5	6%	0.061	11%	0.106	C	C	.	.			trans	-124.3	157.8	172.5	65.6	0	0	0	0	110.5	L344 G345 E346 A665 M668	T342-L344 PolarHBondContact O-N 3.28Å; T342-G345 PolarHBondContact O-N 2.87Å; T342-G345 VanDerWaalsContact O-N 3.11Å; T342-E346 PolarHBondContact N-OE1 3.46Å; T342-E346 PolarHBondContact OG1-OE1 3.44Å; T342-E346 VanDerWaalsContact OG1-OE1 3.05Å; T342-A665 HydrophobicContact CG2-CB 3.94Å; T342-A665 VanDerWaalsContact OG1-CB 3.26Å; T342-A665 WeakPolarHBondContact OG1-CB 3.37Å; T342-M668 HydrophobicContact CG2-CB 4.34Å; T342-M668 HydrophobicContact CG2-SD 3.88Å
343	P	86.9	Confident	95	Very high	86 Å²	86	13.7 Å²	13.7	56%	0.558	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.4	172.9	-24.9	35.3	0	0	0	114.7	G345 M668	P343-G345 VanDerWaalsContact C-N 3.33Å; P343-M668 HydrophobicContact CG-CE 4.41Å
344	L	86.3	Confident	95.1	Very high	21 Å²	21	13.6 Å²	13.6	11%	0.11	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.5	179.1	-66.4	165.7	0	0	0	112.9	T342 R664 M668 V675 L681 Y685	T342-L344 PolarHBondContact O-N 3.28Å; L344-R664 HydrophobicContact CD1-CB 4.08Å; L344-R664 WeakPolarHBondContact CD1-O 3.47Å; L344-M668 HydrophobicContact CD1-CB 4.21Å; L344-M668 HydrophobicContact CD1-SD 4.5Å; L344-V675 HydrophobicContact CD1-CG2 4.3Å; L344-V675 HydrophobicContact CD2-CG1 4.27Å; L344-V675 HydrophobicContact CD2-CG2 3.99Å; L344-V675 HydrophobicContact CG-CG2 4.16Å; L344-L681 HydrophobicContact CD2-CD1 4.43Å; L344-L681 HydrophobicContact CD2-CD2 3.53Å; L344-Y685 HydrophobicContact CD1-CD1 3.74Å; L344-Y685 HydrophobicContact CD1-CE1 3.74Å; L344-Y685 HydrophobicContact CD1-CG 4.21Å
345	G	84.4	Confident	95.1	Very high	27 Å²	27	13.6 Å²	13.6	28%	0.278	9%	0.093	S	C	.	.			trans	76.3	141.3	176.5	0	0	0	0	0	114.4	T342 P343	T342-G345 PolarHBondContact O-N 2.87Å; T342-G345 VanDerWaalsContact O-N 3.11Å; P343-G345 VanDerWaalsContact C-N 3.33Å
346	E	89.6	Confident	95.1	Very high	20 Å²	20	13.6 Å²	13.6	9%	0.093	9%	0.093	C	C	.	.			trans	-101.1	-22.7	-177.9	-57.1	70	-140.2	0	0	112.8	I339 P341 T342 V660 T662 A665 N719	I339-E346 HydrophobicContact CD1-CG 4.33Å; I339-E346 HydrophobicContact CG1-CG 3.81Å; P341-E346 WeakPolarHBondContact CA-OE1 3.36Å; T342-E346 PolarHBondContact N-OE1 3.46Å; T342-E346 PolarHBondContact OG1-OE1 3.44Å; T342-E346 VanDerWaalsContact OG1-OE1 3.05Å; E346-V660 HydrophobicContact CB-CG1 4.21Å; E346-V660 VanDerWaalsContact O-CG1 3.22Å; E346-V660 WeakPolarHBondContact O-CG1 3.38Å; E346-T662 HydrophobicContact CB-CG2 4.47Å; E346-T662 WeakPolarHBondContact O-CG2 3.19Å; E346-A665 HydrophobicContact CG-CB 4.48Å; E346-N719 PolarHBondContact O-ND2 3.24Å
347	G	92.4	Very high	95	Very high	27 Å²	27	13.6 Å²	13.6	28%	0.278	9%	0.093	S	C	.	.			trans	75.4	36.1	-176.7	0	0	0	0	0	113.8	T350 T351 N719	G347-T350 WeakPolarHBondContact O-CB 3.49Å; G347-T350 PolarHBondContact O-N 2.95Å; G347-T351 PolarHBondContact O-N 3.16Å; G347-T351 PolarHBondContact O-OG1 3.23Å; G347-N719 PolarHBondContact O-ND2 2.53Å
348	K	95.3	Very high	95.1	Very high	27 Å²	27	13.6 Å²	13.6	12%	0.117	9%	0.093	C	C	.	.	H	α-helix	trans	-56.4	-56.9	-178.7	-178.2	179.6	53	-112.3	0	112.6	V336 T350 T351 T352 A631 F633 V660	V336-K348 HydrophobicContact CG1-CG 3.9Å; K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 2.96Å; K348-T351 CarbonylContact O-C 3.6Å; K348-T351 WeakPolarHBondContact O-CA 3.26Å; K348-T351 VanDerWaalsContact O-CB 3.29Å; K348-T351 WeakPolarHBondContact O-CB 3.16Å; K348-T351 PolarHBondContact O-N 2.87Å; K348-T352 PolarHBondContact O-N 3.22Å; K348-T352 PolarHBondContact O-OG1 3.46Å; K348-A631 WeakPolarHBondContact CD-O 3.5Å; K348-A631 WeakPolarHBondContact CE-O 3.49Å; K348-A631 PolarHBondContact NZ-O 3.3Å; K348-F633 PolarHBondContact NZ-O 2.99Å; K348-V660 HydrophobicContact CG-CG2 4.48Å
349	S	95.6	Very high	95.1	Very high	34 Å²	34	13.5 Å²	13.5	24%	0.238	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-32.6	-178.9	-54.8	0	0	0	0	112.4	T351 T352 V353 E630	S349-T351 PolarHBondContact O-N 3.47Å; S349-T352 WeakPolarHBondContact O-CB 3.41Å; S349-T352 PolarHBondContact O-N 2.91Å; S349-V353 WeakPolarHBondContact O-CG2 3.39Å; S349-V353 PolarHBondContact O-N 3.45Å; S349-E630 VanDerWaalsContact CA-OE2 3.24Å; S349-E630 WeakPolarHBondContact CA-OE2 3.4Å; S349-E630 VanDerWaalsContact CB-OE2 3.27Å; S349-E630 WeakPolarHBondContact CB-OE2 3.32Å; S349-E630 PolarHBondContact OG-OE1 3.19Å; S349-E630 PolarHBondContact OG-OE2 3.43Å
350	T	97.1	Very high	95.1	Very high	17 Å²	17	13.5 Å²	13.5	10%	0.104	9%	0.092	C	C	.	.	H	α-helix	trans	-58.6	-39.5	170.5	-45.6	0	0	0	0	111	G347 K348 G354 G389 S392 H749 W750	G347-T350 WeakPolarHBondContact O-CB 3.49Å; G347-T350 PolarHBondContact O-N 2.95Å; K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 2.96Å; T350-G354 PolarHBondContact O-N 2.87Å; T350-G389 WeakPolarHBondContact CG2-O 3.1Å; T350-G389 PolarHBondContact OG1-N 3.38Å; T350-S392 WeakPolarHBondContact O-CB 3.48Å; T350-H749 PolarHBondContact O-CD2 3.05Å; T350-W750 HydrophobicContact CG2-CB 4.12Å
351	T	98.5	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.2	-40.2	176.5	-45.7	0	0	0	0	112.3	G347 K348 S349 V353 G354 L355 V658 V660 A717 N719 H749 L760	G347-T351 PolarHBondContact O-N 3.16Å; G347-T351 PolarHBondContact O-OG1 3.23Å; K348-T351 CarbonylContact O-C 3.6Å; K348-T351 WeakPolarHBondContact O-CA 3.26Å; K348-T351 VanDerWaalsContact O-CB 3.29Å; K348-T351 WeakPolarHBondContact O-CB 3.16Å; K348-T351 PolarHBondContact O-N 2.87Å; S349-T351 PolarHBondContact O-N 3.47Å; T351-V353 VanDerWaalsContact C-N 3.29Å; T351-V353 PolarHBondContact O-N 3.15Å; T351-G354 PolarHBondContact O-N 3.27Å; T351-L355 WeakPolarHBondContact O-CB 3.45Å; T351-L355 PolarHBondContact O-N 3.45Å; T351-V658 HydrophobicContact CG2-CG1 4.43Å; T351-V660 HydrophobicContact CG2-CG2 3.93Å; T351-A717 HydrophobicContact CG2-CB 3.83Å; T351-N719 PolarHBondContact OG1-ND2 2.94Å; T351-N719 PolarHBondContact OG1-OD1 2.8Å; T351-H749 VanDerWaalsContact CA-NE2 3.29Å; T351-H749 WeakPolarHBondContact CA-NE2 3.31Å; T351-H749 PolarHBondContact N-NE2 2.8Å; T351-H749 PolarHBondContact OG1-NE2 3.38Å; T351-L760 HydrophobicContact CG2-CD2 3.74Å
352	T	98.5	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-53.1	-50	171.7	-51.3	0	0	0	0	110.6	V336 K348 S349 V356 V371 V628 E630	V336-T352 HydrophobicContact CG2-CG2 4.42Å; K348-T352 PolarHBondContact O-N 3.22Å; K348-T352 PolarHBondContact O-OG1 3.46Å; S349-T352 WeakPolarHBondContact O-CB 3.41Å; S349-T352 PolarHBondContact O-N 2.91Å; T352-V356 PolarHBondContact O-N 3.44Å; T352-V371 HydrophobicContact CG2-CG1 4.15Å; T352-V628 HydrophobicContact CG2-CG1 3.96Å; T352-E630 HydrophobicContact CG2-CB 4.48Å; T352-E630 PolarHBondContact OG1-OE2 2.89Å
353	V	98.5	Very high	95.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-45.6	-178.3	178.7	0	0	0	0	112	S349 T351 L355 V356 Q357 V394 T588	S349-V353 WeakPolarHBondContact O-CG2 3.39Å; S349-V353 PolarHBondContact O-N 3.45Å; T351-V353 VanDerWaalsContact C-N 3.29Å; T351-V353 PolarHBondContact O-N 3.15Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.9Å; V353-V356 WeakPolarHBondContact O-CG2 3.2Å; V353-V356 PolarHBondContact O-N 3.12Å; V353-Q357 WeakPolarHBondContact O-CB 3.44Å; V353-Q357 WeakPolarHBondContact O-CG 3.49Å; V353-Q357 PolarHBondContact O-N 3.23Å; V353-Q357 PolarHBondContact O-OE1 3.46Å; V353-V394 HydrophobicContact CG2-CG2 3.95Å; V353-T588 HydrophobicContact CG1-CG2 3.68Å
354	G	98.6	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-38.6	177.2	0	0	0	0	0	112.7	T350 T351 Q357 A358 S392	T350-G354 PolarHBondContact O-N 2.87Å; T351-G354 PolarHBondContact O-N 3.27Å; G354-Q357 PolarHBondContact O-N 2.79Å; G354-A358 WeakPolarHBondContact O-CB 3.29Å; G354-A358 PolarHBondContact O-N 3.36Å; G354-S392 WeakPolarHBondContact CA-OG 3.45Å
355	L	98.8	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-44.8	176.7	177.4	57.3	0	0	0	112.3	V334 T351 V353 Q357 A358 L359 V628 V658 L760 V764	V334-L355 HydrophobicContact CG1-CD2 4.42Å; T351-L355 WeakPolarHBondContact O-CB 3.45Å; T351-L355 PolarHBondContact O-N 3.45Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.9Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 3.01Å; L355-A358 WeakPolarHBondContact O-CB 3.28Å; L355-A358 PolarHBondContact O-N 3.49Å; L355-L359 HydrophobicContact CD1-CD1 3.92Å; L355-L359 HydrophobicContact CD1-CG 4.06Å; L355-L359 HydrophobicContact CG-CD1 3.96Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 2.94Å; L355-V628 HydrophobicContact CD2-CG1 3.92Å; L355-V628 HydrophobicContact CD2-CG2 4.1Å; L355-V628 HydrophobicContact CG-CG2 4.24Å; L355-V658 HydrophobicContact CD2-CG2 3.99Å; L355-L760 HydrophobicContact CB-CD2 4.4Å; L355-L760 HydrophobicContact CD1-CD2 4.28Å; L355-L760 HydrophobicContact CD1-CG 4.09Å; L355-V764 HydrophobicContact CD1-CG2 4.21Å; L355-V764 HydrophobicContact CD2-CG2 4.14Å
356	V	98.7	Very high	97.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.7	-31.9	177.6	-60.5	0	0	0	0	112.1	T352 V353 G360 V367 A369 T588 T592 V628	T352-V356 PolarHBondContact O-N 3.44Å; V353-V356 WeakPolarHBondContact O-CG2 3.2Å; V353-V356 PolarHBondContact O-N 3.12Å; V356-G360 PolarHBondContact O-N 3.15Å; V356-V367 HydrophobicContact CB-CG1 4.37Å; V356-V367 HydrophobicContact CB-CG2 3.89Å; V356-V367 HydrophobicContact CG1-CG2 3.69Å; V356-V367 VanDerWaalsContact O-CG1 3.32Å; V356-V367 WeakPolarHBondContact O-CG1 3.46Å; V356-A369 HydrophobicContact CB-CB 4.4Å; V356-A369 HydrophobicContact CG1-CB 3.84Å; V356-A369 HydrophobicContact CG2-CB 3.89Å; V356-T588 HydrophobicContact CG2-CG2 3.98Å; V356-T592 HydrophobicContact CB-CG2 3.95Å; V356-T592 HydrophobicContact CG2-CG2 4.02Å; V356-V628 HydrophobicContact CG1-CB 3.46Å; V356-V628 VanDerWaalsContact CG1-CB 3.46Å; V356-V628 HydrophobicContact CG1-CG1 4.24Å; V356-V628 HydrophobicContact CG1-CG2 3.52Å
357	Q	98.7	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-45.8	170.4	-80	-179.3	-76.9	0	0	111	V353 G354 L355 G360 A361 H362 Y391 S392 T588 E590	V353-Q357 WeakPolarHBondContact O-CB 3.44Å; V353-Q357 WeakPolarHBondContact O-CG 3.49Å; V353-Q357 PolarHBondContact O-N 3.23Å; V353-Q357 PolarHBondContact O-OE1 3.46Å; G354-Q357 PolarHBondContact O-N 2.79Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 3.01Å; Q357-G360 PolarHBondContact O-N 3.32Å; Q357-A361 WeakPolarHBondContact O-CA 3.33Å; Q357-A361 WeakPolarHBondContact O-CB 3.34Å; Q357-A361 PolarHBondContact O-N 3.18Å; Q357-H362 PolarHBondContact O-CD2 3.07Å; Q357-Y391 PolarHBondContact NE2-O 3.07Å; Q357-Y391 PolarHBondContact OE1-O 3.37Å; Q357-S392 VanDerWaalsContact OE1-CA 3.29Å; Q357-T588 HydrophobicContact CG-CG2 4.21Å; Q357-E590 VanDerWaalsContact CB-OE2 3.28Å; Q357-E590 WeakPolarHBondContact CB-OE2 3.38Å; Q357-E590 HydrophobicContact CG-CB 4.2Å; Q357-E590 PolarHBondContact NE2-OE2 3.22Å
358	A	98.8	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-59.2	-51.8	174.9	0	0	0	0	0	112.6	G354 L355 G360 H362 L363 G754 A757	G354-A358 WeakPolarHBondContact O-CB 3.29Å; G354-A358 PolarHBondContact O-N 3.36Å; L355-A358 WeakPolarHBondContact O-CB 3.28Å; L355-A358 PolarHBondContact O-N 3.49Å; A358-G360 VanDerWaalsContact C-N 3.35Å; A358-G360 PolarHBondContact O-N 2.98Å; A358-H362 WeakPolarHBondContact O-CB 3.47Å; A358-H362 PolarHBondContact O-N 3.34Å; A358-L363 WeakPolarHBondContact O-CG 3.37Å; A358-L363 PolarHBondContact O-N 3.13Å; A358-G754 WeakPolarHBondContact CB-O 3.45Å; A358-A757 VanDerWaalsContact CB-C 3.46Å; A358-A757 HydrophobicContact CB-CB 3.89Å; A358-A757 WeakPolarHBondContact CB-O 3.5Å
359	L	98.6	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-61.7	-42.4	179.5	-70.4	167.4	0	0	0	111.8	L355 L363 K364 L365 V367 F626 V628	L355-L359 HydrophobicContact CD1-CD1 3.92Å; L355-L359 HydrophobicContact CD1-CG 4.06Å; L355-L359 HydrophobicContact CG-CD1 3.96Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 2.94Å; L359-L363 HydrophobicContact CD2-CD1 4.14Å; L359-L363 CarbonylContact O-C 3.53Å; L359-L363 WeakPolarHBondContact O-CB 3.24Å; L359-K364 PolarHBondContact O-N 2.94Å; L359-L365 HydrophobicContact CD2-CD1 3.87Å; L359-L365 WeakPolarHBondContact O-CB 3.43Å; L359-L365 PolarHBondContact O-N 3.14Å; L359-V367 HydrophobicContact CB-CB 4.12Å; L359-V367 HydrophobicContact CB-CG1 4.02Å; L359-V367 HydrophobicContact CB-CG2 4.07Å; L359-V367 HydrophobicContact CD1-CG2 3.98Å; L359-F626 HydrophobicContact CD1-CB 4.07Å; L359-F626 HydrophobicContact CD1-CG 4.24Å; L359-V628 HydrophobicContact CD1-CG2 4.01Å
360	G	97.9	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-82.4	-72.3	-177.2	0	0	0	0	0	112.8	Y269 V356 Q357 A358 H362 K364	Y269-G360 VanDerWaalsContact CE2-O 3.27Å; Y269-G360 WeakPolarHBondContact CE2-O 3.44Å; Y269-G360 VanDerWaalsContact CZ-O 3.26Å; Y269-G360 VanDerWaalsContact OH-C 3.23Å; Y269-G360 WeakPolarHBondContact OH-CA 3.44Å; Y269-G360 PolarHBondContact OH-O 2.87Å; V356-G360 PolarHBondContact O-N 3.15Å; Q357-G360 PolarHBondContact O-N 3.32Å; A358-G360 VanDerWaalsContact C-N 3.35Å; A358-G360 PolarHBondContact O-N 2.98Å; G360-H362 VanDerWaalsContact C-N 3.29Å; G360-H362 PolarHBondContact O-N 3.24Å; G360-K364 WeakPolarHBondContact O-CA 3.18Å; G360-K364 PolarHBondContact O-N 2.87Å
361	A	97.4	Very high	98.1	Very high	9 Å²	9	13.7 Å²	13.7	7%	0.074	7%	0.067	C	C	.	.	I	π-helix	trans	-66.8	-29	-169.7	0	0	0	0	0	113.3	Y269 Q357 K364 E590	Y269-A361 HydrophobicContact CD1-CB 3.64Å; Y269-A361 HydrophobicContact CD2-CB 4.35Å; Y269-A361 HydrophobicContact CE1-CB 4.18Å; Y269-A361 HydrophobicContact CG-CB 3.73Å; Q357-A361 WeakPolarHBondContact O-CA 3.33Å; Q357-A361 WeakPolarHBondContact O-CB 3.34Å; Q357-A361 PolarHBondContact O-N 3.18Å; A361-K364 WeakPolarHBondContact O-CE 3.43Å; A361-K364 PolarHBondContact O-NZ 3.31Å; A361-E590 HydrophobicContact CB-CB 3.92Å; A361-E590 HydrophobicContact CB-CG 4.41Å; A361-E590 WeakPolarHBondContact CB-OE2 3.28Å
362	H	97.9	Very high	98	Very high	72 Å²	72	16.5 Å²	16.5	33%	0.333	8%	0.077	S	C	.	.	I	π-helix	trans	-106.6	-44.6	-174.5	-60.3	-88	0	0	0	113	Q357 A358 G360 E590 G754 A755 V758	Q357-H362 PolarHBondContact O-CD2 3.07Å; A358-H362 WeakPolarHBondContact O-CB 3.47Å; A358-H362 PolarHBondContact O-N 3.34Å; G360-H362 VanDerWaalsContact C-N 3.29Å; G360-H362 PolarHBondContact O-N 3.24Å; H362-E590 IonicContact CD2-OE2 3.9Å; H362-E590 IonicContact CE1-OE1 3.49Å; H362-E590 IonicContact NE2-OE1 2.76Å; H362-E590 PolarHBondContact NE2-OE1 2.86Å; H362-E590 IonicContact NE2-OE2 3.54Å; H362-E590 PolarHBondContact NE2-OE2 2.8Å; H362-G754 VanDerWaalsContact CD2-C 3.41Å; H362-A755 PolarHBondContact NE2-N 3.3Å; H362-V758 HydrophobicContact CB-CG2 3.65Å
363	L	97.3	Very high	97.8	Very high	46 Å²	46	16.7 Å²	16.7	24%	0.241	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.8	179.5	-61	174.3	0	0	0	114	A358 L359 L365 V758 Q762	A358-L363 WeakPolarHBondContact O-CG 3.37Å; A358-L363 PolarHBondContact O-N 3.13Å; L359-L363 HydrophobicContact CD2-CD1 4.14Å; L359-L363 CarbonylContact O-C 3.53Å; L359-L363 WeakPolarHBondContact O-CB 3.24Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 HydrophobicContact CB-CD1 4.28Å; L363-L365 HydrophobicContact CB-CG 4.26Å; L363-L365 PolarHBondContact O-N 2.72Å; L363-V758 HydrophobicContact CD2-CG1 4.07Å; L363-Q762 HydrophobicContact CD1-CG 4.22Å; L363-Q762 HydrophobicContact CD2-CG 4.18Å
364	K	95.6	Very high	97.5	Very high	106 Å²	106	18.1 Å²	18.1	46%	0.461	9%	0.088	S	C	.	.			trans	59.4	34.7	175.7	-52	-55.2	-172.5	-170.1	0	114	Y269 L359 G360 A361	Y269-K364 HydrophobicContact CE2-CD 4.22Å; L359-K364 PolarHBondContact O-N 2.94Å; G360-K364 WeakPolarHBondContact O-CA 3.18Å; G360-K364 PolarHBondContact O-N 2.87Å; A361-K364 WeakPolarHBondContact O-CE 3.43Å; A361-K364 PolarHBondContact O-NZ 3.31Å
365	L	96.4	Very high	97.2	Very high	36 Å²	36	18.9 Å²	18.9	19%	0.188	9%	0.093	C	C	.	.			trans	-95	147.7	173.1	-57.6	173.6	0	0	0	110.2	L359 L363 V367 F626	L359-L365 HydrophobicContact CD2-CD1 3.87Å; L359-L365 WeakPolarHBondContact O-CB 3.43Å; L359-L365 PolarHBondContact O-N 3.14Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 HydrophobicContact CB-CD1 4.28Å; L363-L365 HydrophobicContact CB-CG 4.26Å; L363-L365 PolarHBondContact O-N 2.72Å; L365-V367 PolarHBondContact O-N 2.79Å; L365-F626 HydrophobicContact CD1-CD2 4.16Å; L365-F626 HydrophobicContact CD1-CE2 3.91Å
366	N	97.9	Very high	96.6	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.048	10%	0.101	C	C	.	.			trans	-65.6	124.9	169.5	-63.4	-5.8	0	0	0	108.3	G263 W265 V621 G625 F626	G263-N366 PolarHBondContact O-ND2 3.07Å; W265-N366 HydrophobicContact CD2-CB 3.94Å; W265-N366 HydrophobicContact CE3-CB 3.97Å; W265-N366 HydrophobicContact CH2-CB 4.4Å; W265-N366 HydrophobicContact CZ2-CB 4.37Å; W265-N366 HydrophobicContact CZ3-CB 4.2Å; W265-N366 PolarHBondContact N-OD1 3.31Å; N366-V621 HydrophobicContact CB-CB 4.02Å; N366-V621 HydrophobicContact CB-CG1 4.41Å; N366-V621 WeakPolarHBondContact CB-O 3.5Å; N366-V621 PolarHBondContact ND2-O 3.04Å; N366-G625 CarbonylContact O-C 3.35Å; N366-G625 WeakPolarHBondContact O-CA 3.44Å; N366-F626 PolarHBondContact O-N 2.91Å
367	V	98.6	Very high	96	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143	-178	63.9	0	0	0	0	112.2	V356 L359 L365 T592 P593 F626 V628	V356-V367 HydrophobicContact CB-CG1 4.37Å; V356-V367 HydrophobicContact CB-CG2 3.89Å; V356-V367 HydrophobicContact CG1-CG2 3.69Å; V356-V367 VanDerWaalsContact O-CG1 3.32Å; V356-V367 WeakPolarHBondContact O-CG1 3.46Å; L359-V367 HydrophobicContact CB-CB 4.12Å; L359-V367 HydrophobicContact CB-CG1 4.02Å; L359-V367 HydrophobicContact CB-CG2 4.07Å; L359-V367 HydrophobicContact CD1-CG2 3.98Å; L365-V367 PolarHBondContact O-N 2.79Å; V367-T592 HydrophobicContact CG1-CG2 3.7Å; V367-P593 WeakPolarHBondContact O-CD 3.43Å; V367-P593 VanDerWaalsContact O-CG 3.26Å; V367-P593 WeakPolarHBondContact O-CG 3.31Å; V367-F626 CarbonylContact C-O 3.6Å; V367-F626 WeakPolarHBondContact CA-O 3.28Å; V367-F626 HydrophobicContact CB-CB 4.41Å; V367-F626 HydrophobicContact CG2-CB 3.99Å; V367-F626 WeakPolarHBondContact CG2-O 3.3Å; V367-V628 HydrophobicContact CG2-CG2 4.25Å
368	F	98.3	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.7	169.6	-115.2	-94	0	0	0	110.8	W265 V300 L585 P593 F595 A617 L620 V621 F626 V627 V628	W265-F368 AromaticContact CH2-CD2 3.75Å; W265-F368 HydrophobicContact CH2-CD2 3.75Å; W265-F368 AromaticContact CH2-CE2 3.91Å; W265-F368 HydrophobicContact CH2-CE2 3.91Å; W265-F368 HydrophobicContact CZ3-CD2 4.3Å; V300-F368 HydrophobicContact CB-CE2 4.49Å; V300-F368 HydrophobicContact CG2-CE2 4.46Å; F368-L585 HydrophobicContact CE1-CD1 3.72Å; F368-L585 HydrophobicContact CZ-CD1 3.51Å; F368-P593 HydrophobicContact CD1-CB 4.28Å; F368-P593 HydrophobicContact CD1-CG 4.48Å; F368-P593 HydrophobicContact CD2-CB 4.03Å; F368-P593 HydrophobicContact CD2-CG 3.6Å; F368-P593 HydrophobicContact CE1-CB 3.87Å; F368-P593 HydrophobicContact CE1-CG 4.46Å; F368-P593 HydrophobicContact CE2-CB 3.61Å; F368-P593 HydrophobicContact CE2-CG 3.58Å; F368-P593 HydrophobicContact CG-CB 4.36Å; F368-P593 HydrophobicContact CG-CG 4.09Å; F368-P593 HydrophobicContact CZ-CB 3.54Å; F368-P593 HydrophobicContact CZ-CG 4.05Å; F368-F595 HydrophobicContact CD1-CB 4.44Å; F368-F595 AromaticContact CD1-CD2 3.69Å; F368-F595 HydrophobicContact CD1-CD2 3.69Å; F368-F595 HydrophobicContact CD1-CE2 4.08Å; F368-F595 HydrophobicContact CD1-CG 4.05Å; F368-F595 HydrophobicContact CE1-CB 4.34Å; F368-F595 AromaticContact CE1-CD1 3.9Å; F368-F595 HydrophobicContact CE1-CD1 3.9Å; F368-F595 AromaticContact CE1-CD2 3.43Å; F368-F595 HydrophobicContact CE1-CD2 3.43Å; F368-F595 VanDerWaalsContact CE1-CD2 3.43Å; F368-F595 AromaticContact CE1-CE1 3.99Å; F368-F595 HydrophobicContact CE1-CE1 3.99Å; F368-F595 AromaticContact CE1-CE2 3.54Å; F368-F595 HydrophobicContact CE1-CE2 3.54Å; F368-F595 AromaticContact CE1-CG 3.61Å; F368-F595 HydrophobicContact CE1-CG 3.61Å; F368-F595 AromaticContact CE1-CZ 3.82Å; F368-F595 HydrophobicContact CE1-CZ 3.82Å; F368-F595 HydrophobicContact CZ-CD2 4.22Å; F368-F595 HydrophobicContact CZ-CE1 4.26Å; F368-F595 AromaticContact CZ-CE2 3.85Å; F368-F595 HydrophobicContact CZ-CE2 3.85Å; F368-F595 AromaticContact CZ-CZ 3.86Å; F368-F595 HydrophobicContact CZ-CZ 3.86Å; F368-A617 HydrophobicContact CB-CB 3.74Å; F368-A617 HydrophobicContact CD1-CB 4.21Å; F368-A617 HydrophobicContact CD2-CB 4.39Å; F368-A617 HydrophobicContact CG-CB 3.88Å; F368-L620 HydrophobicContact CE2-CD1 4.14Å; F368-L620 HydrophobicContact CZ-CD1 4.43Å; F368-V621 HydrophobicContact CB-CG1 4.28Å; F368-V621 HydrophobicContact CD2-CG1 4.25Å; F368-F626 PolarHBondContact N-O 3.48Å; F368-V627 HydrophobicContact CB-CG2 4.36Å; F368-V627 WeakPolarHBondContact O-CA 3.24Å; F368-V628 PolarHBondContact O-N 2.52Å
369	A	98.6	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.1	156.9	0	0	0	0	0	110.6	V356 V371 P593 V594 F595 V628	V356-A369 HydrophobicContact CB-CB 4.4Å; V356-A369 HydrophobicContact CG1-CB 3.84Å; V356-A369 HydrophobicContact CG2-CB 3.89Å; A369-V371 HydrophobicContact CB-CG1 4.46Å; A369-P593 PolarHBondContact N-O 3.28Å; A369-P593 VanDerWaalsContact N-O 3.15Å; A369-V594 HydrophobicContact CB-CB 4.44Å; A369-V594 HydrophobicContact CB-CG1 4.03Å; A369-V594 HydrophobicContact CB-CG2 4.15Å; A369-V594 CarbonylContact O-C 3.51Å; A369-V594 WeakPolarHBondContact O-CA 3.48Å; A369-F595 PolarHBondContact O-N 2.93Å; A369-V628 CarbonylContact C-O 3.47Å; A369-V628 VanDerWaalsContact CA-O 3.26Å; A369-V628 WeakPolarHBondContact CA-O 3.45Å
370	C	98.6	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	104	170.9	-70.1	0	0	0	0	109.8	F595 S609 D614 V628 T629	C370-F595 CarbonylContact C-O 3.57Å; C370-F595 WeakPolarHBondContact CA-O 3.38Å; C370-S609 PolarHBondContact O-OG 3.3Å; C370-D614 WeakPolarHBondContact CB-OD1 3.13Å; C370-D614 PolarHBondContact SG-OD1 3.42Å; C370-V628 PolarHBondContact N-O 3.47Å; C370-T629 PolarHBondContact O-OG1 3.16Å
371	V	97.7	Very high	93.8	Very high	8 Å²	8	26.5 Å²	26.5	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	164.3	-173.7	-58.5	0	0	0	0	112	T352 A369 F400 V594 F595 V596 H597 S609	T352-V371 HydrophobicContact CG2-CG1 4.15Å; A369-V371 HydrophobicContact CB-CG1 4.46Å; V371-F400 HydrophobicContact CG2-CE2 4.01Å; V371-F400 HydrophobicContact CG2-CZ 4.3Å; V371-V594 HydrophobicContact CG2-CG1 3.76Å; V371-F595 PolarHBondContact N-O 2.94Å; V371-V596 HydrophobicContact CG2-CB 4.42Å; V371-V596 HydrophobicContact CG2-CG1 4.46Å; V371-V596 HydrophobicContact CG2-CG2 3.86Å; V371-V596 WeakPolarHBondContact O-CA 3.31Å; V371-H597 PolarHBondContact O-N 3.2Å; V371-H597 VanDerWaalsContact O-N 3.12Å; V371-S609 WeakPolarHBondContact O-CB 3.42Å
372	R	96.3	Very high	92.5	Very high	59 Å²	59	32.5 Å²	32.5	22%	0.223	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-82.4	146.7	179.6	-70.8	169.2	-69	143.6	10.2	110.9	F400 A598 G607 E630	R372-F400 WeakPolarHBondContact O-CZ 3.36Å; R372-A598 CarbonylContact C-O 3.59Å; R372-A598 WeakPolarHBondContact CA-O 3.25Å; R372-A598 WeakPolarHBondContact CB-O 3.37Å; R372-G607 WeakPolarHBondContact CD-O 3.4Å; R372-G607 PolarHBondContact NE-O 3.35Å; R372-E630 IonicContact CZ-OE1 3.18Å; R372-E630 IonicContact NE-OE1 3.24Å; R372-E630 IonicContact NH2-OE1 2.69Å; R372-E630 PolarHBondContact NH2-OE1 3.42Å
373	Q	95.1	Very high	90.9	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.023	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-74.3	128.9	164.8	-174.4	178.1	-3.6	0	0	109.4	L404 I408 V596 A598	Q373-L404 HydrophobicContact CG-CD2 3.95Å; Q373-I408 HydrophobicContact CG-CD1 4.04Å; Q373-V596 HydrophobicContact CB-CG1 4.05Å; Q373-A598 PolarHBondContact N-O 2.99Å
374	P	92	Very high	89.1	Confident	31 Å²	31	33.2 Å²	33.2	20%	0.201	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.6	152.2	174.4	32.5	-36	0	0	0	111	F400 I408	P374-F400 HydrophobicContact CB-CE1 4.44Å; P374-F400 WeakPolarHBondContact CD-O 3.09Å; P374-F400 HydrophobicContact CG-CD1 3.67Å; P374-F400 HydrophobicContact CG-CE1 3.49Å; P374-F400 VanDerWaalsContact CG-CE1 3.49Å; P374-F400 HydrophobicContact CG-CZ 4.43Å; P374-F400 WeakPolarHBondContact CG-O 3.14Å; P374-I408 WeakPolarHBondContact O-CD1 3.48Å
375	S	90.9	Very high	87.3	Confident	15 Å²	15	29.9 Å²	29.9	11%	0.105	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-71.2	145	167.9	166.5	0	0	0	0	110.2	G377 P378 D497 I525	S375-G377 VanDerWaalsContact C-N 3.35Å; S375-G377 PolarHBondContact OG-N 2.96Å; S375-P378 VanDerWaalsContact OG-CD 3.32Å; S375-P378 WeakPolarHBondContact OG-CD 3.46Å; S375-D497 WeakPolarHBondContact CB-OD1 3.4Å; S375-D497 VanDerWaalsContact OG-CG 3.31Å; S375-D497 PolarHBondContact OG-OD1 2.77Å; S375-D497 PolarHBondContact OG-OD2 3.47Å; S375-I525 VanDerWaalsContact OG-CD1 3.27Å; S375-I525 WeakPolarHBondContact OG-CD1 3.28Å
376	Q	87.9	Confident	85.5	Confident	38 Å²	38	29.8 Å²	29.8	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-71.6	-30.4	175	-173	-179.8	-18.8	0	0	111.8	T379 F380 H403 D497	Q376-T379 VanDerWaalsContact O-CB 3.24Å; Q376-T379 WeakPolarHBondContact O-CB 3.39Å; Q376-T379 PolarHBondContact O-N 3.48Å; Q376-T379 VanDerWaalsContact O-N 3.08Å; Q376-F380 HydrophobicContact CG-CD2 3.95Å; Q376-F380 HydrophobicContact CG-CE2 3.51Å; Q376-F380 VanDerWaalsContact NE2-CE2 3.27Å; Q376-F380 WeakPolarHBondContact O-CD2 3.26Å; Q376-H403 PolarHBondContact OE1-CE1 3.48Å; Q376-H403 PolarHBondContact OE1-ND1 3.48Å; Q376-D497 VanDerWaalsContact CB-OD2 3.31Å; Q376-D497 WeakPolarHBondContact CB-OD2 3.45Å; Q376-D497 PolarHBondContact N-OD2 3.04Å
377	G	85.8	Confident	84.5	Confident	3 Å²	3	29.7 Å²	29.7	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-52.1	-175	0	0	0	0	0	114.1	S375 T379 F380 D497 N499	S375-G377 VanDerWaalsContact C-N 3.35Å; S375-G377 PolarHBondContact OG-N 2.96Å; G377-T379 VanDerWaalsContact C-N 3.29Å; G377-T379 PolarHBondContact O-N 3.46Å; G377-F380 PolarHBondContact O-N 2.63Å; G377-D497 WeakPolarHBondContact CA-O 3.28Å; G377-D497 PolarHBondContact N-O 3.42Å; G377-N499 PolarHBondContact O-ND2 3.36Å
378	P	86.3	Confident	84.1	Confident	56 Å²	56	30 Å²	30	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-59.7	-31.8	176	-27.8	36.6	0	0	0	115.2	S375 F380 G381 I382	S375-P378 VanDerWaalsContact OG-CD 3.32Å; S375-P378 WeakPolarHBondContact OG-CD 3.46Å; P378-F380 VanDerWaalsContact C-N 3.28Å; P378-F380 PolarHBondContact O-N 2.68Å; P378-G381 WeakPolarHBondContact O-CA 3.34Å; P378-G381 PolarHBondContact O-N 2.62Å; P378-I382 PolarHBondContact O-N 3.21Å
379	T	86.9	Confident	83.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-39.9	-178	-58.5	0	0	0	0	112	Q376 G377 N401 L402 L896	Q376-T379 VanDerWaalsContact O-CB 3.24Å; Q376-T379 WeakPolarHBondContact O-CB 3.39Å; Q376-T379 PolarHBondContact O-N 3.48Å; Q376-T379 VanDerWaalsContact O-N 3.08Å; G377-T379 VanDerWaalsContact C-N 3.29Å; G377-T379 PolarHBondContact O-N 3.46Å; T379-N401 PolarHBondContact OG1-O 3.28Å; T379-L402 HydrophobicContact CG2-CD2 4.44Å; T379-L896 HydrophobicContact CG2-CD1 3.3Å; T379-L896 HydrophobicContact CG2-CG 3.96Å
380	F	89.1	Confident	83.7	Confident	61 Å²	61	30.1 Å²	30.1	27%	0.268	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.6	177.5	-64.1	-85.9	0	0	0	113.4	Q376 G377 P378 L402 P879 C880 F881 I884	Q376-F380 HydrophobicContact CG-CD2 3.95Å; Q376-F380 HydrophobicContact CG-CE2 3.51Å; Q376-F380 VanDerWaalsContact NE2-CE2 3.27Å; Q376-F380 WeakPolarHBondContact O-CD2 3.26Å; G377-F380 PolarHBondContact O-N 2.63Å; P378-F380 VanDerWaalsContact C-N 3.28Å; P378-F380 PolarHBondContact O-N 2.68Å; F380-L402 HydrophobicContact CE2-CD2 3.98Å; F380-L402 HydrophobicContact CZ-CD2 3.82Å; F380-P879 WeakPolarHBondContact O-CB 3.46Å; F380-C880 PolarHBondContact O-N 2.78Å; F380-F881 HydrophobicContact CB-CB 4.44Å; F380-F881 HydrophobicContact CB-CD1 4.31Å; F380-F881 HydrophobicContact CD1-CB 4.1Å; F380-F881 WeakPolarHBondContact O-CD1 3.21Å; F380-F881 PolarHBondContact O-N 2.76Å; F380-I884 HydrophobicContact CD1-CD1 3.73Å; F380-I884 HydrophobicContact CE1-CD1 4Å; F380-I884 HydrophobicContact CE1-CG2 4.46Å
381	G	85.2	Confident	83.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-79.3	-177.3	0	0	0	0	0	113.8	P378 P876 P879 C880	P378-G381 WeakPolarHBondContact O-CA 3.34Å; P378-G381 PolarHBondContact O-N 2.62Å; G381-P876 WeakPolarHBondContact O-CG 3.5Å; G381-P879 CarbonylContact O-C 3.51Å; G381-P879 WeakPolarHBondContact O-CA 3.31Å; G381-C880 PolarHBondContact O-N 3.35Å
382	I	70.3	Confident	83.6	Confident	136 Å²	136	29.9 Å²	29.9	70%	0.697	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-37.8	-167.7	-62.2	171.8	0	0	0	112.4	P378 P876 C880	P378-I382 PolarHBondContact O-N 3.21Å; I382-P876 HydrophobicContact CG1-CG 4.34Å; I382-C880 PolarHBondContact O-SG 2.93Å
383	K	63.5	Low	83.6	Confident	121 Å²	121	27.1 Å²	27.1	53%	0.526	16%	0.159	S	C	.	.			trans	176.9	151.2	164.3	-138.8	168.9	176.7	-166.8	0	109.2	F897	K383-F897 WeakPolarHBondContact CE-OXT 3.16Å; K383-F897 PolarHBondContact NZ-OXT 3.11Å
384	G	59.9	Low	83.7	Confident	11 Å²	11	26.9 Å²	26.9	11%	0.113	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-57.9	142.5	167.4	0	0	0	0	0	112.1	L896	G384-L896 PolarHBondContact N-O 2.88Å
385	G	58.1	Low	83.9	Confident	36 Å²	36	25.4 Å²	25.4	37%	0.371	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-81.7	121.5	179.9	0	0	0	0	0	111.2	A387 N401	G385-A387 PolarHBondContact O-N 2.92Å; G385-N401 PolarHBondContact N-OD1 3.46Å; G385-N401 VanDerWaalsContact N-OD1 3.13Å; G385-N401 PolarHBondContact O-ND2 3.09Å; G385-N401 PolarHBondContact O-OD1 3.43Å
386	A	58.4	Low	84	Confident	35 Å²	35	25.4 Å²	25.4	29%	0.289	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-65.8	130.9	170.4	0	0	0	0	0	110.1	G388 M397	A386-G388 CarbonylContact C-O 3.57Å; A386-G388 WeakPolarHBondContact CB-O 3.21Å; A386-G388 PolarHBondContact O-N 2.81Å; A386-M397 VanDerWaalsContact CA-CE 3.47Å; A386-M397 HydrophobicContact CB-CE 3.52Å; A386-M397 HydrophobicContact CB-SD 4.18Å
387	A	76.1	Confident	84.2	Confident	6 Å²	6	23.7 Å²	23.7	5%	0.05	14%	0.14	C	C	.	.	S	Bend	trans	-75	55.4	172.1	0	0	0	0	0	109.9	G385 Q393 V394 F400	G385-A387 PolarHBondContact O-N 2.92Å; A387-Q393 CarbonylContact O-C 3.55Å; A387-Q393 WeakPolarHBondContact O-CA 3.4Å; A387-V394 HydrophobicContact CB-CB 3.64Å; A387-V394 HydrophobicContact CB-CG2 3.92Å; A387-V394 PolarHBondContact O-N 3.33Å; A387-F400 HydrophobicContact CB-CD1 3.52Å; A387-F400 HydrophobicContact CB-CD2 3.79Å; A387-F400 HydrophobicContact CB-CE1 3.35Å; A387-F400 HydrophobicContact CB-CE2 3.65Å; A387-F400 HydrophobicContact CB-CG 3.73Å; A387-F400 HydrophobicContact CB-CZ 3.44Å; A387-F400 VanDerWaalsContact CB-CZ 3.44Å
388	G	90.2	Very high	84.3	Confident	7 Å²	7	25.3 Å²	25.3	7%	0.072	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.4	-143.1	-159.4	0	0	0	0	0	112.1	A386 S392	A386-G388 CarbonylContact C-O 3.57Å; A386-G388 WeakPolarHBondContact CB-O 3.21Å; A386-G388 PolarHBondContact O-N 2.81Å; G388-S392 CarbonylContact C-O 3.52Å; G388-S392 WeakPolarHBondContact CA-O 3.43Å
389	G	93.5	Very high	84.6	Confident	2 Å²	2	25.3 Å²	25.3	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	156.2	175.6	0	0	0	0	0	112.3	T350 Y391 S392 W750	T350-G389 WeakPolarHBondContact CG2-O 3.1Å; T350-G389 PolarHBondContact OG1-N 3.38Å; G389-Y391 PolarHBondContact O-N 2.95Å; G389-S392 PolarHBondContact N-O 3.5Å; G389-S392 CarbonylContact O-C 3.59Å; G389-S392 PolarHBondContact O-N 3.16Å; G389-W750 VanDerWaalsContact C-CD1 3.41Å
390	G	95	Very high	84.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-129.4	-177.8	0	0	0	0	0	111.4	D281 S392 Q393 W750	D281-G390 WeakPolarHBondContact OD1-CA 3.49Å; D281-G390 PolarHBondContact OD1-N 3.37Å; G390-S392 VanDerWaalsContact C-N 3.26Å; G390-S392 PolarHBondContact O-N 3.42Å; G390-Q393 VanDerWaalsContact O-CD 3.25Å; G390-Q393 VanDerWaalsContact O-CG 3.3Å; G390-Q393 WeakPolarHBondContact O-CG 3.36Å; G390-Q393 PolarHBondContact O-NE2 2.97Å; G390-W750 CarbonylContact C-O 3.54Å; G390-W750 VanDerWaalsContact CA-O 3.31Å; G390-W750 WeakPolarHBondContact CA-O 3.42Å
391	Y	97.6	Very high	84.8	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.016	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	7	176.4	-73.7	-77.9	0	0	0	114.6	L272 S273 L274 Q275 V278 I284 Q357 G389 L589 W750 A751	L272-Y391 HydrophobicContact CD1-CD1 4.34Å; S273-Y391 PolarHBondContact O-OH 3.29Å; L274-Y391 WeakPolarHBondContact CA-OH 3.37Å; L274-Y391 HydrophobicContact CD2-CD1 3.66Å; L274-Y391 HydrophobicContact CD2-CD2 3.68Å; L274-Y391 HydrophobicContact CD2-CE1 3.86Å; L274-Y391 HydrophobicContact CD2-CE2 3.87Å; L274-Y391 HydrophobicContact CD2-CG 3.56Å; Q275-Y391 PolarHBondContact N-OH 3.27Å; V278-Y391 HydrophobicContact CG1-CD2 4.31Å; V278-Y391 HydrophobicContact CG1-CE2 4.05Å; V278-Y391 HydrophobicContact CG2-CE2 4.46Å; I284-Y391 HydrophobicContact CD1-CD2 4.21Å; I284-Y391 HydrophobicContact CD1-CE1 4.43Å; I284-Y391 HydrophobicContact CD1-CE2 4.05Å; I284-Y391 HydrophobicContact CD1-CG 4.48Å; I284-Y391 HydrophobicContact CG1-CE1 4.35Å; I284-Y391 HydrophobicContact CG2-CD1 3.75Å; I284-Y391 HydrophobicContact CG2-CE1 3.81Å; I284-Y391 HydrophobicContact CG2-CG 4.43Å; Q357-Y391 PolarHBondContact NE2-O 3.07Å; Q357-Y391 PolarHBondContact OE1-O 3.37Å; G389-Y391 PolarHBondContact O-N 2.95Å; Y391-L589 VanDerWaalsContact C-CD1 3.49Å; Y391-L589 WeakPolarHBondContact O-CD1 3.47Å; Y391-W750 PolarHBondContact N-O 2.95Å; Y391-A751 VanDerWaalsContact CD2-O 3.24Å; Y391-A751 WeakPolarHBondContact CD2-O 3.31Å
392	S	97.7	Very high	85.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	77.5	176.1	-64.4	0	0	0	0	111.3	T350 G354 Q357 G388 G389 G390 H749	T350-S392 WeakPolarHBondContact O-CB 3.48Å; G354-S392 WeakPolarHBondContact CA-OG 3.45Å; Q357-S392 VanDerWaalsContact OE1-CA 3.29Å; G388-S392 CarbonylContact C-O 3.52Å; G388-S392 WeakPolarHBondContact CA-O 3.43Å; G389-S392 PolarHBondContact N-O 3.5Å; G389-S392 CarbonylContact O-C 3.59Å; G389-S392 PolarHBondContact O-N 3.16Å; G390-S392 VanDerWaalsContact C-N 3.26Å; G390-S392 PolarHBondContact O-N 3.42Å; S392-H749 WeakPolarHBondContact OG-CB 3.29Å; S392-H749 PolarHBondContact OG-O 2.96Å
393	Q	95.9	Very high	86.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.1	-175.8	-59.6	176.5	13.4	0	0	113	D281 A387 G390 I395 T588 L589	D281-Q393 VanDerWaalsContact CB-NE2 3.31Å; D281-Q393 PolarHBondContact O-NE2 2.9Å; D281-Q393 PolarHBondContact O-OE1 3.17Å; D281-Q393 PolarHBondContact OD1-NE2 2.8Å; A387-Q393 CarbonylContact O-C 3.55Å; A387-Q393 WeakPolarHBondContact O-CA 3.4Å; G390-Q393 VanDerWaalsContact O-CD 3.25Å; G390-Q393 VanDerWaalsContact O-CG 3.3Å; G390-Q393 WeakPolarHBondContact O-CG 3.36Å; G390-Q393 PolarHBondContact O-NE2 2.97Å; Q393-I395 HydrophobicContact CB-CG2 4.4Å; Q393-T588 CarbonylContact O-C 3.59Å; Q393-T588 WeakPolarHBondContact O-CA 3.46Å; Q393-L589 HydrophobicContact CB-CD1 3.89Å; Q393-L589 HydrophobicContact CB-CG 4.23Å; Q393-L589 HydrophobicContact CG-CD1 4.16Å; Q393-L589 PolarHBondContact O-N 2.88Å
394	V	97.2	Very high	87.7	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134	159.7	-170.1	0	0	0	0	109	V353 A387 F400 M586 Q587 V594 V596	V353-V394 HydrophobicContact CG2-CG2 3.95Å; A387-V394 HydrophobicContact CB-CB 3.64Å; A387-V394 HydrophobicContact CB-CG2 3.92Å; A387-V394 PolarHBondContact O-N 3.33Å; V394-F400 HydrophobicContact CB-CD2 4.27Å; V394-F400 HydrophobicContact CB-CE2 4.36Å; V394-F400 HydrophobicContact CG1-CD2 4.09Å; V394-F400 HydrophobicContact CG1-CE2 4.37Å; V394-M586 HydrophobicContact CG1-CB 3.98Å; V394-M586 HydrophobicContact CG1-SD 4.35Å; V394-Q587 WeakPolarHBondContact CA-O 3.42Å; V394-Q587 WeakPolarHBondContact CG1-O 3.34Å; V394-V594 HydrophobicContact CG1-CB 4.24Å; V394-V594 HydrophobicContact CG1-CG1 4.15Å; V394-V594 HydrophobicContact CG1-CG2 4.29Å; V394-V594 HydrophobicContact CG2-CG1 3.92Å; V394-V594 HydrophobicContact CG2-CG2 4.16Å; V394-V596 HydrophobicContact CG1-CG2 4.41Å
395	I	95.6	Very high	89.4	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152	-176.1	59.6	164.2	0	0	0	112.1	S285 C288 P290 Q393 Q587 L589	S285-I395 WeakPolarHBondContact OG-CG2 3.38Å; C288-I395 HydrophobicContact CB-CD1 4.16Å; P290-I395 HydrophobicContact CB-CD1 4.18Å; P290-I395 HydrophobicContact CG-CD1 4.16Å; Q393-I395 HydrophobicContact CB-CG2 4.4Å; I395-Q587 HydrophobicContact CG1-CG 4.05Å; I395-Q587 PolarHBondContact N-O 3.38Å; I395-L589 HydrophobicContact CD1-CD2 4.23Å; I395-L589 HydrophobicContact CG2-CD2 3.66Å; I395-L589 HydrophobicContact CG2-CG 3.9Å
396	P	94.1	Very high	91.3	Very high	16 Å²	16	17.2 Å²	17.2	10%	0.104	10%	0.099	C	C	.	.			cis	-73.1	137.1	-5.5	-19.8	34.9	0	0	0	113.5	P290 T313 E398 E399 F400	P290-P396 HydrophobicContact CG-CG 3.95Å; T313-P396 HydrophobicContact CG2-CG 3.82Å; P396-E398 PolarHBondContact O-N 3.41Å; P396-E399 HydrophobicContact CB-CG 4.26Å; P396-E399 PolarHBondContact O-N 2.69Å; P396-F400 PolarHBondContact O-N 3.45Å
397	M	90.9	Very high	93.2	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-71.1	-29.9	-172.1	-173.8	158.8	148.2	0	0	113.9	D281 S285 A386 F400 N401 F897	D281-M397 HydrophobicContact CB-CE 4.05Å; D281-M397 HydrophobicContact CB-SD 4.29Å; S285-M397 PolarHBondContact OG-N 3.36Å; A386-M397 VanDerWaalsContact CA-CE 3.47Å; A386-M397 HydrophobicContact CB-CE 3.52Å; A386-M397 HydrophobicContact CB-SD 4.18Å; M397-F400 PolarHBondContact O-N 3.29Å; M397-N401 PolarHBondContact O-N 2.85Å; M397-N401 PolarHBondContact O-ND2 3.24Å; M397-F897 HydrophobicContact CB-CE2 4.43Å; M397-F897 HydrophobicContact CB-CZ 4.43Å; M397-F897 HydrophobicContact CE-CB 4.25Å; M397-F897 HydrophobicContact CE-CD1 3.18Å; M397-F897 HydrophobicContact CE-CD2 4.15Å; M397-F897 HydrophobicContact CE-CE1 3.37Å; M397-F897 HydrophobicContact CE-CE2 4.28Å; M397-F897 HydrophobicContact CE-CG 3.6Å; M397-F897 HydrophobicContact CE-CZ 3.94Å; M397-F897 HydrophobicContact CG-CE1 3.96Å; M397-F897 HydrophobicContact CG-CE2 3.94Å; M397-F897 HydrophobicContact CG-CZ 3.6Å
398	E	89.5	Confident	94.3	Very high	37 Å²	37	15.7 Å²	15.7	17%	0.173	9%	0.085	C	C	.	.	H	α-helix	trans	-66.2	-48.5	176.1	-65.3	153.7	130.2	0	0	110.9	I282 R286 P396 F400 N401 L402 L896 F897	I282-E398 HydrophobicContact CD1-CG 3.91Å; R286-E398 IonicContact CZ-OE1 2.95Å; R286-E398 IonicContact NE-OE1 2.68Å; R286-E398 IonicContact NH2-OE1 2.71Å; R286-E398 PolarHBondContact NH2-OE1 3.07Å; P396-E398 PolarHBondContact O-N 3.41Å; E398-F400 VanDerWaalsContact C-N 3.26Å; E398-F400 PolarHBondContact O-N 3.11Å; E398-N401 PolarHBondContact O-N 3.36Å; E398-L402 WeakPolarHBondContact O-CG 3.22Å; E398-L402 PolarHBondContact O-N 3.23Å; E398-L896 HydrophobicContact CB-CD2 4.47Å; E398-L896 HydrophobicContact CG-CD2 4.35Å; E398-F897 HydrophobicContact CG-CE2 3.96Å
399	E	91.3	Very high	94.6	Very high	55 Å²	55	19.4 Å²	19.4	26%	0.257	10%	0.1	S	C	.	.	H	α-helix	trans	-62.1	-35.6	177.8	-63.1	-169	-129.5	0	0	112.1	T313 K314 P396 N401 L404	T313-E399 PolarHBondContact OG1-OE1 2.82Å; T313-E399 PolarHBondContact OG1-OE2 2.68Å; K314-E399 WeakPolarHBondContact CD-OE2 3.31Å; K314-E399 WeakPolarHBondContact CE-OE2 3.08Å; K314-E399 IonicContact NZ-OE2 3.16Å; K314-E399 PolarHBondContact NZ-OE2 3.01Å; P396-E399 HydrophobicContact CB-CG 4.26Å; P396-E399 PolarHBondContact O-N 2.69Å; E399-N401 VanDerWaalsContact C-N 3.33Å; E399-N401 PolarHBondContact O-N 3.43Å; E399-L404 WeakPolarHBondContact O-CA 3.34Å; E399-L404 PolarHBondContact O-N 2.84Å
400	F	91.1	Very high	94.9	Very high	10 Å²	10	20.3 Å²	20.3	4%	0.044	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-35.3	176.7	-176.3	-84.2	0	0	0	113.2	V371 R372 P374 A387 V394 P396 M397 E398 M586 V596	V371-F400 HydrophobicContact CG2-CE2 4.01Å; V371-F400 HydrophobicContact CG2-CZ 4.3Å; R372-F400 WeakPolarHBondContact O-CZ 3.36Å; P374-F400 HydrophobicContact CB-CE1 4.44Å; P374-F400 WeakPolarHBondContact CD-O 3.09Å; P374-F400 HydrophobicContact CG-CD1 3.67Å; P374-F400 HydrophobicContact CG-CE1 3.49Å; P374-F400 VanDerWaalsContact CG-CE1 3.49Å; P374-F400 HydrophobicContact CG-CZ 4.43Å; P374-F400 WeakPolarHBondContact CG-O 3.14Å; A387-F400 HydrophobicContact CB-CD1 3.52Å; A387-F400 HydrophobicContact CB-CD2 3.79Å; A387-F400 HydrophobicContact CB-CE1 3.35Å; A387-F400 HydrophobicContact CB-CE2 3.65Å; A387-F400 HydrophobicContact CB-CG 3.73Å; A387-F400 HydrophobicContact CB-CZ 3.44Å; A387-F400 VanDerWaalsContact CB-CZ 3.44Å; V394-F400 HydrophobicContact CB-CD2 4.27Å; V394-F400 HydrophobicContact CB-CE2 4.36Å; V394-F400 HydrophobicContact CG1-CD2 4.09Å; V394-F400 HydrophobicContact CG1-CE2 4.37Å; P396-F400 PolarHBondContact O-N 3.45Å; M397-F400 PolarHBondContact O-N 3.29Å; E398-F400 VanDerWaalsContact C-N 3.26Å; E398-F400 PolarHBondContact O-N 3.11Å; F400-M586 HydrophobicContact CB-CE 4.47Å; F400-M586 HydrophobicContact CD2-SD 4.15Å; F400-V596 HydrophobicContact CD2-CG1 4.02Å; F400-V596 HydrophobicContact CD2-CG2 3.87Å; F400-V596 HydrophobicContact CE2-CB 4.2Å; F400-V596 HydrophobicContact CE2-CG1 3.53Å; F400-V596 HydrophobicContact CE2-CG2 3.56Å; F400-V596 HydrophobicContact CZ-CG1 4.19Å
401	N	89.9	Confident	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-97.1	-9.8	-171.3	-83.8	-77.8	0	0	0	115.6	T379 G385 M397 E398 E399 F897	T379-N401 PolarHBondContact OG1-O 3.28Å; G385-N401 PolarHBondContact N-OD1 3.46Å; G385-N401 VanDerWaalsContact N-OD1 3.13Å; G385-N401 PolarHBondContact O-ND2 3.09Å; G385-N401 PolarHBondContact O-OD1 3.43Å; M397-N401 PolarHBondContact O-N 2.85Å; M397-N401 PolarHBondContact O-ND2 3.24Å; E398-N401 PolarHBondContact O-N 3.36Å; E399-N401 VanDerWaalsContact C-N 3.33Å; E399-N401 PolarHBondContact O-N 3.43Å; N401-F897 HydrophobicContact CB-CE1 4.2Å; N401-F897 HydrophobicContact CB-CZ 3.92Å; N401-F897 WeakPolarHBondContact ND2-CE1 3.49Å; N401-F897 WeakPolarHBondContact ND2-CZ 3.49Å
402	L	90.9	Very high	95.1	Very high	38 Å²	38	21.2 Å²	21.2	20%	0.199	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-121.7	-179.7	-64	176.3	0	0	0	109.8	T379 F380 E398 L896	T379-L402 HydrophobicContact CG2-CD2 4.44Å; F380-L402 HydrophobicContact CE2-CD2 3.98Å; F380-L402 HydrophobicContact CZ-CD2 3.82Å; E398-L402 WeakPolarHBondContact O-CG 3.22Å; E398-L402 PolarHBondContact O-N 3.23Å; L402-L896 HydrophobicContact CD1-CD2 4.29Å; L402-L896 HydrophobicContact CD2-CD1 4.34Å; L402-L896 HydrophobicContact CD2-CD2 4.32Å; L402-L896 HydrophobicContact CG-CD2 4.2Å
403	H	93.8	Very high	95.1	Very high	98 Å²	98	23.5 Å²	23.5	45%	0.454	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.1	-170.8	-54	-45.9	0	0	0	114	Q376 T405 G406 H409	Q376-H403 PolarHBondContact OE1-CE1 3.48Å; Q376-H403 PolarHBondContact OE1-ND1 3.48Å; H403-T405 PolarHBondContact O-N 3.35Å; H403-G406 PolarHBondContact O-N 3.47Å; H403-H409 AromaticContact CG-NE2 3.79Å; H403-H409 AromaticContact ND1-CE1 3.83Å; H403-H409 AromaticContact ND1-NE2 3.28Å; H403-H409 PolarHBondContact ND1-NE2 2.87Å
404	L	94.8	Very high	95.3	Very high	15 Å²	15	23.5 Å²	23.5	8%	0.079	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-104.8	-171.9	-169.9	67.2	0	0	0	111.5	K314 Q373 E399 N584 M586 V596	K314-L404 HydrophobicContact CD-CD1 4.19Å; K314-L404 WeakPolarHBondContact CE-O 3.36Å; Q373-L404 HydrophobicContact CG-CD2 3.95Å; E399-L404 WeakPolarHBondContact O-CA 3.34Å; E399-L404 PolarHBondContact O-N 2.84Å; L404-N584 HydrophobicContact CD2-CB 4.26Å; L404-M586 HydrophobicContact CD1-CE 4.38Å; L404-M586 HydrophobicContact CD1-SD 3.55Å; L404-M586 VanDerWaalsContact CD1-SD 3.55Å; L404-V596 HydrophobicContact CD2-CB 4.21Å; L404-V596 HydrophobicContact CD2-CG1 3.83Å
405	T	96.9	Very high	95.4	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.098	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	6.9	178.8	53.6	0	0	0	0	113.6	Y310 K314 K316 H403 D407 N584	Y310-T405 HydrophobicContact CD1-CG2 3.98Å; Y310-T405 HydrophobicContact CD2-CG2 4.08Å; Y310-T405 HydrophobicContact CE1-CG2 4.29Å; Y310-T405 HydrophobicContact CE2-CG2 4.4Å; Y310-T405 HydrophobicContact CG-CG2 3.87Å; K314-T405 HydrophobicContact CD-CG2 4.45Å; K316-T405 HydrophobicContact CG-CG2 4.41Å; K316-T405 PolarHBondContact NZ-OG1 2.92Å; H403-T405 PolarHBondContact O-N 3.35Å; T405-D407 PolarHBondContact OG1-OD1 2.91Å; T405-D407 PolarHBondContact OG1-OD2 3.48Å; T405-N584 HydrophobicContact CG2-CB 4.36Å; T405-N584 VanDerWaalsContact CG2-OD1 3.28Å; T405-N584 WeakPolarHBondContact CG2-OD1 3.4Å; T405-N584 VanDerWaalsContact OG1-CG 3.28Å; T405-N584 PolarHBondContact OG1-ND2 3.44Å; T405-N584 PolarHBondContact OG1-OD1 3.47Å
406	G	97.5	Very high	95.5	Very high	21 Å²	21	25.8 Å²	25.8	22%	0.216	15%	0.145	C	C	.	.	S	Bend	trans	88.2	11.6	178	0	0	0	0	0	116	H403 I408 H409 A410	H403-G406 PolarHBondContact O-N 3.47Å; G406-I408 PolarHBondContact O-N 2.97Å; G406-H409 WeakPolarHBondContact O-CB 3.45Å; G406-H409 PolarHBondContact O-N 2.93Å; G406-A410 PolarHBondContact O-N 3.39Å
407	D	98.3	Very high	95.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-43.4	-174.8	-58.7	-3.3	0	0	0	112.1	K316 T405 H409 A410 I411 A580 N584 H597	K316-D407 VanDerWaalsContact CE-OD1 3.31Å; K316-D407 WeakPolarHBondContact CE-OD1 3.5Å; K316-D407 IonicContact NZ-OD1 3.39Å; K316-D407 PolarHBondContact NZ-OD1 2.64Å; K316-D407 IonicContact NZ-OD2 3.48Å; K316-D407 PolarHBondContact NZ-OD2 2.98Å; T405-D407 PolarHBondContact OG1-OD1 2.91Å; T405-D407 PolarHBondContact OG1-OD2 3.48Å; D407-H409 VanDerWaalsContact C-N 3.3Å; D407-H409 PolarHBondContact O-N 2.9Å; D407-A410 WeakPolarHBondContact O-CB 3.41Å; D407-A410 PolarHBondContact O-N 3.47Å; D407-I411 WeakPolarHBondContact O-CG1 3.09Å; D407-I411 PolarHBondContact O-N 2.78Å; D407-I411 VanDerWaalsContact O-N 3.11Å; D407-A580 HydrophobicContact CB-CB 4.22Å; D407-N584 PolarHBondContact OD2-ND2 2.91Å; D407-H597 IonicContact OD2-CD2 3.51Å
408	I	97.8	Very high	96.1	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-33.1	176.2	-62.7	177.9	0	0	0	111.4	Q373 P374 G406 I411 T412 D497 T526 V527 M532	Q373-I408 HydrophobicContact CG-CD1 4.04Å; P374-I408 WeakPolarHBondContact O-CD1 3.48Å; G406-I408 PolarHBondContact O-N 2.97Å; I408-I411 PolarHBondContact O-N 3.05Å; I408-T412 PolarHBondContact O-N 2.77Å; I408-T412 PolarHBondContact O-OG1 3.11Å; I408-D497 HydrophobicContact CG2-CB 3.9Å; I408-T526 HydrophobicContact CG2-CG2 3.57Å; I408-T526 WeakPolarHBondContact O-CG2 3.41Å; I408-V527 HydrophobicContact CD1-CG1 4.04Å; I408-M532 HydrophobicContact CG1-CE 3.94Å
409	H	98.3	Very high	96.5	Very high	86 Å²	86	26.4 Å²	26.4	40%	0.398	15%	0.148	S	C	.	.	H	α-helix	trans	-66.7	-42.2	175.6	-60.4	-43.9	0	0	0	111.3	H403 G406 D407 I411 T412 A413	H403-H409 AromaticContact CG-NE2 3.79Å; H403-H409 AromaticContact ND1-CE1 3.83Å; H403-H409 AromaticContact ND1-NE2 3.28Å; H403-H409 PolarHBondContact ND1-NE2 2.87Å; G406-H409 WeakPolarHBondContact O-CB 3.45Å; G406-H409 PolarHBondContact O-N 2.93Å; D407-H409 VanDerWaalsContact C-N 3.3Å; D407-H409 PolarHBondContact O-N 2.9Å; H409-I411 VanDerWaalsContact C-N 3.32Å; H409-I411 PolarHBondContact O-N 3.42Å; H409-T412 WeakPolarHBondContact O-CB 3.23Å; H409-T412 PolarHBondContact O-N 2.84Å; H409-A413 PolarHBondContact O-N 3.42Å
410	A	98.6	Very high	96.9	Very high	20 Å²	20	26 Å²	26	17%	0.165	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-42.6	174.6	0	0	0	0	0	111.8	G406 D407 A413 A414 M577 A580	G406-A410 PolarHBondContact O-N 3.39Å; D407-A410 WeakPolarHBondContact O-CB 3.41Å; D407-A410 PolarHBondContact O-N 3.47Å; A410-A413 PolarHBondContact O-N 3.44Å; A410-A414 VanDerWaalsContact O-CB 3.29Å; A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 2.87Å; A410-M577 HydrophobicContact CB-SD 4.16Å; A410-A580 HydrophobicContact CB-CB 3.88Å
411	I	98.6	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174.5	-65	166.9	0	0	0	111	D407 I408 H409 A413 A414 N415 T526 I531 M532 L535 M577	D407-I411 WeakPolarHBondContact O-CG1 3.09Å; D407-I411 PolarHBondContact O-N 2.78Å; D407-I411 VanDerWaalsContact O-N 3.11Å; I408-I411 PolarHBondContact O-N 3.05Å; H409-I411 VanDerWaalsContact C-N 3.32Å; H409-I411 PolarHBondContact O-N 3.42Å; I411-A413 PolarHBondContact O-N 3.43Å; I411-A414 PolarHBondContact O-N 2.81Å; I411-N415 VanDerWaalsContact O-CB 3.26Å; I411-N415 WeakPolarHBondContact O-CB 3.48Å; I411-N415 PolarHBondContact O-N 3.39Å; I411-T526 HydrophobicContact CB-CG2 3.92Å; I411-T526 HydrophobicContact CG2-CG2 3.6Å; I411-I531 HydrophobicContact CG1-CG2 4.19Å; I411-I531 HydrophobicContact CG2-CB 4.13Å; I411-I531 HydrophobicContact CG2-CG2 4.12Å; I411-M532 HydrophobicContact CD1-CB 4.14Å; I411-M532 HydrophobicContact CD1-CE 3.25Å; I411-M532 HydrophobicContact CD1-CG 4.47Å; I411-M532 HydrophobicContact CD1-SD 3.6Å; I411-M532 VanDerWaalsContact CD1-SD 3.6Å; I411-M532 HydrophobicContact CG2-CB 4.48Å; I411-L535 HydrophobicContact CD1-CD2 3.9Å; I411-M577 HydrophobicContact CD1-CE 4.4Å; I411-M577 HydrophobicContact CG1-CE 3.59Å; I411-M577 HydrophobicContact CG1-SD 3.93Å
412	T	98.6	Very high	97.6	Very high	23 Å²	23	26.4 Å²	26.4	14%	0.141	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-48.9	178.5	-56.2	0	0	0	0	110.8	I408 H409 N416 V495 T526	I408-T412 PolarHBondContact O-N 2.77Å; I408-T412 PolarHBondContact O-OG1 3.11Å; H409-T412 WeakPolarHBondContact O-CB 3.23Å; H409-T412 PolarHBondContact O-N 2.84Å; T412-N416 WeakPolarHBondContact O-CB 3.47Å; T412-N416 PolarHBondContact O-N 3.03Å; T412-N416 PolarHBondContact O-ND2 3.3Å; T412-V495 HydrophobicContact CG2-CG2 4.29Å; T412-T526 WeakPolarHBondContact OG1-CG2 3.31Å; T412-T526 PolarHBondContact OG1-OG1 2.89Å
413	A	98.8	Very high	97.9	Very high	48 Å²	48	26.1 Å²	26.1	40%	0.397	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-46.7	177.9	0	0	0	0	0	112	H409 A410 I411 N416 L417	H409-A413 PolarHBondContact O-N 3.42Å; A410-A413 PolarHBondContact O-N 3.44Å; I411-A413 PolarHBondContact O-N 3.43Å; A413-N416 PolarHBondContact O-N 3.42Å; A413-L417 WeakPolarHBondContact O-CB 3.17Å; A413-L417 PolarHBondContact O-N 3.46Å
414	A	98.7	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-45.8	179.8	0	0	0	0	0	112.1	A410 I411 N416 L417 V418 I531 L573 L576 M577	A410-A414 VanDerWaalsContact O-CB 3.29Å; A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 2.87Å; I411-A414 PolarHBondContact O-N 2.81Å; A414-N416 PolarHBondContact O-N 2.93Å; A414-L417 WeakPolarHBondContact O-CB 3.47Å; A414-L417 PolarHBondContact O-N 2.87Å; A414-V418 PolarHBondContact O-N 3.42Å; A414-I531 HydrophobicContact CB-CD1 3.79Å; A414-L573 HydrophobicContact CB-CD2 3.96Å; A414-L573 VanDerWaalsContact O-CD2 3.27Å; A414-L573 WeakPolarHBondContact O-CD2 3.38Å; A414-L576 HydrophobicContact CB-CB 4.24Å; A414-L576 HydrophobicContact CB-CD1 4.04Å; A414-M577 HydrophobicContact CB-CG 4.4Å; A414-M577 HydrophobicContact CB-SD 4.26Å
415	N	98.8	Very high	98.1	Very high	5 Å²	5	24 Å²	24	3%	0.027	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-44.9	179.7	-174	102.6	0	0	0	111.5	I411 L417 V418 A419 W492 Q493 V495 S529 I531	I411-N415 VanDerWaalsContact O-CB 3.26Å; I411-N415 WeakPolarHBondContact O-CB 3.48Å; I411-N415 PolarHBondContact O-N 3.39Å; N415-L417 VanDerWaalsContact C-N 3.32Å; N415-L417 PolarHBondContact O-N 2.88Å; N415-V418 PolarHBondContact O-N 3.43Å; N415-A419 PolarHBondContact O-N 2.82Å; N415-A419 VanDerWaalsContact O-N 3.1Å; N415-W492 HydrophobicContact CB-CZ2 4.48Å; N415-W492 PolarHBondContact O-NE1 3.44Å; N415-W492 VanDerWaalsContact OD1-CZ2 3.29Å; N415-W492 WeakPolarHBondContact OD1-CZ2 3.16Å; N415-Q493 PolarHBondContact ND2-O 2.97Å; N415-V495 HydrophobicContact CB-CG2 3.63Å; N415-S529 PolarHBondContact OD1-OG 3.02Å; N415-I531 HydrophobicContact CB-CD1 4.12Å
416	N	98.7	Very high	98	Very high	44 Å²	44	25 Å²	25	24%	0.235	16%	0.158	C	C	.	.	H	α-helix	trans	-72.2	-26.7	-179.1	-70	-20.5	0	0	0	112.4	T412 A413 A414 A419 A420 R494 V495	T412-N416 WeakPolarHBondContact O-CB 3.47Å; T412-N416 PolarHBondContact O-N 3.03Å; T412-N416 PolarHBondContact O-ND2 3.3Å; A413-N416 PolarHBondContact O-N 3.42Å; A414-N416 PolarHBondContact O-N 2.93Å; N416-A419 PolarHBondContact O-N 3.09Å; N416-A420 WeakPolarHBondContact O-CB 3.2Å; N416-A420 PolarHBondContact O-N 3.13Å; N416-R494 WeakPolarHBondContact OD1-CA 3.49Å; N416-R494 WeakPolarHBondContact OD1-CB 3.48Å; N416-V495 PolarHBondContact ND2-O 2.76Å; N416-V495 PolarHBondContact OD1-N 3.36Å
417	L	98.8	Very high	98	Very high	66 Å²	66	26.3 Å²	26.3	35%	0.346	16%	0.158	S	C	.	.	H	α-helix	trans	-63	-43.1	168.6	177.5	61.5	0	0	0	111.6	A413 A414 N415 A420 A421 A572 L573 L576	A413-L417 WeakPolarHBondContact O-CB 3.17Å; A413-L417 PolarHBondContact O-N 3.46Å; A414-L417 WeakPolarHBondContact O-CB 3.47Å; A414-L417 PolarHBondContact O-N 2.87Å; N415-L417 VanDerWaalsContact C-N 3.32Å; N415-L417 PolarHBondContact O-N 2.88Å; L417-A420 PolarHBondContact O-N 2.86Å; L417-A421 WeakPolarHBondContact O-CB 3.31Å; L417-A421 PolarHBondContact O-N 3.42Å; L417-A572 HydrophobicContact CD2-CB 3.98Å; L417-L573 HydrophobicContact CD2-CD2 4.31Å; L417-L576 HydrophobicContact CD2-CD1 3.85Å
418	V	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-46.5	174.7	178.2	0	0	0	0	110.8	A414 N415 A420 A421 V422 W492 V553 T564 L567 V569 L573	A414-V418 PolarHBondContact O-N 3.42Å; N415-V418 PolarHBondContact O-N 3.43Å; V418-A420 VanDerWaalsContact C-N 3.32Å; V418-A420 PolarHBondContact O-N 2.83Å; V418-A421 WeakPolarHBondContact O-CB 3.22Å; V418-A421 PolarHBondContact O-N 3.27Å; V418-A421 VanDerWaalsContact O-N 3.11Å; V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.03Å; V418-W492 HydrophobicContact CB-CD2 4.48Å; V418-W492 HydrophobicContact CB-CZ2 4.09Å; V418-W492 HydrophobicContact CG1-CD2 3.83Å; V418-W492 HydrophobicContact CG1-CG 3.91Å; V418-W492 HydrophobicContact CG1-CZ2 4.15Å; V418-W492 HydrophobicContact CG2-CZ2 4.21Å; V418-V553 HydrophobicContact CG1-CG1 3.56Å; V418-T564 HydrophobicContact CG1-CG2 3.92Å; V418-T564 HydrophobicContact CG2-CG2 4.08Å; V418-L567 HydrophobicContact CG1-CD1 4.43Å; V418-V569 HydrophobicContact CG2-CG2 4.22Å; V418-L573 HydrophobicContact CG2-CD1 3.58Å; V418-L573 HydrophobicContact CG2-CD2 3.6Å; V418-L573 HydrophobicContact CG2-CG 4.16Å
419	A	98.4	Very high	97.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-43.4	178	0	0	0	0	0	112	N415 N416 A421 V422 D423 R494	N415-A419 PolarHBondContact O-N 2.82Å; N415-A419 VanDerWaalsContact O-N 3.1Å; N416-A419 PolarHBondContact O-N 3.09Å; A419-A421 VanDerWaalsContact C-N 3.34Å; A419-V422 PolarHBondContact O-N 2.73Å; A419-D423 PolarHBondContact O-N 2.83Å; A419-R494 HydrophobicContact CB-CG 3.58Å
420	A	98.3	Very high	97.5	Very high	47 Å²	47	28.8 Å²	28.8	39%	0.388	18%	0.178	S	C	.	.	H	α-helix	trans	-63.4	-39.3	174.8	0	0	0	0	0	112.3	N416 L417 V418 D423 A424	N416-A420 WeakPolarHBondContact O-CB 3.2Å; N416-A420 PolarHBondContact O-N 3.13Å; L417-A420 PolarHBondContact O-N 2.86Å; V418-A420 VanDerWaalsContact C-N 3.32Å; V418-A420 PolarHBondContact O-N 2.83Å; A420-D423 PolarHBondContact O-N 2.8Å; A420-A424 VanDerWaalsContact O-CB 3.27Å; A420-A424 WeakPolarHBondContact O-CB 3.43Å; A420-A424 PolarHBondContact O-N 3.35Å
421	A	98.1	Very high	97.3	Very high	18 Å²	18	30 Å²	30	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-38.5	178.5	0	0	0	0	0	112.8	L417 V418 A419 R425 L567 V569	L417-A421 WeakPolarHBondContact O-CB 3.31Å; L417-A421 PolarHBondContact O-N 3.42Å; V418-A421 WeakPolarHBondContact O-CB 3.22Å; V418-A421 PolarHBondContact O-N 3.27Å; V418-A421 VanDerWaalsContact O-N 3.11Å; A419-A421 VanDerWaalsContact C-N 3.34Å; A421-R425 WeakPolarHBondContact O-CB 3.3Å; A421-R425 PolarHBondContact O-N 3.37Å; A421-L567 HydrophobicContact CB-CD1 4.45Å; A421-V569 HydrophobicContact CB-CG1 3.59Å
422	V	98	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-53	172.5	171.3	0	0	0	0	110.1	V418 A419 R425 M426 V490 V553 L567	V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.03Å; A419-V422 PolarHBondContact O-N 2.73Å; V422-R425 PolarHBondContact O-N 3.2Å; V422-M426 HydrophobicContact CG1-SD 3.87Å; V422-M426 WeakPolarHBondContact O-CG 3.42Å; V422-M426 PolarHBondContact O-N 3.13Å; V422-V490 HydrophobicContact CG1-CG1 4.1Å; V422-V490 HydrophobicContact CG1-CG2 4.23Å; V422-V553 HydrophobicContact CG2-CB 3.94Å; V422-V553 HydrophobicContact CG2-CG1 4.41Å; V422-V553 HydrophobicContact CG2-CG2 3.9Å; V422-L567 HydrophobicContact CG2-CD1 3.73Å
423	D	96.9	Very high	97	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.171	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-45	-176.1	-64.5	-31.2	0	0	0	111.8	A419 A420 R425 M426 F427 R494 I508 R519	A419-D423 PolarHBondContact O-N 2.83Å; A420-D423 PolarHBondContact O-N 2.8Å; D423-R425 VanDerWaalsContact C-N 3.3Å; D423-R425 PolarHBondContact O-N 3.09Å; D423-M426 PolarHBondContact O-N 3.26Å; D423-F427 WeakPolarHBondContact O-CB 3.3Å; D423-F427 PolarHBondContact O-N 3.25Å; D423-R494 IonicContact OD2-CZ 2.63Å; D423-R494 VanDerWaalsContact OD2-CZ 3.24Å; D423-R494 IonicContact OD2-NH1 3.54Å; D423-R494 PolarHBondContact OD2-NH1 3.41Å; D423-R494 IonicContact OD2-NH2 3.52Å; D423-R494 PolarHBondContact OD2-NH2 2.77Å; D423-I508 VanDerWaalsContact OD2-CD1 3.25Å; D423-I508 WeakPolarHBondContact OD2-CD1 3.49Å; D423-R519 IonicContact OD1-CZ 2.68Å; D423-R519 IonicContact OD1-NE 2.72Å; D423-R519 PolarHBondContact OD1-NE 2.7Å; D423-R519 IonicContact OD1-NH2 2.79Å; D423-R519 PolarHBondContact OD1-NH2 3.29Å; D423-R519 IonicContact OD2-NH2 2.91Å; D423-R519 PolarHBondContact OD2-NH2 2.83Å
424	A	96.6	Very high	96.8	Very high	42 Å²	42	34 Å²	34	35%	0.347	20%	0.202	S	C	.	.	H	α-helix	trans	-61	-40.9	176	0	0	0	0	0	111.5	A420 F427 H428	A420-A424 VanDerWaalsContact O-CB 3.27Å; A420-A424 WeakPolarHBondContact O-CB 3.43Å; A420-A424 PolarHBondContact O-N 3.35Å; A424-F427 PolarHBondContact O-N 3.25Å; A424-H428 WeakPolarHBondContact O-CB 3.31Å; A424-H428 PolarHBondContact O-CD2 3.48Å; A424-H428 PolarHBondContact O-N 3.18Å
425	R	96.4	Very high	96.5	Very high	26 Å²	26	41.1 Å²	41.1	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-48.4	178.5	-175.7	58.4	178	-126.2	-2.4	111.4	A421 V422 D423 F427 H428 E429 A481 L483 L567	A421-R425 WeakPolarHBondContact O-CB 3.3Å; A421-R425 PolarHBondContact O-N 3.37Å; V422-R425 PolarHBondContact O-N 3.2Å; D423-R425 VanDerWaalsContact C-N 3.3Å; D423-R425 PolarHBondContact O-N 3.09Å; R425-F427 VanDerWaalsContact C-N 3.35Å; R425-F427 PolarHBondContact O-N 3.2Å; R425-H428 PolarHBondContact O-N 3.2Å; R425-E429 IonicContact CZ-OE1 2.72Å; R425-E429 IonicContact NE-OE1 3.52Å; R425-E429 PolarHBondContact NE-OE1 3.37Å; R425-E429 IonicContact NH2-OE1 2.71Å; R425-E429 PolarHBondContact NH2-OE1 2.87Å; R425-E429 WeakPolarHBondContact O-CB 3.49Å; R425-E429 WeakPolarHBondContact O-CG 3.33Å; R425-E429 PolarHBondContact O-N 3.49Å; R425-A481 PolarHBondContact NH2-O 3.15Å; R425-L483 HydrophobicContact CG-CD1 3.82Å; R425-L483 HydrophobicContact CG-CG 4.16Å; R425-L567 HydrophobicContact CB-CD2 3.85Å; R425-L567 HydrophobicContact CG-CD2 4.01Å
426	M	96.3	Very high	96.3	Very high	37 Å²	37	42.2 Å²	42.2	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-44.8	177.3	-69.5	171.5	65.9	0	0	111.8	V422 D423 E429 A430 I485 P487 V490	V422-M426 HydrophobicContact CG1-SD 3.87Å; V422-M426 WeakPolarHBondContact O-CG 3.42Å; V422-M426 PolarHBondContact O-N 3.13Å; D423-M426 PolarHBondContact O-N 3.26Å; M426-E429 PolarHBondContact O-N 2.94Å; M426-A430 WeakPolarHBondContact O-CB 3.41Å; M426-A430 PolarHBondContact O-N 3.03Å; M426-I485 HydrophobicContact CE-CG2 4.46Å; M426-I485 HydrophobicContact CG-CB 4.08Å; M426-I485 HydrophobicContact CG-CD1 4.09Å; M426-I485 HydrophobicContact CG-CG2 4.06Å; M426-I485 HydrophobicContact SD-CG2 3.9Å; M426-P487 HydrophobicContact CE-CB 3.55Å; M426-P487 HydrophobicContact CE-CG 3.6Å; M426-V490 HydrophobicContact SD-CG2 4.12Å
427	F	96.3	Very high	96.2	Very high	48 Å²	48	40.4 Å²	40.4	21%	0.211	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-46.9	178.1	176.5	-97.9	0	0	0	112.4	D423 A424 R425 A430 T431 K515 Y517	D423-F427 WeakPolarHBondContact O-CB 3.3Å; D423-F427 PolarHBondContact O-N 3.25Å; A424-F427 PolarHBondContact O-N 3.25Å; R425-F427 VanDerWaalsContact C-N 3.35Å; R425-F427 PolarHBondContact O-N 3.2Å; F427-A430 PolarHBondContact O-N 3.05Å; F427-T431 HydrophobicContact CD2-CG2 4.27Å; F427-T431 HydrophobicContact CE2-CG2 4.01Å; F427-T431 HydrophobicContact CZ-CG2 4.16Å; F427-T431 WeakPolarHBondContact O-CB 3.44Å; F427-T431 VanDerWaalsContact O-CG2 3.32Å; F427-T431 WeakPolarHBondContact O-CG2 3.3Å; F427-T431 PolarHBondContact O-N 3.37Å; F427-T431 VanDerWaalsContact O-N 3.15Å; F427-T431 PolarHBondContact O-OG1 3.28Å; F427-K515 HydrophobicContact CE2-CB 4.37Å; F427-K515 HydrophobicContact CE2-CD 4.27Å; F427-K515 HydrophobicContact CE2-CG 4.26Å; F427-K515 HydrophobicContact CZ-CD 4.17Å; F427-K515 HydrophobicContact CZ-CG 4.41Å; F427-Y517 HydrophobicContact CD2-CD2 4.02Å; F427-Y517 HydrophobicContact CD2-CG 4.48Å; F427-Y517 HydrophobicContact CE2-CD2 4.17Å
428	H	95.9	Very high	96	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-69.2	-34.9	-179.3	-70.2	-37.9	0	0	0	112.8	A424 R425 Q432 L437	A424-H428 WeakPolarHBondContact O-CB 3.31Å; A424-H428 PolarHBondContact O-CD2 3.48Å; A424-H428 PolarHBondContact O-N 3.18Å; R425-H428 PolarHBondContact O-N 3.2Å; H428-Q432 PolarHBondContact ND1-NE2 3.34Å; H428-Q432 VanDerWaalsContact O-CB 3.31Å; H428-Q432 WeakPolarHBondContact O-CB 3.37Å; H428-Q432 VanDerWaalsContact O-CG 3.29Å; H428-Q432 WeakPolarHBondContact O-CG 3.45Å; H428-Q432 PolarHBondContact O-N 3.29Å; H428-L437 HydrophobicContact CB-CD1 4.19Å
429	E	95.4	Very high	95.8	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-49.9	170.1	-77.3	-168.4	-148.2	0	0	110.6	R425 M426 T431 L437 R482 L483 D484	R425-E429 IonicContact CZ-OE1 2.72Å; R425-E429 IonicContact NE-OE1 3.52Å; R425-E429 PolarHBondContact NE-OE1 3.37Å; R425-E429 IonicContact NH2-OE1 2.71Å; R425-E429 PolarHBondContact NH2-OE1 2.87Å; R425-E429 WeakPolarHBondContact O-CB 3.49Å; R425-E429 WeakPolarHBondContact O-CG 3.33Å; R425-E429 PolarHBondContact O-N 3.49Å; M426-E429 PolarHBondContact O-N 2.94Å; E429-T431 PolarHBondContact O-N 3.22Å; E429-T431 VanDerWaalsContact O-N 3.09Å; E429-L437 HydrophobicContact CG-CD2 3.68Å; E429-R482 VanDerWaalsContact CB-NH1 3.26Å; E429-R482 PolarHBondContact O-NH1 3.37Å; E429-R482 WeakPolarHBondContact OE2-CD 3.2Å; E429-L483 PolarHBondContact OE1-N 2.97Å; E429-L483 PolarHBondContact OE2-N 3.3Å; E429-D484 PolarHBondContact OE2-N 3.43Å
430	A	93.7	Very high	95.6	Very high	51 Å²	51	47.9 Å²	47.9	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-21.5	-176.2	0	0	0	0	0	114.3	M426 F427 Y517	M426-A430 WeakPolarHBondContact O-CB 3.41Å; M426-A430 PolarHBondContact O-N 3.03Å; F427-A430 PolarHBondContact O-N 3.05Å; A430-Y517 HydrophobicContact CB-CD1 4.22Å; A430-Y517 HydrophobicContact CB-CE1 3.44Å; A430-Y517 VanDerWaalsContact CB-CE1 3.44Å; A430-Y517 HydrophobicContact CB-CE2 4.42Å; A430-Y517 PolarHBondContact O-OH 3.38Å
431	T	93.8	Very high	95.4	Very high	46 Å²	46	47.9 Å²	47.9	28%	0.282	25%	0.254	S	S	.	.	H	α-helix	trans	-111.4	-0.6	-170.2	58.4	0	0	0	0	115.3	F427 E429 K515 Y517	F427-T431 HydrophobicContact CD2-CG2 4.27Å; F427-T431 HydrophobicContact CE2-CG2 4.01Å; F427-T431 HydrophobicContact CZ-CG2 4.16Å; F427-T431 WeakPolarHBondContact O-CB 3.44Å; F427-T431 VanDerWaalsContact O-CG2 3.32Å; F427-T431 WeakPolarHBondContact O-CG2 3.3Å; F427-T431 PolarHBondContact O-N 3.37Å; F427-T431 VanDerWaalsContact O-N 3.15Å; F427-T431 PolarHBondContact O-OG1 3.28Å; E429-T431 PolarHBondContact O-N 3.22Å; E429-T431 VanDerWaalsContact O-N 3.09Å; T431-K515 HydrophobicContact CG2-CD 4.26Å; T431-Y517 HydrophobicContact CG2-CD2 4.42Å; T431-Y517 HydrophobicContact CG2-CE2 3.71Å
432	Q	95.1	Very high	95.2	Very high	35 Å²	35	47 Å²	47	16%	0.164	25%	0.247	C	C	.	.	S	Bend	trans	-131.9	153.2	-174	-56.8	176.5	29.1	0	0	111.5	H428 L437 R482	H428-Q432 PolarHBondContact ND1-NE2 3.34Å; H428-Q432 VanDerWaalsContact O-CB 3.31Å; H428-Q432 WeakPolarHBondContact O-CB 3.37Å; H428-Q432 VanDerWaalsContact O-CG 3.29Å; H428-Q432 WeakPolarHBondContact O-CG 3.45Å; H428-Q432 PolarHBondContact O-N 3.29Å; Q432-L437 HydrophobicContact CB-CB 4.44Å; Q432-R482 PolarHBondContact O-NH2 3.11Å
433	S	95.4	Very high	95	Very high	76 Å²	76	50.9 Å²	50.9	53%	0.531	27%	0.272	S	S	.	.			trans	-76.1	157.3	167.8	64.9	0	0	0	0	111.3	K435 A436 L437	S433-K435 VanDerWaalsContact C-N 3.31Å; S433-K435 PolarHBondContact O-N 3.12Å; S433-A436 PolarHBondContact O-N 2.77Å; S433-A436 WeakPolarHBondContact OG-CB 3.4Å; S433-L437 WeakPolarHBondContact O-CB 3.33Å; S433-L437 PolarHBondContact O-N 3.32Å
434	D	95.1	Very high	94.7	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-56.2	-45.5	-176.6	-64.4	-0.9	0	0	0	112.2	A436 L437 Y438 T478 R482	D434-A436 PolarHBondContact O-N 3.2Å; D434-L437 PolarHBondContact O-N 3.36Å; D434-Y438 VanDerWaalsContact O-CB 3.31Å; D434-Y438 WeakPolarHBondContact O-CB 3.44Å; D434-Y438 PolarHBondContact O-N 2.88Å; D434-T478 WeakPolarHBondContact OD2-CB 3.28Å; D434-T478 WeakPolarHBondContact OD2-CG2 3.49Å; D434-T478 PolarHBondContact OD2-OG1 3.36Å; D434-R482 IonicContact OD1-CZ 2.69Å; D434-R482 IonicContact OD1-NE 3.27Å; D434-R482 PolarHBondContact OD1-NE 3.38Å; D434-R482 IonicContact OD1-NH2 3.66Å; D434-R482 PolarHBondContact OD1-NH2 3.44Å
435	K	92.4	Very high	94.1	Very high	148 Å²	148	57 Å²	57	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-61.7	-41.8	177	-171.9	171.9	-174.5	169.5	0	112.3	S433 N439	S433-K435 VanDerWaalsContact C-N 3.31Å; S433-K435 PolarHBondContact O-N 3.12Å; K435-N439 VanDerWaalsContact O-CB 3.3Å; K435-N439 WeakPolarHBondContact O-CB 3.43Å; K435-N439 PolarHBondContact O-N 3.36Å; K435-N439 PolarHBondContact O-ND2 3.44Å
436	A	94.9	Very high	93.4	Very high	28 Å²	28	60.1 Å²	60.1	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-40.1	179	0	0	0	0	0	111.5	S433 D434 N439 R440	S433-A436 PolarHBondContact O-N 2.77Å; S433-A436 WeakPolarHBondContact OG-CB 3.4Å; D434-A436 PolarHBondContact O-N 3.2Å; A436-N439 PolarHBondContact O-N 2.9Å; A436-R440 WeakPolarHBondContact O-CG 3.37Å; A436-R440 PolarHBondContact O-N 3.18Å
437	L	95.5	Very high	92.9	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-48.9	177.1	-176.2	61.2	0	0	0	111.2	H428 E429 Q432 S433 D434 N439 R440 L441 A481	H428-L437 HydrophobicContact CB-CD1 4.19Å; E429-L437 HydrophobicContact CG-CD2 3.68Å; Q432-L437 HydrophobicContact CB-CB 4.44Å; S433-L437 WeakPolarHBondContact O-CB 3.33Å; S433-L437 PolarHBondContact O-N 3.32Å; D434-L437 PolarHBondContact O-N 3.36Å; L437-N439 VanDerWaalsContact C-N 3.29Å; L437-N439 PolarHBondContact O-N 3.39Å; L437-R440 PolarHBondContact O-N 2.79Å; L437-R440 VanDerWaalsContact O-N 3.09Å; L437-L441 HydrophobicContact CD1-CD1 4.43Å; L437-L441 HydrophobicContact CD1-CG 4.43Å; L437-L441 HydrophobicContact CG-CD1 4.02Å; L437-L441 HydrophobicContact CG-CG 4.44Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.16Å; L437-A481 HydrophobicContact CD2-CB 4.29Å; L437-A481 WeakPolarHBondContact CD2-O 3.24Å; L437-A481 HydrophobicContact CG-CB 4.4Å
438	Y	95.3	Very high	92.4	Very high	8 Å²	8	65.3 Å²	65.3	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-54.7	-46.3	174.6	-177.9	-105	0	0	0	112	D434 R440 L441 V442 F451 P469 L472 I477 F480	D434-Y438 VanDerWaalsContact O-CB 3.31Å; D434-Y438 WeakPolarHBondContact O-CB 3.44Å; D434-Y438 PolarHBondContact O-N 2.88Å; Y438-R440 PolarHBondContact O-N 3.02Å; Y438-L441 PolarHBondContact O-N 2.91Å; Y438-L441 VanDerWaalsContact O-N 3.17Å; Y438-V442 HydrophobicContact CD2-CG2 4.29Å; Y438-V442 HydrophobicContact CE2-CG2 3.91Å; Y438-V442 PolarHBondContact O-N 3.39Å; Y438-F451 HydrophobicContact CE2-CE1 4.21Å; Y438-F451 HydrophobicContact CE2-CZ 4.36Å; Y438-F451 WeakPolarHBondContact OH-CZ 3.35Å; Y438-P469 VanDerWaalsContact OH-C 3.32Å; Y438-P469 WeakPolarHBondContact OH-CA 3.37Å; Y438-P469 WeakPolarHBondContact OH-CB 3.4Å; Y438-P469 PolarHBondContact OH-O 2.78Å; Y438-L472 HydrophobicContact CE2-CD2 4.21Å; Y438-I477 HydrophobicContact CD1-CD1 4.34Å; Y438-I477 HydrophobicContact CD1-CG1 4.42Å; Y438-I477 HydrophobicContact CD1-CG2 4.26Å; Y438-I477 HydrophobicContact CD2-CG1 4.36Å; Y438-I477 HydrophobicContact CD2-CG2 3.92Å; Y438-I477 HydrophobicContact CE1-CD1 4.33Å; Y438-I477 HydrophobicContact CE1-CG1 4.34Å; Y438-I477 HydrophobicContact CE2-CG1 4.31Å; Y438-I477 HydrophobicContact CG-CG1 4.41Å; Y438-I477 HydrophobicContact CG-CG2 3.68Å; Y438-F480 AromaticContact CD2-CD1 3.75Å; Y438-F480 HydrophobicContact CD2-CD1 3.75Å; Y438-F480 HydrophobicContact CD2-CE1 4.09Å; Y438-F480 AromaticContact CE2-CD1 3.73Å; Y438-F480 HydrophobicContact CE2-CD1 3.73Å; Y438-F480 AromaticContact CE2-CE1 3.97Å; Y438-F480 HydrophobicContact CE2-CE1 3.97Å
439	N	93.6	Very high	92.3	Very high	60 Å²	60	64.6 Å²	64.6	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-61	-29.8	-179.8	-78	-21.7	0	0	0	113.4	K435 A436 L437 P443 R449	K435-N439 VanDerWaalsContact O-CB 3.3Å; K435-N439 WeakPolarHBondContact O-CB 3.43Å; K435-N439 PolarHBondContact O-N 3.36Å; K435-N439 PolarHBondContact O-ND2 3.44Å; A436-N439 PolarHBondContact O-N 2.9Å; L437-N439 VanDerWaalsContact C-N 3.29Å; L437-N439 PolarHBondContact O-N 3.39Å; N439-P443 WeakPolarHBondContact O-CA 3.32Å; N439-R449 PolarHBondContact O-NH1 2.81Å; N439-R449 VanDerWaalsContact OD1-CZ 3.31Å; N439-R449 PolarHBondContact OD1-NH2 3.35Å
440	R	94.6	Very high	92.2	Very high	157 Å²	157	68.2 Å²	68.2	59%	0.592	40%	0.404	S	S	*	.	H	α-helix	trans	-84.9	-34.4	176.2	-70	179	179.9	106.3	1.9	112.7	A436 L437 Y438 V442	A436-R440 WeakPolarHBondContact O-CG 3.37Å; A436-R440 PolarHBondContact O-N 3.18Å; L437-R440 PolarHBondContact O-N 2.79Å; L437-R440 VanDerWaalsContact O-N 3.09Å; Y438-R440 PolarHBondContact O-N 3.02Å; R440-V442 VanDerWaalsContact C-N 3.32Å
441	L	94.1	Very high	92.2	Very high	47 Å²	47	66.8 Å²	66.8	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-33.8	175.2	-71.6	173.2	0	0	0	111.7	L437 Y438 P443 Q455 A481	L437-L441 HydrophobicContact CD1-CD1 4.43Å; L437-L441 HydrophobicContact CD1-CG 4.43Å; L437-L441 HydrophobicContact CG-CD1 4.02Å; L437-L441 HydrophobicContact CG-CG 4.44Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.16Å; Y438-L441 PolarHBondContact O-N 2.91Å; Y438-L441 VanDerWaalsContact O-N 3.17Å; L441-P443 WeakPolarHBondContact O-CD 3.24Å; L441-Q455 PolarHBondContact O-NE2 2.55Å; L441-A481 HydrophobicContact CD1-CB 4.19Å
442	V	94.3	Very high	92.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	-123.9	65.5	-178	-162.5	0	0	0	0	109.8	Y438 R440 R449 T450 F451 P469 F480	Y438-V442 HydrophobicContact CD2-CG2 4.29Å; Y438-V442 HydrophobicContact CE2-CG2 3.91Å; Y438-V442 PolarHBondContact O-N 3.39Å; R440-V442 VanDerWaalsContact C-N 3.32Å; V442-R449 HydrophobicContact CG1-CB 4.07Å; V442-R449 WeakPolarHBondContact O-CD 3.48Å; V442-R449 PolarHBondContact O-NH1 3.29Å; V442-T450 WeakPolarHBondContact CG1-O 3.4Å; V442-F451 HydrophobicContact CG1-CD1 4.09Å; V442-F451 HydrophobicContact CG1-CE1 4.24Å; V442-F451 HydrophobicContact CG2-CD1 3.87Å; V442-F451 HydrophobicContact CG2-CE1 3.61Å; V442-P469 HydrophobicContact CG1-CB 3.88Å; V442-P469 HydrophobicContact CG1-CG 3.76Å; V442-F480 HydrophobicContact CG2-CE1 3.88Å; V442-F480 HydrophobicContact CG2-CZ 4.31Å
443	P	92.9	Very high	92.1	Very high	81 Å²	81	69.5 Å²	69.5	53%	0.526	41%	0.412	S	S	.	.			trans	-61.7	154.4	-169.2	27.9	-35.6	0	0	0	112.6	N439 L441 S445	N439-P443 WeakPolarHBondContact O-CA 3.32Å; L441-P443 WeakPolarHBondContact O-CD 3.24Å; P443-S445 PolarHBondContact O-N 2.68Å
444	L	90.8	Very high	92.1	Very high	110 Å²	110	67.3 Å²	67.3	58%	0.576	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	119	172.3	-166.5	75.3	0	0	0	108.8	R449	L444-R449 HydrophobicContact CD1-CG 3.92Å
445	S	84.9	Confident	92.1	Very high	93 Å²	93	66.6 Å²	66.6	65%	0.65	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	126	176.8	-173.9	0	0	0	0	109.4	P443 G447 Q448	P443-S445 PolarHBondContact O-N 2.68Å; S445-G447 PolarHBondContact O-N 3.25Å; S445-G447 VanDerWaalsContact O-N 3.15Å; S445-Q448 PolarHBondContact N-O 3.1Å; S445-Q448 PolarHBondContact O-N 3.09Å; S445-Q448 VanDerWaalsContact O-N 3.08Å
446	G	81.1	Confident	92.2	Very high	91 Å²	91	61.5 Å²	61.5	94%	0.938	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	25.9	-176.3	0	0	0	0	0	114.4	Q448	G446-Q448 VanDerWaalsContact C-N 3.34Å
447	G	85.1	Confident	92.2	Very high	63 Å²	63	63.1 Å²	63.1	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	0.2	-177.7	0	0	0	0	0	115.4	S445	S445-G447 PolarHBondContact O-N 3.25Å; S445-G447 VanDerWaalsContact O-N 3.15Å
448	Q	87.8	Confident	92.1	Very high	132 Å²	132	63.9 Å²	63.9	62%	0.617	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.4	178.9	-164.9	173.8	17.4	0	0	111.6	S445 G446 T450	S445-Q448 PolarHBondContact N-O 3.1Å; S445-Q448 PolarHBondContact O-N 3.09Å; S445-Q448 VanDerWaalsContact O-N 3.08Å; G446-Q448 VanDerWaalsContact C-N 3.34Å; Q448-T450 HydrophobicContact CG-CG2 4.3Å
449	R	91.9	Very high	92.1	Very high	64 Å²	64	63.6 Å²	63.6	24%	0.242	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.2	166.9	-68.7	-173.6	-171.8	-93.1	0.7	108.3	N439 V442 L444 P469	N439-R449 PolarHBondContact O-NH1 2.81Å; N439-R449 VanDerWaalsContact OD1-CZ 3.31Å; N439-R449 PolarHBondContact OD1-NH2 3.35Å; V442-R449 HydrophobicContact CG1-CB 4.07Å; V442-R449 WeakPolarHBondContact O-CD 3.48Å; V442-R449 PolarHBondContact O-NH1 3.29Å; L444-R449 HydrophobicContact CD1-CG 3.92Å; R449-P469 HydrophobicContact CB-CB 3.72Å; R449-P469 HydrophobicContact CB-CG 3.91Å; R449-P469 WeakPolarHBondContact O-CG 3.39Å
450	T	93.1	Very high	92.1	Very high	91 Å²	91	67.8 Å²	67.8	56%	0.558	39%	0.391	S	S	*	.			trans	-134.5	140	175.5	53.6	0	0	0	0	109.8	V442 Q448	V442-T450 WeakPolarHBondContact CG1-O 3.4Å; Q448-T450 HydrophobicContact CG-CG2 4.3Å
451	F	94.7	Very high	92	Very high	21 Å²	21	65.3 Å²	65.3	9%	0.092	39%	0.385	C	S	.	.			trans	-78.1	133.6	170.4	-69	-61.2	0	0	0	109.9	Y438 V442 Q455 I456 L459 T467 P469 L472 F480	Y438-F451 HydrophobicContact CE2-CE1 4.21Å; Y438-F451 HydrophobicContact CE2-CZ 4.36Å; Y438-F451 WeakPolarHBondContact OH-CZ 3.35Å; V442-F451 HydrophobicContact CG1-CD1 4.09Å; V442-F451 HydrophobicContact CG1-CE1 4.24Å; V442-F451 HydrophobicContact CG2-CD1 3.87Å; V442-F451 HydrophobicContact CG2-CE1 3.61Å; F451-Q455 HydrophobicContact CB-CB 4.1Å; F451-Q455 HydrophobicContact CD1-CB 3.96Å; F451-Q455 HydrophobicContact CG-CB 4.42Å; F451-I456 HydrophobicContact CB-CD1 3.53Å; F451-I456 HydrophobicContact CB-CG1 3.97Å; F451-I456 HydrophobicContact CD2-CD1 4.08Å; F451-I456 HydrophobicContact CG-CD1 4.17Å; F451-L459 HydrophobicContact CD1-CD1 4.3Å; F451-L459 HydrophobicContact CD2-CD1 3.62Å; F451-L459 HydrophobicContact CE1-CD1 4.24Å; F451-L459 HydrophobicContact CE2-CD1 3.58Å; F451-L459 HydrophobicContact CG-CD1 4Å; F451-L459 HydrophobicContact CZ-CD1 3.9Å; F451-T467 WeakPolarHBondContact CD2-O 3.29Å; F451-P469 HydrophobicContact CD1-CG 4.24Å; F451-P469 HydrophobicContact CD2-CG 3.64Å; F451-P469 HydrophobicContact CE1-CB 4.34Å; F451-P469 HydrophobicContact CE1-CG 4.21Å; F451-P469 HydrophobicContact CE2-CB 3.97Å; F451-P469 HydrophobicContact CE2-CG 3.58Å; F451-P469 HydrophobicContact CG-CG 3.97Å; F451-P469 HydrophobicContact CZ-CB 3.88Å; F451-P469 HydrophobicContact CZ-CG 3.88Å; F451-L472 HydrophobicContact CE2-CD1 3.82Å; F451-L472 HydrophobicContact CZ-CD1 3.71Å; F451-L472 HydrophobicContact CZ-CD2 4Å; F451-F480 HydrophobicContact CD1-CE2 4.35Å; F451-F480 AromaticContact CD1-CZ 3.91Å; F451-F480 HydrophobicContact CD1-CZ 3.91Å; F451-F480 AromaticContact CE1-CE1 3.93Å; F451-F480 HydrophobicContact CE1-CE1 3.93Å; F451-F480 HydrophobicContact CE1-CE2 4.08Å; F451-F480 AromaticContact CE1-CZ 3.65Å; F451-F480 HydrophobicContact CE1-CZ 3.65Å
452	S	94.1	Very high	92	Very high	44 Å²	44	64.8 Å²	64.8	31%	0.308	38%	0.382	S	S	.	.			trans	-69.1	159.9	167.2	62.5	0	0	0	0	111.2	V454 Q455 I456	S452-V454 VanDerWaalsContact C-N 3.25Å; S452-V454 PolarHBondContact O-N 2.86Å; S452-V454 VanDerWaalsContact O-N 3.16Å; S452-V454 WeakPolarHBondContact OG-CG1 3.39Å; S452-Q455 WeakPolarHBondContact O-CB 3.49Å; S452-Q455 PolarHBondContact O-N 2.9Å; S452-Q455 VanDerWaalsContact OG-CD 3.28Å; S452-Q455 VanDerWaalsContact OG-CG 3.31Å; S452-Q455 WeakPolarHBondContact OG-CG 3.37Å; S452-Q455 PolarHBondContact OG-OE1 2.83Å; S452-I456 PolarHBondContact O-N 2.61Å
453	P	93.4	Very high	92	Very high	95 Å²	95	67.9 Å²	67.9	62%	0.617	41%	0.413	S	S	*	.	H	α-helix	trans	-53.8	-37.5	179.3	-29.4	36.3	0	0	0	114.7	I456 N457	P453-I456 WeakPolarHBondContact O-CB 3.23Å; P453-I456 PolarHBondContact O-N 3.23Å; P453-N457 PolarHBondContact O-N 2.81Å; P453-N457 VanDerWaalsContact O-N 3.12Å
454	V	94.6	Very high	92.1	Very high	30 Å²	30	64.4 Å²	64.4	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-68.6	-34.1	177.6	62.7	0	0	0	0	112.3	S452 N457 R458 E565	S452-V454 VanDerWaalsContact C-N 3.25Å; S452-V454 PolarHBondContact O-N 2.86Å; S452-V454 VanDerWaalsContact O-N 3.16Å; S452-V454 WeakPolarHBondContact OG-CG1 3.39Å; V454-N457 WeakPolarHBondContact O-CB 3.39Å; V454-N457 PolarHBondContact O-N 3.32Å; V454-R458 PolarHBondContact O-N 3.43Å; V454-R458 VanDerWaalsContact O-N 3.11Å; V454-E565 HydrophobicContact CG2-CG 4.11Å; V454-E565 WeakPolarHBondContact CG2-O 3.46Å; V454-E565 WeakPolarHBondContact CG2-OE1 3.44Å
455	Q	95.4	Very high	92.2	Very high	30 Å²	30	68 Å²	68	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-70.7	-36.2	174.8	-70.6	170	-42.7	0	0	111.7	L441 F451 S452 N457 R458 L459 F480	L441-Q455 PolarHBondContact O-NE2 2.55Å; F451-Q455 HydrophobicContact CB-CB 4.1Å; F451-Q455 HydrophobicContact CD1-CB 3.96Å; F451-Q455 HydrophobicContact CG-CB 4.42Å; S452-Q455 WeakPolarHBondContact O-CB 3.49Å; S452-Q455 PolarHBondContact O-N 2.9Å; S452-Q455 VanDerWaalsContact OG-CD 3.28Å; S452-Q455 VanDerWaalsContact OG-CG 3.31Å; S452-Q455 WeakPolarHBondContact OG-CG 3.37Å; S452-Q455 PolarHBondContact OG-OE1 2.83Å; Q455-N457 VanDerWaalsContact C-N 3.3Å; Q455-N457 PolarHBondContact O-N 3.35Å; Q455-R458 WeakPolarHBondContact O-CB 3.15Å; Q455-R458 PolarHBondContact O-N 3.01Å; Q455-L459 WeakPolarHBondContact O-CG 3.26Å; Q455-L459 PolarHBondContact O-N 2.99Å; Q455-F480 HydrophobicContact CB-CE2 3.94Å; Q455-F480 HydrophobicContact CB-CZ 3.8Å; Q455-F480 HydrophobicContact CG-CE2 4.31Å; Q455-F480 HydrophobicContact CG-CZ 3.78Å
456	I	95	Very high	92.6	Very high	40 Å²	40	67 Å²	67	21%	0.205	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-41.6	171.3	-63.1	-62.3	0	0	0	110.8	F451 S452 P453 R458 L459 K460 T467	F451-I456 HydrophobicContact CB-CD1 3.53Å; F451-I456 HydrophobicContact CB-CG1 3.97Å; F451-I456 HydrophobicContact CD2-CD1 4.08Å; F451-I456 HydrophobicContact CG-CD1 4.17Å; S452-I456 PolarHBondContact O-N 2.61Å; P453-I456 WeakPolarHBondContact O-CB 3.23Å; P453-I456 PolarHBondContact O-N 3.23Å; I456-R458 VanDerWaalsContact C-N 3.31Å; I456-R458 PolarHBondContact O-N 3.19Å; I456-L459 HydrophobicContact CD1-CD1 4.18Å; I456-L459 PolarHBondContact O-N 3.21Å; I456-K460 WeakPolarHBondContact O-CG 2.88Å; I456-K460 PolarHBondContact O-N 2.93Å; I456-T467 HydrophobicContact CD1-CG2 4.12Å
457	N	93.9	Very high	93.1	Very high	63 Å²	63	67.3 Å²	67.3	34%	0.337	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.1	-68.7	-20.6	0	0	0	112.1	P453 V454 Q455 K460 K461 E565	P453-N457 PolarHBondContact O-N 2.81Å; P453-N457 VanDerWaalsContact O-N 3.12Å; V454-N457 WeakPolarHBondContact O-CB 3.39Å; V454-N457 PolarHBondContact O-N 3.32Å; Q455-N457 VanDerWaalsContact C-N 3.3Å; Q455-N457 PolarHBondContact O-N 3.35Å; N457-K460 WeakPolarHBondContact O-CB 3.45Å; N457-K460 PolarHBondContact O-N 3.06Å; N457-K461 PolarHBondContact O-N 3.48Å; N457-E565 HydrophobicContact CB-CG 4.25Å; N457-E565 PolarHBondContact ND2-OE1 3.36Å
458	R	93.9	Very high	93.4	Very high	21 Å²	21	67.8 Å²	67.8	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-43.9	173.5	-179.9	169.4	177.3	70.1	6.5	112.6	V454 Q455 I456 K460 K461 L462 R479 F480 R482 L483 D566	V454-R458 PolarHBondContact O-N 3.43Å; V454-R458 VanDerWaalsContact O-N 3.11Å; Q455-R458 WeakPolarHBondContact O-CB 3.15Å; Q455-R458 PolarHBondContact O-N 3.01Å; I456-R458 VanDerWaalsContact C-N 3.31Å; I456-R458 PolarHBondContact O-N 3.19Å; R458-K460 VanDerWaalsContact C-N 3.31Å; R458-K460 PolarHBondContact O-N 3.26Å; R458-K461 WeakPolarHBondContact O-CB 2.97Å; R458-K461 PolarHBondContact O-N 3.15Å; R458-L462 HydrophobicContact CG-CD1 4.09Å; R458-L462 WeakPolarHBondContact O-CG 3.19Å; R458-L462 PolarHBondContact O-N 2.75Å; R458-R479 PolarHBondContact NH2-O 2.97Å; R458-F480 HydrophobicContact CB-CE2 4.42Å; R458-F480 HydrophobicContact CG-CD2 4.24Å; R458-F480 HydrophobicContact CG-CE2 4.39Å; R458-F480 PolarHBondContact NE-O 3.4Å; R458-F480 PolarHBondContact NH2-O 2.96Å; R458-R482 PolarHBondContact NH2-O 3.37Å; R458-L483 VanDerWaalsContact NH2-CD2 3.26Å; R458-D566 IonicContact NH1-OD1 3.11Å; R458-D566 PolarHBondContact NH1-OD1 3.04Å
459	L	95.1	Very high	93.7	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-44.4	175.8	-69.9	166.6	0	0	0	111.3	F451 Q455 I456 K461 L462 G463 I464 L472 F480	F451-L459 HydrophobicContact CD1-CD1 4.3Å; F451-L459 HydrophobicContact CD2-CD1 3.62Å; F451-L459 HydrophobicContact CE1-CD1 4.24Å; F451-L459 HydrophobicContact CE2-CD1 3.58Å; F451-L459 HydrophobicContact CG-CD1 4Å; F451-L459 HydrophobicContact CZ-CD1 3.9Å; Q455-L459 WeakPolarHBondContact O-CG 3.26Å; Q455-L459 PolarHBondContact O-N 2.99Å; I456-L459 HydrophobicContact CD1-CD1 4.18Å; I456-L459 PolarHBondContact O-N 3.21Å; L459-K461 PolarHBondContact O-N 3.2Å; L459-L462 CarbonylContact O-C 3.58Å; L459-L462 PolarHBondContact O-N 3.45Å; L459-L462 VanDerWaalsContact O-N 3.09Å; L459-G463 PolarHBondContact O-N 3.05Å; L459-G463 VanDerWaalsContact O-N 3.08Å; L459-I464 CarbonylContact C-O 3.53Å; L459-I464 HydrophobicContact CB-CB 4.31Å; L459-I464 HydrophobicContact CD2-CB 3.92Å; L459-I464 HydrophobicContact CD2-CD1 4Å; L459-I464 HydrophobicContact CD2-CG2 3.84Å; L459-I464 PolarHBondContact O-N 3.19Å; L459-L472 HydrophobicContact CD2-CD2 4.12Å; L459-F480 HydrophobicContact CD2-CB 4.43Å; L459-F480 HydrophobicContact CD2-CD2 3.52Å; L459-F480 HydrophobicContact CD2-CE2 4.11Å; L459-F480 HydrophobicContact CD2-CG 4.22Å; L459-F480 HydrophobicContact CG-CD2 3.86Å; L459-F480 HydrophobicContact CG-CE2 3.98Å
460	K	94.5	Very high	93.6	Very high	148 Å²	148	63.1 Å²	63.1	64%	0.643	35%	0.351	S	S	*	.	H	α-helix	trans	-58.7	-45.1	174	-69.5	175.1	-179.6	177.7	0	112.3	I456 N457 R458 L462 G463	I456-K460 WeakPolarHBondContact O-CG 2.88Å; I456-K460 PolarHBondContact O-N 2.93Å; N457-K460 WeakPolarHBondContact O-CB 3.45Å; N457-K460 PolarHBondContact O-N 3.06Å; R458-K460 VanDerWaalsContact C-N 3.31Å; R458-K460 PolarHBondContact O-N 3.26Å; K460-L462 PolarHBondContact O-N 3.24Å; K460-G463 PolarHBondContact O-N 2.92Å
461	K	92.4	Very high	93.6	Very high	105 Å²	105	61.9 Å²	61.9	46%	0.457	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-35.4	175.6	-171.3	-171.7	-179.7	-167.2	0	111.8	N457 R458 L459 G463 P561 D566	N457-K461 PolarHBondContact O-N 3.48Å; R458-K461 WeakPolarHBondContact O-CB 2.97Å; R458-K461 PolarHBondContact O-N 3.15Å; L459-K461 PolarHBondContact O-N 3.2Å; K461-G463 VanDerWaalsContact C-N 3.33Å; K461-P561 PolarHBondContact NZ-O 2.82Å; K461-D566 WeakPolarHBondContact CD-OD1 3.37Å; K461-D566 IonicContact NZ-OD1 3.22Å; K461-D566 PolarHBondContact NZ-OD1 3.4Å; K461-D566 IonicContact NZ-OD2 2.91Å; K461-D566 PolarHBondContact NZ-OD2 2.86Å
462	L	93.4	Very high	93.6	Very high	36 Å²	36	61.5 Å²	61.5	19%	0.188	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.6	179	-65	171.8	0	0	0	113.9	R458 L459 K460 I464 R479 F480	R458-L462 HydrophobicContact CG-CD1 4.09Å; R458-L462 WeakPolarHBondContact O-CG 3.19Å; R458-L462 PolarHBondContact O-N 2.75Å; L459-L462 CarbonylContact O-C 3.58Å; L459-L462 PolarHBondContact O-N 3.45Å; L459-L462 VanDerWaalsContact O-N 3.09Å; K460-L462 PolarHBondContact O-N 3.24Å; L462-I464 HydrophobicContact CB-CD1 3.92Å; L462-I464 HydrophobicContact CB-CG1 4.09Å; L462-I464 HydrophobicContact CD1-CD1 4.18Å; L462-R479 WeakPolarHBondContact CD1-O 3.45Å; L462-R479 PolarHBondContact O-NH2 3.05Å; L462-F480 HydrophobicContact CD1-CB 4.32Å
463	G	95	Very high	93.6	Very high	64 Å²	64	63.8 Å²	63.8	66%	0.66	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	27	-174.9	0	0	0	0	0	113.9	L459 K460 K461	L459-G463 PolarHBondContact O-N 3.05Å; L459-G463 VanDerWaalsContact O-N 3.08Å; K460-G463 PolarHBondContact O-N 2.92Å; K461-G463 VanDerWaalsContact C-N 3.33Å
464	I	94.7	Very high	93.6	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.041	35%	0.354	C	S	.	.			trans	-100.3	113.8	177.7	-57.6	167.9	0	0	0	108.5	L459 L462 K466 E476	L459-I464 CarbonylContact C-O 3.53Å; L459-I464 HydrophobicContact CB-CB 4.31Å; L459-I464 HydrophobicContact CD2-CB 3.92Å; L459-I464 HydrophobicContact CD2-CD1 4Å; L459-I464 HydrophobicContact CD2-CG2 3.84Å; L459-I464 PolarHBondContact O-N 3.19Å; L462-I464 HydrophobicContact CB-CD1 3.92Å; L462-I464 HydrophobicContact CB-CG1 4.09Å; L462-I464 HydrophobicContact CD1-CD1 4.18Å; I464-K466 HydrophobicContact CG2-CB 4.27Å; I464-E476 HydrophobicContact CD1-CB 4.06Å; I464-E476 HydrophobicContact CD1-CG 4.22Å; I464-E476 HydrophobicContact CG1-CG 4.39Å
465	E	92.6	Very high	93.6	Very high	187 Å²	187	70.1 Å²	70.1	87%	0.874	37%	0.374	S	S	*	.			trans	-84	-18.8	-177.5	-62.3	-170.1	163.5	0	0	113.6	T467	E465-T467 PolarHBondContact O-N 2.91Å
466	K	92.8	Very high	93.6	Very high	72 Å²	72	70.2 Å²	70.2	31%	0.313	37%	0.374	S	S	.	.			trans	-66	127.8	-177.8	-60.6	176.2	-172.4	171	0	111.1	I464 T471 L472 E476	I464-K466 HydrophobicContact CG2-CB 4.27Å; K466-T471 WeakPolarHBondContact CD-O 3.3Å; K466-T471 PolarHBondContact NZ-O 3.44Å; K466-T471 VanDerWaalsContact NZ-O 3.09Å; K466-L472 HydrophobicContact CB-CD1 4.35Å; K466-E476 WeakPolarHBondContact CE-OE1 3.15Å; K466-E476 VanDerWaalsContact NZ-CD 3.33Å; K466-E476 IonicContact NZ-OE1 3.53Å; K466-E476 PolarHBondContact NZ-OE1 3.07Å; K466-E476 VanDerWaalsContact NZ-OE1 3.16Å; K466-E476 IonicContact NZ-OE2 3.69Å; K466-E476 PolarHBondContact NZ-OE2 3.02Å
467	T	91.4	Very high	93.6	Very high	97 Å²	97	69.3 Å²	69.3	60%	0.595	37%	0.37	S	S	*	.			trans	-109.2	-4.9	178.7	59.5	0	0	0	0	113.9	F451 I456 E465 P469	F451-T467 WeakPolarHBondContact CD2-O 3.29Å; I456-T467 HydrophobicContact CD1-CG2 4.12Å; E465-T467 PolarHBondContact O-N 2.91Å; T467-P469 WeakPolarHBondContact O-CD 3.29Å
468	D	92.4	Very high	93.6	Very high	73 Å²	73	68.8 Å²	68.8	39%	0.39	37%	0.369	S	S	.	.			trans	-92.1	113.9	172.1	-179.8	-12.8	0	0	0	109.5	S470 T471 L472	D468-S470 PolarHBondContact O-N 3.06Å; D468-S470 WeakPolarHBondContact OD1-CB 3.4Å; D468-S470 PolarHBondContact OD1-N 3.4Å; D468-S470 PolarHBondContact OD1-OG 2.91Å; D468-S470 PolarHBondContact OD2-OG 2.97Å; D468-S470 VanDerWaalsContact OD2-OG 3.11Å; D468-T471 HydrophobicContact CB-CG2 3.81Å; D468-T471 PolarHBondContact O-N 3.35Å; D468-T471 PolarHBondContact O-OG1 3.23Å; D468-L472 WeakPolarHBondContact O-CD1 3.46Å
469	P	93.3	Very high	93.6	Very high	6 Å²	6	73 Å²	73	4%	0.039	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.2	179.5	-27.2	35.7	0	0	0	115.5	Y438 V442 R449 F451 T467 T471	Y438-P469 VanDerWaalsContact OH-C 3.32Å; Y438-P469 WeakPolarHBondContact OH-CA 3.37Å; Y438-P469 WeakPolarHBondContact OH-CB 3.4Å; Y438-P469 PolarHBondContact OH-O 2.78Å; V442-P469 HydrophobicContact CG1-CB 3.88Å; V442-P469 HydrophobicContact CG1-CG 3.76Å; R449-P469 HydrophobicContact CB-CB 3.72Å; R449-P469 HydrophobicContact CB-CG 3.91Å; R449-P469 WeakPolarHBondContact O-CG 3.39Å; F451-P469 HydrophobicContact CD1-CG 4.24Å; F451-P469 HydrophobicContact CD2-CG 3.64Å; F451-P469 HydrophobicContact CE1-CB 4.34Å; F451-P469 HydrophobicContact CE1-CG 4.21Å; F451-P469 HydrophobicContact CE2-CB 3.97Å; F451-P469 HydrophobicContact CE2-CG 3.58Å; F451-P469 HydrophobicContact CG-CG 3.97Å; F451-P469 HydrophobicContact CZ-CB 3.88Å; F451-P469 HydrophobicContact CZ-CG 3.88Å; T467-P469 WeakPolarHBondContact O-CD 3.29Å; P469-T471 VanDerWaalsContact C-N 3.32Å
470	S	90.1	Very high	93.6	Very high	92 Å²	92	73 Å²	73	64%	0.643	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13	-179.1	70.1	0	0	0	0	113.8	D468	D468-S470 PolarHBondContact O-N 3.06Å; D468-S470 WeakPolarHBondContact OD1-CB 3.4Å; D468-S470 PolarHBondContact OD1-N 3.4Å; D468-S470 PolarHBondContact OD1-OG 2.91Å; D468-S470 PolarHBondContact OD2-OG 2.97Å; D468-S470 VanDerWaalsContact OD2-OG 3.11Å
471	T	93.4	Very high	93.6	Very high	64 Å²	64	66 Å²	66	39%	0.393	35%	0.354	S	S	.	.	S	Bend	trans	-99.1	-4.2	-174.1	65.3	0	0	0	0	114.1	K466 D468 P469	K466-T471 WeakPolarHBondContact CD-O 3.3Å; K466-T471 PolarHBondContact NZ-O 3.44Å; K466-T471 VanDerWaalsContact NZ-O 3.09Å; D468-T471 HydrophobicContact CB-CG2 3.81Å; D468-T471 PolarHBondContact O-N 3.35Å; D468-T471 PolarHBondContact O-OG1 3.23Å; P469-T471 VanDerWaalsContact C-N 3.32Å
472	L	94.1	Very high	93.8	Very high	13 Å²	13	63.7 Å²	63.7	7%	0.068	34%	0.342	C	S	.	.			trans	-70.9	133.2	176.6	-79.2	73.6	0	0	0	109.9	Y438 F451 L459 K466 D468 E476 I477	Y438-L472 HydrophobicContact CE2-CD2 4.21Å; F451-L472 HydrophobicContact CE2-CD1 3.82Å; F451-L472 HydrophobicContact CZ-CD1 3.71Å; F451-L472 HydrophobicContact CZ-CD2 4Å; L459-L472 HydrophobicContact CD2-CD2 4.12Å; K466-L472 HydrophobicContact CB-CD1 4.35Å; D468-L472 WeakPolarHBondContact O-CD1 3.46Å; L472-E476 VanDerWaalsContact CA-OE2 3.27Å; L472-E476 WeakPolarHBondContact CA-OE2 3.27Å; L472-E476 HydrophobicContact CB-CB 4.1Å; L472-E476 HydrophobicContact CD2-CB 4.2Å; L472-E476 HydrophobicContact CG-CB 4.14Å; L472-I477 HydrophobicContact CB-CD1 4.46Å; L472-I477 HydrophobicContact CB-CG1 3.75Å
473	I	94.2	Very high	93.9	Very high	92 Å²	92	62.4 Å²	62.4	47%	0.472	34%	0.336	S	S	.	.			trans	-79.5	164.6	171.4	66.4	174.5	0	0	0	110.4	E475 E476 I477	I473-E475 VanDerWaalsContact C-N 3.26Å; I473-E475 HydrophobicContact CD1-CB 4.36Å; I473-E475 HydrophobicContact CG1-CB 4.39Å; I473-E475 PolarHBondContact O-N 3.49Å; I473-E475 VanDerWaalsContact O-N 3.16Å; I473-E476 HydrophobicContact CD1-CG 4.48Å; I473-E476 HydrophobicContact CG1-CB 4.17Å; I473-E476 HydrophobicContact CG1-CG 3.77Å; I473-E476 WeakPolarHBondContact CG1-OE2 3.38Å; I473-E476 PolarHBondContact N-OE2 3.36Å; I473-E476 WeakPolarHBondContact O-CB 3.46Å; I473-E476 PolarHBondContact O-N 2.84Å; I473-I477 WeakPolarHBondContact O-CG1 3.36Å; I473-I477 PolarHBondContact O-N 3.34Å
474	D	93.9	Very high	93.9	Very high	130 Å²	130	62.8 Å²	62.8	70%	0.695	32%	0.323	S	S	*	.	H	α-helix	trans	-54	-39.9	-175.8	-72.2	-23.3	0	0	0	113.1	I477 T478	D474-I477 WeakPolarHBondContact O-CB 3.44Å; D474-I477 PolarHBondContact O-N 3.46Å; D474-T478 PolarHBondContact O-N 2.97Å; D474-T478 PolarHBondContact O-OG1 3.24Å
475	E	94.4	Very high	94.1	Very high	129 Å²	129	62.9 Å²	62.9	60%	0.603	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-44.5	176.2	-171.8	-173	163.9	0	0	112.7	I473 I477 T478 R479	I473-E475 VanDerWaalsContact C-N 3.26Å; I473-E475 HydrophobicContact CD1-CB 4.36Å; I473-E475 HydrophobicContact CG1-CB 4.39Å; I473-E475 PolarHBondContact O-N 3.49Å; I473-E475 VanDerWaalsContact O-N 3.16Å; E475-I477 VanDerWaalsContact C-N 3.33Å; E475-T478 PolarHBondContact O-N 2.87Å; E475-R479 WeakPolarHBondContact O-CG 3.42Å; E475-R479 PolarHBondContact O-N 3.13Å
476	E	95.3	Very high	94.1	Very high	31 Å²	31	56.1 Å²	56.1	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-39.4	176.5	-69.3	170.4	148.5	0	0	110.9	I464 K466 L472 I473 R479 F480	I464-E476 HydrophobicContact CD1-CB 4.06Å; I464-E476 HydrophobicContact CD1-CG 4.22Å; I464-E476 HydrophobicContact CG1-CG 4.39Å; K466-E476 WeakPolarHBondContact CE-OE1 3.15Å; K466-E476 VanDerWaalsContact NZ-CD 3.33Å; K466-E476 IonicContact NZ-OE1 3.53Å; K466-E476 PolarHBondContact NZ-OE1 3.07Å; K466-E476 VanDerWaalsContact NZ-OE1 3.16Å; K466-E476 IonicContact NZ-OE2 3.69Å; K466-E476 PolarHBondContact NZ-OE2 3.02Å; L472-E476 VanDerWaalsContact CA-OE2 3.27Å; L472-E476 WeakPolarHBondContact CA-OE2 3.27Å; L472-E476 HydrophobicContact CB-CB 4.1Å; L472-E476 HydrophobicContact CD2-CB 4.2Å; L472-E476 HydrophobicContact CG-CB 4.14Å; I473-E476 HydrophobicContact CD1-CG 4.48Å; I473-E476 HydrophobicContact CG1-CB 4.17Å; I473-E476 HydrophobicContact CG1-CG 3.77Å; I473-E476 WeakPolarHBondContact CG1-OE2 3.38Å; I473-E476 PolarHBondContact N-OE2 3.36Å; I473-E476 WeakPolarHBondContact O-CB 3.46Å; I473-E476 PolarHBondContact O-N 2.84Å; E476-R479 PolarHBondContact O-N 3.12Å; E476-F480 WeakPolarHBondContact O-CB 3.38Å; E476-F480 PolarHBondContact O-N 3.5Å
477	I	94.9	Very high	94.2	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-49.3	174.6	-71.3	175	0	0	0	110.2	Y438 L472 I473 D474 E475 F480 A481	Y438-I477 HydrophobicContact CD1-CD1 4.34Å; Y438-I477 HydrophobicContact CD1-CG1 4.42Å; Y438-I477 HydrophobicContact CD1-CG2 4.26Å; Y438-I477 HydrophobicContact CD2-CG1 4.36Å; Y438-I477 HydrophobicContact CD2-CG2 3.92Å; Y438-I477 HydrophobicContact CE1-CD1 4.33Å; Y438-I477 HydrophobicContact CE1-CG1 4.34Å; Y438-I477 HydrophobicContact CE2-CG1 4.31Å; Y438-I477 HydrophobicContact CG-CG1 4.41Å; Y438-I477 HydrophobicContact CG-CG2 3.68Å; L472-I477 HydrophobicContact CB-CD1 4.46Å; L472-I477 HydrophobicContact CB-CG1 3.75Å; I473-I477 WeakPolarHBondContact O-CG1 3.36Å; I473-I477 PolarHBondContact O-N 3.34Å; D474-I477 WeakPolarHBondContact O-CB 3.44Å; D474-I477 PolarHBondContact O-N 3.46Å; E475-I477 VanDerWaalsContact C-N 3.33Å; I477-F480 PolarHBondContact O-N 3.31Å; I477-A481 WeakPolarHBondContact O-CB 3.27Å; I477-A481 PolarHBondContact O-N 2.8Å
478	T	94.7	Very high	94.2	Very high	51 Å²	51	55.8 Å²	55.8	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-50.5	178.8	-66.1	0	0	0	0	110.9	D434 D474 E475 F480 A481 R482	D434-T478 WeakPolarHBondContact OD2-CB 3.28Å; D434-T478 WeakPolarHBondContact OD2-CG2 3.49Å; D434-T478 PolarHBondContact OD2-OG1 3.36Å; D474-T478 PolarHBondContact O-N 2.97Å; D474-T478 PolarHBondContact O-OG1 3.24Å; E475-T478 PolarHBondContact O-N 2.87Å; T478-F480 VanDerWaalsContact C-N 3.32Å; T478-F480 PolarHBondContact O-N 3.25Å; T478-A481 PolarHBondContact O-N 2.81Å; T478-R482 HydrophobicContact CG2-CG 4.28Å; T478-R482 VanDerWaalsContact O-CB 3.31Å; T478-R482 WeakPolarHBondContact O-CB 3.16Å; T478-R482 WeakPolarHBondContact O-CG 3.49Å; T478-R482 PolarHBondContact O-N 3.13Å
479	R	93.6	Very high	94.2	Very high	110 Å²	110	53.4 Å²	53.4	42%	0.415	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-38.1	179.6	-70.2	175.9	63.5	-148.6	-8.3	112.5	R458 L462 E475 E476	R458-R479 PolarHBondContact NH2-O 2.97Å; L462-R479 WeakPolarHBondContact CD1-O 3.45Å; L462-R479 PolarHBondContact O-NH2 3.05Å; E475-R479 WeakPolarHBondContact O-CG 3.42Å; E475-R479 PolarHBondContact O-N 3.13Å; E476-R479 PolarHBondContact O-N 3.12Å
480	F	95.1	Very high	94.3	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-70.6	-47.6	175.5	174	-94.3	0	0	0	111.9	Y438 V442 F451 Q455 R458 L459 L462 E476 I477 T478	Y438-F480 AromaticContact CD2-CD1 3.75Å; Y438-F480 HydrophobicContact CD2-CD1 3.75Å; Y438-F480 HydrophobicContact CD2-CE1 4.09Å; Y438-F480 AromaticContact CE2-CD1 3.73Å; Y438-F480 HydrophobicContact CE2-CD1 3.73Å; Y438-F480 AromaticContact CE2-CE1 3.97Å; Y438-F480 HydrophobicContact CE2-CE1 3.97Å; V442-F480 HydrophobicContact CG2-CE1 3.88Å; V442-F480 HydrophobicContact CG2-CZ 4.31Å; F451-F480 HydrophobicContact CD1-CE2 4.35Å; F451-F480 AromaticContact CD1-CZ 3.91Å; F451-F480 HydrophobicContact CD1-CZ 3.91Å; F451-F480 AromaticContact CE1-CE1 3.93Å; F451-F480 HydrophobicContact CE1-CE1 3.93Å; F451-F480 HydrophobicContact CE1-CE2 4.08Å; F451-F480 AromaticContact CE1-CZ 3.65Å; F451-F480 HydrophobicContact CE1-CZ 3.65Å; Q455-F480 HydrophobicContact CB-CE2 3.94Å; Q455-F480 HydrophobicContact CB-CZ 3.8Å; Q455-F480 HydrophobicContact CG-CE2 4.31Å; Q455-F480 HydrophobicContact CG-CZ 3.78Å; R458-F480 HydrophobicContact CB-CE2 4.42Å; R458-F480 HydrophobicContact CG-CD2 4.24Å; R458-F480 HydrophobicContact CG-CE2 4.39Å; R458-F480 PolarHBondContact NE-O 3.4Å; R458-F480 PolarHBondContact NH2-O 2.96Å; L459-F480 HydrophobicContact CD2-CB 4.43Å; L459-F480 HydrophobicContact CD2-CD2 3.52Å; L459-F480 HydrophobicContact CD2-CE2 4.11Å; L459-F480 HydrophobicContact CD2-CG 4.22Å; L459-F480 HydrophobicContact CG-CD2 3.86Å; L459-F480 HydrophobicContact CG-CE2 3.98Å; L462-F480 HydrophobicContact CD1-CB 4.32Å; E476-F480 WeakPolarHBondContact O-CB 3.38Å; E476-F480 PolarHBondContact O-N 3.5Å; I477-F480 PolarHBondContact O-N 3.31Å; T478-F480 VanDerWaalsContact C-N 3.32Å; T478-F480 PolarHBondContact O-N 3.25Å
481	A	94.7	Very high	94.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-76.2	-21.5	-173.3	0	0	0	0	0	113.6	R425 L437 L441 I477 T478	R425-A481 PolarHBondContact NH2-O 3.15Å; L437-A481 HydrophobicContact CD2-CB 4.29Å; L437-A481 WeakPolarHBondContact CD2-O 3.24Å; L437-A481 HydrophobicContact CG-CB 4.4Å; L441-A481 HydrophobicContact CD1-CB 4.19Å; I477-A481 WeakPolarHBondContact O-CB 3.27Å; I477-A481 PolarHBondContact O-N 2.8Å; T478-A481 PolarHBondContact O-N 2.81Å
482	R	95.2	Very high	94.5	Very high	56 Å²	56	50.8 Å²	50.8	21%	0.211	27%	0.27	C	S	.	.			trans	-106.1	123.6	180	-60.7	-64.5	-176.5	166.5	-6.1	111.8	E429 Q432 D434 R458 T478	E429-R482 VanDerWaalsContact CB-NH1 3.26Å; E429-R482 PolarHBondContact O-NH1 3.37Å; E429-R482 WeakPolarHBondContact OE2-CD 3.2Å; Q432-R482 PolarHBondContact O-NH2 3.11Å; D434-R482 IonicContact OD1-CZ 2.69Å; D434-R482 IonicContact OD1-NE 3.27Å; D434-R482 PolarHBondContact OD1-NE 3.38Å; D434-R482 IonicContact OD1-NH2 3.66Å; D434-R482 PolarHBondContact OD1-NH2 3.44Å; R458-R482 PolarHBondContact NH2-O 3.37Å; T478-R482 HydrophobicContact CG2-CG 4.28Å; T478-R482 VanDerWaalsContact O-CB 3.31Å; T478-R482 WeakPolarHBondContact O-CB 3.16Å; T478-R482 WeakPolarHBondContact O-CG 3.49Å; T478-R482 PolarHBondContact O-N 3.13Å
483	L	96.4	Very high	94.5	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.047	27%	0.274	C	S	.	.			trans	-83.8	-27.1	162.6	-53	-166.2	0	0	0	110.4	R425 E429 R458 I485 S556 V562 D566 L567	R425-L483 HydrophobicContact CG-CD1 3.82Å; R425-L483 HydrophobicContact CG-CG 4.16Å; E429-L483 PolarHBondContact OE1-N 2.97Å; E429-L483 PolarHBondContact OE2-N 3.3Å; R458-L483 VanDerWaalsContact NH2-CD2 3.26Å; L483-I485 VanDerWaalsContact C-N 3.3Å; L483-I485 HydrophobicContact CB-CD1 4.39Å; L483-I485 HydrophobicContact CB-CG1 4.03Å; L483-I485 HydrophobicContact CD1-CD1 4.27Å; L483-I485 PolarHBondContact O-N 2.83Å; L483-S556 WeakPolarHBondContact O-CB 3.21Å; L483-V562 HydrophobicContact CB-CG1 4.29Å; L483-V562 HydrophobicContact CD1-CG1 3.68Å; L483-V562 HydrophobicContact CG-CG1 4.48Å; L483-D566 HydrophobicContact CD1-CB 4.26Å; L483-D566 HydrophobicContact CD2-CB 4.04Å; L483-L567 HydrophobicContact CD1-CD2 3.63Å; L483-L567 HydrophobicContact CD1-CG 4.24Å
484	D	95.6	Very high	94.7	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	26%	0.259	S	S	.	.			trans	50.8	48.2	-178.6	-166.6	32.5	0	0	0	112.8	E429 D486 S556 R557	E429-D484 PolarHBondContact OE2-N 3.43Å; D484-D486 PolarHBondContact O-N 2.91Å; D484-S556 CarbonylContact O-C 3.46Å; D484-S556 WeakPolarHBondContact O-CA 3.35Å; D484-R557 PolarHBondContact O-N 3.49Å; D484-R557 WeakPolarHBondContact OD1-CD 3.48Å; D484-R557 IonicContact OD1-NE 3.86Å; D484-R557 PolarHBondContact OD1-NE 2.9Å; D484-R557 WeakPolarHBondContact OD2-CB 3.41Å
485	I	97.1	Very high	94.9	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.051	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-57.8	128.6	178.9	-69.5	165.9	0	0	0	109.5	M426 L483 P487 V490 A554 V562	M426-I485 HydrophobicContact CE-CG2 4.46Å; M426-I485 HydrophobicContact CG-CB 4.08Å; M426-I485 HydrophobicContact CG-CD1 4.09Å; M426-I485 HydrophobicContact CG-CG2 4.06Å; M426-I485 HydrophobicContact SD-CG2 3.9Å; L483-I485 VanDerWaalsContact C-N 3.3Å; L483-I485 HydrophobicContact CB-CD1 4.39Å; L483-I485 HydrophobicContact CB-CG1 4.03Å; L483-I485 HydrophobicContact CD1-CD1 4.27Å; L483-I485 PolarHBondContact O-N 2.83Å; I485-P487 VanDerWaalsContact O-CD 3.31Å; I485-P487 WeakPolarHBondContact O-CD 3.25Å; I485-V490 HydrophobicContact CG2-CG2 3.92Å; I485-A554 HydrophobicContact CG1-CB 4.48Å; I485-A554 HydrophobicContact CG2-CB 3.73Å; I485-V562 HydrophobicContact CD1-CG1 4.23Å; I485-V562 HydrophobicContact CG1-CB 4.42Å; I485-V562 HydrophobicContact CG1-CG1 4.09Å; I485-V562 HydrophobicContact CG1-CG2 4.09Å
486	D	94.6	Very high	95	Very high	45 Å²	45	40 Å²	40	24%	0.241	21%	0.213	C	C	.	.			trans	-75.7	115.2	164.5	179	-8.7	0	0	0	109	D484 S488 S489 T555 R557	D484-D486 PolarHBondContact O-N 2.91Å; D486-S488 VanDerWaalsContact CG-OG 3.24Å; D486-S488 PolarHBondContact O-N 3.43Å; D486-S488 VanDerWaalsContact O-N 3.13Å; D486-S488 PolarHBondContact OD1-N 3Å; D486-S488 PolarHBondContact OD1-OG 3.03Å; D486-S488 PolarHBondContact OD2-OG 2.94Å; D486-S488 VanDerWaalsContact OD2-OG 3.13Å; D486-S489 PolarHBondContact O-N 2.98Å; D486-S489 PolarHBondContact O-OG 2.63Å; D486-T555 PolarHBondContact N-O 2.84Å; D486-R557 HydrophobicContact CB-CG 4.22Å
487	P	93.2	Very high	95	Very high	59 Å²	59	39 Å²	39	38%	0.383	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-54.4	-32.6	-179.9	-23.3	31.7	0	0	0	114.3	M426 I485 S489	M426-P487 HydrophobicContact CE-CB 3.55Å; M426-P487 HydrophobicContact CE-CG 3.6Å; I485-P487 VanDerWaalsContact O-CD 3.31Å; I485-P487 WeakPolarHBondContact O-CD 3.25Å; P487-S489 VanDerWaalsContact C-N 3.27Å; P487-S489 PolarHBondContact O-N 3.08Å
488	S	91.6	Very high	94.9	Very high	103 Å²	103	41.3 Å²	41.3	72%	0.72	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-75.7	-18.3	-177.9	70.9	0	0	0	0	113.2	D486	D486-S488 VanDerWaalsContact CG-OG 3.24Å; D486-S488 PolarHBondContact O-N 3.43Å; D486-S488 VanDerWaalsContact O-N 3.13Å; D486-S488 PolarHBondContact OD1-N 3Å; D486-S488 PolarHBondContact OD1-OG 3.03Å; D486-S488 PolarHBondContact OD2-OG 2.94Å; D486-S488 VanDerWaalsContact OD2-OG 3.13Å
489	S	92.2	Very high	94.9	Very high	24 Å²	24	39.3 Å²	39.3	17%	0.168	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-91	-4.5	-178.9	77.9	0	0	0	0	114	D486 P487 T491 T555	D486-S489 PolarHBondContact O-N 2.98Å; D486-S489 PolarHBondContact O-OG 2.63Å; P487-S489 VanDerWaalsContact C-N 3.27Å; P487-S489 PolarHBondContact O-N 3.08Å; S489-T491 WeakPolarHBondContact O-CG2 2.99Å; S489-T491 PolarHBondContact O-N 3.4Å; S489-T555 PolarHBondContact OG-N 3.46Å; S489-T555 PolarHBondContact OG-O 3.44Å
490	V	95.1	Very high	95	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	21%	0.205	C	C	.	.			trans	-63.9	110.6	-177.5	177.7	0	0	0	0	109.6	V422 M426 I485 A554	V422-V490 HydrophobicContact CG1-CG1 4.1Å; V422-V490 HydrophobicContact CG1-CG2 4.23Å; M426-V490 HydrophobicContact SD-CG2 4.12Å; I485-V490 HydrophobicContact CG2-CG2 3.92Å; V490-A554 HydrophobicContact CG2-CB 4.04Å
491	T	91.9	Very high	95	Very high	77 Å²	77	42.6 Å²	42.6	47%	0.472	23%	0.227	S	C	.	.			trans	-94.1	-22	179	55.1	0	0	0	0	111.9	S489 Q493 V553	S489-T491 WeakPolarHBondContact O-CG2 2.99Å; S489-T491 PolarHBondContact O-N 3.4Å; T491-Q493 PolarHBondContact O-N 3.43Å; T491-V553 PolarHBondContact N-O 3.14Å; T491-V553 PolarHBondContact OG1-O 2.95Å
492	W	96.2	Very high	95	Very high	13 Å²	13	50.8 Å²	50.8	5%	0.049	26%	0.263	C	S	.	.			trans	-75.1	120	-176.6	-160	-88.7	0	0	0	112.6	N415 V418 E530 I531 M551 V553	N415-W492 HydrophobicContact CB-CZ2 4.48Å; N415-W492 PolarHBondContact O-NE1 3.44Å; N415-W492 VanDerWaalsContact OD1-CZ2 3.29Å; N415-W492 WeakPolarHBondContact OD1-CZ2 3.16Å; V418-W492 HydrophobicContact CB-CD2 4.48Å; V418-W492 HydrophobicContact CB-CZ2 4.09Å; V418-W492 HydrophobicContact CG1-CD2 3.83Å; V418-W492 HydrophobicContact CG1-CG 3.91Å; V418-W492 HydrophobicContact CG1-CZ2 4.15Å; V418-W492 HydrophobicContact CG2-CZ2 4.21Å; W492-E530 HydrophobicContact CH2-CB 4.13Å; W492-E530 HydrophobicContact CZ3-CB 4.07Å; W492-I531 HydrophobicContact CH2-CD1 4.39Å; W492-I531 HydrophobicContact CH2-CG1 4Å; W492-I531 HydrophobicContact CZ2-CD1 4.08Å; W492-I531 HydrophobicContact CZ2-CG1 4.14Å; W492-M551 HydrophobicContact CH2-CE 3.6Å; W492-M551 HydrophobicContact CH2-SD 3.62Å; W492-M551 HydrophobicContact CZ2-CE 4.29Å; W492-M551 HydrophobicContact CZ3-CB 4.13Å; W492-M551 HydrophobicContact CZ3-CE 4.23Å; W492-M551 HydrophobicContact CZ3-SD 4.03Å; W492-V553 HydrophobicContact CB-CB 3.92Å; W492-V553 HydrophobicContact CB-CG1 4.12Å; W492-V553 HydrophobicContact CD2-CG1 4.05Å; W492-V553 HydrophobicContact CE3-CG1 3.94Å; W492-V553 HydrophobicContact CG-CB 4.47Å; W492-V553 HydrophobicContact CG-CG1 4.14Å; W492-V553 PolarHBondContact N-O 3.15Å
493	Q	95.1	Very high	95.1	Very high	32 Å²	32	50 Å²	50	15%	0.15	26%	0.263	C	S	.	.			trans	-108.4	165.2	-178.7	-57.1	-57	-22	0	0	111.6	N415 T491 Q522	N415-Q493 PolarHBondContact ND2-O 2.97Å; T491-Q493 PolarHBondContact O-N 3.43Å; Q493-Q522 HydrophobicContact CB-CG 3.93Å; Q493-Q522 HydrophobicContact CG-CG 3.43Å; Q493-Q522 VanDerWaalsContact CG-CG 3.43Å; Q493-Q522 PolarHBondContact OE1-O 2.83Å
494	R	98.1	Very high	95	Very high	45 Å²	45	54.3 Å²	54.3	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	164.3	173.1	-73	173.6	169.5	72.7	1.1	110	N416 A419 D423 Q522 F523 D524	N416-R494 WeakPolarHBondContact OD1-CA 3.49Å; N416-R494 WeakPolarHBondContact OD1-CB 3.48Å; A419-R494 HydrophobicContact CB-CG 3.58Å; D423-R494 IonicContact OD2-CZ 2.63Å; D423-R494 VanDerWaalsContact OD2-CZ 3.24Å; D423-R494 IonicContact OD2-NH1 3.54Å; D423-R494 PolarHBondContact OD2-NH1 3.41Å; D423-R494 IonicContact OD2-NH2 3.52Å; D423-R494 PolarHBondContact OD2-NH2 2.77Å; R494-Q522 PolarHBondContact N-O 2.73Å; R494-Q522 VanDerWaalsContact N-O 3.17Å; R494-F523 HydrophobicContact CB-CD1 3.72Å; R494-F523 HydrophobicContact CB-CD2 4.06Å; R494-F523 HydrophobicContact CB-CE1 3.54Å; R494-F523 HydrophobicContact CB-CE2 3.88Å; R494-F523 HydrophobicContact CB-CG 3.98Å; R494-F523 HydrophobicContact CB-CZ 3.63Å; R494-F523 HydrophobicContact CG-CZ 4.25Å; R494-F523 CarbonylContact O-C 3.47Å; R494-F523 VanDerWaalsContact O-CA 3.23Å; R494-F523 WeakPolarHBondContact O-CA 3.41Å; R494-D524 PolarHBondContact O-N 2.89Å
495	V	97.9	Very high	95	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.8	176.6	-60.8	0	0	0	0	113.3	T412 N415 N416 D524 T526	T412-V495 HydrophobicContact CG2-CG2 4.29Å; N415-V495 HydrophobicContact CB-CG2 3.63Å; N416-V495 PolarHBondContact ND2-O 2.76Å; N416-V495 PolarHBondContact OD1-N 3.36Å; V495-D524 WeakPolarHBondContact CA-O 3.32Å; V495-D524 WeakPolarHBondContact CB-O 3.27Å; V495-D524 HydrophobicContact CG1-CB 4.22Å; V495-T526 HydrophobicContact CG2-CG2 4.27Å
496	L	96.8	Very high	95	Very high	59 Å²	59	58.8 Å²	58.8	31%	0.309	30%	0.296	S	S	.	.			trans	-148.5	132.6	174.5	178.1	66.3	0	0	0	109	T498 L503 F523 D524 I525 T526	L496-T498 PolarHBondContact O-N 2.88Å; L496-L503 HydrophobicContact CD2-CD1 3.96Å; L496-F523 HydrophobicContact CB-CD1 3.97Å; L496-F523 HydrophobicContact CB-CE1 4.48Å; L496-D524 PolarHBondContact N-O 2.84Å; L496-D524 VanDerWaalsContact N-O 3.08Å; L496-I525 WeakPolarHBondContact O-CA 3.37Å; L496-T526 PolarHBondContact O-N 2.97Å
497	D	95.1	Very high	95.1	Very high	11 Å²	11	59.7 Å²	59.7	6%	0.059	30%	0.303	C	S	.	.	S	Bend	trans	-84.6	45.9	179.5	-155	42	0	0	0	113.2	S375 Q376 G377 I408 I525 T526	S375-D497 WeakPolarHBondContact CB-OD1 3.4Å; S375-D497 VanDerWaalsContact OG-CG 3.31Å; S375-D497 PolarHBondContact OG-OD1 2.77Å; S375-D497 PolarHBondContact OG-OD2 3.47Å; Q376-D497 VanDerWaalsContact CB-OD2 3.31Å; Q376-D497 WeakPolarHBondContact CB-OD2 3.45Å; Q376-D497 PolarHBondContact N-OD2 3.04Å; G377-D497 WeakPolarHBondContact CA-O 3.28Å; G377-D497 PolarHBondContact N-O 3.42Å; I408-D497 HydrophobicContact CG2-CB 3.9Å; D497-I525 WeakPolarHBondContact OD1-CG1 3.39Å; D497-T526 PolarHBondContact N-OG1 3.31Å
498	T	93.7	Very high	95.2	Very high	69 Å²	69	58.4 Å²	58.4	42%	0.423	29%	0.292	S	S	.	.	S	Bend	trans	-135.1	142.2	-179.8	-56.6	0	0	0	0	109.1	L496 D500	L496-T498 PolarHBondContact O-N 2.88Å; T498-D500 PolarHBondContact O-N 3.2Å
499	N	93.6	Very high	95.4	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.048	27%	0.27	C	S	.	.			trans	-73.6	88	175.7	-70.6	-8.9	0	0	0	111	G377 P873 L875	G377-N499 PolarHBondContact O-ND2 3.36Å; N499-P873 CarbonylContact C-O 3.59Å; N499-P873 WeakPolarHBondContact CA-O 3.42Å; N499-P873 HydrophobicContact CB-CB 4.32Å; N499-P873 WeakPolarHBondContact OD1-CG 3.41Å; N499-L875 HydrophobicContact CB-CD2 4.09Å; N499-L875 HydrophobicContact CB-CG 4.22Å; N499-L875 WeakPolarHBondContact O-CG 3.39Å
500	D	95.3	Very high	95.6	Very high	54 Å²	54	60.5 Å²	60.5	29%	0.289	30%	0.295	S	S	.	.			trans	-122.8	102.6	179.5	-167	-18.2	0	0	0	112.5	T498 F502 L503 I872 P873	T498-D500 PolarHBondContact O-N 3.2Å; D500-F502 VanDerWaalsContact C-N 3.32Å; D500-F502 PolarHBondContact O-N 2.82Å; D500-F502 PolarHBondContact OD1-N 3.38Å; D500-L503 HydrophobicContact CB-CD1 4.03Å; D500-L503 HydrophobicContact CB-CG 4.23Å; D500-I872 HydrophobicContact CB-CD1 4.29Å; D500-I872 WeakPolarHBondContact O-CD1 3.39Å; D500-P873 PolarHBondContact N-O 2.92Å
501	R	95.1	Very high	95.7	Very high	130 Å²	130	62.4 Å²	62.4	49%	0.491	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-71	-23.5	-178	69.6	174.1	75.2	-179	3.1	113.8	L503 R504 L875	R501-L503 PolarHBondContact O-N 3.49Å; R501-R504 WeakPolarHBondContact O-CB 3.48Å; R501-R504 WeakPolarHBondContact O-CD 3.49Å; R501-R504 VanDerWaalsContact O-CG 3.26Å; R501-R504 WeakPolarHBondContact O-CG 3.29Å; R501-R504 PolarHBondContact O-N 2.75Å; R501-L875 PolarHBondContact NH2-O 2.68Å
502	F	95.4	Very high	95.8	Very high	172 Å²	172	64.5 Å²	64.5	75%	0.754	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-78.6	-13.6	-176.4	-79.7	-86.4	0	0	0	112.2	D500 R504	D500-F502 VanDerWaalsContact C-N 3.32Å; D500-F502 PolarHBondContact O-N 2.82Å; D500-F502 PolarHBondContact OD1-N 3.38Å; F502-R504 VanDerWaalsContact C-N 3.35Å
503	L	96.8	Very high	95.7	Very high	38 Å²	38	68.5 Å²	68.5	20%	0.199	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-87.9	0.9	173.7	-57.7	178.8	0	0	0	114	L496 D500 R501 K505 I506 F523	L496-L503 HydrophobicContact CD2-CD1 3.96Å; D500-L503 HydrophobicContact CB-CD1 4.03Å; D500-L503 HydrophobicContact CB-CG 4.23Å; R501-L503 PolarHBondContact O-N 3.49Å; L503-K505 PolarHBondContact O-N 2.86Å; L503-I506 HydrophobicContact CD2-CG2 4.2Å; L503-F523 HydrophobicContact CB-CB 3.72Å; L503-F523 HydrophobicContact CB-CD2 3.92Å; L503-F523 HydrophobicContact CB-CG 3.98Å; L503-F523 HydrophobicContact CD1-CB 4.32Å; L503-F523 HydrophobicContact CD1-CD1 4.27Å; L503-F523 HydrophobicContact CD1-CD2 4.23Å; L503-F523 HydrophobicContact CD1-CG 4.02Å; L503-F523 HydrophobicContact CD2-CD2 4.35Å; L503-F523 HydrophobicContact CG-CD2 4.41Å; L503-F523 PolarHBondContact O-N 3.42Å
504	R	94.6	Very high	95.7	Very high	101 Å²	101	70.2 Å²	70.2	38%	0.381	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-60	-25.9	177.1	-75.9	174.1	-179.4	171	0.4	113.8	R501 F502 Q522 I872	R501-R504 WeakPolarHBondContact O-CB 3.48Å; R501-R504 WeakPolarHBondContact O-CD 3.49Å; R501-R504 VanDerWaalsContact O-CG 3.26Å; R501-R504 WeakPolarHBondContact O-CG 3.29Å; R501-R504 PolarHBondContact O-N 2.75Å; F502-R504 VanDerWaalsContact C-N 3.35Å; R504-Q522 WeakPolarHBondContact O-CB 3.45Å; R504-I872 HydrophobicContact CB-CG2 4.38Å; R504-I872 HydrophobicContact CG-CG2 3.31Å; R504-I872 PolarHBondContact NE-O 2.85Å; R504-I872 PolarHBondContact NH2-O 2.82Å
505	K	95.6	Very high	95.4	Very high	135 Å²	135	74.9 Å²	74.9	59%	0.587	38%	0.379	S	S	*	.	S	Bend	trans	-156.4	124.5	174.3	-166.3	171.4	-172.8	-173.3	0	109.1	L503 E520	L503-K505 PolarHBondContact O-N 2.86Å; K505-E520 WeakPolarHBondContact CE-OE1 3.34Å; K505-E520 WeakPolarHBondContact CE-OE2 3.46Å; K505-E520 IonicContact NZ-OE1 3.27Å; K505-E520 PolarHBondContact NZ-OE1 3.33Å; K505-E520 IonicContact NZ-OE2 2.78Å; K505-E520 PolarHBondContact NZ-OE2 2.92Å
506	I	96.7	Very high	95.1	Very high	41 Å²	41	77.8 Å²	77.8	21%	0.21	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.5	-177.3	62.5	168.2	0	0	0	110.5	L503 I508 E520 A521 F523	L503-I506 HydrophobicContact CD2-CG2 4.2Å; I506-I508 HydrophobicContact CD1-CG2 3.68Å; I506-I508 HydrophobicContact CG1-CG2 4.19Å; I506-E520 WeakPolarHBondContact O-CA 3.41Å; I506-A521 HydrophobicContact CG1-CB 4.11Å; I506-A521 WeakPolarHBondContact CG1-O 3.29Å; I506-A521 PolarHBondContact N-O 2.88Å; I506-A521 PolarHBondContact O-N 2.9Å; I506-A521 VanDerWaalsContact O-O 3.13Å; I506-F523 HydrophobicContact CD1-CD2 3.95Å; I506-F523 HydrophobicContact CD1-CE2 3.61Å
507	T	96.8	Very high	94.9	Very high	64 Å²	64	80.5 Å²	80.5	39%	0.393	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.5	167.8	-56.7	0	0	0	0	109.1	Q510 R519	T507-Q510 HydrophobicContact CG2-CG 4.22Å; T507-R519 WeakPolarHBondContact CA-O 2.95Å
508	I	96.6	Very high	94.9	Very high	31 Å²	31	83.8 Å²	83.8	16%	0.159	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	167.6	179.3	65.3	172.5	0	0	0	111.7	D423 I506 T518 R519 A521	D423-I508 VanDerWaalsContact OD2-CD1 3.25Å; D423-I508 WeakPolarHBondContact OD2-CD1 3.49Å; I506-I508 HydrophobicContact CD1-CG2 3.68Å; I506-I508 HydrophobicContact CG1-CG2 4.19Å; I508-T518 VanDerWaalsContact O-CA 3.31Å; I508-T518 WeakPolarHBondContact O-CA 3.43Å; I508-T518 WeakPolarHBondContact O-CB 3.26Å; I508-R519 HydrophobicContact CD1-CG 3.96Å; I508-R519 HydrophobicContact CG1-CG 3.77Å; I508-R519 PolarHBondContact N-O 3.21Å; I508-R519 PolarHBondContact O-N 3.12Å; I508-A521 HydrophobicContact CD1-CB 4.25Å; I508-A521 HydrophobicContact CG1-CB 4.43Å; I508-A521 HydrophobicContact CG2-CB 4.16Å
509	G	95.1	Very high	94.9	Very high	24 Å²	24	82 Å²	82	25%	0.247	42%	0.423	C	S	.	.			trans	76.7	24.1	176.3	0	0	0	0	0	114.5	S511 E514 T518	G509-S511 VanDerWaalsContact C-N 3.32Å; G509-S511 PolarHBondContact O-N 2.89Å; G509-E514 WeakPolarHBondContact O-CB 2.81Å; G509-T518 WeakPolarHBondContact O-CG2 3.35Å
510	Q	96.4	Very high	95	Very high	147 Å²	147	87.4 Å²	87.4	69%	0.687	45%	0.448	S	S	*	.			trans	-79.5	-10.4	-173.5	-64	-170.5	-40.3	0	0	114.5	T507 T518	T507-Q510 HydrophobicContact CG2-CG 4.22Å; Q510-T518 HydrophobicContact CG-CG2 4.31Å
511	S	96	Very high	95	Very high	56 Å²	56	85.1 Å²	85.1	39%	0.392	44%	0.436	S	S	.	.	S	Bend	trans	-70.4	147.2	177.3	160.2	0	0	0	0	110.6	G509 T513 E514	G509-S511 VanDerWaalsContact C-N 3.32Å; G509-S511 PolarHBondContact O-N 2.89Å; S511-T513 PolarHBondContact O-N 2.83Å; S511-T513 VanDerWaalsContact O-N 3.1Å; S511-T513 PolarHBondContact OG-N 3.01Å; S511-T513 PolarHBondContact OG-OG1 3.23Å; S511-E514 WeakPolarHBondContact CB-OE2 3.24Å; S511-E514 PolarHBondContact O-N 2.84Å; S511-E514 VanDerWaalsContact O-N 3.15Å; S511-E514 VanDerWaalsContact O-OE2 3.06Å; S511-E514 PolarHBondContact OG-OE2 2.88Å
512	P	94.8	Very high	95	Very high	122 Å²	122	81 Å²	81	79%	0.792	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-57.5	-24.6	178.1	-26.3	35.2	0	0	0	114.1	E514 K515	P512-E514 PolarHBondContact O-N 3.5Å; P512-K515 PolarHBondContact O-N 3.1Å; P512-K515 VanDerWaalsContact O-N 3.1Å
513	T	94.1	Very high	95.1	Very high	97 Å²	97	74.6 Å²	74.6	60%	0.595	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-65.2	-25	179.3	43.4	0	0	0	0	113.6	S511 K515	S511-T513 PolarHBondContact O-N 2.83Å; S511-T513 VanDerWaalsContact O-N 3.1Å; S511-T513 PolarHBondContact OG-N 3.01Å; S511-T513 PolarHBondContact OG-OG1 3.23Å; T513-K515 PolarHBondContact O-N 3.3Å
514	E	94.6	Very high	95	Very high	68 Å²	68	73.7 Å²	73.7	32%	0.318	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-85	7.5	177.5	-72.1	64.7	-146.5	0	0	111.6	G509 S511 P512 G516 Y517	G509-E514 WeakPolarHBondContact O-CB 2.81Å; S511-E514 WeakPolarHBondContact CB-OE2 3.24Å; S511-E514 PolarHBondContact O-N 2.84Å; S511-E514 VanDerWaalsContact O-N 3.15Å; S511-E514 VanDerWaalsContact O-OE2 3.06Å; S511-E514 PolarHBondContact OG-OE2 2.88Å; P512-E514 PolarHBondContact O-N 3.5Å; E514-G516 PolarHBondContact O-N 3.48Å; E514-G516 VanDerWaalsContact O-N 3.12Å; E514-Y517 WeakPolarHBondContact O-CB 3.31Å; E514-Y517 VanDerWaalsContact O-CD2 3.3Å; E514-Y517 WeakPolarHBondContact O-CD2 3.46Å; E514-Y517 PolarHBondContact O-N 2.92Å
515	K	92.9	Very high	95	Very high	142 Å²	142	68.9 Å²	68.9	62%	0.617	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.3	169.1	-55.2	-178.5	179.9	-179.7	0	114.1	F427 T431 P512 T513 Y517	F427-K515 HydrophobicContact CE2-CB 4.37Å; F427-K515 HydrophobicContact CE2-CD 4.27Å; F427-K515 HydrophobicContact CE2-CG 4.26Å; F427-K515 HydrophobicContact CZ-CD 4.17Å; F427-K515 HydrophobicContact CZ-CG 4.41Å; T431-K515 HydrophobicContact CG2-CD 4.26Å; P512-K515 PolarHBondContact O-N 3.1Å; P512-K515 VanDerWaalsContact O-N 3.1Å; T513-K515 PolarHBondContact O-N 3.3Å; K515-Y517 VanDerWaalsContact C-N 3.27Å; K515-Y517 HydrophobicContact CB-CD2 4.11Å; K515-Y517 HydrophobicContact CB-CE2 4.25Å; K515-Y517 PolarHBondContact O-N 3.33Å
516	G	91.4	Very high	95.1	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	2.4	179.8	0	0	0	0	0	115	E514 T518	E514-G516 PolarHBondContact O-N 3.48Å; E514-G516 VanDerWaalsContact O-N 3.12Å; G516-T518 PolarHBondContact O-N 3.48Å; G516-T518 VanDerWaalsContact O-N 3.14Å
517	Y	92.8	Very high	95	Very high	116 Å²	116	60.7 Å²	60.7	46%	0.455	34%	0.335	S	S	.	.			trans	-76.7	99.8	173.1	-67.5	-83.3	0	0	0	110	F427 A430 T431 E514 K515	F427-Y517 HydrophobicContact CD2-CD2 4.02Å; F427-Y517 HydrophobicContact CD2-CG 4.48Å; F427-Y517 HydrophobicContact CE2-CD2 4.17Å; A430-Y517 HydrophobicContact CB-CD1 4.22Å; A430-Y517 HydrophobicContact CB-CE1 3.44Å; A430-Y517 VanDerWaalsContact CB-CE1 3.44Å; A430-Y517 HydrophobicContact CB-CE2 4.42Å; A430-Y517 PolarHBondContact O-OH 3.38Å; T431-Y517 HydrophobicContact CG2-CD2 4.42Å; T431-Y517 HydrophobicContact CG2-CE2 3.71Å; E514-Y517 WeakPolarHBondContact O-CB 3.31Å; E514-Y517 VanDerWaalsContact O-CD2 3.3Å; E514-Y517 WeakPolarHBondContact O-CD2 3.46Å; E514-Y517 PolarHBondContact O-N 2.92Å; K515-Y517 VanDerWaalsContact C-N 3.27Å; K515-Y517 HydrophobicContact CB-CD2 4.11Å; K515-Y517 HydrophobicContact CB-CE2 4.25Å; K515-Y517 PolarHBondContact O-N 3.33Å
518	T	94.7	Very high	94.9	Very high	80 Å²	80	58.4 Å²	58.4	49%	0.491	32%	0.323	S	S	.	.			trans	-116.6	158	176.3	58.9	0	0	0	0	110.9	I508 G509 Q510 G516	I508-T518 VanDerWaalsContact O-CA 3.31Å; I508-T518 WeakPolarHBondContact O-CA 3.43Å; I508-T518 WeakPolarHBondContact O-CB 3.26Å; G509-T518 WeakPolarHBondContact O-CG2 3.35Å; Q510-T518 HydrophobicContact CG-CG2 4.31Å; G516-T518 PolarHBondContact O-N 3.48Å; G516-T518 VanDerWaalsContact O-N 3.14Å
519	R	93.9	Very high	94.9	Very high	31 Å²	31	57.2 Å²	57.2	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.9	168.3	69.6	172.3	-176.6	92.3	-6.6	112.1	D423 T507 I508	D423-R519 IonicContact OD1-CZ 2.68Å; D423-R519 IonicContact OD1-NE 2.72Å; D423-R519 PolarHBondContact OD1-NE 2.7Å; D423-R519 IonicContact OD1-NH2 2.79Å; D423-R519 PolarHBondContact OD1-NH2 3.29Å; D423-R519 IonicContact OD2-NH2 2.91Å; D423-R519 PolarHBondContact OD2-NH2 2.83Å; T507-R519 WeakPolarHBondContact CA-O 2.95Å; I508-R519 HydrophobicContact CD1-CG 3.96Å; I508-R519 HydrophobicContact CG1-CG 3.77Å; I508-R519 PolarHBondContact N-O 3.21Å; I508-R519 PolarHBondContact O-N 3.12Å
520	E	95.4	Very high	95	Very high	122 Å²	122	57 Å²	57	57%	0.57	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.4	165.8	-60.2	-163.9	131.4	0	0	110.2	K505 I506	K505-E520 WeakPolarHBondContact CE-OE1 3.34Å; K505-E520 WeakPolarHBondContact CE-OE2 3.46Å; K505-E520 IonicContact NZ-OE1 3.27Å; K505-E520 PolarHBondContact NZ-OE1 3.33Å; K505-E520 IonicContact NZ-OE2 2.78Å; K505-E520 PolarHBondContact NZ-OE2 2.92Å; I506-E520 WeakPolarHBondContact O-CA 3.41Å
521	A	94.7	Very high	95.1	Very high	6 Å²	6	50.1 Å²	50.1	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	171.6	175.9	0	0	0	0	0	109.8	I506 I508	I506-A521 HydrophobicContact CG1-CB 4.11Å; I506-A521 WeakPolarHBondContact CG1-O 3.29Å; I506-A521 PolarHBondContact N-O 2.88Å; I506-A521 PolarHBondContact O-N 2.9Å; I506-A521 VanDerWaalsContact O-O 3.13Å; I508-A521 HydrophobicContact CD1-CB 4.25Å; I508-A521 HydrophobicContact CG1-CB 4.43Å; I508-A521 HydrophobicContact CG2-CB 4.16Å
522	Q	95.3	Very high	95.3	Very high	45 Å²	45	47.5 Å²	47.5	21%	0.21	26%	0.259	C	S	.	.			trans	-142.1	169.3	170.3	61.8	177.4	67.4	0	0	111.4	Q493 R494 R504 D524	Q493-Q522 HydrophobicContact CB-CG 3.93Å; Q493-Q522 HydrophobicContact CG-CG 3.43Å; Q493-Q522 VanDerWaalsContact CG-CG 3.43Å; Q493-Q522 PolarHBondContact OE1-O 2.83Å; R494-Q522 PolarHBondContact N-O 2.73Å; R494-Q522 VanDerWaalsContact N-O 3.17Å; R504-Q522 WeakPolarHBondContact O-CB 3.45Å; Q522-D524 PolarHBondContact NE2-OD1 3.34Å
523	F	97.2	Very high	95.4	Very high	36 Å²	36	41.7 Å²	41.7	16%	0.158	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.2	164.3	-75.5	-112.7	0	0	0	110.9	R494 L496 L503 I506 I872	R494-F523 HydrophobicContact CB-CD1 3.72Å; R494-F523 HydrophobicContact CB-CD2 4.06Å; R494-F523 HydrophobicContact CB-CE1 3.54Å; R494-F523 HydrophobicContact CB-CE2 3.88Å; R494-F523 HydrophobicContact CB-CG 3.98Å; R494-F523 HydrophobicContact CB-CZ 3.63Å; R494-F523 HydrophobicContact CG-CZ 4.25Å; R494-F523 CarbonylContact O-C 3.47Å; R494-F523 VanDerWaalsContact O-CA 3.23Å; R494-F523 WeakPolarHBondContact O-CA 3.41Å; L496-F523 HydrophobicContact CB-CD1 3.97Å; L496-F523 HydrophobicContact CB-CE1 4.48Å; L503-F523 HydrophobicContact CB-CB 3.72Å; L503-F523 HydrophobicContact CB-CD2 3.92Å; L503-F523 HydrophobicContact CB-CG 3.98Å; L503-F523 HydrophobicContact CD1-CB 4.32Å; L503-F523 HydrophobicContact CD1-CD1 4.27Å; L503-F523 HydrophobicContact CD1-CD2 4.23Å; L503-F523 HydrophobicContact CD1-CG 4.02Å; L503-F523 HydrophobicContact CD2-CD2 4.35Å; L503-F523 HydrophobicContact CG-CD2 4.41Å; L503-F523 PolarHBondContact O-N 3.42Å; I506-F523 HydrophobicContact CD1-CD2 3.95Å; I506-F523 HydrophobicContact CD1-CE2 3.61Å; F523-I872 HydrophobicContact CB-CD1 4.12Å; F523-I872 VanDerWaalsContact O-CG2 3.27Å; F523-I872 WeakPolarHBondContact O-CG2 3.41Å
524	D	95.3	Very high	95.6	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	161.4	166.1	-57.6	-35.8	0	0	0	109.7	R494 V495 L496 Q522 A528 T871	R494-D524 PolarHBondContact O-N 2.89Å; V495-D524 WeakPolarHBondContact CA-O 3.32Å; V495-D524 WeakPolarHBondContact CB-O 3.27Å; V495-D524 HydrophobicContact CG1-CB 4.22Å; L496-D524 PolarHBondContact N-O 2.84Å; L496-D524 VanDerWaalsContact N-O 3.08Å; Q522-D524 PolarHBondContact NE2-OD1 3.34Å; D524-A528 HydrophobicContact CB-CB 4.1Å; D524-T871 WeakPolarHBondContact OD1-CB 3.24Å; D524-T871 PolarHBondContact OD1-OG1 3.39Å
525	I	95	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.			trans	-66.6	143.4	170.8	-160	166.6	0	0	0	109.5	S375 L496 D497 V527 A528 F601 T871 P873	S375-I525 VanDerWaalsContact OG-CD1 3.27Å; S375-I525 WeakPolarHBondContact OG-CD1 3.28Å; L496-I525 WeakPolarHBondContact O-CA 3.37Å; D497-I525 WeakPolarHBondContact OD1-CG1 3.39Å; I525-V527 HydrophobicContact CG1-CG2 4.45Å; I525-V527 HydrophobicContact CG2-CG2 3.66Å; I525-V527 PolarHBondContact O-N 2.84Å; I525-V527 VanDerWaalsContact O-N 3.09Å; I525-A528 HydrophobicContact CG2-CB 3.98Å; I525-A528 WeakPolarHBondContact O-CA 3.38Å; I525-A528 WeakPolarHBondContact O-CB 3.39Å; I525-A528 PolarHBondContact O-N 2.77Å; I525-F601 HydrophobicContact CG2-CE1 3.82Å; I525-F601 HydrophobicContact CG2-CE2 4.14Å; I525-F601 HydrophobicContact CG2-CZ 3.48Å; I525-F601 VanDerWaalsContact CG2-CZ 3.48Å; I525-T871 VanDerWaalsContact CG2-O 3.29Å; I525-T871 WeakPolarHBondContact CG2-O 3.43Å; I525-T871 PolarHBondContact N-O 3.36Å; I525-P873 HydrophobicContact CD1-CG 4.32Å
526	T	97.3	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.7	-38.1	-171.8	-63.8	0	0	0	0	114.1	I408 I411 T412 V495 L496 D497 A528 S529	I408-T526 HydrophobicContact CG2-CG2 3.57Å; I408-T526 WeakPolarHBondContact O-CG2 3.41Å; I411-T526 HydrophobicContact CB-CG2 3.92Å; I411-T526 HydrophobicContact CG2-CG2 3.6Å; T412-T526 WeakPolarHBondContact OG1-CG2 3.31Å; T412-T526 PolarHBondContact OG1-OG1 2.89Å; V495-T526 HydrophobicContact CG2-CG2 4.27Å; L496-T526 PolarHBondContact O-N 2.97Å; D497-T526 PolarHBondContact N-OG1 3.31Å; T526-A528 PolarHBondContact O-N 3.36Å; T526-A528 VanDerWaalsContact O-N 3.13Å; T526-S529 WeakPolarHBondContact O-CB 3.46Å; T526-S529 PolarHBondContact O-N 3.36Å
527	V	94.4	Very high	96.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-67.4	-9.2	178	-62.2	0	0	0	0	114.5	I408 I525 M532 G599 F601	I408-V527 HydrophobicContact CD1-CG1 4.04Å; I525-V527 HydrophobicContact CG1-CG2 4.45Å; I525-V527 HydrophobicContact CG2-CG2 3.66Å; I525-V527 PolarHBondContact O-N 2.84Å; I525-V527 VanDerWaalsContact O-N 3.09Å; V527-M532 HydrophobicContact CG1-CE 3.96Å; V527-G599 WeakPolarHBondContact CB-O 3.38Å; V527-F601 HydrophobicContact CB-CD1 4.42Å; V527-F601 HydrophobicContact CG2-CD1 3.6Å; V527-F601 HydrophobicContact CG2-CE1 3.35Å; V527-F601 HydrophobicContact CG2-CZ 4.33Å; V527-F601 PolarHBondContact O-N 2.87Å
528	A	94.7	Very high	96.7	Very high	15 Å²	15	18.7 Å²	18.7	12%	0.124	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-86	-10.4	170.3	0	0	0	0	0	113.4	D524 I525 T526 F601 I604	D524-A528 HydrophobicContact CB-CB 4.1Å; I525-A528 HydrophobicContact CG2-CB 3.98Å; I525-A528 WeakPolarHBondContact O-CA 3.38Å; I525-A528 WeakPolarHBondContact O-CB 3.39Å; I525-A528 PolarHBondContact O-N 2.77Å; T526-A528 PolarHBondContact O-N 3.36Å; T526-A528 VanDerWaalsContact O-N 3.13Å; A528-F601 HydrophobicContact CB-CD2 4.31Å; A528-F601 HydrophobicContact CB-CE2 4.49Å; A528-I604 HydrophobicContact CB-CD1 3.69Å
529	S	96.9	Very high	96.8	Very high	7 Å²	7	16.9 Å²	16.9	5%	0.049	9%	0.087	C	C	.	.	S	Bend	trans	-60.1	142.7	178.7	178.8	0	0	0	0	112.1	N415 T526 I531 M532 A533	N415-S529 PolarHBondContact OD1-OG 3.02Å; T526-S529 WeakPolarHBondContact O-CB 3.46Å; T526-S529 PolarHBondContact O-N 3.36Å; S529-I531 PolarHBondContact O-N 3.34Å; S529-I531 PolarHBondContact OG-N 2.74Å; S529-I531 VanDerWaalsContact OG-N 3.1Å; S529-M532 WeakPolarHBondContact O-CB 3.14Å; S529-M532 PolarHBondContact O-N 2.97Å; S529-M532 VanDerWaalsContact O-N 3.08Å; S529-A533 PolarHBondContact O-N 3.21Å
530	E	98	Very high	97	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.093	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-31.8	169.1	-178.7	173.5	-175.5	0	0	111.8	W492 M532 A533 V534 M551 S856 V857 G858 A859	W492-E530 HydrophobicContact CH2-CB 4.13Å; W492-E530 HydrophobicContact CZ3-CB 4.07Å; E530-M532 PolarHBondContact O-N 3.37Å; E530-A533 CarbonylContact O-C 3.21Å; E530-A533 WeakPolarHBondContact O-CA 3.38Å; E530-A533 WeakPolarHBondContact O-CB 3.43Å; E530-A533 PolarHBondContact O-N 2.97Å; E530-V534 HydrophobicContact CG-CG2 4.34Å; E530-V534 WeakPolarHBondContact O-CG2 3.41Å; E530-V534 PolarHBondContact O-N 2.95Å; E530-M551 HydrophobicContact CB-SD 4.44Å; E530-M551 HydrophobicContact CG-CG 4.33Å; E530-M551 HydrophobicContact CG-SD 4.03Å; E530-S856 VanDerWaalsContact OE1-CA 3.24Å; E530-S856 WeakPolarHBondContact OE1-CA 3.48Å; E530-V857 PolarHBondContact OE1-N 2.72Å; E530-G858 WeakPolarHBondContact OE1-CA 2.97Å; E530-G858 PolarHBondContact OE1-N 3.02Å; E530-A859 HydrophobicContact CG-CB 4.14Å; E530-A859 PolarHBondContact OE1-N 3.46Å; E530-A859 VanDerWaalsContact OE1-N 3.09Å
531	I	98.6	Very high	97.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-34.5	177.1	-63.3	-179.4	0	0	0	111	I411 A414 N415 W492 S529 A533 V534 L535 L548 M551 M577	I411-I531 HydrophobicContact CG1-CG2 4.19Å; I411-I531 HydrophobicContact CG2-CB 4.13Å; I411-I531 HydrophobicContact CG2-CG2 4.12Å; A414-I531 HydrophobicContact CB-CD1 3.79Å; N415-I531 HydrophobicContact CB-CD1 4.12Å; W492-I531 HydrophobicContact CH2-CD1 4.39Å; W492-I531 HydrophobicContact CH2-CG1 4Å; W492-I531 HydrophobicContact CZ2-CD1 4.08Å; W492-I531 HydrophobicContact CZ2-CG1 4.14Å; S529-I531 PolarHBondContact O-N 3.34Å; S529-I531 PolarHBondContact OG-N 2.74Å; S529-I531 VanDerWaalsContact OG-N 3.1Å; I531-A533 VanDerWaalsContact C-N 3.34Å; I531-V534 PolarHBondContact O-N 3.07Å; I531-L535 WeakPolarHBondContact O-CB 3.38Å; I531-L535 PolarHBondContact O-N 2.86Å; I531-L548 HydrophobicContact CD1-CD2 4.46Å; I531-L548 HydrophobicContact CG1-CD2 4.08Å; I531-L548 HydrophobicContact CG2-CD2 4.21Å; I531-M551 HydrophobicContact CD1-CE 4.12Å; I531-M551 HydrophobicContact CG1-CE 3.76Å; I531-M551 HydrophobicContact CG1-SD 3.82Å; I531-M577 HydrophobicContact CG2-CE 3.97Å; I531-M577 HydrophobicContact CG2-CG 4.37Å; I531-M577 HydrophobicContact CG2-SD 3.94Å
532	M	98.6	Very high	97.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-40.7	172.6	178.9	57.6	87.2	0	0	111.4	I408 I411 V527 S529 E530 L535 A536 A598 G599 P600	I408-M532 HydrophobicContact CG1-CE 3.94Å; I411-M532 HydrophobicContact CD1-CB 4.14Å; I411-M532 HydrophobicContact CD1-CE 3.25Å; I411-M532 HydrophobicContact CD1-CG 4.47Å; I411-M532 HydrophobicContact CD1-SD 3.6Å; I411-M532 VanDerWaalsContact CD1-SD 3.6Å; I411-M532 HydrophobicContact CG2-CB 4.48Å; V527-M532 HydrophobicContact CG1-CE 3.96Å; S529-M532 WeakPolarHBondContact O-CB 3.14Å; S529-M532 PolarHBondContact O-N 2.97Å; S529-M532 VanDerWaalsContact O-N 3.08Å; E530-M532 PolarHBondContact O-N 3.37Å; M532-L535 PolarHBondContact O-N 3.21Å; M532-L535 HydrophobicContact SD-CD2 4.39Å; M532-A536 WeakPolarHBondContact O-CB 3.33Å; M532-A536 PolarHBondContact O-N 3.4Å; M532-A598 HydrophobicContact SD-CB 3.96Å; M532-G599 PolarHBondContact SD-N 2.74Å; M532-P600 HydrophobicContact CG-CB 3.98Å
533	A	98.3	Very high	97.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-68.2	-37.5	175.6	0	0	0	0	0	112.3	S529 E530 I531 A536 L537 A605 A859 F861	S529-A533 PolarHBondContact O-N 3.21Å; E530-A533 CarbonylContact O-C 3.21Å; E530-A533 WeakPolarHBondContact O-CA 3.38Å; E530-A533 WeakPolarHBondContact O-CB 3.43Å; E530-A533 PolarHBondContact O-N 2.97Å; I531-A533 VanDerWaalsContact C-N 3.34Å; A533-A536 PolarHBondContact O-N 2.99Å; A533-L537 WeakPolarHBondContact O-CB 3.23Å; A533-L537 WeakPolarHBondContact O-CG 3.41Å; A533-L537 PolarHBondContact O-N 2.68Å; A533-A605 HydrophobicContact CB-CB 4.29Å; A533-A859 HydrophobicContact CB-CB 3.72Å; A533-F861 HydrophobicContact CB-CE1 4.21Å; A533-F861 HydrophobicContact CB-CZ 4.11Å
534	V	98.8	Very high	97.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-47.4	172.4	167.7	0	0	0	0	110.9	E530 I531 A536 L537 T538 M544 R547 L548 M551 A859	E530-V534 HydrophobicContact CG-CG2 4.34Å; E530-V534 WeakPolarHBondContact O-CG2 3.41Å; E530-V534 PolarHBondContact O-N 2.95Å; I531-V534 PolarHBondContact O-N 3.07Å; V534-A536 VanDerWaalsContact C-N 3.28Å; V534-A536 PolarHBondContact O-N 3.05Å; V534-L537 PolarHBondContact O-N 3.26Å; V534-T538 WeakPolarHBondContact O-CB 3.48Å; V534-T538 PolarHBondContact O-N 3.46Å; V534-M544 HydrophobicContact CG1-CG 4.12Å; V534-R547 HydrophobicContact CG1-CB 3.65Å; V534-R547 HydrophobicContact CG2-CB 4.18Å; V534-L548 HydrophobicContact CG1-CD2 4.15Å; V534-L548 HydrophobicContact CG1-CG 4.14Å; V534-M551 HydrophobicContact CG2-SD 4.1Å; V534-A859 HydrophobicContact CG2-CB 4.28Å
535	L	98.8	Very high	97.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-42.5	176.2	175.4	63.4	0	0	0	111.4	I411 I531 M532 M577 A580 I581 A598	I411-L535 HydrophobicContact CD1-CD2 3.9Å; I531-L535 WeakPolarHBondContact O-CB 3.38Å; I531-L535 PolarHBondContact O-N 2.86Å; M532-L535 PolarHBondContact O-N 3.21Å; M532-L535 HydrophobicContact SD-CD2 4.39Å; L535-M577 HydrophobicContact CB-CE 4.26Å; L535-M577 HydrophobicContact CD1-CE 4.3Å; L535-M577 HydrophobicContact CD2-CE 4.15Å; L535-M577 HydrophobicContact CG-CE 4.47Å; L535-A580 VanDerWaalsContact CD1-O 3.25Å; L535-A580 WeakPolarHBondContact CD1-O 3.45Å; L535-I581 HydrophobicContact CD1-CB 4.39Å; L535-I581 HydrophobicContact CD1-CG1 4.49Å; L535-A598 HydrophobicContact CD2-CB 4.15Å; L535-A598 HydrophobicContact CG-CB 4.12Å
536	A	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.6	-30.6	179.3	0	0	0	0	0	113.5	M532 A533 V534 A598 P600 H606 S610 I611	M532-A536 WeakPolarHBondContact O-CB 3.33Å; M532-A536 PolarHBondContact O-N 3.4Å; A533-A536 PolarHBondContact O-N 2.99Å; V534-A536 VanDerWaalsContact C-N 3.28Å; V534-A536 PolarHBondContact O-N 3.05Å; A536-A598 HydrophobicContact CB-CB 3.72Å; A536-P600 HydrophobicContact CB-CG 3.91Å; A536-H606 VanDerWaalsContact CB-CE1 3.47Å; A536-H606 WeakPolarHBondContact CB-CE1 3.43Å; A536-H606 WeakPolarHBondContact CB-NE2 3.33Å; A536-S610 CarbonylContact O-C 3.59Å; A536-S610 VanDerWaalsContact O-CA 3.27Å; A536-S610 WeakPolarHBondContact O-CA 3.21Å; A536-I611 PolarHBondContact O-N 3.05Å
537	L	98.8	Very high	97.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-100.8	0.1	-175.6	-67.4	174.6	0	0	0	114.7	A533 V534 R547 H606 I611 I645 K646 Y649 A859 F861	A533-L537 WeakPolarHBondContact O-CB 3.23Å; A533-L537 WeakPolarHBondContact O-CG 3.41Å; A533-L537 PolarHBondContact O-N 2.68Å; V534-L537 PolarHBondContact O-N 3.26Å; L537-R547 PolarHBondContact O-NH2 2.84Å; L537-H606 VanDerWaalsContact CG-CE1 3.47Å; L537-H606 WeakPolarHBondContact CG-CE1 3.42Å; L537-I611 HydrophobicContact CB-CD1 4.46Å; L537-I611 HydrophobicContact CD2-CD1 4Å; L537-I611 WeakPolarHBondContact O-CD1 3.23Å; L537-I645 HydrophobicContact CD1-CG2 3.89Å; L537-I645 HydrophobicContact CD2-CG2 4.14Å; L537-K646 HydrophobicContact CD2-CB 4.23Å; L537-Y649 HydrophobicContact CD1-CD2 4.25Å; L537-Y649 HydrophobicContact CD2-CD2 4.35Å; L537-A859 HydrophobicContact CD1-CB 4.38Å; L537-A859 VanDerWaalsContact CD1-O 3.32Å; L537-A859 WeakPolarHBondContact CD1-O 3.34Å; L537-F861 HydrophobicContact CD1-CD1 4.14Å; L537-F861 HydrophobicContact CD1-CE1 3.95Å
538	T	98.5	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.			trans	-79.1	148.9	179.6	-164.5	0	0	0	0	112.9	V534 S540 D543 M544 I581 L612	V534-T538 WeakPolarHBondContact O-CB 3.48Å; V534-T538 PolarHBondContact O-N 3.46Å; T538-S540 PolarHBondContact OG1-O 3.03Å; T538-D543 WeakPolarHBondContact CA-OD2 3.45Å; T538-D543 WeakPolarHBondContact CB-OD2 3.5Å; T538-D543 PolarHBondContact OG1-OD2 3.37Å; T538-M544 HydrophobicContact CG2-CB 4Å; T538-M544 HydrophobicContact CG2-CG 4.33Å; T538-M544 VanDerWaalsContact OG1-CA 3.28Å; T538-M544 WeakPolarHBondContact OG1-CA 3.31Å; T538-M544 WeakPolarHBondContact OG1-CB 3.27Å; T538-M544 PolarHBondContact OG1-N 3.32Å; T538-I581 HydrophobicContact CG2-CD1 4.09Å; T538-I581 HydrophobicContact CG2-CG1 4.13Å; T538-L612 HydrophobicContact CG2-CD1 3.83Å
539	S	96.9	Very high	98.1	Very high	42 Å²	42	29.9 Å²	29.9	29%	0.294	15%	0.149	S	C	.	.	S	Bend	trans	-111.5	-5.9	175.7	65.6	0	0	0	0	115.1	D543 L612	S539-D543 PolarHBondContact N-OD2 3.34Å; S539-L612 VanDerWaalsContact O-CD2 3.3Å; S539-L612 WeakPolarHBondContact O-CD2 3.22Å
540	S	97.1	Very high	98.1	Very high	43 Å²	43	35.3 Å²	35.3	30%	0.301	17%	0.172	S	C	.	.	S	Bend	trans	-166.2	167.6	178.9	68.2	0	0	0	0	110.7	T538 E542 D543 M544	T538-S540 PolarHBondContact OG1-O 3.03Å; S540-E542 VanDerWaalsContact C-N 3.26Å; S540-E542 PolarHBondContact O-N 3.45Å; S540-D543 PolarHBondContact O-N 2.88Å; S540-D543 WeakPolarHBondContact OG-CB 3.37Å; S540-D543 PolarHBondContact OG-N 3.35Å; S540-M544 PolarHBondContact O-N 3.46Å
541	L	96.9	Very high	98.1	Very high	89 Å²	89	34.3 Å²	34.3	47%	0.466	17%	0.168	S	C	.	.	H	α-helix	trans	-61.5	-36.6	173.8	-178.1	59.8	0	0	0	112.3	M544 R545 I581	L541-M544 HydrophobicContact CD1-CE 3.81Å; L541-R545 PolarHBondContact O-N 2.77Å; L541-R545 VanDerWaalsContact O-N 3.07Å; L541-I581 HydrophobicContact CB-CD1 4.27Å; L541-I581 HydrophobicContact CD1-CD1 4.19Å
542	E	97.2	Very high	98.1	Very high	136 Å²	136	35.1 Å²	35.1	64%	0.636	17%	0.173	S	C	*	.	H	α-helix	trans	-66	-47.9	176.3	-177.2	178.9	-178.6	0	0	111.4	S540 M544 R545 Q546	S540-E542 VanDerWaalsContact C-N 3.26Å; S540-E542 PolarHBondContact O-N 3.45Å; E542-M544 VanDerWaalsContact C-N 3.32Å; E542-M544 PolarHBondContact O-N 2.49Å; E542-R545 PolarHBondContact O-N 2.82Å; E542-Q546 WeakPolarHBondContact O-CG 3.39Å; E542-Q546 PolarHBondContact O-N 3.35Å; E542-Q546 PolarHBondContact OE1-NE2 2.99Å
543	D	98.4	Very high	98	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-41.5	177	174.5	57.3	0	0	0	111.1	T538 S539 S540 R545 Q546 R547	T538-D543 WeakPolarHBondContact CA-OD2 3.45Å; T538-D543 WeakPolarHBondContact CB-OD2 3.5Å; T538-D543 PolarHBondContact OG1-OD2 3.37Å; S539-D543 PolarHBondContact N-OD2 3.34Å; S540-D543 PolarHBondContact O-N 2.88Å; S540-D543 WeakPolarHBondContact OG-CB 3.37Å; S540-D543 PolarHBondContact OG-N 3.35Å; D543-R545 VanDerWaalsContact C-N 3.34Å; D543-R545 PolarHBondContact O-N 3.44Å; D543-Q546 PolarHBondContact O-N 3.46Å; D543-R547 WeakPolarHBondContact O-CB 3.38Å; D543-R547 VanDerWaalsContact O-CG 3.25Å; D543-R547 WeakPolarHBondContact O-CG 3.29Å; D543-R547 PolarHBondContact O-N 2.85Å; D543-R547 IonicContact OD1-CZ 2.7Å; D543-R547 IonicContact OD1-NE 2.69Å; D543-R547 PolarHBondContact OD1-NE 3.12Å; D543-R547 IonicContact OD2-CZ 2.7Å; D543-R547 IonicContact OD2-NE 3.36Å; D543-R547 PolarHBondContact OD2-NE 3.19Å
544	M	98.4	Very high	97.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-45.7	176.4	-171.7	178.5	68.9	0	0	110.9	V534 T538 S540 L541 E542 Q546 R547 L548 M577 I581	V534-M544 HydrophobicContact CG1-CG 4.12Å; T538-M544 HydrophobicContact CG2-CB 4Å; T538-M544 HydrophobicContact CG2-CG 4.33Å; T538-M544 VanDerWaalsContact OG1-CA 3.28Å; T538-M544 WeakPolarHBondContact OG1-CA 3.31Å; T538-M544 WeakPolarHBondContact OG1-CB 3.27Å; T538-M544 PolarHBondContact OG1-N 3.32Å; S540-M544 PolarHBondContact O-N 3.46Å; L541-M544 HydrophobicContact CD1-CE 3.81Å; E542-M544 VanDerWaalsContact C-N 3.32Å; E542-M544 PolarHBondContact O-N 2.49Å; M544-Q546 PolarHBondContact O-N 3.35Å; M544-R547 PolarHBondContact O-N 3.03Å; M544-L548 HydrophobicContact CE-CD1 4.47Å; M544-L548 HydrophobicContact CG-CD1 3.96Å; M544-L548 HydrophobicContact CG-CG 4.29Å; M544-L548 WeakPolarHBondContact O-CB 3.36Å; M544-L548 VanDerWaalsContact O-CG 3.22Å; M544-L548 WeakPolarHBondContact O-CG 3.01Å; M544-L548 PolarHBondContact O-N 3.32Å; M544-M577 HydrophobicContact CE-CB 3.55Å; M544-M577 HydrophobicContact SD-CB 3.93Å; M544-I581 HydrophobicContact CB-CD1 3.9Å; M544-I581 HydrophobicContact CE-CB 4.1Å; M544-I581 HydrophobicContact CE-CD1 3.85Å; M544-I581 HydrophobicContact CE-CG1 4.35Å; M544-I581 HydrophobicContact CG-CD1 4.41Å; M544-I581 HydrophobicContact SD-CB 3.97Å; M544-I581 HydrophobicContact SD-CD1 3.73Å; M544-I581 HydrophobicContact SD-CG1 3.91Å
545	R	97.9	Very high	97.7	Very high	128 Å²	128	36.3 Å²	36.3	48%	0.483	18%	0.18	S	C	.	.	H	α-helix	trans	-60.1	-44.8	176.8	180	-177.3	171.5	174.6	-1.8	111.5	L541 E542 D543 L548 A549 A574	L541-R545 PolarHBondContact O-N 2.77Å; L541-R545 VanDerWaalsContact O-N 3.07Å; E542-R545 PolarHBondContact O-N 2.82Å; D543-R545 VanDerWaalsContact C-N 3.34Å; D543-R545 PolarHBondContact O-N 3.44Å; R545-L548 PolarHBondContact O-N 3.08Å; R545-A549 WeakPolarHBondContact O-CB 3.39Å; R545-A549 PolarHBondContact O-N 3.34Å; R545-A574 HydrophobicContact CB-CB 4.43Å; R545-A574 HydrophobicContact CG-CB 4.41Å
546	Q	98.1	Very high	97.5	Very high	87 Å²	87	36.8 Å²	36.8	41%	0.407	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-40.4	178.6	-69.4	179	12.1	0	0	112	E542 D543 M544 A549 K550	E542-Q546 WeakPolarHBondContact O-CG 3.39Å; E542-Q546 PolarHBondContact O-N 3.35Å; E542-Q546 PolarHBondContact OE1-NE2 2.99Å; D543-Q546 PolarHBondContact O-N 3.46Å; M544-Q546 PolarHBondContact O-N 3.35Å; Q546-A549 PolarHBondContact O-N 3.16Å; Q546-K550 VanDerWaalsContact O-CG 3.29Å; Q546-K550 WeakPolarHBondContact O-CG 3.42Å; Q546-K550 PolarHBondContact O-N 2.87Å
547	R	98.6	Very high	97.2	Very high	24 Å²	24	44.1 Å²	44.1	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-46.9	176.1	-72.8	174.2	175.5	-84.1	6.4	111.7	V534 L537 D543 M544 A549 K550 M551 G858 A859	V534-R547 HydrophobicContact CG1-CB 3.65Å; V534-R547 HydrophobicContact CG2-CB 4.18Å; L537-R547 PolarHBondContact O-NH2 2.84Å; D543-R547 WeakPolarHBondContact O-CB 3.38Å; D543-R547 VanDerWaalsContact O-CG 3.25Å; D543-R547 WeakPolarHBondContact O-CG 3.29Å; D543-R547 PolarHBondContact O-N 2.85Å; D543-R547 IonicContact OD1-CZ 2.7Å; D543-R547 IonicContact OD1-NE 2.69Å; D543-R547 PolarHBondContact OD1-NE 3.12Å; D543-R547 IonicContact OD2-CZ 2.7Å; D543-R547 IonicContact OD2-NE 3.36Å; D543-R547 PolarHBondContact OD2-NE 3.19Å; M544-R547 PolarHBondContact O-N 3.03Å; R547-A549 VanDerWaalsContact C-N 3.26Å; R547-A549 PolarHBondContact O-N 3.16Å; R547-K550 PolarHBondContact O-N 2.73Å; R547-K550 VanDerWaalsContact O-N 3.12Å; R547-M551 WeakPolarHBondContact O-CG 3.33Å; R547-M551 PolarHBondContact O-N 2.81Å; R547-G858 VanDerWaalsContact CB-O 3.28Å; R547-G858 WeakPolarHBondContact CB-O 3.4Å; R547-G858 VanDerWaalsContact CG-O 3.27Å; R547-G858 WeakPolarHBondContact CG-O 3.28Å; R547-G858 PolarHBondContact NH1-O 2.95Å; R547-G858 WeakPolarHBondContact O-CA 3.17Å; R547-A859 PolarHBondContact NH1-O 2.69Å
548	L	98.7	Very high	96.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-42.3	175.5	-73.1	170.7	0	0	0	111	I531 V534 M544 R545 K550 M551 T564 L573 A574	I531-L548 HydrophobicContact CD1-CD2 4.46Å; I531-L548 HydrophobicContact CG1-CD2 4.08Å; I531-L548 HydrophobicContact CG2-CD2 4.21Å; V534-L548 HydrophobicContact CG1-CD2 4.15Å; V534-L548 HydrophobicContact CG1-CG 4.14Å; M544-L548 HydrophobicContact CE-CD1 4.47Å; M544-L548 HydrophobicContact CG-CD1 3.96Å; M544-L548 HydrophobicContact CG-CG 4.29Å; M544-L548 WeakPolarHBondContact O-CB 3.36Å; M544-L548 VanDerWaalsContact O-CG 3.22Å; M544-L548 WeakPolarHBondContact O-CG 3.01Å; M544-L548 PolarHBondContact O-N 3.32Å; R545-L548 PolarHBondContact O-N 3.08Å; L548-K550 VanDerWaalsContact C-N 3.34Å; L548-K550 PolarHBondContact O-N 3.11Å; L548-M551 HydrophobicContact CD2-CE 3.78Å; L548-M551 HydrophobicContact CD2-SD 4.13Å; L548-M551 WeakPolarHBondContact O-CE 3.25Å; L548-M551 PolarHBondContact O-N 3.42Å; L548-T564 PolarHBondContact O-OG1 3.24Å; L548-L573 HydrophobicContact CB-CD1 4.43Å; L548-L573 HydrophobicContact CD1-CB 3.93Å; L548-L573 HydrophobicContact CD2-CB 4.34Å; L548-L573 HydrophobicContact CD2-CD1 4.31Å; L548-A574 HydrophobicContact CD1-CB 4.49Å
549	A	98	Very high	96.2	Very high	15 Å²	15	49.8 Å²	49.8	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-30.6	177.3	0	0	0	0	0	114.5	R545 Q546 R547 T563 T564 E565	R545-A549 WeakPolarHBondContact O-CB 3.39Å; R545-A549 PolarHBondContact O-N 3.34Å; Q546-A549 PolarHBondContact O-N 3.16Å; R547-A549 VanDerWaalsContact C-N 3.26Å; R547-A549 PolarHBondContact O-N 3.16Å; A549-T563 WeakPolarHBondContact O-CB 3.12Å; A549-T564 WeakPolarHBondContact CA-OG1 3.47Å; A549-T564 PolarHBondContact O-OG1 2.98Å; A549-E565 HydrophobicContact CB-CB 4.1Å; A549-E565 HydrophobicContact CB-CG 4.49Å; A549-E565 WeakPolarHBondContact CB-OE2 3.36Å; A549-E565 WeakPolarHBondContact O-CB 3.49Å; A549-E565 PolarHBondContact O-N 2.87Å
550	K	97.4	Very high	96	Very high	121 Å²	121	52.2 Å²	52.2	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-85	-9.6	-177.8	-73.4	171.8	-177.4	176.5	0	114.1	Q546 R547 L548 V552	Q546-K550 VanDerWaalsContact O-CG 3.29Å; Q546-K550 WeakPolarHBondContact O-CG 3.42Å; Q546-K550 PolarHBondContact O-N 2.87Å; R547-K550 PolarHBondContact O-N 2.73Å; R547-K550 VanDerWaalsContact O-N 3.12Å; L548-K550 VanDerWaalsContact C-N 3.34Å; L548-K550 PolarHBondContact O-N 3.11Å; K550-V552 PolarHBondContact O-N 2.58Å
551	M	98.3	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.			trans	-59.4	126.3	-179.9	-64.8	-173.3	-48.3	0	0	110.1	W492 E530 I531 V534 R547 L548 T563 T564 L573	W492-M551 HydrophobicContact CH2-CE 3.6Å; W492-M551 HydrophobicContact CH2-SD 3.62Å; W492-M551 HydrophobicContact CZ2-CE 4.29Å; W492-M551 HydrophobicContact CZ3-CB 4.13Å; W492-M551 HydrophobicContact CZ3-CE 4.23Å; W492-M551 HydrophobicContact CZ3-SD 4.03Å; E530-M551 HydrophobicContact CB-SD 4.44Å; E530-M551 HydrophobicContact CG-CG 4.33Å; E530-M551 HydrophobicContact CG-SD 4.03Å; I531-M551 HydrophobicContact CD1-CE 4.12Å; I531-M551 HydrophobicContact CG1-CE 3.76Å; I531-M551 HydrophobicContact CG1-SD 3.82Å; V534-M551 HydrophobicContact CG2-SD 4.1Å; R547-M551 WeakPolarHBondContact O-CG 3.33Å; R547-M551 PolarHBondContact O-N 2.81Å; L548-M551 HydrophobicContact CD2-CE 3.78Å; L548-M551 HydrophobicContact CD2-SD 4.13Å; L548-M551 WeakPolarHBondContact O-CE 3.25Å; L548-M551 PolarHBondContact O-N 3.42Å; M551-T563 CarbonylContact O-C 3.44Å; M551-T563 WeakPolarHBondContact O-CA 3.27Å; M551-T564 HydrophobicContact CB-CG2 3.93Å; M551-T564 HydrophobicContact CE-CG2 3.78Å; M551-T564 PolarHBondContact O-N 3.18Å; M551-L573 HydrophobicContact CE-CD1 3.78Å
552	V	97.6	Very high	95.9	Very high	18 Å²	18	47.6 Å²	47.6	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.7	-179.6	176.9	0	0	0	0	108.7	K550 P561 V562 T563 F819 V857	K550-V552 PolarHBondContact O-N 2.58Å; V552-P561 HydrophobicContact CG1-CB 4.02Å; V552-P561 HydrophobicContact CG2-CB 4.02Å; V552-V562 WeakPolarHBondContact CA-O 3.41Å; V552-T563 HydrophobicContact CG2-CG2 4.24Å; V552-F819 HydrophobicContact CG2-CZ 4.06Å; V552-V857 HydrophobicContact CB-CG2 4.23Å; V552-V857 HydrophobicContact CG2-CB 3.92Å; V552-V857 HydrophobicContact CG2-CG1 4.18Å; V552-V857 HydrophobicContact CG2-CG2 3.75Å
553	V	97.4	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-24.8	-174.4	-62.1	0	0	0	0	113.3	V418 V422 T491 W492 V562 T564 L567	V418-V553 HydrophobicContact CG1-CG1 3.56Å; V422-V553 HydrophobicContact CG2-CB 3.94Å; V422-V553 HydrophobicContact CG2-CG1 4.41Å; V422-V553 HydrophobicContact CG2-CG2 3.9Å; T491-V553 PolarHBondContact N-O 3.14Å; T491-V553 PolarHBondContact OG1-O 2.95Å; W492-V553 HydrophobicContact CB-CB 3.92Å; W492-V553 HydrophobicContact CB-CG1 4.12Å; W492-V553 HydrophobicContact CD2-CG1 4.05Å; W492-V553 HydrophobicContact CE3-CG1 3.94Å; W492-V553 HydrophobicContact CG-CB 4.47Å; W492-V553 HydrophobicContact CG-CG1 4.14Å; W492-V553 PolarHBondContact N-O 3.15Å; V553-V562 HydrophobicContact CG2-CB 4.47Å; V553-V562 HydrophobicContact CG2-CG1 4.17Å; V553-V562 WeakPolarHBondContact CG2-O 3.13Å; V553-V562 PolarHBondContact N-O 3.19Å; V553-T564 HydrophobicContact CG1-CG2 3.89Å; V553-L567 HydrophobicContact CG1-CD1 4.32Å; V553-L567 HydrophobicContact CG2-CD1 3.86Å
554	A	96.1	Very high	95.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	177.2	-177.5	0	0	0	0	0	110	I485 V490 V562	I485-A554 HydrophobicContact CG1-CB 4.48Å; I485-A554 HydrophobicContact CG2-CB 3.73Å; V490-A554 HydrophobicContact CG2-CB 4.04Å; A554-V562 PolarHBondContact O-N 3.2Å
555	T	94.3	Very high	95.8	Very high	27 Å²	27	41.7 Å²	41.7	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.4	169.6	-51.1	0	0	0	0	109.1	D486 S489 G559 D560	D486-T555 PolarHBondContact N-O 2.84Å; S489-T555 PolarHBondContact OG-N 3.46Å; S489-T555 PolarHBondContact OG-O 3.44Å; T555-G559 VanDerWaalsContact CG2-CA 3.44Å; T555-G559 WeakPolarHBondContact CG2-O 3.44Å; T555-D560 CarbonylContact C-O 3.54Å; T555-D560 WeakPolarHBondContact CA-O 3.35Å; T555-D560 WeakPolarHBondContact CG2-O 3.22Å
556	S	94.3	Very high	95.8	Very high	10 Å²	10	36 Å²	36	7%	0.07	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-71.2	166.4	169.4	66.2	0	0	0	0	110.7	L483 D484 S558 G559 D560	L483-S556 WeakPolarHBondContact O-CB 3.21Å; D484-S556 CarbonylContact O-C 3.46Å; D484-S556 WeakPolarHBondContact O-CA 3.35Å; S556-S558 PolarHBondContact O-N 3.32Å; S556-S558 PolarHBondContact OG-N 3.34Å; S556-S558 PolarHBondContact OG-OG 3.2Å; S556-G559 PolarHBondContact O-N 2.76Å; S556-G559 PolarHBondContact OG-N 2.96Å; S556-D560 PolarHBondContact N-O 3.32Å; S556-D560 WeakPolarHBondContact OG-CB 3.37Å; S556-D560 PolarHBondContact OG-N 2.96Å; S556-D560 PolarHBondContact OG-O 3.48Å
557	R	93	Very high	95.7	Very high	155 Å²	155	32.9 Å²	32.9	59%	0.585	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	172.3	-59.8	-178.8	-176.4	-81.6	-2.9	113.4	D484 D486 G559	D484-R557 PolarHBondContact O-N 3.49Å; D484-R557 WeakPolarHBondContact OD1-CD 3.48Å; D484-R557 IonicContact OD1-NE 3.86Å; D484-R557 PolarHBondContact OD1-NE 2.9Å; D484-R557 WeakPolarHBondContact OD2-CB 3.41Å; D486-R557 HydrophobicContact CB-CG 4.22Å; R557-G559 VanDerWaalsContact C-N 3.29Å
558	S	89.1	Confident	95.6	Very high	86 Å²	86	33.5 Å²	33.5	60%	0.601	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.4	172.5	56.1	0	0	0	0	113.9	S556 D560	S556-S558 PolarHBondContact O-N 3.32Å; S556-S558 PolarHBondContact OG-N 3.34Å; S556-S558 PolarHBondContact OG-OG 3.2Å; S558-D560 PolarHBondContact OG-OD2 3.35Å
559	G	87.4	Confident	95.5	Very high	33 Å²	33	34.3 Å²	34.3	34%	0.34	20%	0.196	S	C	.	.	S	Bend	trans	92	4.4	-178.3	0	0	0	0	0	114.7	T555 S556 R557 Q817	T555-G559 VanDerWaalsContact CG2-CA 3.44Å; T555-G559 WeakPolarHBondContact CG2-O 3.44Å; S556-G559 PolarHBondContact O-N 2.76Å; S556-G559 PolarHBondContact OG-N 2.96Å; R557-G559 VanDerWaalsContact C-N 3.29Å; G559-Q817 PolarHBondContact O-NE2 3.37Å; G559-Q817 VanDerWaalsContact O-NE2 3.13Å
560	D	91.1	Very high	95.4	Very high	93 Å²	93	33.6 Å²	33.6	50%	0.497	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-83.6	141.1	-178.3	-59.5	-56.2	0	0	0	111.5	T555 S556 S558 V562	T555-D560 CarbonylContact C-O 3.54Å; T555-D560 WeakPolarHBondContact CA-O 3.35Å; T555-D560 WeakPolarHBondContact CG2-O 3.22Å; S556-D560 PolarHBondContact N-O 3.32Å; S556-D560 WeakPolarHBondContact OG-CB 3.37Å; S556-D560 PolarHBondContact OG-N 2.96Å; S556-D560 PolarHBondContact OG-O 3.48Å; S558-D560 PolarHBondContact OG-OD2 3.35Å; D560-V562 PolarHBondContact O-N 3.08Å
561	P	95.1	Very high	95.4	Very high	29 Å²	29	29.4 Å²	29.4	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.1	177.8	27.3	-33.3	0	0	0	111.4	K461 V552 F819	K461-P561 PolarHBondContact NZ-O 2.82Å; V552-P561 HydrophobicContact CG1-CB 4.02Å; V552-P561 HydrophobicContact CG2-CB 4.02Å; P561-F819 HydrophobicContact CB-CZ 4.31Å; P561-F819 HydrophobicContact CG-CZ 4.4Å
562	V	97	Very high	95.4	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.7	172.9	-178	0	0	0	0	109	L483 I485 V552 V553 A554 D560 D566	L483-V562 HydrophobicContact CB-CG1 4.29Å; L483-V562 HydrophobicContact CD1-CG1 3.68Å; L483-V562 HydrophobicContact CG-CG1 4.48Å; I485-V562 HydrophobicContact CD1-CG1 4.23Å; I485-V562 HydrophobicContact CG1-CB 4.42Å; I485-V562 HydrophobicContact CG1-CG1 4.09Å; I485-V562 HydrophobicContact CG1-CG2 4.09Å; V552-V562 WeakPolarHBondContact CA-O 3.41Å; V553-V562 HydrophobicContact CG2-CB 4.47Å; V553-V562 HydrophobicContact CG2-CG1 4.17Å; V553-V562 WeakPolarHBondContact CG2-O 3.13Å; V553-V562 PolarHBondContact N-O 3.19Å; A554-V562 PolarHBondContact O-N 3.2Å; D560-V562 PolarHBondContact O-N 3.08Å; V562-D566 HydrophobicContact CG1-CB 4.22Å
563	T	97.8	Very high	95.4	Very high	20 Å²	20	30.8 Å²	30.8	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	167.6	-174.9	65.6	0	0	0	0	112.9	A549 M551 V552 E565 D566 L567	A549-T563 WeakPolarHBondContact O-CB 3.12Å; M551-T563 CarbonylContact O-C 3.44Å; M551-T563 WeakPolarHBondContact O-CA 3.27Å; V552-T563 HydrophobicContact CG2-CG2 4.24Å; T563-E565 PolarHBondContact O-N 3.19Å; T563-E565 PolarHBondContact OG1-N 2.82Å; T563-D566 WeakPolarHBondContact CB-OD2 3.35Å; T563-D566 PolarHBondContact N-OD2 3.09Å; T563-D566 WeakPolarHBondContact O-CB 3.11Å; T563-D566 PolarHBondContact O-N 3.47Å; T563-D566 VanDerWaalsContact O-N 3.16Å; T563-D566 VanDerWaalsContact OG1-CG 3.29Å; T563-D566 PolarHBondContact OG1-N 3.06Å; T563-D566 VanDerWaalsContact OG1-N 3.16Å; T563-D566 PolarHBondContact OG1-OD2 3.19Å; T563-L567 PolarHBondContact O-N 3.46Å; T563-L567 VanDerWaalsContact O-N 3.15Å
564	T	98.1	Very high	95.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.9	168.9	54.6	0	0	0	0	113.4	V418 L548 A549 M551 V553 L567 G568 V569 L573	V418-T564 HydrophobicContact CG1-CG2 3.92Å; V418-T564 HydrophobicContact CG2-CG2 4.08Å; L548-T564 PolarHBondContact O-OG1 3.24Å; A549-T564 WeakPolarHBondContact CA-OG1 3.47Å; A549-T564 PolarHBondContact O-OG1 2.98Å; M551-T564 HydrophobicContact CB-CG2 3.93Å; M551-T564 HydrophobicContact CE-CG2 3.78Å; M551-T564 PolarHBondContact O-N 3.18Å; V553-T564 HydrophobicContact CG1-CG2 3.89Å; T564-L567 PolarHBondContact O-N 2.98Å; T564-G568 PolarHBondContact O-N 3.21Å; T564-V569 HydrophobicContact CG2-CG2 4.38Å; T564-V569 WeakPolarHBondContact O-CG2 3.44Å; T564-V569 PolarHBondContact O-N 2.97Å; T564-V569 VanDerWaalsContact O-N 3.12Å; T564-L573 HydrophobicContact CG2-CD1 4.24Å
565	E	97.2	Very high	95.6	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.103	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-41.5	170.3	-166.7	73.9	-168.8	0	0	110.3	V454 N457 A549 T563 L567 G568 S570	V454-E565 HydrophobicContact CG2-CG 4.11Å; V454-E565 WeakPolarHBondContact CG2-O 3.46Å; V454-E565 WeakPolarHBondContact CG2-OE1 3.44Å; N457-E565 HydrophobicContact CB-CG 4.25Å; N457-E565 PolarHBondContact ND2-OE1 3.36Å; A549-E565 HydrophobicContact CB-CB 4.1Å; A549-E565 HydrophobicContact CB-CG 4.49Å; A549-E565 WeakPolarHBondContact CB-OE2 3.36Å; A549-E565 WeakPolarHBondContact O-CB 3.49Å; A549-E565 PolarHBondContact O-N 2.87Å; T563-E565 PolarHBondContact O-N 3.19Å; T563-E565 PolarHBondContact OG1-N 2.82Å; E565-L567 VanDerWaalsContact C-N 3.26Å; E565-L567 PolarHBondContact O-N 2.95Å; E565-G568 PolarHBondContact O-N 2.92Å; E565-S570 WeakPolarHBondContact OE2-CB 3.41Å; E565-S570 PolarHBondContact OE2-OG 2.94Å
566	D	96.9	Very high	95.8	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.6	175.9	-65.6	-63.1	0	0	0	112.5	R458 K461 L483 V562 T563 G568	R458-D566 IonicContact NH1-OD1 3.11Å; R458-D566 PolarHBondContact NH1-OD1 3.04Å; K461-D566 WeakPolarHBondContact CD-OD1 3.37Å; K461-D566 IonicContact NZ-OD1 3.22Å; K461-D566 PolarHBondContact NZ-OD1 3.4Å; K461-D566 IonicContact NZ-OD2 2.91Å; K461-D566 PolarHBondContact NZ-OD2 2.86Å; L483-D566 HydrophobicContact CD1-CB 4.26Å; L483-D566 HydrophobicContact CD2-CB 4.04Å; V562-D566 HydrophobicContact CG1-CB 4.22Å; T563-D566 WeakPolarHBondContact CB-OD2 3.35Å; T563-D566 PolarHBondContact N-OD2 3.09Å; T563-D566 WeakPolarHBondContact O-CB 3.11Å; T563-D566 PolarHBondContact O-N 3.47Å; T563-D566 VanDerWaalsContact O-N 3.16Å; T563-D566 VanDerWaalsContact OG1-CG 3.29Å; T563-D566 PolarHBondContact OG1-N 3.06Å; T563-D566 VanDerWaalsContact OG1-N 3.16Å; T563-D566 PolarHBondContact OG1-OD2 3.19Å; D566-G568 PolarHBondContact O-N 2.62Å
567	L	96.4	Very high	96	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.115	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	174.5	-71.4	173.6	0	0	0	113.6	V418 A421 V422 R425 L483 V553 T563 T564 E565 V569	V418-L567 HydrophobicContact CG1-CD1 4.43Å; A421-L567 HydrophobicContact CB-CD1 4.45Å; V422-L567 HydrophobicContact CG2-CD1 3.73Å; R425-L567 HydrophobicContact CB-CD2 3.85Å; R425-L567 HydrophobicContact CG-CD2 4.01Å; L483-L567 HydrophobicContact CD1-CD2 3.63Å; L483-L567 HydrophobicContact CD1-CG 4.24Å; V553-L567 HydrophobicContact CG1-CD1 4.32Å; V553-L567 HydrophobicContact CG2-CD1 3.86Å; T563-L567 PolarHBondContact O-N 3.46Å; T563-L567 VanDerWaalsContact O-N 3.15Å; T564-L567 PolarHBondContact O-N 2.98Å; E565-L567 VanDerWaalsContact C-N 3.26Å; E565-L567 PolarHBondContact O-N 2.95Å; L567-V569 HydrophobicContact CB-CG1 4.38Å; L567-V569 HydrophobicContact CB-CG2 4.05Å
568	G	96	Very high	96.2	Very high	38 Å²	38	35.6 Å²	35.6	39%	0.392	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	11.7	-177.5	0	0	0	0	0	115.1	T564 E565 D566	T564-G568 PolarHBondContact O-N 3.21Å; E565-G568 PolarHBondContact O-N 2.92Å; D566-G568 PolarHBondContact O-N 2.62Å
569	V	97.4	Very high	96.6	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.103	21%	0.214	C	C	.	.			trans	-103.1	-14.3	-169.5	-62.3	0	0	0	0	115	V418 A421 T564 L567 G571 A572 L573	V418-V569 HydrophobicContact CG2-CG2 4.22Å; A421-V569 HydrophobicContact CB-CG1 3.59Å; T564-V569 HydrophobicContact CG2-CG2 4.38Å; T564-V569 WeakPolarHBondContact O-CG2 3.44Å; T564-V569 PolarHBondContact O-N 2.97Å; T564-V569 VanDerWaalsContact O-N 3.12Å; L567-V569 HydrophobicContact CB-CG1 4.38Å; L567-V569 HydrophobicContact CB-CG2 4.05Å; V569-G571 VanDerWaalsContact C-N 3.29Å; V569-G571 PolarHBondContact O-N 3.48Å; V569-G571 VanDerWaalsContact O-N 3.16Å; V569-A572 WeakPolarHBondContact O-CA 3.36Å; V569-A572 WeakPolarHBondContact O-CB 3.44Å; V569-A572 PolarHBondContact O-N 3.22Å; V569-L573 HydrophobicContact CG2-CD1 4.42Å; V569-L573 WeakPolarHBondContact O-CG 3.22Å; V569-L573 PolarHBondContact O-N 3.17Å
570	S	96.2	Very high	97.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-51.8	-41.2	-174.9	62.4	0	0	0	0	114.4	E565 L573 A574	E565-S570 WeakPolarHBondContact OE2-CB 3.41Å; E565-S570 PolarHBondContact OE2-OG 2.94Å; S570-L573 PolarHBondContact O-N 2.93Å; S570-A574 PolarHBondContact O-N 3.12Å
571	G	96.8	Very high	97.5	Very high	33 Å²	33	28.1 Å²	28.1	34%	0.34	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-40.7	176.1	0	0	0	0	0	112.9	V569 L573 A574 V575	V569-G571 VanDerWaalsContact C-N 3.29Å; V569-G571 PolarHBondContact O-N 3.48Å; V569-G571 VanDerWaalsContact O-N 3.16Å; G571-L573 VanDerWaalsContact C-N 3.35Å; G571-A574 PolarHBondContact O-N 3.37Å; G571-V575 WeakPolarHBondContact O-CG2 3.4Å; G571-V575 PolarHBondContact O-N 3.29Å; G571-V575 VanDerWaalsContact O-N 3.13Å
572	A	98.2	Very high	97.7	Very high	46 Å²	46	27.5 Å²	27.5	38%	0.38	17%	0.171	S	C	.	.	H	α-helix	trans	-66.5	-37.8	176	0	0	0	0	0	111.6	L417 V569 A574 V575 L576	L417-A572 HydrophobicContact CD2-CB 3.98Å; V569-A572 WeakPolarHBondContact O-CA 3.36Å; V569-A572 WeakPolarHBondContact O-CB 3.44Å; V569-A572 PolarHBondContact O-N 3.22Å; A572-A574 PolarHBondContact O-N 3.22Å; A572-V575 PolarHBondContact O-N 3.03Å; A572-L576 WeakPolarHBondContact O-CG 3.31Å; A572-L576 PolarHBondContact O-N 2.94Å
573	L	98.4	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-44.3	173.6	-55.5	-179.6	0	0	0	111.3	A414 L417 V418 L548 M551 T564 V569 S570 G571 V575 L576 M577	A414-L573 HydrophobicContact CB-CD2 3.96Å; A414-L573 VanDerWaalsContact O-CD2 3.27Å; A414-L573 WeakPolarHBondContact O-CD2 3.38Å; L417-L573 HydrophobicContact CD2-CD2 4.31Å; V418-L573 HydrophobicContact CG2-CD1 3.58Å; V418-L573 HydrophobicContact CG2-CD2 3.6Å; V418-L573 HydrophobicContact CG2-CG 4.16Å; L548-L573 HydrophobicContact CB-CD1 4.43Å; L548-L573 HydrophobicContact CD1-CB 3.93Å; L548-L573 HydrophobicContact CD2-CB 4.34Å; L548-L573 HydrophobicContact CD2-CD1 4.31Å; M551-L573 HydrophobicContact CE-CD1 3.78Å; T564-L573 HydrophobicContact CG2-CD1 4.24Å; V569-L573 HydrophobicContact CG2-CD1 4.42Å; V569-L573 WeakPolarHBondContact O-CG 3.22Å; V569-L573 PolarHBondContact O-N 3.17Å; S570-L573 PolarHBondContact O-N 2.93Å; G571-L573 VanDerWaalsContact C-N 3.35Å; L573-V575 VanDerWaalsContact C-N 3.27Å; L573-V575 PolarHBondContact O-N 2.74Å; L573-L576 PolarHBondContact O-N 3.1Å; L573-M577 WeakPolarHBondContact O-CB 3.42Å; L573-M577 VanDerWaalsContact O-CG 3.28Å; L573-M577 WeakPolarHBondContact O-CG 3.49Å; L573-M577 PolarHBondContact O-N 3.49Å
574	A	98.1	Very high	97.8	Very high	15 Å²	15	26.3 Å²	26.3	12%	0.124	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-36.6	177.2	0	0	0	0	0	112.3	R545 L548 S570 G571 A572 M577 K578	R545-A574 HydrophobicContact CB-CB 4.43Å; R545-A574 HydrophobicContact CG-CB 4.41Å; L548-A574 HydrophobicContact CD1-CB 4.49Å; S570-A574 PolarHBondContact O-N 3.12Å; G571-A574 PolarHBondContact O-N 3.37Å; A572-A574 PolarHBondContact O-N 3.22Å; A574-M577 PolarHBondContact O-N 3.14Å; A574-K578 PolarHBondContact O-N 3.32Å; A574-K578 VanDerWaalsContact O-N 3.13Å
575	V	98.4	Very high	97.8	Very high	98 Å²	98	26.3 Å²	26.3	59%	0.594	16%	0.163	S	C	*	.	H	α-helix	trans	-66.2	-46.4	174.8	172.7	0	0	0	0	111.5	G571 A572 L573 M577 K578	G571-V575 WeakPolarHBondContact O-CG2 3.4Å; G571-V575 PolarHBondContact O-N 3.29Å; G571-V575 VanDerWaalsContact O-N 3.13Å; A572-V575 PolarHBondContact O-N 3.03Å; L573-V575 VanDerWaalsContact C-N 3.27Å; L573-V575 PolarHBondContact O-N 2.74Å; V575-M577 PolarHBondContact O-N 2.95Å; V575-K578 WeakPolarHBondContact O-CB 3.41Å; V575-K578 WeakPolarHBondContact O-CG 3.32Å; V575-K578 PolarHBondContact O-N 2.9Å
576	L	98.6	Very high	97.9	Very high	71 Å²	71	25.2 Å²	25.2	37%	0.372	16%	0.158	S	C	.	.	H	α-helix	trans	-61.6	-34.2	177.3	-71.4	173	0	0	0	112.2	A414 L417 A572 L573	A414-L576 HydrophobicContact CB-CB 4.24Å; A414-L576 HydrophobicContact CB-CD1 4.04Å; L417-L576 HydrophobicContact CD2-CD1 3.85Å; A572-L576 WeakPolarHBondContact O-CG 3.31Å; A572-L576 PolarHBondContact O-N 2.94Å; L573-L576 PolarHBondContact O-N 3.1Å
577	M	98.5	Very high	97.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.3	-178.2	-64.1	-59.5	-64	0	0	114.1	A410 I411 A414 I531 L535 M544 L573 A574 V575 D579 A580 I581	A410-M577 HydrophobicContact CB-SD 4.16Å; I411-M577 HydrophobicContact CD1-CE 4.4Å; I411-M577 HydrophobicContact CG1-CE 3.59Å; I411-M577 HydrophobicContact CG1-SD 3.93Å; A414-M577 HydrophobicContact CB-CG 4.4Å; A414-M577 HydrophobicContact CB-SD 4.26Å; I531-M577 HydrophobicContact CG2-CE 3.97Å; I531-M577 HydrophobicContact CG2-CG 4.37Å; I531-M577 HydrophobicContact CG2-SD 3.94Å; L535-M577 HydrophobicContact CB-CE 4.26Å; L535-M577 HydrophobicContact CD1-CE 4.3Å; L535-M577 HydrophobicContact CD2-CE 4.15Å; L535-M577 HydrophobicContact CG-CE 4.47Å; M544-M577 HydrophobicContact CE-CB 3.55Å; M544-M577 HydrophobicContact SD-CB 3.93Å; L573-M577 WeakPolarHBondContact O-CB 3.42Å; L573-M577 VanDerWaalsContact O-CG 3.28Å; L573-M577 WeakPolarHBondContact O-CG 3.49Å; L573-M577 PolarHBondContact O-N 3.49Å; A574-M577 PolarHBondContact O-N 3.14Å; V575-M577 PolarHBondContact O-N 2.95Å; M577-D579 VanDerWaalsContact C-N 3.26Å; M577-D579 PolarHBondContact O-N 3.33Å; M577-D579 VanDerWaalsContact O-N 3.15Å; M577-A580 HydrophobicContact CE-CB 3.83Å; M577-A580 PolarHBondContact O-N 2.89Å; M577-A580 HydrophobicContact SD-CB 4.32Å; M577-I581 PolarHBondContact O-N 3.36Å; M577-I581 VanDerWaalsContact O-N 3.09Å
578	K	97.8	Very high	98	Very high	110 Å²	110	23.9 Å²	23.9	48%	0.478	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.6	-168.9	82.9	-177.8	-178.9	64.8	0	114.4	A574 V575 I581	A574-K578 PolarHBondContact O-N 3.32Å; A574-K578 VanDerWaalsContact O-N 3.13Å; V575-K578 WeakPolarHBondContact O-CB 3.41Å; V575-K578 WeakPolarHBondContact O-CG 3.32Å; V575-K578 PolarHBondContact O-N 2.9Å; K578-I581 VanDerWaalsContact O-CG2 3.3Å; K578-I581 WeakPolarHBondContact O-CG2 3.46Å
579	D	97.9	Very high	98.1	Very high	48 Å²	48	22.1 Å²	22.1	26%	0.257	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-31.7	178.9	-59.4	-41.8	0	0	0	111.1	K316 M577 I581 K582	K316-D579 WeakPolarHBondContact CD-O 3.41Å; K316-D579 WeakPolarHBondContact CE-O 3.46Å; K316-D579 PolarHBondContact NZ-O 2.81Å; M577-D579 VanDerWaalsContact C-N 3.26Å; M577-D579 PolarHBondContact O-N 3.33Å; M577-D579 VanDerWaalsContact O-N 3.15Å; D579-I581 PolarHBondContact O-N 3.46Å; D579-K582 WeakPolarHBondContact O-CB 3.15Å; D579-K582 PolarHBondContact O-N 3.45Å; D579-K582 VanDerWaalsContact O-N 3.09Å; D579-K582 IonicContact OD1-NZ 3.53Å; D579-K582 PolarHBondContact OD1-NZ 3.35Å
580	A	98.4	Very high	98.1	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.3	177.7	0	0	0	0	0	113.3	D407 A410 L535 M577 K582 H597	D407-A580 HydrophobicContact CB-CB 4.22Å; A410-A580 HydrophobicContact CB-CB 3.88Å; L535-A580 VanDerWaalsContact CD1-O 3.25Å; L535-A580 WeakPolarHBondContact CD1-O 3.45Å; M577-A580 HydrophobicContact CE-CB 3.83Å; M577-A580 PolarHBondContact O-N 2.89Å; M577-A580 HydrophobicContact SD-CB 4.32Å; A580-K582 VanDerWaalsContact C-N 3.28Å; A580-H597 PolarHBondContact O-NE2 3.03Å
581	I	98.5	Very high	98.1	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.1	173.1	-163.8	175.6	0	0	0	113.6	L319 L535 T538 L541 M544 M577 K578 D579 H597 L612	L319-I581 HydrophobicContact CD1-CD1 3.88Å; L319-I581 HydrophobicContact CD1-CG1 4.15Å; L319-I581 HydrophobicContact CD1-CG2 4.14Å; L535-I581 HydrophobicContact CD1-CB 4.39Å; L535-I581 HydrophobicContact CD1-CG1 4.49Å; T538-I581 HydrophobicContact CG2-CD1 4.09Å; T538-I581 HydrophobicContact CG2-CG1 4.13Å; L541-I581 HydrophobicContact CB-CD1 4.27Å; L541-I581 HydrophobicContact CD1-CD1 4.19Å; M544-I581 HydrophobicContact CB-CD1 3.9Å; M544-I581 HydrophobicContact CE-CB 4.1Å; M544-I581 HydrophobicContact CE-CD1 3.85Å; M544-I581 HydrophobicContact CE-CG1 4.35Å; M544-I581 HydrophobicContact CG-CD1 4.41Å; M544-I581 HydrophobicContact SD-CB 3.97Å; M544-I581 HydrophobicContact SD-CD1 3.73Å; M544-I581 HydrophobicContact SD-CG1 3.91Å; M577-I581 PolarHBondContact O-N 3.36Å; M577-I581 VanDerWaalsContact O-N 3.09Å; K578-I581 VanDerWaalsContact O-CG2 3.3Å; K578-I581 WeakPolarHBondContact O-CG2 3.46Å; D579-I581 PolarHBondContact O-N 3.46Å; I581-H597 PolarHBondContact O-CE1 3.34Å; I581-L612 HydrophobicContact CD1-CD1 3.94Å; I581-L612 HydrophobicContact CG1-CD1 3.49Å; I581-L612 VanDerWaalsContact CG1-CD1 3.49Å
582	K	98.7	Very high	98.2	Very high	16 Å²	16	20.2 Å²	20.2	7%	0.07	11%	0.114	C	C	.	.	S	Bend	trans	-86.7	123.9	-174.7	-58.5	171.5	-165.2	164	0	110.2	E308 K316 V317 D579 A580 H597	E308-K582 IonicContact OE1-NZ 3.35Å; E308-K582 PolarHBondContact OE1-NZ 3.46Å; E308-K582 WeakPolarHBondContact OE2-CD 3.26Å; E308-K582 IonicContact OE2-NZ 2.67Å; E308-K582 PolarHBondContact OE2-NZ 2.89Å; K316-K582 HydrophobicContact CB-CB 4.06Å; K316-K582 HydrophobicContact CB-CD 4.39Å; K316-K582 HydrophobicContact CD-CB 4.09Å; K316-K582 HydrophobicContact CD-CD 4.38Å; K316-K582 HydrophobicContact CG-CB 4.25Å; K316-K582 PolarHBondContact NZ-O 3.1Å; V317-K582 WeakPolarHBondContact O-CB 3.27Å; D579-K582 WeakPolarHBondContact O-CB 3.15Å; D579-K582 PolarHBondContact O-N 3.45Å; D579-K582 VanDerWaalsContact O-N 3.09Å; D579-K582 IonicContact OD1-NZ 3.53Å; D579-K582 PolarHBondContact OD1-NZ 3.35Å; A580-K582 VanDerWaalsContact C-N 3.28Å; K582-H597 PolarHBondContact O-NE2 3.42Å
583	P	98.6	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.			trans	-60.5	146.6	177.7	-24.3	35.1	0	0	0	113.9	K316 V317 F595 H597 L612 A613 I616	K316-P583 WeakPolarHBondContact CA-O 3.49Å; V317-P583 PolarHBondContact N-O 3.06Å; P583-F595 HydrophobicContact CB-CB 4.47Å; P583-F595 HydrophobicContact CB-CD1 3.74Å; P583-F595 HydrophobicContact CB-CE1 4.08Å; P583-F595 HydrophobicContact CB-CG 4.03Å; P583-H597 HydrophobicContact CB-CB 4.07Å; P583-L612 HydrophobicContact CG-CB 4.4Å; P583-A613 HydrophobicContact CB-CB 4Å; P583-A613 HydrophobicContact CG-CB 3.99Å; P583-I616 HydrophobicContact CG-CD1 4.16Å
584	N	98.6	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.9	179.8	-47.9	-60.2	0	0	0	110.7	A315 K316 L404 T405 D407 F595 V596	A315-N584 CarbonylContact O-C 3.5Å; A315-N584 VanDerWaalsContact O-CA 3.31Å; A315-N584 WeakPolarHBondContact O-CA 3.27Å; K316-N584 VanDerWaalsContact CG-OD1 3.26Å; K316-N584 WeakPolarHBondContact CG-OD1 3.46Å; K316-N584 PolarHBondContact NZ-OD1 3.35Å; L404-N584 HydrophobicContact CD2-CB 4.26Å; T405-N584 HydrophobicContact CG2-CB 4.36Å; T405-N584 VanDerWaalsContact CG2-OD1 3.28Å; T405-N584 WeakPolarHBondContact CG2-OD1 3.4Å; T405-N584 VanDerWaalsContact OG1-CG 3.28Å; T405-N584 PolarHBondContact OG1-ND2 3.44Å; T405-N584 PolarHBondContact OG1-OD1 3.47Å; D407-N584 PolarHBondContact OD2-ND2 2.91Å; N584-F595 CarbonylContact O-C 3.56Å; N584-F595 WeakPolarHBondContact O-CA 3.44Å; N584-V596 VanDerWaalsContact CB-O 3.3Å; N584-V596 WeakPolarHBondContact CB-O 2.93Å; N584-V596 PolarHBondContact N-O 3.42Å; N584-V596 PolarHBondContact ND2-O 3.37Å; N584-V596 PolarHBondContact O-N 3.36Å
585	L	98.8	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.6	172.3	-175.4	65	0	0	0	110.4	I293 L296 A297 L302 K314 A315 V317 F368 P593 V594 F595	I293-L585 HydrophobicContact CD1-CB 4.49Å; I293-L585 HydrophobicContact CD1-CD2 4.08Å; I293-L585 HydrophobicContact CD1-CG 3.89Å; I293-L585 HydrophobicContact CG1-CD2 4.31Å; I293-L585 HydrophobicContact CG1-CG 4.46Å; L296-L585 HydrophobicContact CD2-CD1 4.45Å; L296-L585 HydrophobicContact CD2-CG 4.43Å; A297-L585 HydrophobicContact CB-CD2 4.02Å; L302-L585 HydrophobicContact CD1-CD2 3.75Å; K314-L585 VanDerWaalsContact CA-O 3.28Å; K314-L585 WeakPolarHBondContact CA-O 3.43Å; A315-L585 PolarHBondContact N-O 3.38Å; A315-L585 VanDerWaalsContact N-O 3.13Å; A315-L585 PolarHBondContact O-N 3.49Å; V317-L585 HydrophobicContact CG2-CB 4.17Å; F368-L585 HydrophobicContact CE1-CD1 3.72Å; F368-L585 HydrophobicContact CZ-CD1 3.51Å; L585-P593 HydrophobicContact CD1-CB 4.12Å; L585-V594 WeakPolarHBondContact CA-O 3.39Å; L585-F595 HydrophobicContact CB-CD1 4.39Å; L585-F595 HydrophobicContact CB-CE1 4.08Å; L585-F595 HydrophobicContact CD1-CD1 4.41Å; L585-F595 HydrophobicContact CD1-CE1 4.11Å
586	M	98.4	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	-166.4	170.8	-62.8	-171.2	77.5	0	0	109	L296 K314 V394 F400 L404 V594 V596	L296-M586 WeakPolarHBondContact CD2-O 3.45Å; K314-M586 HydrophobicContact CB-CG 4.07Å; V394-M586 HydrophobicContact CG1-CB 3.98Å; V394-M586 HydrophobicContact CG1-SD 4.35Å; F400-M586 HydrophobicContact CB-CE 4.47Å; F400-M586 HydrophobicContact CD2-SD 4.15Å; L404-M586 HydrophobicContact CD1-CE 4.38Å; L404-M586 HydrophobicContact CD1-SD 3.55Å; L404-M586 VanDerWaalsContact CD1-SD 3.55Å; M586-V594 PolarHBondContact N-O 2.93Å; M586-V594 PolarHBondContact O-N 3.21Å; M586-V596 HydrophobicContact CB-CG2 4.36Å; M586-V596 HydrophobicContact CG-CG2 4.19Å; M586-V596 HydrophobicContact SD-CB 4.48Å; M586-V596 HydrophobicContact SD-CG2 3.77Å
587	Q	98.3	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.3	-179.6	71.1	-165	-75.9	0	0	113.2	K291 L296 V394 I395 T592	K291-Q587 PolarHBondContact O-NE2 2.59Å; L296-Q587 HydrophobicContact CD2-CB 3.73Å; V394-Q587 WeakPolarHBondContact CA-O 3.42Å; V394-Q587 WeakPolarHBondContact CG1-O 3.34Å; I395-Q587 HydrophobicContact CG1-CG 4.05Å; I395-Q587 PolarHBondContact N-O 3.38Å; Q587-T592 CarbonylContact C-O 3.58Å; Q587-T592 VanDerWaalsContact CA-O 3.28Å; Q587-T592 WeakPolarHBondContact CA-O 3.33Å
588	T	98.2	Very high	98.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	171.8	168.1	68	0	0	0	0	111.8	V353 V356 Q357 Q393 E590 G591 T592 V594	V353-T588 HydrophobicContact CG1-CG2 3.68Å; V356-T588 HydrophobicContact CG2-CG2 3.98Å; Q357-T588 HydrophobicContact CG-CG2 4.21Å; Q393-T588 CarbonylContact O-C 3.59Å; Q393-T588 WeakPolarHBondContact O-CA 3.46Å; T588-E590 PolarHBondContact O-N 3.42Å; T588-E590 PolarHBondContact OG1-N 3.21Å; T588-G591 PolarHBondContact O-N 2.8Å; T588-T592 PolarHBondContact N-O 2.79Å; T588-T592 WeakPolarHBondContact OG1-CB 3.45Å; T588-T592 PolarHBondContact OG1-N 3.4Å; T588-T592 VanDerWaalsContact OG1-N 3.13Å; T588-V594 HydrophobicContact CG2-CG2 3.55Å
589	L	97.3	Very high	98	Very high	2 Å²	2	4.4 Å²	4.4	1%	0.01	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37	172.6	-73.8	162	0	0	0	113.5	N270 L272 I284 C288 Y391 Q393 I395 G591	N270-L589 WeakPolarHBondContact CB-O 3.49Å; N270-L589 PolarHBondContact ND2-O 3.27Å; L272-L589 HydrophobicContact CD2-CB 3.69Å; I284-L589 HydrophobicContact CG2-CD1 3.7Å; I284-L589 HydrophobicContact CG2-CD2 4.11Å; C288-L589 HydrophobicContact CB-CD2 3.63Å; C288-L589 PolarHBondContact SG-O 2.95Å; Y391-L589 VanDerWaalsContact C-CD1 3.49Å; Y391-L589 WeakPolarHBondContact O-CD1 3.47Å; Q393-L589 HydrophobicContact CB-CD1 3.89Å; Q393-L589 HydrophobicContact CB-CG 4.23Å; Q393-L589 HydrophobicContact CG-CD1 4.16Å; Q393-L589 PolarHBondContact O-N 2.88Å; I395-L589 HydrophobicContact CD1-CD2 4.23Å; I395-L589 HydrophobicContact CG2-CD2 3.66Å; I395-L589 HydrophobicContact CG2-CG 3.9Å; L589-G591 VanDerWaalsContact C-N 3.29Å; L589-G591 PolarHBondContact O-N 3.34Å
590	E	97.6	Very high	97.8	Very high	11 Å²	11	2.2 Å²	2.2	5%	0.051	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.1	176.3	-73.3	-179.8	144.9	0	0	113.4	Y269 N270 L272 Q357 A361 H362 T588 G754	Y269-E590 CarbonylContact C-O 3.58Å; Y269-E590 VanDerWaalsContact CA-O 3.3Å; Y269-E590 WeakPolarHBondContact CA-O 3.3Å; Y269-E590 WeakPolarHBondContact CB-O 3.45Å; Y269-E590 WeakPolarHBondContact CD1-O 3.35Å; N270-E590 PolarHBondContact N-O 3.04Å; L272-E590 HydrophobicContact CD1-CG 3.71Å; L272-E590 HydrophobicContact CD2-CG 3.77Å; L272-E590 HydrophobicContact CG-CG 3.5Å; L272-E590 VanDerWaalsContact CG-CG 3.5Å; Q357-E590 VanDerWaalsContact CB-OE2 3.28Å; Q357-E590 WeakPolarHBondContact CB-OE2 3.38Å; Q357-E590 HydrophobicContact CG-CB 4.2Å; Q357-E590 PolarHBondContact NE2-OE2 3.22Å; A361-E590 HydrophobicContact CB-CB 3.92Å; A361-E590 HydrophobicContact CB-CG 4.41Å; A361-E590 WeakPolarHBondContact CB-OE2 3.28Å; H362-E590 IonicContact CD2-OE2 3.9Å; H362-E590 IonicContact CE1-OE1 3.49Å; H362-E590 IonicContact NE2-OE1 2.76Å; H362-E590 PolarHBondContact NE2-OE1 2.86Å; H362-E590 IonicContact NE2-OE2 3.54Å; H362-E590 PolarHBondContact NE2-OE2 2.8Å; T588-E590 PolarHBondContact O-N 3.42Å; T588-E590 PolarHBondContact OG1-N 3.21Å; E590-G754 PolarHBondContact OE2-N 3.01Å
591	G	97.1	Very high	97.4	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.			trans	79.9	14.2	176.9	0	0	0	0	0	114.9	L296 T588 L589	L296-G591 WeakPolarHBondContact CD1-O 3.48Å; T588-G591 PolarHBondContact O-N 2.8Å; L589-G591 VanDerWaalsContact C-N 3.29Å; L589-G591 PolarHBondContact O-N 3.34Å
592	T	98.1	Very high	96.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.			trans	-68	136.6	167.9	-53.7	0	0	0	0	110.1	V356 V367 Q587 T588	V356-T592 HydrophobicContact CB-CG2 3.95Å; V356-T592 HydrophobicContact CG2-CG2 4.02Å; V367-T592 HydrophobicContact CG1-CG2 3.7Å; Q587-T592 CarbonylContact C-O 3.58Å; Q587-T592 VanDerWaalsContact CA-O 3.28Å; Q587-T592 WeakPolarHBondContact CA-O 3.33Å; T588-T592 PolarHBondContact N-O 2.79Å; T588-T592 WeakPolarHBondContact OG1-CB 3.45Å; T588-T592 PolarHBondContact OG1-N 3.4Å; T588-T592 VanDerWaalsContact OG1-N 3.13Å
593	P	98.5	Very high	96.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	145.9	-175.3	33.1	-39.7	0	0	0	113.3	W265 L296 V300 V367 F368 A369 L585	W265-P593 HydrophobicContact CH2-CG 4.5Å; W265-P593 HydrophobicContact CZ3-CG 3.9Å; L296-P593 HydrophobicContact CD1-CB 4.23Å; L296-P593 HydrophobicContact CD2-CB 4.17Å; L296-P593 HydrophobicContact CG-CB 4.36Å; V300-P593 HydrophobicContact CG1-CB 4.05Å; V300-P593 HydrophobicContact CG1-CG 3.83Å; V367-P593 WeakPolarHBondContact O-CD 3.43Å; V367-P593 VanDerWaalsContact O-CG 3.26Å; V367-P593 WeakPolarHBondContact O-CG 3.31Å; F368-P593 HydrophobicContact CD1-CB 4.28Å; F368-P593 HydrophobicContact CD1-CG 4.48Å; F368-P593 HydrophobicContact CD2-CB 4.03Å; F368-P593 HydrophobicContact CD2-CG 3.6Å; F368-P593 HydrophobicContact CE1-CB 3.87Å; F368-P593 HydrophobicContact CE1-CG 4.46Å; F368-P593 HydrophobicContact CE2-CB 3.61Å; F368-P593 HydrophobicContact CE2-CG 3.58Å; F368-P593 HydrophobicContact CG-CB 4.36Å; F368-P593 HydrophobicContact CG-CG 4.09Å; F368-P593 HydrophobicContact CZ-CB 3.54Å; F368-P593 HydrophobicContact CZ-CG 4.05Å; A369-P593 PolarHBondContact N-O 3.28Å; A369-P593 VanDerWaalsContact N-O 3.15Å; L585-P593 HydrophobicContact CD1-CB 4.12Å
594	V	98.6	Very high	95.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.6	-177.6	-174.9	0	0	0	0	109.5	A369 V371 V394 L585 M586 T588 V596	A369-V594 HydrophobicContact CB-CB 4.44Å; A369-V594 HydrophobicContact CB-CG1 4.03Å; A369-V594 HydrophobicContact CB-CG2 4.15Å; A369-V594 CarbonylContact O-C 3.51Å; A369-V594 WeakPolarHBondContact O-CA 3.48Å; V371-V594 HydrophobicContact CG2-CG1 3.76Å; V394-V594 HydrophobicContact CG1-CB 4.24Å; V394-V594 HydrophobicContact CG1-CG1 4.15Å; V394-V594 HydrophobicContact CG1-CG2 4.29Å; V394-V594 HydrophobicContact CG2-CG1 3.92Å; V394-V594 HydrophobicContact CG2-CG2 4.16Å; L585-V594 WeakPolarHBondContact CA-O 3.39Å; M586-V594 PolarHBondContact N-O 2.93Å; M586-V594 PolarHBondContact O-N 3.21Å; T588-V594 HydrophobicContact CG2-CG2 3.55Å; V594-V596 HydrophobicContact CG1-CG2 4.07Å
595	F	98.8	Very high	95.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.8	160.7	-77.4	-44.2	0	0	0	110.8	V317 F368 A369 C370 V371 P583 N584 L585 A613 I616 A617 L620	V317-F595 HydrophobicContact CB-CE1 4.14Å; V317-F595 HydrophobicContact CB-CZ 4.32Å; V317-F595 HydrophobicContact CG2-CE1 3.63Å; V317-F595 HydrophobicContact CG2-CZ 4.02Å; F368-F595 HydrophobicContact CD1-CB 4.44Å; F368-F595 AromaticContact CD1-CD2 3.69Å; F368-F595 HydrophobicContact CD1-CD2 3.69Å; F368-F595 HydrophobicContact CD1-CE2 4.08Å; F368-F595 HydrophobicContact CD1-CG 4.05Å; F368-F595 HydrophobicContact CE1-CB 4.34Å; F368-F595 AromaticContact CE1-CD1 3.9Å; F368-F595 HydrophobicContact CE1-CD1 3.9Å; F368-F595 AromaticContact CE1-CD2 3.43Å; F368-F595 HydrophobicContact CE1-CD2 3.43Å; F368-F595 VanDerWaalsContact CE1-CD2 3.43Å; F368-F595 AromaticContact CE1-CE1 3.99Å; F368-F595 HydrophobicContact CE1-CE1 3.99Å; F368-F595 AromaticContact CE1-CE2 3.54Å; F368-F595 HydrophobicContact CE1-CE2 3.54Å; F368-F595 AromaticContact CE1-CG 3.61Å; F368-F595 HydrophobicContact CE1-CG 3.61Å; F368-F595 AromaticContact CE1-CZ 3.82Å; F368-F595 HydrophobicContact CE1-CZ 3.82Å; F368-F595 HydrophobicContact CZ-CD2 4.22Å; F368-F595 HydrophobicContact CZ-CE1 4.26Å; F368-F595 AromaticContact CZ-CE2 3.85Å; F368-F595 HydrophobicContact CZ-CE2 3.85Å; F368-F595 AromaticContact CZ-CZ 3.86Å; F368-F595 HydrophobicContact CZ-CZ 3.86Å; A369-F595 PolarHBondContact O-N 2.93Å; C370-F595 CarbonylContact C-O 3.57Å; C370-F595 WeakPolarHBondContact CA-O 3.38Å; V371-F595 PolarHBondContact N-O 2.94Å; P583-F595 HydrophobicContact CB-CB 4.47Å; P583-F595 HydrophobicContact CB-CD1 3.74Å; P583-F595 HydrophobicContact CB-CE1 4.08Å; P583-F595 HydrophobicContact CB-CG 4.03Å; N584-F595 CarbonylContact O-C 3.56Å; N584-F595 WeakPolarHBondContact O-CA 3.44Å; L585-F595 HydrophobicContact CB-CD1 4.39Å; L585-F595 HydrophobicContact CB-CE1 4.08Å; L585-F595 HydrophobicContact CD1-CD1 4.41Å; L585-F595 HydrophobicContact CD1-CE1 4.11Å; F595-A613 HydrophobicContact CB-CB 3.88Å; F595-A613 HydrophobicContact CD2-CB 4.13Å; F595-A613 WeakPolarHBondContact CD2-O 3.45Å; F595-A613 HydrophobicContact CG-CB 4.21Å; F595-I616 HydrophobicContact CE2-CB 4.21Å; F595-I616 HydrophobicContact CE2-CG2 3.82Å; F595-I616 HydrophobicContact CZ-CG2 3.93Å; F595-A617 HydrophobicContact CD2-CB 4.05Å; F595-A617 HydrophobicContact CE2-CB 4.13Å; F595-L620 HydrophobicContact CE2-CD1 4.47Å; F595-L620 HydrophobicContact CZ-CD1 4.39Å
596	V	98.3	Very high	95.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.1	172.4	-172.3	0	0	0	0	107.3	V371 Q373 V394 F400 L404 N584 M586 V594	V371-V596 HydrophobicContact CG2-CB 4.42Å; V371-V596 HydrophobicContact CG2-CG1 4.46Å; V371-V596 HydrophobicContact CG2-CG2 3.86Å; V371-V596 WeakPolarHBondContact O-CA 3.31Å; Q373-V596 HydrophobicContact CB-CG1 4.05Å; V394-V596 HydrophobicContact CG1-CG2 4.41Å; F400-V596 HydrophobicContact CD2-CG1 4.02Å; F400-V596 HydrophobicContact CD2-CG2 3.87Å; F400-V596 HydrophobicContact CE2-CB 4.2Å; F400-V596 HydrophobicContact CE2-CG1 3.53Å; F400-V596 HydrophobicContact CE2-CG2 3.56Å; F400-V596 HydrophobicContact CZ-CG1 4.19Å; L404-V596 HydrophobicContact CD2-CB 4.21Å; L404-V596 HydrophobicContact CD2-CG1 3.83Å; N584-V596 VanDerWaalsContact CB-O 3.3Å; N584-V596 WeakPolarHBondContact CB-O 2.93Å; N584-V596 PolarHBondContact N-O 3.42Å; N584-V596 PolarHBondContact ND2-O 3.37Å; N584-V596 PolarHBondContact O-N 3.36Å; M586-V596 HydrophobicContact CB-CG2 4.36Å; M586-V596 HydrophobicContact CG-CG2 4.19Å; M586-V596 HydrophobicContact SD-CB 4.48Å; M586-V596 HydrophobicContact SD-CG2 3.77Å; V594-V596 HydrophobicContact CG1-CG2 4.07Å
597	H	98.4	Very high	95.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.			trans	-157.4	130.2	-173.7	-164.2	-128.1	0	0	0	113.9	V371 D407 A580 I581 K582 P583 S609 S610 A613	V371-H597 PolarHBondContact O-N 3.2Å; V371-H597 VanDerWaalsContact O-N 3.12Å; D407-H597 IonicContact OD2-CD2 3.51Å; A580-H597 PolarHBondContact O-NE2 3.03Å; I581-H597 PolarHBondContact O-CE1 3.34Å; K582-H597 PolarHBondContact O-NE2 3.42Å; P583-H597 HydrophobicContact CB-CB 4.07Å; H597-S609 WeakPolarHBondContact O-CA 3.38Å; H597-S609 WeakPolarHBondContact O-CB 3.24Å; H597-S610 WeakPolarHBondContact ND1-CB 3.41Å; H597-S610 PolarHBondContact ND1-OG 3.41Å; H597-S610 PolarHBondContact O-N 2.77Å; H597-A613 HydrophobicContact CB-CB 4.23Å
598	A	96.9	Very high	95.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.			trans	56.5	161	-170	0	0	0	0	0	113.6	R372 Q373 M532 L535 A536	R372-A598 CarbonylContact C-O 3.59Å; R372-A598 WeakPolarHBondContact CA-O 3.25Å; R372-A598 WeakPolarHBondContact CB-O 3.37Å; Q373-A598 PolarHBondContact N-O 2.99Å; M532-A598 HydrophobicContact SD-CB 3.96Å; L535-A598 HydrophobicContact CD2-CB 4.15Å; L535-A598 HydrophobicContact CG-CB 4.12Å; A536-A598 HydrophobicContact CB-CB 3.72Å
599	G	93.8	Very high	95.1	Very high	8 Å²	8	6.2 Å²	6.2	8%	0.082	3%	0.034	C	C	.	.			trans	-161.5	54.1	-178.4	0	0	0	0	0	113.2	V527 M532	V527-G599 WeakPolarHBondContact CB-O 3.38Å; M532-G599 PolarHBondContact SD-N 2.74Å
600	P	94.4	Very high	95.1	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.013	3%	0.034	C	C	.	.			trans	-63	151.9	179.7	29.1	-35.3	0	0	0	111.3	M532 A536 A605 G607 N608	M532-P600 HydrophobicContact CG-CB 3.98Å; A536-P600 HydrophobicContact CB-CG 3.91Å; P600-A605 HydrophobicContact CB-CB 3.9Å; P600-G607 WeakPolarHBondContact O-CA 3.3Å; P600-N608 WeakPolarHBondContact CD-O 3.4Å; P600-N608 WeakPolarHBondContact CG-O 3.42Å
601	F	88.7	Confident	95.2	Very high	49 Å²	49	5.6 Å²	5.6	22%	0.215	3%	0.031	C	C	.	.			trans	-54.5	144.2	168.2	-92.2	18.7	0	0	0	111.7	I525 V527 A528 I604 A605 G607	I525-F601 HydrophobicContact CG2-CE1 3.82Å; I525-F601 HydrophobicContact CG2-CE2 4.14Å; I525-F601 HydrophobicContact CG2-CZ 3.48Å; I525-F601 VanDerWaalsContact CG2-CZ 3.48Å; V527-F601 HydrophobicContact CB-CD1 4.42Å; V527-F601 HydrophobicContact CG2-CD1 3.6Å; V527-F601 HydrophobicContact CG2-CE1 3.35Å; V527-F601 HydrophobicContact CG2-CZ 4.33Å; V527-F601 PolarHBondContact O-N 2.87Å; A528-F601 HydrophobicContact CB-CD2 4.31Å; A528-F601 HydrophobicContact CB-CE2 4.49Å; F601-I604 HydrophobicContact CB-CG1 3.88Å; F601-I604 HydrophobicContact CD2-CD1 4.29Å; F601-I604 HydrophobicContact CD2-CG1 4.18Å; F601-A605 CarbonylContact O-C 3.58Å; F601-A605 VanDerWaalsContact O-CA 3.3Å; F601-A605 WeakPolarHBondContact O-CA 3.41Å; F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.45Å; F601-A605 PolarHBondContact O-N 3.26Å; F601-G607 PolarHBondContact O-N 3.45Å; F601-G607 VanDerWaalsContact O-N 3.15Å
602	A	86.2	Confident	95.3	Very high	5 Å²	5	5.6 Å²	5.6	4%	0.041	3%	0.031	C	C	.	.	S	Bend	trans	-87.9	-8.2	178.2	0	0	0	0	0	113	A605 G607 F633 I637 K641	A602-A605 CarbonylContact C-O 3.52Å; A602-A605 VanDerWaalsContact C-O 3.22Å; A602-G607 VanDerWaalsContact CA-CA 3.49Å; A602-F633 HydrophobicContact CB-CD2 3.34Å; A602-F633 HydrophobicContact CB-CE2 3.45Å; A602-F633 VanDerWaalsContact CB-CE2 3.45Å; A602-F633 HydrophobicContact CB-CG 4.05Å; A602-F633 HydrophobicContact CB-CZ 4.19Å; A602-I637 WeakPolarHBondContact O-CG2 3.46Å; A602-K641 PolarHBondContact O-NZ 2.86Å
603	N	85.1	Confident	95.3	Very high	26 Å²	26	5.6 Å²	5.6	14%	0.139	3%	0.032	C	C	.	.	S	Bend	trans	-92.3	-67.7	-179.8	-10	13.3	0	0	0	109.6	A605 F633 K641 A827 M869	N603-A605 VanDerWaalsContact C-N 3.31Å; N603-F633 HydrophobicContact CB-CE2 4.14Å; N603-F633 VanDerWaalsContact CG-CE2 3.49Å; N603-F633 WeakPolarHBondContact OD1-CE2 3.38Å; N603-F633 WeakPolarHBondContact OD1-CZ 3.5Å; N603-K641 PolarHBondContact O-NZ 3.5Å; N603-A827 WeakPolarHBondContact O-CA 3.46Å; N603-M869 HydrophobicContact CB-CE 4.2Å; N603-M869 HydrophobicContact CB-SD 3.47Å; N603-M869 WeakPolarHBondContact CB-SD 3.27Å; N603-M869 PolarHBondContact ND2-SD 2.9Å
604	I	88.6	Confident	95.3	Very high	18 Å²	18	5.6 Å²	5.6	9%	0.092	3%	0.032	C	C	.	.	S	Bend	trans	-84	-7.5	-177.9	65.2	170.7	0	0	0	113.4	A528 F601 A827 F863 T871	A528-I604 HydrophobicContact CB-CD1 3.69Å; F601-I604 HydrophobicContact CB-CG1 3.88Å; F601-I604 HydrophobicContact CD2-CD1 4.29Å; F601-I604 HydrophobicContact CD2-CG1 4.18Å; I604-A827 HydrophobicContact CG2-CB 4.21Å; I604-F863 HydrophobicContact CB-CD2 4.21Å; I604-F863 HydrophobicContact CB-CE2 4.24Å; I604-T871 HydrophobicContact CD1-CG2 4.21Å
605	A	94.1	Very high	95.3	Very high	8 Å²	8	8.3 Å²	8.3	7%	0.066	4%	0.043	C	C	.	.	S	Bend	trans	-137.1	-171.8	171.2	0	0	0	0	0	109.2	A533 P600 F601 A602 N603 K641 C825 F861	A533-A605 HydrophobicContact CB-CB 4.29Å; P600-A605 HydrophobicContact CB-CB 3.9Å; F601-A605 CarbonylContact O-C 3.58Å; F601-A605 VanDerWaalsContact O-CA 3.3Å; F601-A605 WeakPolarHBondContact O-CA 3.41Å; F601-A605 VanDerWaalsContact O-CB 3.24Å; F601-A605 WeakPolarHBondContact O-CB 3.45Å; F601-A605 PolarHBondContact O-N 3.26Å; A602-A605 CarbonylContact C-O 3.52Å; A602-A605 VanDerWaalsContact C-O 3.22Å; N603-A605 VanDerWaalsContact C-N 3.31Å; A605-K641 WeakPolarHBondContact O-CD 3.46Å; A605-K641 PolarHBondContact O-NZ 3.1Å; A605-C825 VanDerWaalsContact CA-SG 3.54Å; A605-C825 PolarHBondContact O-SG 3.35Å; A605-F861 HydrophobicContact CB-CZ 4.04Å
606	H	96.1	Very high	95.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.			trans	-82.2	-14	-168.8	63.3	-74.7	0	0	0	114.6	A536 L537 N608 K641 I645	A536-H606 VanDerWaalsContact CB-CE1 3.47Å; A536-H606 WeakPolarHBondContact CB-CE1 3.43Å; A536-H606 WeakPolarHBondContact CB-NE2 3.33Å; L537-H606 VanDerWaalsContact CG-CE1 3.47Å; L537-H606 WeakPolarHBondContact CG-CE1 3.42Å; H606-N608 PolarHBondContact O-N 2.77Å; H606-N608 PolarHBondContact O-ND2 2.91Å; H606-K641 HydrophobicContact CB-CB 4.01Å; H606-I645 HydrophobicContact CB-CB 4.45Å; H606-I645 HydrophobicContact CB-CD1 4.19Å; H606-I645 HydrophobicContact CB-CG2 4.4Å
607	G	95.4	Very high	95.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.			trans	70.2	28.5	170.4	0	0	0	0	0	116.7	R372 P600 F601 A602 G632	R372-G607 WeakPolarHBondContact CD-O 3.4Å; R372-G607 PolarHBondContact NE-O 3.35Å; P600-G607 WeakPolarHBondContact O-CA 3.3Å; F601-G607 PolarHBondContact O-N 3.45Å; F601-G607 VanDerWaalsContact O-N 3.15Å; A602-G607 VanDerWaalsContact CA-CA 3.49Å; G607-G632 PolarHBondContact O-N 3.01Å
608	N	97.1	Very high	95.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-124	158.9	-179.1	-60.8	-80.6	0	0	0	111.6	P600 H606 E630 A631 F642 K646	P600-N608 WeakPolarHBondContact CD-O 3.4Å; P600-N608 WeakPolarHBondContact CG-O 3.42Å; H606-N608 PolarHBondContact O-N 2.77Å; H606-N608 PolarHBondContact O-ND2 2.91Å; N608-E630 PolarHBondContact OD1-O 3.45Å; N608-A631 WeakPolarHBondContact OD1-CA 3.18Å; N608-A631 VanDerWaalsContact OD1-CB 3.28Å; N608-A631 WeakPolarHBondContact OD1-CB 3.42Å; N608-F642 WeakPolarHBondContact OD1-CD2 3.17Å; N608-K646 HydrophobicContact CB-CD 3.53Å
609	S	97.7	Very high	95.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.007	5%	0.053	C	C	.	.			trans	-66.2	170.1	168.1	56.7	0	0	0	0	111.3	C370 V371 H597 T629 K646	C370-S609 PolarHBondContact O-OG 3.3Å; V371-S609 WeakPolarHBondContact O-CB 3.42Å; H597-S609 WeakPolarHBondContact O-CA 3.38Å; H597-S609 WeakPolarHBondContact O-CB 3.24Å; S609-T629 PolarHBondContact OG-OG1 3.16Å; S609-K646 WeakPolarHBondContact O-CE 3.36Å; S609-K646 PolarHBondContact O-NZ 2.89Å
610	S	98.6	Very high	95.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.			trans	-67.2	148.6	-172	75.3	0	0	0	0	115.4	A536 H597 L612 A613 D614	A536-S610 CarbonylContact O-C 3.59Å; A536-S610 VanDerWaalsContact O-CA 3.27Å; A536-S610 WeakPolarHBondContact O-CA 3.21Å; H597-S610 WeakPolarHBondContact ND1-CB 3.41Å; H597-S610 PolarHBondContact ND1-OG 3.41Å; H597-S610 PolarHBondContact O-N 2.77Å; S610-L612 VanDerWaalsContact C-N 3.31Å; S610-L612 PolarHBondContact O-N 3.26Å; S610-A613 PolarHBondContact O-N 3.15Å; S610-A613 WeakPolarHBondContact OG-CB 3.4Å; S610-A613 PolarHBondContact OG-N 3.34Å; S610-D614 PolarHBondContact O-N 3.01Å
611	I	98.8	Very high	95.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-39.3	170	-71.8	176.6	0	0	0	112	A536 L537 D614 K615 K646	A536-I611 PolarHBondContact O-N 3.05Å; L537-I611 HydrophobicContact CB-CD1 4.46Å; L537-I611 HydrophobicContact CD2-CD1 4Å; L537-I611 WeakPolarHBondContact O-CD1 3.23Å; I611-D614 PolarHBondContact O-N 2.79Å; I611-K615 HydrophobicContact CG2-CD 3.89Å; I611-K615 HydrophobicContact CG2-CG 4.18Å; I611-K615 WeakPolarHBondContact O-CG 3.33Å; I611-K615 PolarHBondContact O-N 3.38Å; I611-K646 HydrophobicContact CD1-CG 4.25Å; I611-K646 HydrophobicContact CG1-CD 4.45Å; I611-K646 HydrophobicContact CG1-CG 3.82Å
612	L	98.6	Very high	95.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.2	-45.1	179.4	-79.9	169.9	0	0	0	112.4	L319 I322 T538 S539 I581 P583 S610 D614 K615 I616	L319-L612 HydrophobicContact CD1-CD1 4.2Å; L319-L612 HydrophobicContact CD2-CD1 4.08Å; L319-L612 HydrophobicContact CD2-CD2 4.12Å; I322-L612 HydrophobicContact CD1-CD2 3.5Å; T538-L612 HydrophobicContact CG2-CD1 3.83Å; S539-L612 VanDerWaalsContact O-CD2 3.3Å; S539-L612 WeakPolarHBondContact O-CD2 3.22Å; I581-L612 HydrophobicContact CD1-CD1 3.94Å; I581-L612 HydrophobicContact CG1-CD1 3.49Å; I581-L612 VanDerWaalsContact CG1-CD1 3.49Å; P583-L612 HydrophobicContact CG-CB 4.4Å; S610-L612 VanDerWaalsContact C-N 3.31Å; S610-L612 PolarHBondContact O-N 3.26Å; L612-D614 VanDerWaalsContact C-N 3.33Å; L612-D614 PolarHBondContact O-N 3.11Å; L612-K615 PolarHBondContact O-N 3.49Å; L612-I616 WeakPolarHBondContact O-CB 3.49Å; L612-I616 VanDerWaalsContact O-CG1 3.24Å; L612-I616 WeakPolarHBondContact O-CG1 3.32Å; L612-I616 PolarHBondContact O-N 3.12Å
613	A	98.7	Very high	96.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176.1	0	0	0	0	0	111.5	P583 F595 H597 S610 A617	P583-A613 HydrophobicContact CB-CB 4Å; P583-A613 HydrophobicContact CG-CB 3.99Å; F595-A613 HydrophobicContact CB-CB 3.88Å; F595-A613 HydrophobicContact CD2-CB 4.13Å; F595-A613 WeakPolarHBondContact CD2-O 3.45Å; F595-A613 HydrophobicContact CG-CB 4.21Å; H597-A613 HydrophobicContact CB-CB 4.23Å; S610-A613 PolarHBondContact O-N 3.15Å; S610-A613 WeakPolarHBondContact OG-CB 3.4Å; S610-A613 PolarHBondContact OG-N 3.34Å; A613-A617 VanDerWaalsContact O-CB 3.23Å; A613-A617 WeakPolarHBondContact O-CB 3.25Å; A613-A617 PolarHBondContact O-N 3.34Å
614	D	98.7	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.6	-45.5	179.4	-65.5	-22.7	0	0	0	112.4	Y333 C370 S610 I611 L612 I616 A617 L618 K646 L652	Y333-D614 HydrophobicContact CE2-CB 4.12Å; Y333-D614 VanDerWaalsContact OH-CG 3.31Å; Y333-D614 PolarHBondContact OH-OD2 3.39Å; C370-D614 WeakPolarHBondContact CB-OD1 3.13Å; C370-D614 PolarHBondContact SG-OD1 3.42Å; S610-D614 PolarHBondContact O-N 3.01Å; I611-D614 PolarHBondContact O-N 2.79Å; L612-D614 VanDerWaalsContact C-N 3.33Å; L612-D614 PolarHBondContact O-N 3.11Å; D614-I616 PolarHBondContact O-N 3.17Å; D614-A617 PolarHBondContact O-N 3.19Å; D614-L618 VanDerWaalsContact O-CB 3.31Å; D614-L618 WeakPolarHBondContact O-CB 2.98Å; D614-L618 WeakPolarHBondContact O-CG 3.48Å; D614-L618 PolarHBondContact O-N 2.98Å; D614-K646 WeakPolarHBondContact OD2-CE 3.27Å; D614-K646 IonicContact OD2-NZ 2.7Å; D614-K646 PolarHBondContact OD2-NZ 3.09Å; D614-L652 HydrophobicContact CB-CD1 3.98Å
615	K	98.5	Very high	97	Very high	56 Å²	56	15.8 Å²	15.8	24%	0.243	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-44.6	178.5	-75.9	-173.6	174.3	-172.2	0	111.7	I611 L612 L618 K619 S650 L652	I611-K615 HydrophobicContact CG2-CD 3.89Å; I611-K615 HydrophobicContact CG2-CG 4.18Å; I611-K615 WeakPolarHBondContact O-CG 3.33Å; I611-K615 PolarHBondContact O-N 3.38Å; L612-K615 PolarHBondContact O-N 3.49Å; K615-L618 PolarHBondContact O-N 3.37Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.04Å; K615-K619 VanDerWaalsContact O-N 3.17Å; K615-S650 WeakPolarHBondContact CE-O 3.43Å; K615-S650 PolarHBondContact NZ-O 2.93Å; K615-L652 HydrophobicContact CG-CD1 4.15Å; K615-L652 HydrophobicContact CG-CD2 4.4Å
616	I	98.4	Very high	97.2	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-47.4	178	-67.6	169.6	0	0	0	110.2	V317 L319 I321 I322 P583 F595 L612 D614 L618 K619 L620	V317-I616 HydrophobicContact CG1-CG2 4.42Å; L319-I616 HydrophobicContact CD2-CD1 4.12Å; I321-I616 HydrophobicContact CD1-CG2 4.06Å; I321-I616 HydrophobicContact CG2-CB 4.46Å; I321-I616 HydrophobicContact CG2-CD1 3.93Å; I321-I616 HydrophobicContact CG2-CG1 3.84Å; I321-I616 HydrophobicContact CG2-CG2 3.81Å; I322-I616 HydrophobicContact CD1-CD1 4.18Å; I322-I616 HydrophobicContact CD1-CG1 3.97Å; I322-I616 HydrophobicContact CG1-CD1 4.18Å; I322-I616 HydrophobicContact CG1-CG1 3.65Å; P583-I616 HydrophobicContact CG-CD1 4.16Å; F595-I616 HydrophobicContact CE2-CB 4.21Å; F595-I616 HydrophobicContact CE2-CG2 3.82Å; F595-I616 HydrophobicContact CZ-CG2 3.93Å; L612-I616 WeakPolarHBondContact O-CB 3.49Å; L612-I616 VanDerWaalsContact O-CG1 3.24Å; L612-I616 WeakPolarHBondContact O-CG1 3.32Å; L612-I616 PolarHBondContact O-N 3.12Å; D614-I616 PolarHBondContact O-N 3.17Å; I616-L618 PolarHBondContact O-N 3.47Å; I616-K619 PolarHBondContact O-N 3.43Å; I616-L620 HydrophobicContact CG2-CD1 3.8Å; I616-L620 HydrophobicContact CG2-CG 4.38Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 WeakPolarHBondContact O-CG 3.29Å; I616-L620 PolarHBondContact O-N 2.97Å
617	A	98.6	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-43.4	178.2	0	0	0	0	0	112.1	F368 F595 A613 D614 K619 L620 V621 V627	F368-A617 HydrophobicContact CB-CB 3.74Å; F368-A617 HydrophobicContact CD1-CB 4.21Å; F368-A617 HydrophobicContact CD2-CB 4.39Å; F368-A617 HydrophobicContact CG-CB 3.88Å; F595-A617 HydrophobicContact CD2-CB 4.05Å; F595-A617 HydrophobicContact CE2-CB 4.13Å; A613-A617 VanDerWaalsContact O-CB 3.23Å; A613-A617 WeakPolarHBondContact O-CB 3.25Å; A613-A617 PolarHBondContact O-N 3.34Å; D614-A617 PolarHBondContact O-N 3.19Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.26Å; A617-L620 PolarHBondContact O-N 3.44Å; A617-V621 WeakPolarHBondContact O-CG1 3.43Å; A617-V621 WeakPolarHBondContact O-CG2 3.49Å; A617-V621 PolarHBondContact O-N 3.11Å; A617-V627 VanDerWaalsContact C-CG2 3.47Å; A617-V627 HydrophobicContact CB-CB 4.5Å; A617-V627 HydrophobicContact CB-CG1 4.03Å; A617-V627 HydrophobicContact CB-CG2 3.6Å
618	L	98.4	Very high	97.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-63.2	-38.4	-179.3	-78.2	167.6	0	0	0	111.8	D330 G331 Y333 D614 K615 I616 G622 V627 L652	D330-L618 HydrophobicContact CB-CB 4.12Å; G331-L618 PolarHBondContact N-O 3.45Å; G331-L618 WeakPolarHBondContact O-CD2 3.37Å; Y333-L618 HydrophobicContact CD2-CD1 4.29Å; Y333-L618 HydrophobicContact CD2-CD2 4.31Å; Y333-L618 HydrophobicContact CG-CD1 4.26Å; Y333-L618 HydrophobicContact CG-CD2 4.37Å; D614-L618 VanDerWaalsContact O-CB 3.31Å; D614-L618 WeakPolarHBondContact O-CB 2.98Å; D614-L618 WeakPolarHBondContact O-CG 3.48Å; D614-L618 PolarHBondContact O-N 2.98Å; K615-L618 PolarHBondContact O-N 3.37Å; I616-L618 PolarHBondContact O-N 3.47Å; L618-G622 PolarHBondContact O-N 3.46Å; L618-V627 HydrophobicContact CB-CG2 4.31Å; L618-V627 HydrophobicContact CD2-CB 3.8Å; L618-V627 HydrophobicContact CD2-CG2 3.66Å; L618-V627 HydrophobicContact CG-CB 4.1Å; L618-V627 HydrophobicContact CG-CG2 3.76Å; L618-L652 HydrophobicContact CD1-CD1 3.75Å; L618-L652 HydrophobicContact CD1-CD2 3.58Å; L618-L652 HydrophobicContact CD1-CG 4.24Å
619	K	96.5	Very high	97.6	Very high	44 Å²	44	15.7 Å²	15.7	19%	0.191	8%	0.077	C	C	.	.	H	α-helix	trans	-67.4	-44.9	172.9	-69.5	-56.7	-171.5	-158.8	0	112.2	L325 Q328 D330 K615 I616 A617 G622	L325-K619 HydrophobicContact CB-CB 3.81Å; L325-K619 HydrophobicContact CB-CG 4.21Å; L325-K619 HydrophobicContact CD1-CB 3.83Å; L325-K619 HydrophobicContact CG-CB 4.49Å; L325-K619 WeakPolarHBondContact O-CD 3.47Å; Q328-K619 HydrophobicContact CB-CD 4.32Å; Q328-K619 VanDerWaalsContact CG-O 3.25Å; Q328-K619 WeakPolarHBondContact CG-O 3.25Å; Q328-K619 WeakPolarHBondContact O-CD 2.95Å; Q328-K619 WeakPolarHBondContact O-CE 3.5Å; Q328-K619 PolarHBondContact O-NZ 2.92Å; D330-K619 WeakPolarHBondContact OD1-CD 3.32Å; D330-K619 WeakPolarHBondContact OD1-CE 3.34Å; D330-K619 IonicContact OD1-NZ 2.89Å; D330-K619 PolarHBondContact OD1-NZ 3.18Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.04Å; K615-K619 VanDerWaalsContact O-N 3.17Å; I616-K619 PolarHBondContact O-N 3.43Å; A617-K619 VanDerWaalsContact C-N 3.31Å; A617-K619 PolarHBondContact O-N 3.26Å; K619-G622 PolarHBondContact O-N 3.3Å
620	L	95.9	Very high	97.5	Very high	16 Å²	16	15.9 Å²	15.9	8%	0.084	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-47.3	-178.3	-82.2	171.5	0	0	0	112.1	W265 L302 I321 L325 F368 F595 I616 A617 G622	W265-L620 HydrophobicContact CZ2-CB 4.02Å; W265-L620 VanDerWaalsContact CZ2-O 3.28Å; W265-L620 WeakPolarHBondContact CZ2-O 3.28Å; L302-L620 HydrophobicContact CD2-CD1 4.13Å; L302-L620 HydrophobicContact CD2-CD2 4.23Å; I321-L620 HydrophobicContact CD1-CD1 4.13Å; I321-L620 HydrophobicContact CD1-CD2 3.76Å; I321-L620 HydrophobicContact CD1-CG 3.98Å; L325-L620 HydrophobicContact CD1-CD2 3.9Å; L325-L620 HydrophobicContact CD1-CG 4.07Å; F368-L620 HydrophobicContact CE2-CD1 4.14Å; F368-L620 HydrophobicContact CZ-CD1 4.43Å; F595-L620 HydrophobicContact CE2-CD1 4.47Å; F595-L620 HydrophobicContact CZ-CD1 4.39Å; I616-L620 HydrophobicContact CG2-CD1 3.8Å; I616-L620 HydrophobicContact CG2-CG 4.38Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 WeakPolarHBondContact O-CG 3.29Å; I616-L620 PolarHBondContact O-N 2.97Å; A617-L620 PolarHBondContact O-N 3.44Å; L620-G622 VanDerWaalsContact C-N 3.27Å; L620-G622 PolarHBondContact O-N 3.2Å
621	V	96.9	Very high	97.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-70	-26.7	-176.2	-59.9	0	0	0	0	112.4	W265 N366 F368 A617 V627	W265-V621 HydrophobicContact CH2-CB 4.44Å; W265-V621 HydrophobicContact CH2-CG1 3.62Å; W265-V621 HydrophobicContact CZ2-CG1 4.13Å; W265-V621 HydrophobicContact CZ3-CG1 4.35Å; N366-V621 HydrophobicContact CB-CB 4.02Å; N366-V621 HydrophobicContact CB-CG1 4.41Å; N366-V621 WeakPolarHBondContact CB-O 3.5Å; N366-V621 PolarHBondContact ND2-O 3.04Å; F368-V621 HydrophobicContact CB-CG1 4.28Å; F368-V621 HydrophobicContact CD2-CG1 4.25Å; A617-V621 WeakPolarHBondContact O-CG1 3.43Å; A617-V621 WeakPolarHBondContact O-CG2 3.49Å; A617-V621 PolarHBondContact O-N 3.11Å; V621-V627 HydrophobicContact CG1-CG2 4.29Å; V621-V627 HydrophobicContact CG2-CG2 3.89Å
622	G	94.5	Very high	97	Very high	3 Å²	3	15.9 Å²	15.9	3%	0.031	8%	0.078	C	C	.	.			trans	73.6	176.7	-178.4	0	0	0	0	0	113.8	G331 L618 K619 L620 E624 G625	G331-G622 WeakPolarHBondContact CA-O 3.17Å; G331-G622 PolarHBondContact N-O 3.33Å; L618-G622 PolarHBondContact O-N 3.46Å; K619-G622 PolarHBondContact O-N 3.3Å; L620-G622 VanDerWaalsContact C-N 3.27Å; L620-G622 PolarHBondContact O-N 3.2Å; G622-E624 VanDerWaalsContact C-N 3.28Å; G622-E624 PolarHBondContact O-N 3.27Å; G622-G625 WeakPolarHBondContact O-CA 3.28Å; G622-G625 PolarHBondContact O-N 3.1Å
623	P	94.1	Very high	96.8	Very high	48 Å²	48	17.9 Å²	17.9	31%	0.312	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.5	-168.6	21.1	-32.9	0	0	0	115.2	Q328 P329	Q328-P623 VanDerWaalsContact NE2-CD 3.32Å; P329-P623 HydrophobicContact CB-CB 4.19Å; P329-P623 HydrophobicContact CB-CG 4.32Å
624	E	93.4	Very high	96.6	Very high	150 Å²	150	17.8 Å²	17.8	70%	0.701	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.4	178.3	-56.3	-53.5	126.5	0	0	113	G622	G622-E624 VanDerWaalsContact C-N 3.28Å; G622-E624 PolarHBondContact O-N 3.27Å
625	G	97.3	Very high	96.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.			trans	-96.6	172	-178.8	0	0	0	0	0	113.3	K332 N366 G622	K332-G625 PolarHBondContact N-O 2.71Å; N366-G625 CarbonylContact O-C 3.35Å; N366-G625 WeakPolarHBondContact O-CA 3.44Å; G622-G625 WeakPolarHBondContact O-CA 3.28Å; G622-G625 PolarHBondContact O-N 3.1Å
626	F	98.8	Very high	96.4	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.026	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.7	-174.3	-70.8	-99.4	0	0	0	112.2	K332 V334 L359 L365 N366 V367 F368 V764 Q765	K332-F626 HydrophobicContact CB-CD1 3.64Å; K332-F626 HydrophobicContact CB-CE1 3.67Å; K332-F626 HydrophobicContact CB-CG 4.2Å; K332-F626 HydrophobicContact CB-CZ 4.24Å; K332-F626 HydrophobicContact CG-CD1 4.37Å; K332-F626 HydrophobicContact CG-CE1 4Å; K332-F626 HydrophobicContact CG-CZ 4.08Å; K332-F626 CarbonylContact O-C 3.56Å; K332-F626 WeakPolarHBondContact O-CA 3.48Å; V334-F626 HydrophobicContact CG2-CD1 3.97Å; L359-F626 HydrophobicContact CD1-CB 4.07Å; L359-F626 HydrophobicContact CD1-CG 4.24Å; L365-F626 HydrophobicContact CD1-CD2 4.16Å; L365-F626 HydrophobicContact CD1-CE2 3.91Å; N366-F626 PolarHBondContact O-N 2.91Å; V367-F626 CarbonylContact C-O 3.6Å; V367-F626 WeakPolarHBondContact CA-O 3.28Å; V367-F626 HydrophobicContact CB-CB 4.41Å; V367-F626 HydrophobicContact CG2-CB 3.99Å; V367-F626 WeakPolarHBondContact CG2-O 3.3Å; F368-F626 PolarHBondContact N-O 3.48Å; F626-V764 HydrophobicContact CD1-CG1 4.43Å; F626-V764 HydrophobicContact CE1-CG1 4.31Å; F626-Q765 HydrophobicContact CZ-CB 4.31Å; F626-Q765 HydrophobicContact CZ-CG 4.21Å
627	V	98.8	Very high	96.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.7	164.4	176.3	0	0	0	0	108.1	K332 Y333 V334 F368 A617 L618 V621	K332-V627 PolarHBondContact O-N 2.96Å; Y333-V627 HydrophobicContact CD2-CB 4.22Å; Y333-V627 HydrophobicContact CD2-CG1 4.16Å; Y333-V627 HydrophobicContact CE2-CG1 4.24Å; V334-V627 PolarHBondContact N-O 3.03Å; F368-V627 HydrophobicContact CB-CG2 4.36Å; F368-V627 WeakPolarHBondContact O-CA 3.24Å; A617-V627 VanDerWaalsContact C-CG2 3.47Å; A617-V627 HydrophobicContact CB-CB 4.5Å; A617-V627 HydrophobicContact CB-CG1 4.03Å; A617-V627 HydrophobicContact CB-CG2 3.6Å; L618-V627 HydrophobicContact CB-CG2 4.31Å; L618-V627 HydrophobicContact CD2-CB 3.8Å; L618-V627 HydrophobicContact CD2-CG2 3.66Å; L618-V627 HydrophobicContact CG-CB 4.1Å; L618-V627 HydrophobicContact CG-CG2 3.76Å; V621-V627 HydrophobicContact CG1-CG2 4.29Å; V621-V627 HydrophobicContact CG2-CG2 3.89Å
628	V	98.8	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.1	177.1	-173.2	0	0	0	0	108.3	V334 V336 T352 L355 V356 L359 V367 F368 A369 C370	V334-V628 HydrophobicContact CB-CG2 4.28Å; V334-V628 WeakPolarHBondContact O-CA 3.43Å; V336-V628 HydrophobicContact CG2-CG1 3.47Å; V336-V628 VanDerWaalsContact CG2-CG1 3.47Å; T352-V628 HydrophobicContact CG2-CG1 3.96Å; L355-V628 HydrophobicContact CD2-CG1 3.92Å; L355-V628 HydrophobicContact CD2-CG2 4.1Å; L355-V628 HydrophobicContact CG-CG2 4.24Å; V356-V628 HydrophobicContact CG1-CB 3.46Å; V356-V628 VanDerWaalsContact CG1-CB 3.46Å; V356-V628 HydrophobicContact CG1-CG1 4.24Å; V356-V628 HydrophobicContact CG1-CG2 3.52Å; L359-V628 HydrophobicContact CD1-CG2 4.01Å; V367-V628 HydrophobicContact CG2-CG2 4.25Å; F368-V628 PolarHBondContact O-N 2.52Å; A369-V628 CarbonylContact C-O 3.47Å; A369-V628 VanDerWaalsContact CA-O 3.26Å; A369-V628 WeakPolarHBondContact CA-O 3.45Å; C370-V628 PolarHBondContact N-O 3.47Å
629	T	98.6	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	173.5	174.8	-161.5	0	0	0	0	109.6	Y333 V334 V335 V336 C370 S609 F642	Y333-T629 HydrophobicContact CD2-CG2 4.44Å; Y333-T629 HydrophobicContact CE2-CG2 3.55Å; V334-T629 PolarHBondContact O-N 3.15Å; V335-T629 HydrophobicContact CB-CG2 4.19Å; V335-T629 HydrophobicContact CG2-CG2 4.24Å; V336-T629 PolarHBondContact N-O 3.34Å; C370-T629 PolarHBondContact O-OG1 3.16Å; S609-T629 PolarHBondContact OG-OG1 3.16Å; T629-F642 HydrophobicContact CG2-CE2 3.64Å; T629-F642 HydrophobicContact CG2-CZ 3.85Å
630	E	97.1	Very high	96.3	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.023	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.5	176.7	58.3	163.3	-125.1	0	0	112.7	V336 S349 T352 R372 N608	V336-E630 HydrophobicContact CB-CB 4.34Å; V336-E630 VanDerWaalsContact O-CA 3.29Å; V336-E630 WeakPolarHBondContact O-CA 3.34Å; S349-E630 VanDerWaalsContact CA-OE2 3.24Å; S349-E630 WeakPolarHBondContact CA-OE2 3.4Å; S349-E630 VanDerWaalsContact CB-OE2 3.27Å; S349-E630 WeakPolarHBondContact CB-OE2 3.32Å; S349-E630 PolarHBondContact OG-OE1 3.19Å; S349-E630 PolarHBondContact OG-OE2 3.43Å; T352-E630 HydrophobicContact CG2-CB 4.48Å; T352-E630 PolarHBondContact OG1-OE2 2.89Å; R372-E630 IonicContact CZ-OE1 3.18Å; R372-E630 IonicContact NE-OE1 3.24Å; R372-E630 IonicContact NH2-OE1 2.69Å; R372-E630 PolarHBondContact NH2-OE1 3.42Å; N608-E630 PolarHBondContact OD1-O 3.45Å
631	A	94.8	Very high	96.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-115.9	133.3	174.9	0	0	0	0	0	111.5	V335 V336 K348 N608 G638 F642	V335-A631 HydrophobicContact CG2-CB 4.2Å; V336-A631 PolarHBondContact O-N 3.12Å; K348-A631 WeakPolarHBondContact CD-O 3.5Å; K348-A631 WeakPolarHBondContact CE-O 3.49Å; K348-A631 PolarHBondContact NZ-O 3.3Å; N608-A631 WeakPolarHBondContact OD1-CA 3.18Å; N608-A631 VanDerWaalsContact OD1-CB 3.28Å; N608-A631 WeakPolarHBondContact OD1-CB 3.42Å; A631-G638 WeakPolarHBondContact CB-O 3.47Å; A631-F642 HydrophobicContact CB-CB 4.19Å
632	G	91.8	Very high	96.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-62.4	149.3	-178.2	0	0	0	0	0	113.7	G607 G638	G607-G632 PolarHBondContact O-N 3.01Å; G632-G638 WeakPolarHBondContact O-CA 3.48Å; G632-G638 PolarHBondContact O-N 3.45Å
633	F	93.6	Very high	96.7	Very high	42 Å²	42	12.1 Å²	12.1	18%	0.184	6%	0.06	C	C	.	.	S	Bend	trans	57.6	-152.7	-171.7	-53.6	-44.5	0	0	0	114.1	P341 K348 A602 N603 I637 H830	P341-F633 HydrophobicContact CG-CB 4.17Å; P341-F633 HydrophobicContact CG-CD1 4.49Å; K348-F633 PolarHBondContact NZ-O 2.99Å; A602-F633 HydrophobicContact CB-CD2 3.34Å; A602-F633 HydrophobicContact CB-CE2 3.45Å; A602-F633 VanDerWaalsContact CB-CE2 3.45Å; A602-F633 HydrophobicContact CB-CG 4.05Å; A602-F633 HydrophobicContact CB-CZ 4.19Å; N603-F633 HydrophobicContact CB-CE2 4.14Å; N603-F633 VanDerWaalsContact CG-CE2 3.49Å; N603-F633 WeakPolarHBondContact OD1-CE2 3.38Å; N603-F633 WeakPolarHBondContact OD1-CZ 3.5Å; F633-I637 HydrophobicContact CB-CB 4.33Å; F633-I637 HydrophobicContact CD2-CB 4.36Å; F633-I637 HydrophobicContact CD2-CD1 4.18Å; F633-I637 HydrophobicContact CD2-CG2 3.93Å; F633-H830 HydrophobicContact CB-CB 4Å; F633-H830 HydrophobicContact CD1-CB 3.49Å; F633-H830 VanDerWaalsContact CD1-CB 3.49Å; F633-H830 AromaticContact CD1-CD2 3.74Å; F633-H830 AromaticContact CD1-CG 3.57Å; F633-H830 HydrophobicContact CD2-CB 3.66Å; F633-H830 HydrophobicContact CE1-CB 3.75Å; F633-H830 AromaticContact CE1-CD2 3.71Å; F633-H830 AromaticContact CE1-CG 3.44Å; F633-H830 VanDerWaalsContact CE1-CG 3.44Å; F633-H830 AromaticContact CE1-ND1 3.71Å; F633-H830 HydrophobicContact CE2-CB 3.86Å; F633-H830 HydrophobicContact CG-CB 3.46Å; F633-H830 VanDerWaalsContact CG-CB 3.46Å; F633-H830 HydrophobicContact CZ-CB 3.93Å; F633-H830 AromaticContact CZ-CG 3.81Å; F633-H830 AromaticContact CZ-ND1 3.76Å
634	G	94.4	Very high	96.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.			trans	-87.4	177.9	178.9	0	0	0	0	0	113.1	G338 I339 D636 I637 G638	G338-G634 CarbonylContact O-C 3.5Å; G338-G634 VanDerWaalsContact O-CA 3.25Å; G338-G634 WeakPolarHBondContact O-CA 3.39Å; I339-G634 WeakPolarHBondContact O-CA 3.45Å; G634-D636 PolarHBondContact O-N 3.04Å; G634-I637 PolarHBondContact O-N 3.13Å; G634-I637 VanDerWaalsContact O-N 3.15Å; G634-G638 PolarHBondContact O-N 2.84Å
635	A	97.3	Very high	97.1	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.008	1%	0.012	C	C	.	.	I	π-helix	trans	-61.2	-29.6	-178.1	0	0	0	0	0	113.3	T337 G338 I637 M639 E640 L659 Q703	T337-A635 HydrophobicContact CG2-CB 3.8Å; T337-A635 WeakPolarHBondContact OG1-CA 3.46Å; T337-A635 PolarHBondContact OG1-N 3.17Å; G338-A635 PolarHBondContact O-N 2.89Å; A635-I637 VanDerWaalsContact C-N 3.26Å; A635-I637 PolarHBondContact O-N 2.76Å; A635-M639 HydrophobicContact CB-CB 4.17Å; A635-M639 HydrophobicContact CB-CE 3.46Å; A635-M639 VanDerWaalsContact CB-CE 3.46Å; A635-M639 HydrophobicContact CB-SD 4.03Å; A635-M639 WeakPolarHBondContact O-CB 3.44Å; A635-E640 PolarHBondContact O-N 3.03Å; A635-L659 HydrophobicContact CB-CD1 4.13Å; A635-Q703 HydrophobicContact CB-CB 4.12Å; A635-Q703 HydrophobicContact CB-CG 4.47Å
636	D	96.6	Very high	97.2	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.005	1%	0.012	C	C	.	.	I	π-helix	trans	-67.3	-23.3	178	57.9	-61.6	0	0	0	113.6	G634 Q703 I795 Y796 L833	G634-D636 PolarHBondContact O-N 3.04Å; D636-Q703 VanDerWaalsContact N-OE1 3.1Å; D636-Q703 PolarHBondContact OD1-NE2 3.09Å; D636-I795 HydrophobicContact CB-CG2 3.9Å; D636-Y796 HydrophobicContact CB-CD1 4.23Å; D636-Y796 HydrophobicContact CB-CE1 4.18Å; D636-Y796 WeakPolarHBondContact O-CE1 3.39Å; D636-L833 HydrophobicContact CB-CD2 3.55Å
637	I	96.4	Very high	97.2	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	1%	0.011	C	C	.	.	I	π-helix	trans	-115.8	-60.8	179.6	-59.5	177.8	0	0	0	111.1	A602 F633 G634 A635 K641 K828 H830	A602-I637 WeakPolarHBondContact O-CG2 3.46Å; F633-I637 HydrophobicContact CB-CB 4.33Å; F633-I637 HydrophobicContact CD2-CB 4.36Å; F633-I637 HydrophobicContact CD2-CD1 4.18Å; F633-I637 HydrophobicContact CD2-CG2 3.93Å; G634-I637 PolarHBondContact O-N 3.13Å; G634-I637 VanDerWaalsContact O-N 3.15Å; A635-I637 VanDerWaalsContact C-N 3.26Å; A635-I637 PolarHBondContact O-N 2.76Å; I637-K641 HydrophobicContact CG2-CD 4.18Å; I637-K641 WeakPolarHBondContact O-CB 3.44Å; I637-K641 WeakPolarHBondContact O-CD 3.42Å; I637-K641 WeakPolarHBondContact O-CG 3.42Å; I637-K641 PolarHBondContact O-N 2.7Å; I637-K641 VanDerWaalsContact O-N 3.17Å; I637-K828 HydrophobicContact CD1-CG 3.96Å; I637-K828 HydrophobicContact CG1-CG 4.36Å; I637-H830 HydrophobicContact CD1-CB 3.97Å
638	G	96.5	Very high	97.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.02	C	C	.	.	I	π-helix	trans	-66.6	-52.2	-173.1	0	0	0	0	0	112.5	A631 G632 G634 K641 F642	A631-G638 WeakPolarHBondContact CB-O 3.47Å; G632-G638 WeakPolarHBondContact O-CA 3.48Å; G632-G638 PolarHBondContact O-N 3.45Å; G634-G638 PolarHBondContact O-N 2.84Å; G638-K641 PolarHBondContact O-N 3.07Å; G638-F642 VanDerWaalsContact O-CB 3.24Å; G638-F642 WeakPolarHBondContact O-CB 3.21Å; G638-F642 PolarHBondContact O-N 2.64Å
639	M	97.9	Very high	97.1	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	3%	0.033	C	C	.	.	I	π-helix	trans	-68.9	-40.7	-176.5	179	-171.5	72.5	0	0	111.3	T337 A635 K641 F642 F643 V657 N706 A707	T337-M639 HydrophobicContact CG2-CB 4.23Å; T337-M639 HydrophobicContact CG2-SD 3.94Å; A635-M639 HydrophobicContact CB-CB 4.17Å; A635-M639 HydrophobicContact CB-CE 3.46Å; A635-M639 VanDerWaalsContact CB-CE 3.46Å; A635-M639 HydrophobicContact CB-SD 4.03Å; A635-M639 WeakPolarHBondContact O-CB 3.44Å; M639-K641 VanDerWaalsContact C-N 3.32Å; M639-K641 PolarHBondContact O-N 3.09Å; M639-F642 WeakPolarHBondContact O-CB 3.29Å; M639-F642 PolarHBondContact O-N 2.95Å; M639-F643 HydrophobicContact CE-CE2 4.27Å; M639-F643 HydrophobicContact CG-CD2 3.83Å; M639-F643 HydrophobicContact CG-CE1 4.35Å; M639-F643 HydrophobicContact CG-CE2 3.29Å; M639-F643 HydrophobicContact CG-CZ 3.59Å; M639-F643 WeakPolarHBondContact O-CD2 3.29Å; M639-F643 WeakPolarHBondContact O-CG 3.16Å; M639-F643 PolarHBondContact O-N 3.08Å; M639-F643 HydrophobicContact SD-CE2 3.72Å; M639-F643 HydrophobicContact SD-CZ 4.04Å; M639-V657 HydrophobicContact SD-CG1 3.73Å; M639-V657 HydrophobicContact SD-CG2 3.98Å; M639-N706 HydrophobicContact CE-CB 4.26Å; M639-A707 VanDerWaalsContact CE-CA 3.48Å; M639-A707 HydrophobicContact CE-CB 3.68Å; M639-A707 HydrophobicContact SD-CB 3.8Å
640	E	98.4	Very high	97.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-52.6	-50.7	172.6	-173.3	-75.2	135.4	0	0	111.2	A635 F643 N644 F710 I791 I795	A635-E640 PolarHBondContact O-N 3.03Å; E640-F643 PolarHBondContact O-N 2.88Å; E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 PolarHBondContact O-N 3.41Å; E640-N644 PolarHBondContact O-ND2 3.11Å; E640-N644 PolarHBondContact OE1-ND2 2.9Å; E640-F710 HydrophobicContact CG-CZ 4.48Å; E640-I791 HydrophobicContact CG-CG2 4.35Å; E640-I795 HydrophobicContact CG-CG1 4.08Å; E640-I795 HydrophobicContact CG-CG2 4.48Å
641	K	98.6	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71	-35.1	178.8	-65.8	174.9	-170.6	-176.2	0	112.8	A602 N603 A605 H606 I637 G638 M639 F643 I645 K646 C825 M826	A602-K641 PolarHBondContact O-NZ 2.86Å; N603-K641 PolarHBondContact O-NZ 3.5Å; A605-K641 WeakPolarHBondContact O-CD 3.46Å; A605-K641 PolarHBondContact O-NZ 3.1Å; H606-K641 HydrophobicContact CB-CB 4.01Å; I637-K641 HydrophobicContact CG2-CD 4.18Å; I637-K641 WeakPolarHBondContact O-CB 3.44Å; I637-K641 WeakPolarHBondContact O-CD 3.42Å; I637-K641 WeakPolarHBondContact O-CG 3.42Å; I637-K641 PolarHBondContact O-N 2.7Å; I637-K641 VanDerWaalsContact O-N 3.17Å; G638-K641 PolarHBondContact O-N 3.07Å; M639-K641 VanDerWaalsContact C-N 3.32Å; M639-K641 PolarHBondContact O-N 3.09Å; K641-F643 VanDerWaalsContact C-N 3.28Å; K641-F643 PolarHBondContact O-N 2.92Å; K641-I645 HydrophobicContact CB-CD1 4.18Å; K641-I645 HydrophobicContact CG-CD1 4.21Å; K641-I645 WeakPolarHBondContact O-CA 3.33Å; K641-I645 WeakPolarHBondContact O-CB 3.42Å; K641-I645 PolarHBondContact O-N 3.39Å; K641-K646 PolarHBondContact O-N 3.38Å; K641-C825 PolarHBondContact NZ-SG 3.24Å; K641-C825 VanDerWaalsContact NZ-SG 3.43Å; K641-M826 VanDerWaalsContact CE-O 3.29Å; K641-M826 WeakPolarHBondContact CE-O 3.33Å; K641-M826 PolarHBondContact NZ-O 2.93Å
642	F	98.6	Very high	97.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-57.1	-44.4	173.5	174.5	-98.9	0	0	0	110.7	Y333 V335 N608 T629 A631 G638 M639 K646 C647 P654	Y333-F642 HydrophobicContact CD1-CZ 4.32Å; Y333-F642 HydrophobicContact CE1-CE1 4.37Å; Y333-F642 HydrophobicContact CE1-CE2 4.13Å; Y333-F642 AromaticContact CE1-CZ 3.43Å; Y333-F642 HydrophobicContact CE1-CZ 3.43Å; Y333-F642 VanDerWaalsContact CE1-CZ 3.43Å; Y333-F642 HydrophobicContact CE2-CZ 4.45Å; Y333-F642 AromaticContact CZ-CE2 3.83Å; Y333-F642 AromaticContact CZ-CZ 3.52Å; Y333-F642 WeakPolarHBondContact OH-CE2 3.45Å; Y333-F642 WeakPolarHBondContact OH-CZ 3.46Å; V335-F642 HydrophobicContact CB-CD1 4.07Å; V335-F642 HydrophobicContact CB-CE1 3.62Å; V335-F642 HydrophobicContact CB-CZ 3.86Å; V335-F642 HydrophobicContact CG1-CD1 4.11Å; V335-F642 HydrophobicContact CG1-CE1 3.8Å; V335-F642 HydrophobicContact CG2-CD1 3.83Å; V335-F642 HydrophobicContact CG2-CD2 4.26Å; V335-F642 HydrophobicContact CG2-CE1 3.85Å; V335-F642 HydrophobicContact CG2-CE2 4.26Å; V335-F642 HydrophobicContact CG2-CG 4.05Å; V335-F642 HydrophobicContact CG2-CZ 4.05Å; N608-F642 WeakPolarHBondContact OD1-CD2 3.17Å; T629-F642 HydrophobicContact CG2-CE2 3.64Å; T629-F642 HydrophobicContact CG2-CZ 3.85Å; A631-F642 HydrophobicContact CB-CB 4.19Å; G638-F642 VanDerWaalsContact O-CB 3.24Å; G638-F642 WeakPolarHBondContact O-CB 3.21Å; G638-F642 PolarHBondContact O-N 2.64Å; M639-F642 WeakPolarHBondContact O-CB 3.29Å; M639-F642 PolarHBondContact O-N 2.95Å; F642-K646 HydrophobicContact CD2-CB 4.39Å; F642-K646 HydrophobicContact CD2-CD 3.86Å; F642-K646 HydrophobicContact CD2-CG 4.43Å; F642-K646 HydrophobicContact CE2-CD 4.02Å; F642-K646 CarbonylContact O-C 3.22Å; F642-K646 WeakPolarHBondContact O-CB 3.18Å; F642-K646 PolarHBondContact O-N 2.94Å; F642-C647 WeakPolarHBondContact CE1-SG 3.27Å; F642-C647 PolarHBondContact O-N 3.17Å; F642-C647 PolarHBondContact O-SG 3.02Å; F642-P654 HydrophobicContact CE1-CB 4.09Å; F642-P654 HydrophobicContact CE1-CG 4.04Å
643	F	98.5	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-76.4	-54	177.5	-61.1	-33.2	0	0	0	112.9	V335 M639 E640 K641 I645 C647 R648 P654 V657 F710 V712 F774 F776	V335-F643 HydrophobicContact CG1-CE1 4.04Å; V335-F643 HydrophobicContact CG1-CZ 4.2Å; M639-F643 HydrophobicContact CE-CE2 4.27Å; M639-F643 HydrophobicContact CG-CD2 3.83Å; M639-F643 HydrophobicContact CG-CE1 4.35Å; M639-F643 HydrophobicContact CG-CE2 3.29Å; M639-F643 HydrophobicContact CG-CZ 3.59Å; M639-F643 WeakPolarHBondContact O-CD2 3.29Å; M639-F643 WeakPolarHBondContact O-CG 3.16Å; M639-F643 PolarHBondContact O-N 3.08Å; M639-F643 HydrophobicContact SD-CE2 3.72Å; M639-F643 HydrophobicContact SD-CZ 4.04Å; E640-F643 PolarHBondContact O-N 2.88Å; K641-F643 VanDerWaalsContact C-N 3.28Å; K641-F643 PolarHBondContact O-N 2.92Å; F643-I645 VanDerWaalsContact C-N 3.33Å; F643-I645 PolarHBondContact O-N 3.42Å; F643-C647 WeakPolarHBondContact O-CB 3.49Å; F643-R648 PolarHBondContact O-N 3.48Å; F643-P654 HydrophobicContact CD1-CG 3.65Å; F643-P654 HydrophobicContact CE1-CB 4.01Å; F643-P654 HydrophobicContact CE1-CG 3.24Å; F643-P654 HydrophobicContact CZ-CG 4.23Å; F643-V657 HydrophobicContact CE2-CG2 4.45Å; F643-V657 HydrophobicContact CZ-CG2 3.68Å; F643-F710 HydrophobicContact CB-CD1 3.55Å; F643-F710 HydrophobicContact CB-CE1 3.53Å; F643-F710 HydrophobicContact CB-CG 4.27Å; F643-F710 HydrophobicContact CB-CZ 4.23Å; F643-F710 HydrophobicContact CD2-CB 3.73Å; F643-F710 AromaticContact CD2-CD1 3.4Å; F643-F710 HydrophobicContact CD2-CD1 3.4Å; F643-F710 AromaticContact CD2-CD2 3.35Å; F643-F710 HydrophobicContact CD2-CD2 3.35Å; F643-F710 AromaticContact CD2-CE1 3.75Å; F643-F710 HydrophobicContact CD2-CE1 3.75Å; F643-F710 AromaticContact CD2-CE2 3.71Å; F643-F710 HydrophobicContact CD2-CE2 3.71Å; F643-F710 AromaticContact CD2-CG 3.19Å; F643-F710 HydrophobicContact CD2-CG 3.19Å; F643-F710 AromaticContact CD2-CZ 3.89Å; F643-F710 HydrophobicContact CD2-CZ 3.89Å; F643-F710 HydrophobicContact CE2-CB 3.78Å; F643-F710 HydrophobicContact CE2-CD1 4.3Å; F643-F710 AromaticContact CE2-CD2 3.65Å; F643-F710 HydrophobicContact CE2-CD2 3.65Å; F643-F710 HydrophobicContact CE2-CE2 4.3Å; F643-F710 AromaticContact CE2-CG 3.65Å; F643-F710 HydrophobicContact CE2-CG 3.65Å; F643-F710 HydrophobicContact CG-CB 4.44Å; F643-F710 AromaticContact CG-CD1 3.8Å; F643-F710 HydrophobicContact CG-CD1 3.8Å; F643-F710 HydrophobicContact CG-CD2 4.49Å; F643-F710 HydrophobicContact CG-CE1 4.12Å; F643-F710 HydrophobicContact CG-CG 4.01Å; F643-V712 HydrophobicContact CZ-CG2 4.26Å; F643-F774 HydrophobicContact CB-CE2 4.14Å; F643-F774 HydrophobicContact CB-CZ 4.28Å; F643-F774 AromaticContact CD1-CE2 3.78Å; F643-F774 HydrophobicContact CD1-CE2 3.78Å; F643-F774 HydrophobicContact CD1-CZ 4.37Å; F643-F774 HydrophobicContact CE1-CE2 4.4Å; F643-F774 AromaticContact CG-CE2 3.97Å; F643-F774 HydrophobicContact CG-CE2 3.97Å; F643-F776 WeakPolarHBondContact O-CD1 3.33Å; F643-F776 VanDerWaalsContact O-CE1 3.27Å; F643-F776 WeakPolarHBondContact O-CE1 3.31Å
644	N	98.5	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-76	-18.3	-171.5	-75.2	-51.2	0	0	0	114.3	E640 R648 F710 L777 Y778	E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 PolarHBondContact O-N 3.41Å; E640-N644 PolarHBondContact O-ND2 3.11Å; E640-N644 PolarHBondContact OE1-ND2 2.9Å; N644-R648 WeakPolarHBondContact O-CB 3.39Å; N644-R648 PolarHBondContact O-NE 3.12Å; N644-F710 WeakPolarHBondContact ND2-CE1 3.37Å; N644-L777 WeakPolarHBondContact ND2-CB 3.48Å; N644-L777 PolarHBondContact OD1-N 2.77Å; N644-Y778 HydrophobicContact CB-CE1 4.2Å
645	I	98.7	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-115.6	-64.7	179.8	-51.3	178.1	0	0	0	110.7	L537 H606 K641 F643 R648 Y649 P823 C825 F861	L537-I645 HydrophobicContact CD1-CG2 3.89Å; L537-I645 HydrophobicContact CD2-CG2 4.14Å; H606-I645 HydrophobicContact CB-CB 4.45Å; H606-I645 HydrophobicContact CB-CD1 4.19Å; H606-I645 HydrophobicContact CB-CG2 4.4Å; K641-I645 HydrophobicContact CB-CD1 4.18Å; K641-I645 HydrophobicContact CG-CD1 4.21Å; K641-I645 WeakPolarHBondContact O-CA 3.33Å; K641-I645 WeakPolarHBondContact O-CB 3.42Å; K641-I645 PolarHBondContact O-N 3.39Å; F643-I645 VanDerWaalsContact C-N 3.33Å; F643-I645 PolarHBondContact O-N 3.42Å; I645-R648 PolarHBondContact O-N 2.98Å; I645-Y649 HydrophobicContact CG2-CD2 3.83Å; I645-Y649 HydrophobicContact CG2-CE2 3.9Å; I645-Y649 VanDerWaalsContact O-CD2 3.23Å; I645-Y649 WeakPolarHBondContact O-CD2 3.3Å; I645-Y649 PolarHBondContact O-N 2.94Å; I645-P823 HydrophobicContact CG1-CB 4.01Å; I645-C825 HydrophobicContact CD1-CB 3.71Å; I645-F861 HydrophobicContact CD1-CB 4.4Å; I645-F861 HydrophobicContact CD1-CD1 4.47Å; I645-F861 HydrophobicContact CD1-CG 4.44Å; I645-F861 HydrophobicContact CG2-CD1 4.18Å
646	K	98.6	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-68.8	-47.3	-170.9	179.5	172.5	167.5	-177	0	112.8	L537 N608 S609 I611 D614 K641 F642 R648 Y649 S650	L537-K646 HydrophobicContact CD2-CB 4.23Å; N608-K646 HydrophobicContact CB-CD 3.53Å; S609-K646 WeakPolarHBondContact O-CE 3.36Å; S609-K646 PolarHBondContact O-NZ 2.89Å; I611-K646 HydrophobicContact CD1-CG 4.25Å; I611-K646 HydrophobicContact CG1-CD 4.45Å; I611-K646 HydrophobicContact CG1-CG 3.82Å; D614-K646 WeakPolarHBondContact OD2-CE 3.27Å; D614-K646 IonicContact OD2-NZ 2.7Å; D614-K646 PolarHBondContact OD2-NZ 3.09Å; K641-K646 PolarHBondContact O-N 3.38Å; F642-K646 HydrophobicContact CD2-CB 4.39Å; F642-K646 HydrophobicContact CD2-CD 3.86Å; F642-K646 HydrophobicContact CD2-CG 4.43Å; F642-K646 HydrophobicContact CE2-CD 4.02Å; F642-K646 CarbonylContact O-C 3.22Å; F642-K646 WeakPolarHBondContact O-CB 3.18Å; F642-K646 PolarHBondContact O-N 2.94Å; K646-R648 VanDerWaalsContact C-N 3.31Å; K646-R648 PolarHBondContact O-N 3.2Å; K646-Y649 PolarHBondContact O-N 2.9Å; K646-S650 VanDerWaalsContact O-CB 3.23Å; K646-S650 WeakPolarHBondContact O-CB 3.47Å; K646-S650 PolarHBondContact O-N 3.4Å; K646-S650 PolarHBondContact O-OG 3.29Å
647	C	98.6	Very high	98	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.101	C	C	.	.	I	π-helix	trans	-64.3	-39.3	175.8	-65.6	0	0	0	0	110.8	F642 F643 Y649 S650 G651 L652 F774 F776	F642-C647 WeakPolarHBondContact CE1-SG 3.27Å; F642-C647 PolarHBondContact O-N 3.17Å; F642-C647 PolarHBondContact O-SG 3.02Å; F643-C647 WeakPolarHBondContact O-CB 3.49Å; C647-Y649 PolarHBondContact O-N 3.09Å; C647-S650 WeakPolarHBondContact CA-OG 3.39Å; C647-S650 PolarHBondContact O-N 3.35Å; C647-S650 PolarHBondContact O-OG 3.2Å; C647-G651 WeakPolarHBondContact O-CA 3.36Å; C647-G651 PolarHBondContact O-N 3.27Å; C647-L652 VanDerWaalsContact CB-O 3.31Å; C647-L652 WeakPolarHBondContact CB-O 3.37Å; C647-F774 HydrophobicContact CB-CE1 4.4Å; C647-F774 HydrophobicContact CB-CZ 3.94Å; C647-F776 HydrophobicContact CB-CE1 4.41Å
648	R	97.9	Very high	98.1	Very high	50 Å²	50	20.5 Å²	20.5	19%	0.189	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-47.5	175.8	-167.2	-177.6	-65.4	-99.2	10.6	112.7	F643 N644 I645 K646 F776 Y778	F643-R648 PolarHBondContact O-N 3.48Å; N644-R648 WeakPolarHBondContact O-CB 3.39Å; N644-R648 PolarHBondContact O-NE 3.12Å; I645-R648 PolarHBondContact O-N 2.98Å; K646-R648 VanDerWaalsContact C-N 3.31Å; K646-R648 PolarHBondContact O-N 3.2Å; R648-F776 HydrophobicContact CB-CD1 4.44Å; R648-F776 HydrophobicContact CB-CE1 3.76Å; R648-F776 HydrophobicContact CB-CZ 3.84Å; R648-F776 HydrophobicContact CG-CE1 4.3Å; R648-F776 HydrophobicContact CG-CE2 4.27Å; R648-F776 HydrophobicContact CG-CZ 4.01Å; R648-F776 VanDerWaalsContact NH2-CB 3.25Å; R648-Y778 PolarHBondContact NH2-O 3.36Å
649	Y	98.4	Very high	98.2	Very high	69 Å²	69	20.6 Å²	20.6	27%	0.271	10%	0.102	S	C	.	.	H	α-helix	trans	-75.5	-35	179.1	-78.3	-55.8	0	0	0	114	L537 I645 K646 C647 P823 G860	L537-Y649 HydrophobicContact CD1-CD2 4.25Å; L537-Y649 HydrophobicContact CD2-CD2 4.35Å; I645-Y649 HydrophobicContact CG2-CD2 3.83Å; I645-Y649 HydrophobicContact CG2-CE2 3.9Å; I645-Y649 VanDerWaalsContact O-CD2 3.23Å; I645-Y649 WeakPolarHBondContact O-CD2 3.3Å; I645-Y649 PolarHBondContact O-N 2.94Å; K646-Y649 PolarHBondContact O-N 2.9Å; C647-Y649 PolarHBondContact O-N 3.09Å; Y649-P823 HydrophobicContact CE2-CG 4.11Å; Y649-P823 WeakPolarHBondContact OH-CD 3.42Å; Y649-G860 WeakPolarHBondContact CE2-O 3.35Å; Y649-G860 WeakPolarHBondContact OH-CA 3.5Å; Y649-G860 PolarHBondContact OH-O 3.42Å
650	S	97.9	Very high	98.2	Very high	9 Å²	9	20.6 Å²	20.6	6%	0.063	10%	0.101	C	C	.	.	H	α-helix	trans	-77.9	-28.1	-179.1	60.1	0	0	0	0	113.1	K615 K646 C647 L652	K615-S650 WeakPolarHBondContact CE-O 3.43Å; K615-S650 PolarHBondContact NZ-O 2.93Å; K646-S650 VanDerWaalsContact O-CB 3.23Å; K646-S650 WeakPolarHBondContact O-CB 3.47Å; K646-S650 PolarHBondContact O-N 3.4Å; K646-S650 PolarHBondContact O-OG 3.29Å; C647-S650 WeakPolarHBondContact CA-OG 3.39Å; C647-S650 PolarHBondContact O-N 3.35Å; C647-S650 PolarHBondContact O-OG 3.2Å; S650-L652 WeakPolarHBondContact OG-CB 3.45Å; S650-L652 PolarHBondContact OG-N 3.48Å; S650-L652 VanDerWaalsContact OG-N 3.1Å
651	G	97.7	Very high	98.2	Very high	58 Å²	58	20.6 Å²	20.6	60%	0.598	10%	0.101	S	C	*	.			trans	77.2	-0.7	-165.6	0	0	0	0	0	113.7	C647	C647-G651 WeakPolarHBondContact O-CA 3.36Å; C647-G651 PolarHBondContact O-N 3.27Å
652	L	97.5	Very high	98.2	Very high	13 Å²	13	20.6 Å²	20.6	7%	0.068	10%	0.101	C	C	.	.			trans	-73.5	145.5	-177.9	-63.2	176.7	0	0	0	111.1	Y333 D614 K615 L618 C647 S650	Y333-L652 HydrophobicContact CD1-CB 4.04Å; Y333-L652 HydrophobicContact CE1-CB 3.84Å; Y333-L652 HydrophobicContact CE1-CD1 4Å; D614-L652 HydrophobicContact CB-CD1 3.98Å; K615-L652 HydrophobicContact CG-CD1 4.15Å; K615-L652 HydrophobicContact CG-CD2 4.4Å; L618-L652 HydrophobicContact CD1-CD1 3.75Å; L618-L652 HydrophobicContact CD1-CD2 3.58Å; L618-L652 HydrophobicContact CD1-CG 4.24Å; C647-L652 VanDerWaalsContact CB-O 3.31Å; C647-L652 WeakPolarHBondContact CB-O 3.37Å; S650-L652 WeakPolarHBondContact OG-CB 3.45Å; S650-L652 PolarHBondContact OG-N 3.48Å; S650-L652 VanDerWaalsContact OG-N 3.1Å
653	R	97.1	Very high	98.2	Very high	172 Å²	172	20.6 Å²	20.6	65%	0.649	10%	0.101	S	C	*	.			trans	-119.2	119.4	179.2	-63.3	-174.5	179.6	-159.9	-1.2	110.1	H655 F774	R653-H655 PolarHBondContact O-ND1 2.95Å; R653-F774 HydrophobicContact CB-CD1 4.41Å; R653-F774 HydrophobicContact CG-CD1 3.95Å; R653-F774 HydrophobicContact CG-CE1 4.49Å
654	P	96.4	Very high	98	Very high	2 Å²	2	22 Å²	22	1%	0.013	11%	0.107	C	C	.	.			trans	-73.1	141.2	177.7	23.3	-21.1	0	0	0	110.4	Y333 V335 F642 F643 V712 F774	Y333-P654 HydrophobicContact CD1-CB 4.38Å; Y333-P654 CarbonylContact O-C 3.56Å; Y333-P654 WeakPolarHBondContact O-CA 3.49Å; V335-P654 HydrophobicContact CG1-CB 4.47Å; F642-P654 HydrophobicContact CE1-CB 4.09Å; F642-P654 HydrophobicContact CE1-CG 4.04Å; F643-P654 HydrophobicContact CD1-CG 3.65Å; F643-P654 HydrophobicContact CE1-CB 4.01Å; F643-P654 HydrophobicContact CE1-CG 3.24Å; F643-P654 HydrophobicContact CZ-CG 4.23Å; P654-V712 HydrophobicContact CG-CG2 4.22Å; P654-F774 HydrophobicContact CG-CD2 4.13Å; P654-F774 HydrophobicContact CG-CE2 3.99Å
655	H	97.8	Very high	97.9	Very high	55 Å²	55	22 Å²	22	26%	0.255	11%	0.107	S	C	.	.	S	Bend	trans	-95.6	-34.8	-179.8	-64	67.5	0	0	0	111.3	K332 Y333 R653 P713	K332-H655 VanDerWaalsContact CD-CD2 3.45Å; K332-H655 WeakPolarHBondContact CD-CD2 3.13Å; Y333-H655 PolarHBondContact N-ND1 2.84Å; Y333-H655 PolarHBondContact O-N 2.86Å; R653-H655 PolarHBondContact O-ND1 2.95Å; H655-P713 WeakPolarHBondContact O-CD 3.45Å
656	V	98.5	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.6	-176.9	-174.7	0	0	0	0	110.3	V334 V335 V658 V715 V764 A767	V334-V656 WeakPolarHBondContact CA-O 3.17Å; V334-V656 HydrophobicContact CG1-CB 4.23Å; V334-V656 HydrophobicContact CG2-CB 4.24Å; V335-V656 PolarHBondContact N-O 3.12Å; V656-V658 HydrophobicContact CG1-CG2 4.46Å; V656-V715 HydrophobicContact CG1-CG2 4.02Å; V656-V764 HydrophobicContact CG1-CG1 4.44Å; V656-V764 HydrophobicContact CG1-CG2 4.41Å; V656-V764 HydrophobicContact CG2-CG1 4.43Å; V656-A767 HydrophobicContact CG1-CB 4Å; V656-A767 HydrophobicContact CG2-CB 3.8Å
657	V	98.7	Very high	97.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.9	163.3	176	0	0	0	0	108.8	V335 T337 M639 F643 A707 V712 P713 V714 V715	V335-V657 HydrophobicContact CG1-CB 4.48Å; V335-V657 HydrophobicContact CG1-CG2 3.89Å; V335-V657 CarbonylContact O-C 3.59Å; V335-V657 WeakPolarHBondContact O-CA 3.36Å; T337-V657 HydrophobicContact CG2-CG1 3.84Å; M639-V657 HydrophobicContact SD-CG1 3.73Å; M639-V657 HydrophobicContact SD-CG2 3.98Å; F643-V657 HydrophobicContact CE2-CG2 4.45Å; F643-V657 HydrophobicContact CZ-CG2 3.68Å; V657-A707 HydrophobicContact CG1-CB 4.39Å; V657-A707 HydrophobicContact CG2-CB 4.36Å; V657-V712 HydrophobicContact CG2-CB 4.13Å; V657-V712 HydrophobicContact CG2-CG1 3.91Å; V657-P713 PolarHBondContact N-O 2.89Å; V657-V714 HydrophobicContact CB-CG2 4.3Å; V657-V714 HydrophobicContact CG1-CG1 4.45Å; V657-V714 CarbonylContact O-C 3.55Å; V657-V714 WeakPolarHBondContact O-CA 3.21Å; V657-V715 PolarHBondContact O-N 3.49Å
658	V	98.8	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.9	166.3	178.8	0	0	0	0	108.3	V334 V335 V336 T337 T351 L355 V656 V715 A717 L760 V764	V334-V658 HydrophobicContact CG1-CG2 3.79Å; V335-V658 PolarHBondContact O-N 3.1Å; V336-V658 WeakPolarHBondContact CA-O 3.43Å; V336-V658 HydrophobicContact CB-CB 4.48Å; V336-V658 HydrophobicContact CG1-CB 4.28Å; V336-V658 HydrophobicContact CG1-CG1 4.24Å; V336-V658 HydrophobicContact CG2-CB 4.18Å; T337-V658 PolarHBondContact N-O 3.36Å; T351-V658 HydrophobicContact CG2-CG1 4.43Å; L355-V658 HydrophobicContact CD2-CG2 3.99Å; V656-V658 HydrophobicContact CG1-CG2 4.46Å; V658-V715 CarbonylContact C-O 3.43Å; V658-V715 VanDerWaalsContact CA-O 3.27Å; V658-V715 WeakPolarHBondContact CA-O 3.29Å; V658-A717 HydrophobicContact CG1-CB 3.89Å; V658-L760 HydrophobicContact CG1-CD1 4.31Å; V658-L760 HydrophobicContact CG1-CD2 4.37Å; V658-V764 HydrophobicContact CG2-CG2 3.62Å
659	L	98.8	Very high	97.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.1	-180	-178.9	71.5	0	0	0	109.9	T337 G338 A635 M700 Q703 I704 V714 V715 V716 A717	T337-L659 HydrophobicContact CG2-CD1 3.78Å; G338-L659 VanDerWaalsContact C-CD1 3.43Å; G338-L659 WeakPolarHBondContact O-CD1 3.22Å; A635-L659 HydrophobicContact CB-CD1 4.13Å; L659-M700 HydrophobicContact CD2-CG 4.18Å; L659-Q703 HydrophobicContact CD1-CB 3.97Å; L659-Q703 HydrophobicContact CD2-CB 3.95Å; L659-I704 HydrophobicContact CD2-CD1 4.47Å; L659-I704 HydrophobicContact CD2-CG1 3.57Å; L659-V714 HydrophobicContact CB-CG1 3.97Å; L659-V715 PolarHBondContact N-O 2.89Å; L659-V716 HydrophobicContact CB-CG2 4.34Å; L659-V716 HydrophobicContact CD2-CG2 4.31Å; L659-V716 CarbonylContact O-C 2.97Å; L659-V716 VanDerWaalsContact O-CA 3.32Å; L659-V716 WeakPolarHBondContact O-CA 3.13Å; L659-A717 PolarHBondContact O-N 3Å
660	V	98.6	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.9	-177.5	-177.5	0	0	0	0	110.9	V336 T337 G338 I339 E346 K348 T351 A717 N719	V336-V660 HydrophobicContact CG1-CG2 3.66Å; T337-V660 WeakPolarHBondContact O-CB 3.39Å; T337-V660 VanDerWaalsContact O-CG2 3.27Å; T337-V660 WeakPolarHBondContact O-CG2 3.27Å; T337-V660 PolarHBondContact O-N 3.36Å; G338-V660 WeakPolarHBondContact CA-O 3.4Å; I339-V660 PolarHBondContact N-O 3.13Å; E346-V660 HydrophobicContact CB-CG1 4.21Å; E346-V660 VanDerWaalsContact O-CG1 3.22Å; E346-V660 WeakPolarHBondContact O-CG1 3.38Å; K348-V660 HydrophobicContact CG-CG2 4.48Å; T351-V660 HydrophobicContact CG2-CG2 3.93Å; V660-A717 WeakPolarHBondContact CA-O 3.47Å; V660-A717 HydrophobicContact CG2-CB 4.44Å; V660-N719 VanDerWaalsContact CG1-ND2 3.31Å; V660-N719 WeakPolarHBondContact CG1-ND2 3.19Å
661	A	98.3	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.1	174.2	0	0	0	0	0	111.4	I339 L666 M700 A717 V718 N719	I339-A661 HydrophobicContact CD1-CB 4.26Å; I339-A661 HydrophobicContact CG2-CB 3.89Å; A661-L666 HydrophobicContact CB-CD1 4.18Å; A661-M700 HydrophobicContact CB-SD 4.32Å; A661-A717 PolarHBondContact N-O 3.16Å; A661-V718 WeakPolarHBondContact O-CA 3.46Å; A661-N719 PolarHBondContact O-N 3.14Å
662	T	98.2	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.			trans	-135.4	150	174.8	68.7	0	0	0	0	109.4	E346 R664 A665 L666 N719 F721	E346-T662 HydrophobicContact CB-CG2 4.47Å; E346-T662 WeakPolarHBondContact O-CG2 3.19Å; T662-R664 VanDerWaalsContact C-N 3.29Å; T662-R664 PolarHBondContact O-N 2.98Å; T662-A665 PolarHBondContact O-N 3.48Å; T662-A665 WeakPolarHBondContact OG1-CB 3.3Å; T662-A665 PolarHBondContact OG1-N 3.07Å; T662-L666 WeakPolarHBondContact O-CB 3.31Å; T662-L666 VanDerWaalsContact O-CG 3.27Å; T662-L666 WeakPolarHBondContact O-CG 3.49Å; T662-L666 PolarHBondContact O-N 3.07Å; T662-N719 HydrophobicContact CG2-CB 3.99Å; T662-F721 HydrophobicContact CG2-CD2 4.41Å; T662-F721 HydrophobicContact CG2-CE2 3.57Å; T662-F721 HydrophobicContact CG2-CZ 4.44Å
663	V	97.9	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.6	-46.8	178.8	168.6	0	0	0	0	110.6	L666 K667 L693 D724 E728 L729 V732	V663-L666 PolarHBondContact O-N 3.47Å; V663-K667 HydrophobicContact CG1-CD 4.22Å; V663-K667 HydrophobicContact CG1-CG 4.44Å; V663-K667 WeakPolarHBondContact O-CG 3.47Å; V663-K667 PolarHBondContact O-N 2.95Å; V663-L693 HydrophobicContact CG1-CD1 4.17Å; V663-L693 HydrophobicContact CG1-CD2 4.09Å; V663-L693 HydrophobicContact CG2-CD2 4.48Å; V663-D724 HydrophobicContact CB-CB 4.35Å; V663-D724 HydrophobicContact CG2-CB 4.14Å; V663-E728 HydrophobicContact CG1-CB 4.07Å; V663-E728 HydrophobicContact CG1-CG 4.38Å; V663-E728 HydrophobicContact CG2-CB 3.99Å; V663-L729 HydrophobicContact CG2-CD2 3.93Å; V663-V732 HydrophobicContact CG2-CG2 4.4Å
664	R	95.9	Very high	96.7	Very high	31 Å²	31	18.1 Å²	18.1	12%	0.117	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-41.6	-176.2	-58.8	-176.7	-68	154.3	11.8	112.8	L344 T662 K667 M668 Y685	L344-R664 HydrophobicContact CD1-CB 4.08Å; L344-R664 WeakPolarHBondContact CD1-O 3.47Å; T662-R664 VanDerWaalsContact C-N 3.29Å; T662-R664 PolarHBondContact O-N 2.98Å; R664-K667 PolarHBondContact O-N 3.5Å; R664-M668 PolarHBondContact O-N 3.34Å; R664-M668 VanDerWaalsContact O-N 3.1Å; R664-Y685 HydrophobicContact CB-CD1 4.5Å; R664-Y685 WeakPolarHBondContact CD-O 3.47Å; R664-Y685 VanDerWaalsContact CG-O 3.28Å; R664-Y685 WeakPolarHBondContact CG-O 3.4Å
665	A	96.4	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-39.6	175.2	0	0	0	0	0	111.8	I339 T342 E346 T662 M668 H669	I339-A665 HydrophobicContact CD1-CB 3.79Å; T342-A665 HydrophobicContact CG2-CB 3.94Å; T342-A665 VanDerWaalsContact OG1-CB 3.26Å; T342-A665 WeakPolarHBondContact OG1-CB 3.37Å; E346-A665 HydrophobicContact CG-CB 4.48Å; T662-A665 PolarHBondContact O-N 3.48Å; T662-A665 WeakPolarHBondContact OG1-CB 3.3Å; T662-A665 PolarHBondContact OG1-N 3.07Å; A665-M668 WeakPolarHBondContact O-CB 3.2Å; A665-M668 PolarHBondContact O-N 3.37Å; A665-H669 PolarHBondContact O-CD2 3.43Å; A665-H669 PolarHBondContact O-N 2.91Å
666	L	98.2	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-44.3	175.2	-68.1	172.2	0	0	0	111.4	I339 A661 T662 V663 M668 H669 G670 L693 G696 M700 V732	I339-L666 HydrophobicContact CD1-CD2 3.81Å; I339-L666 HydrophobicContact CD1-CG 4.14Å; A661-L666 HydrophobicContact CB-CD1 4.18Å; T662-L666 WeakPolarHBondContact O-CB 3.31Å; T662-L666 VanDerWaalsContact O-CG 3.27Å; T662-L666 WeakPolarHBondContact O-CG 3.49Å; T662-L666 PolarHBondContact O-N 3.07Å; V663-L666 PolarHBondContact O-N 3.47Å; L666-M668 PolarHBondContact O-N 3.14Å; L666-H669 CarbonylContact O-C 3.53Å; L666-H669 WeakPolarHBondContact O-CA 3.42Å; L666-H669 WeakPolarHBondContact O-CB 3.41Å; L666-H669 PolarHBondContact O-N 3.31Å; L666-G670 PolarHBondContact O-N 3.03Å; L666-L693 HydrophobicContact CB-CD1 3.56Å; L666-L693 HydrophobicContact CD1-CD1 4.05Å; L666-L693 HydrophobicContact CG-CD1 4.47Å; L666-G696 WeakPolarHBondContact O-CA 3.39Å; L666-M700 HydrophobicContact CD2-CB 3.9Å; L666-V732 HydrophobicContact CD1-CB 4.4Å; L666-V732 HydrophobicContact CD1-CG1 3.72Å; L666-V732 HydrophobicContact CD1-CG2 3.68Å
667	K	97.7	Very high	94	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-55.1	-39	172.8	-73.7	-177.1	-172.6	168.6	0	112.5	V663 R664 H669 G670 G672 E684 Y685 E687 L692 L693 E728	V663-K667 HydrophobicContact CG1-CD 4.22Å; V663-K667 HydrophobicContact CG1-CG 4.44Å; V663-K667 WeakPolarHBondContact O-CG 3.47Å; V663-K667 PolarHBondContact O-N 2.95Å; R664-K667 PolarHBondContact O-N 3.5Å; K667-H669 VanDerWaalsContact C-N 3.32Å; K667-H669 PolarHBondContact O-N 3.4Å; K667-G670 WeakPolarHBondContact O-CA 3.31Å; K667-G670 PolarHBondContact O-N 2.86Å; K667-G672 PolarHBondContact O-N 3.38Å; K667-E684 WeakPolarHBondContact CD-O 3.49Å; K667-E684 PolarHBondContact NZ-O 3.33Å; K667-Y685 HydrophobicContact CB-CD1 4.11Å; K667-Y685 HydrophobicContact CB-CE1 4.13Å; K667-E687 PolarHBondContact NZ-O 2.96Å; K667-L692 HydrophobicContact CB-CD2 3.78Å; K667-L692 HydrophobicContact CB-CG 4.03Å; K667-L692 HydrophobicContact CD-CD2 4.48Å; K667-L692 HydrophobicContact CG-CD2 4.21Å; K667-L692 HydrophobicContact CG-CG 4.33Å; K667-L692 VanDerWaalsContact O-CG 3.31Å; K667-L692 WeakPolarHBondContact O-CG 3.45Å; K667-L693 HydrophobicContact CG-CB 4.07Å; K667-L693 HydrophobicContact CG-CD1 4.37Å; K667-E728 WeakPolarHBondContact CE-OE1 3.21Å; K667-E728 IonicContact NZ-OE1 3.9Å; K667-E728 PolarHBondContact NZ-OE1 2.91Å; K667-E728 IonicContact NZ-OE2 2.8Å; K667-E728 PolarHBondContact NZ-OE2 2.94Å
668	M	96.4	Very high	92.8	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.059	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-41.3	174.4	-170.5	-179	-170.1	0	0	111.1	T342 P343 L344 R664 A665 L666 G670 G671 G672 Y685	T342-M668 HydrophobicContact CG2-CB 4.34Å; T342-M668 HydrophobicContact CG2-SD 3.88Å; P343-M668 HydrophobicContact CG-CE 4.41Å; L344-M668 HydrophobicContact CD1-CB 4.21Å; L344-M668 HydrophobicContact CD1-SD 4.5Å; R664-M668 PolarHBondContact O-N 3.34Å; R664-M668 VanDerWaalsContact O-N 3.1Å; A665-M668 WeakPolarHBondContact O-CB 3.2Å; A665-M668 PolarHBondContact O-N 3.37Å; L666-M668 PolarHBondContact O-N 3.14Å; M668-G670 PolarHBondContact O-N 2.87Å; M668-G671 PolarHBondContact O-N 3Å; M668-G671 VanDerWaalsContact O-N 3.16Å; M668-G672 PolarHBondContact O-N 3.38Å; M668-Y685 HydrophobicContact CB-CE1 3.88Å
669	H	97.6	Very high	92	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.032	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-21.2	172.5	-74.2	-54.7	0	0	0	114.8	T340 A665 L666 K667 G671 N699 G841	T340-H669 PolarHBondContact O-NE2 3.48Å; A665-H669 PolarHBondContact O-CD2 3.43Å; A665-H669 PolarHBondContact O-N 2.91Å; L666-H669 CarbonylContact O-C 3.53Å; L666-H669 WeakPolarHBondContact O-CA 3.42Å; L666-H669 WeakPolarHBondContact O-CB 3.41Å; L666-H669 PolarHBondContact O-N 3.31Å; K667-H669 VanDerWaalsContact C-N 3.32Å; K667-H669 PolarHBondContact O-N 3.4Å; H669-G671 PolarHBondContact O-N 3.27Å; H669-N699 HydrophobicContact CB-CB 4.07Å; H669-G841 PolarHBondContact ND1-N 2.72Å; H669-G841 WeakPolarHBondContact O-CA 3.3Å; H669-G841 PolarHBondContact O-N 3.11Å
670	G	96.7	Very high	91.5	Very high	17 Å²	17	41.1 Å²	41.1	18%	0.175	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.7	174	0	0	0	0	0	114.9	L666 K667 M668 L692	L666-G670 PolarHBondContact O-N 3.03Å; K667-G670 WeakPolarHBondContact O-CA 3.31Å; K667-G670 PolarHBondContact O-N 2.86Å; M668-G670 PolarHBondContact O-N 2.87Å; G670-L692 VanDerWaalsContact C-CD1 3.47Å; G670-L692 WeakPolarHBondContact CA-O 3.29Å; G670-L692 WeakPolarHBondContact O-CD1 3.49Å
671	G	95.1	Very high	91.1	Very high	63 Å²	63	44.2 Å²	44.2	65%	0.649	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	21.1	-175.5	0	0	0	0	0	114.2	M668 H669	M668-G671 PolarHBondContact O-N 3Å; M668-G671 VanDerWaalsContact O-N 3.16Å; H669-G671 PolarHBondContact O-N 3.27Å
672	G	93.2	Very high	90.8	Very high	14 Å²	14	45.8 Å²	45.8	14%	0.144	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.3	159	177.7	0	0	0	0	0	112.9	K667 M668 Y685	K667-G672 PolarHBondContact O-N 3.38Å; M668-G672 PolarHBondContact O-N 3.38Å; G672-Y685 WeakPolarHBondContact CA-OH 2.83Å; G672-Y685 PolarHBondContact O-OH 3.34Å
673	P	92.4	Very high	90.6	Very high	49 Å²	49	52.5 Å²	52.5	32%	0.318	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63	151.7	-177.1	24.1	-33.1	0	0	0	113	V675 P682 E684 Y685	P673-V675 PolarHBondContact O-N 3.41Å; P673-P682 HydrophobicContact CB-CB 4.33Å; P673-P682 HydrophobicContact CB-CG 4.18Å; P673-P682 HydrophobicContact CG-CB 3.42Å; P673-P682 VanDerWaalsContact CG-CB 3.42Å; P673-P682 HydrophobicContact CG-CG 3.7Å; P673-E684 HydrophobicContact CG-CB 4.45Å; P673-E684 HydrophobicContact CG-CG 4.39Å; P673-Y685 HydrophobicContact CG-CE2 3.84Å; P673-Y685 VanDerWaalsContact O-CE2 3.29Å; P673-Y685 WeakPolarHBondContact O-CE2 3.26Å; P673-Y685 PolarHBondContact O-OH 3.21Å
674	I	88.1	Confident	90.5	Very high	126 Å²	126	56.3 Å²	56.3	65%	0.646	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-61.3	137	179.9	-59.9	177.3	0	0	0	110.4
675	V	85.7	Confident	90.4	Very high	26 Å²	26	54.8 Å²	54.8	16%	0.158	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-101.1	121.6	177.6	178.8	0	0	0	0	109.5	L344 P673 L681 Y685	L344-V675 HydrophobicContact CD1-CG2 4.3Å; L344-V675 HydrophobicContact CD2-CG1 4.27Å; L344-V675 HydrophobicContact CD2-CG2 3.99Å; L344-V675 HydrophobicContact CG-CG2 4.16Å; P673-V675 PolarHBondContact O-N 3.41Å; V675-L681 HydrophobicContact CG1-CD2 3.9Å; V675-L681 HydrophobicContact CG2-CD2 4.45Å; V675-Y685 HydrophobicContact CG2-CD2 4.15Å; V675-Y685 HydrophobicContact CG2-CE2 3.57Å
676	T	79.9	Confident	90.3	Very high	89 Å²	89	57.4 Å²	57.4	55%	0.546	37%	0.366	S	S	.	.			trans	-106	127.2	175.9	-56	0	0	0	0	109.7	G678 M679	T676-G678 PolarHBondContact O-N 3.31Å; T676-M679 HydrophobicContact CG2-CG 4.26Å; T676-M679 PolarHBondContact O-N 2.99Å; T676-M679 VanDerWaalsContact O-N 3.14Å
677	A	72.2	Confident	90.1	Very high	101 Å²	101	62.8 Å²	62.8	84%	0.835	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133	178.1	0	0	0	0	0	111.3	M679	A677-M679 VanDerWaalsContact C-N 3.34Å
678	G	72.3	Confident	90.1	Very high	85 Å²	85	67.4 Å²	67.4	88%	0.876	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-8.3	-178.2	0	0	0	0	0	115.3	T676	T676-G678 PolarHBondContact O-N 3.31Å
679	M	82.3	Confident	90.1	Very high	130 Å²	130	69.3 Å²	69.3	64%	0.64	42%	0.423	S	S	*	.	S	Bend	trans	-96.2	151.1	173.7	-63.4	-60.7	-69.8	0	0	111.3	T676 A677	T676-M679 HydrophobicContact CG2-CG 4.26Å; T676-M679 PolarHBondContact O-N 2.99Å; T676-M679 VanDerWaalsContact O-N 3.14Å; A677-M679 VanDerWaalsContact C-N 3.34Å
680	P	88.1	Confident	90.1	Very high	113 Å²	113	72 Å²	72	73%	0.734	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-55.7	143.1	171.8	-24.1	34.1	0	0	0	111.7
681	L	90.3	Very high	90.1	Very high	65 Å²	65	78.1 Å²	78.1	34%	0.34	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-65.6	133.8	176.4	-71.4	178.1	0	0	0	110.6	L344 V675 V686	L344-L681 HydrophobicContact CD2-CD1 4.43Å; L344-L681 HydrophobicContact CD2-CD2 3.53Å; V675-L681 HydrophobicContact CG1-CD2 3.9Å; V675-L681 HydrophobicContact CG2-CD2 4.45Å; L681-V686 HydrophobicContact CB-CG1 4.16Å; L681-V686 HydrophobicContact CD1-CG1 4.41Å
682	P	92.9	Very high	90.2	Very high	33 Å²	33	76.1 Å²	76.1	21%	0.214	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-55.3	151.7	170.7	-27.6	34	0	0	0	113.1	P673 E684 Y685	P673-P682 HydrophobicContact CB-CB 4.33Å; P673-P682 HydrophobicContact CB-CG 4.18Å; P673-P682 HydrophobicContact CG-CB 3.42Å; P673-P682 VanDerWaalsContact CG-CB 3.42Å; P673-P682 HydrophobicContact CG-CG 3.7Å; P682-E684 WeakPolarHBondContact CB-OE2 3.32Å; P682-E684 PolarHBondContact O-N 2.87Å; P682-Y685 HydrophobicContact CB-CD2 3.9Å; P682-Y685 HydrophobicContact CB-CE2 4.15Å; P682-Y685 HydrophobicContact CG-CD2 4.03Å; P682-Y685 HydrophobicContact CG-CE2 4.01Å; P682-Y685 PolarHBondContact O-N 3.02Å
683	K	94.2	Very high	90.4	Very high	141 Å²	141	75.5 Å²	75.5	61%	0.613	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.4	-35	-174.4	-63.2	-173.2	-178.5	-173.8	0	112.3	Y685 V686 E687	K683-Y685 PolarHBondContact O-N 3.27Å; K683-V686 WeakPolarHBondContact O-CG2 3.48Å; K683-V686 PolarHBondContact O-N 3.17Å; K683-E687 WeakPolarHBondContact O-CB 3.07Å; K683-E687 PolarHBondContact O-N 3.4Å
684	E	94.4	Very high	90.7	Very high	79 Å²	79	79.1 Å²	79.1	37%	0.369	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-55.6	-26.2	178	-61.9	80.5	177.5	0	0	112.5	K667 P673 P682 L692	K667-E684 WeakPolarHBondContact CD-O 3.49Å; K667-E684 PolarHBondContact NZ-O 3.33Å; P673-E684 HydrophobicContact CG-CB 4.45Å; P673-E684 HydrophobicContact CG-CG 4.39Å; P682-E684 WeakPolarHBondContact CB-OE2 3.32Å; P682-E684 PolarHBondContact O-N 2.87Å; E684-L692 HydrophobicContact CB-CD2 4.04Å
685	Y	94	Very high	91.1	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-94.8	-10.6	178.8	-58.9	-61.6	0	0	0	114.5	L344 R664 K667 M668 G672 P673 V675 P682 K683	L344-Y685 HydrophobicContact CD1-CD1 3.74Å; L344-Y685 HydrophobicContact CD1-CE1 3.74Å; L344-Y685 HydrophobicContact CD1-CG 4.21Å; R664-Y685 HydrophobicContact CB-CD1 4.5Å; R664-Y685 WeakPolarHBondContact CD-O 3.47Å; R664-Y685 VanDerWaalsContact CG-O 3.28Å; R664-Y685 WeakPolarHBondContact CG-O 3.4Å; K667-Y685 HydrophobicContact CB-CD1 4.11Å; K667-Y685 HydrophobicContact CB-CE1 4.13Å; M668-Y685 HydrophobicContact CB-CE1 3.88Å; G672-Y685 WeakPolarHBondContact CA-OH 2.83Å; G672-Y685 PolarHBondContact O-OH 3.34Å; P673-Y685 HydrophobicContact CG-CE2 3.84Å; P673-Y685 VanDerWaalsContact O-CE2 3.29Å; P673-Y685 WeakPolarHBondContact O-CE2 3.26Å; P673-Y685 PolarHBondContact O-OH 3.21Å; V675-Y685 HydrophobicContact CG2-CD2 4.15Å; V675-Y685 HydrophobicContact CG2-CE2 3.57Å; P682-Y685 HydrophobicContact CB-CD2 3.9Å; P682-Y685 HydrophobicContact CB-CE2 4.15Å; P682-Y685 HydrophobicContact CG-CD2 4.03Å; P682-Y685 HydrophobicContact CG-CE2 4.01Å; P682-Y685 PolarHBondContact O-N 3.02Å; K683-Y685 PolarHBondContact O-N 3.27Å
686	V	93.6	Very high	91.7	Very high	55 Å²	55	76 Å²	76	33%	0.333	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-15.6	-176.9	-62.9	0	0	0	0	113.3	L681 K683 T723	L681-V686 HydrophobicContact CB-CG1 4.16Å; L681-V686 HydrophobicContact CD1-CG1 4.41Å; K683-V686 WeakPolarHBondContact O-CG2 3.48Å; K683-V686 PolarHBondContact O-N 3.17Å; V686-T723 HydrophobicContact CB-CG2 4.02Å; V686-T723 HydrophobicContact CG1-CG2 4.14Å
687	E	94.7	Very high	92.5	Very high	113 Å²	113	71.8 Å²	71.8	53%	0.528	40%	0.398	S	S	.	.	S	Bend	trans	-108	157.8	172.6	-64.6	174.4	-166.6	0	0	110.2	K667 K683 N689	K667-E687 PolarHBondContact NZ-O 2.96Å; K683-E687 WeakPolarHBondContact O-CB 3.07Å; K683-E687 PolarHBondContact O-N 3.4Å; E687-N689 PolarHBondContact O-N 2.66Å
688	E	97.6	Very high	93.8	Very high	97 Å²	97	68.5 Å²	68.5	45%	0.453	37%	0.369	S	S	.	.			trans	-63.3	130.4	179	-176.4	172.3	102.8	0	0	111.1	L690 T725 E728	E688-L690 HydrophobicContact CG-CD2 4.03Å; E688-L690 HydrophobicContact CG-CG 4.15Å; E688-T725 HydrophobicContact CB-CG2 3.95Å; E688-T725 HydrophobicContact CG-CG2 4.32Å; E688-T725 VanDerWaalsContact OE2-CB 3.3Å; E688-T725 WeakPolarHBondContact OE2-CB 3.43Å; E688-T725 WeakPolarHBondContact OE2-CG2 3.38Å; E688-T725 PolarHBondContact OE2-OG1 2.87Å; E688-E728 VanDerWaalsContact CA-OE1 3.26Å; E688-E728 WeakPolarHBondContact CA-OE1 3.38Å; E688-E728 HydrophobicContact CG-CG 3.95Å
689	N	97	Very high	95	Very high	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.327	S	S	.	.			trans	-148.7	88.1	172.8	-168.6	-30	0	0	0	111	E687 E691 L692 L693 E728	E687-N689 PolarHBondContact O-N 2.66Å; N689-E691 PolarHBondContact O-N 3.06Å; N689-E691 PolarHBondContact OD1-N 3.42Å; N689-L692 HydrophobicContact CB-CB 4.14Å; N689-L692 VanDerWaalsContact CG-CB 3.45Å; N689-L692 VanDerWaalsContact OD1-CB 3.26Å; N689-L692 WeakPolarHBondContact OD1-CB 3.09Å; N689-L692 PolarHBondContact OD1-N 3.28Å; N689-L693 VanDerWaalsContact O-CB 3.3Å; N689-L693 WeakPolarHBondContact O-CB 3.18Å; N689-L693 PolarHBondContact O-N 2.87Å; N689-E728 PolarHBondContact N-OE1 2.99Å
690	L	97.7	Very high	95.8	Very high	62 Å²	62	58.3 Å²	58.3	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-67.3	-33.4	-175.6	-57.6	-177.6	0	0	0	113.3	E688 K694 V727 E728 L731	E688-L690 HydrophobicContact CG-CD2 4.03Å; E688-L690 HydrophobicContact CG-CG 4.15Å; L690-K694 WeakPolarHBondContact O-CB 3.25Å; L690-K694 PolarHBondContact O-N 2.64Å; L690-V727 HydrophobicContact CD1-CG1 3.94Å; L690-V727 HydrophobicContact CD2-CG1 3.98Å; L690-E728 HydrophobicContact CD2-CG 3.64Å; L690-L731 HydrophobicContact CB-CD2 4.26Å; L690-L731 HydrophobicContact CD2-CD2 4.13Å
691	E	97.3	Very high	96.3	Very high	146 Å²	146	58.9 Å²	58.9	68%	0.682	28%	0.284	S	S	*	.	H	α-helix	trans	-67.5	-49.5	179.4	-176.3	176.4	-177.7	0	0	110.8	N689 L693 K694 N695	N689-E691 PolarHBondContact O-N 3.06Å; N689-E691 PolarHBondContact OD1-N 3.42Å; E691-L693 VanDerWaalsContact C-N 3.32Å; E691-L693 PolarHBondContact O-N 2.75Å; E691-K694 PolarHBondContact O-N 3.43Å; E691-N695 VanDerWaalsContact O-CG 3.3Å; E691-N695 PolarHBondContact O-N 2.87Å; E691-N695 PolarHBondContact O-ND2 3.41Å
692	L	95.9	Very high	96.7	Very high	22 Å²	22	56.7 Å²	56.7	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-43.5	177.6	-170.3	67.2	0	0	0	111.1	K667 G670 E684 N689 N695 G696	K667-L692 HydrophobicContact CB-CD2 3.78Å; K667-L692 HydrophobicContact CB-CG 4.03Å; K667-L692 HydrophobicContact CD-CD2 4.48Å; K667-L692 HydrophobicContact CG-CD2 4.21Å; K667-L692 HydrophobicContact CG-CG 4.33Å; K667-L692 VanDerWaalsContact O-CG 3.31Å; K667-L692 WeakPolarHBondContact O-CG 3.45Å; G670-L692 VanDerWaalsContact C-CD1 3.47Å; G670-L692 WeakPolarHBondContact CA-O 3.29Å; G670-L692 WeakPolarHBondContact O-CD1 3.49Å; E684-L692 HydrophobicContact CB-CD2 4.04Å; N689-L692 HydrophobicContact CB-CB 4.14Å; N689-L692 VanDerWaalsContact CG-CB 3.45Å; N689-L692 VanDerWaalsContact OD1-CB 3.26Å; N689-L692 WeakPolarHBondContact OD1-CB 3.09Å; N689-L692 PolarHBondContact OD1-N 3.28Å; L692-N695 PolarHBondContact O-N 3.37Å; L692-G696 PolarHBondContact O-N 2.93Å
693	L	97.8	Very high	96.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-47.4	175.8	-179.4	56.4	0	0	0	112.1	V663 L666 K667 N689 E691 N695 G696 C697 E728 L731 V732	V663-L693 HydrophobicContact CG1-CD1 4.17Å; V663-L693 HydrophobicContact CG1-CD2 4.09Å; V663-L693 HydrophobicContact CG2-CD2 4.48Å; L666-L693 HydrophobicContact CB-CD1 3.56Å; L666-L693 HydrophobicContact CD1-CD1 4.05Å; L666-L693 HydrophobicContact CG-CD1 4.47Å; K667-L693 HydrophobicContact CG-CB 4.07Å; K667-L693 HydrophobicContact CG-CD1 4.37Å; N689-L693 VanDerWaalsContact O-CB 3.3Å; N689-L693 WeakPolarHBondContact O-CB 3.18Å; N689-L693 PolarHBondContact O-N 2.87Å; E691-L693 VanDerWaalsContact C-N 3.32Å; E691-L693 PolarHBondContact O-N 2.75Å; L693-N695 VanDerWaalsContact C-N 3.33Å; L693-N695 PolarHBondContact O-N 3.21Å; L693-G696 WeakPolarHBondContact O-CA 3.41Å; L693-G696 PolarHBondContact O-N 2.88Å; L693-G696 VanDerWaalsContact O-N 3.08Å; L693-C697 PolarHBondContact O-N 3.07Å; L693-C697 PolarHBondContact O-SG 3.06Å; L693-C697 VanDerWaalsContact O-SG 3.38Å; L693-E728 HydrophobicContact CD2-CB 3.6Å; L693-E728 HydrophobicContact CD2-CG 3.76Å; L693-L731 HydrophobicContact CD2-CD2 4.16Å; L693-L731 HydrophobicContact CG-CD2 4.34Å; L693-V732 HydrophobicContact CD1-CG2 3.75Å; L693-V732 HydrophobicContact CD2-CG2 4.02Å; L693-V732 HydrophobicContact CG-CG2 4.12Å
694	K	97.9	Very high	97.1	Very high	126 Å²	126	48.4 Å²	48.4	55%	0.548	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-42	178.9	-176.1	179.3	-179.4	-178	0	111.8	L690 E691 G696 C697 L731 M735	L690-K694 WeakPolarHBondContact O-CB 3.25Å; L690-K694 PolarHBondContact O-N 2.64Å; E691-K694 PolarHBondContact O-N 3.43Å; K694-G696 VanDerWaalsContact C-N 3.31Å; K694-C697 PolarHBondContact O-N 3.24Å; K694-L731 HydrophobicContact CB-CD2 4.46Å; K694-M735 HydrophobicContact CB-SD 4.33Å; K694-M735 HydrophobicContact CG-CE 3.83Å; K694-M735 HydrophobicContact CG-SD 3.95Å
695	N	97.6	Very high	97.3	Very high	85 Å²	85	48.5 Å²	48.5	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-40.6	175	-68.4	-17.2	0	0	0	111.1	E691 L692 L693 C697 S698	E691-N695 VanDerWaalsContact O-CG 3.3Å; E691-N695 PolarHBondContact O-N 2.87Å; E691-N695 PolarHBondContact O-ND2 3.41Å; L692-N695 PolarHBondContact O-N 3.37Å; L693-N695 VanDerWaalsContact C-N 3.33Å; L693-N695 PolarHBondContact O-N 3.21Å; N695-C697 PolarHBondContact O-N 2.92Å; N695-S698 VanDerWaalsContact O-CB 3.28Å; N695-S698 WeakPolarHBondContact O-CB 3.36Å; N695-S698 PolarHBondContact O-N 3.08Å; N695-S698 PolarHBondContact O-OG 2.81Å
696	G	97.3	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-34.3	176.7	0	0	0	0	0	115.9	L666 L692 L693 K694 S698 N699	L666-G696 WeakPolarHBondContact O-CA 3.39Å; L692-G696 PolarHBondContact O-N 2.93Å; L693-G696 WeakPolarHBondContact O-CA 3.41Å; L693-G696 PolarHBondContact O-N 2.88Å; L693-G696 VanDerWaalsContact O-N 3.08Å; K694-G696 VanDerWaalsContact C-N 3.31Å; G696-S698 PolarHBondContact O-N 3.3Å; G696-N699 PolarHBondContact O-N 3.15Å
697	C	98.3	Very high	97.6	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.014	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-12.1	175.8	-71.9	0	0	0	0	113.6	L693 K694 N695 N699 M700 R701 M735	L693-C697 PolarHBondContact O-N 3.07Å; L693-C697 PolarHBondContact O-SG 3.06Å; L693-C697 VanDerWaalsContact O-SG 3.38Å; K694-C697 PolarHBondContact O-N 3.24Å; N695-C697 PolarHBondContact O-N 2.92Å; C697-N699 VanDerWaalsContact C-N 3.31Å; C697-N699 PolarHBondContact O-N 3.05Å; C697-M700 HydrophobicContact CB-CE 4.19Å; C697-M700 PolarHBondContact O-N 3.05Å; C697-R701 WeakPolarHBondContact O-CB 3.43Å; C697-R701 PolarHBondContact O-N 2.72Å; C697-M735 HydrophobicContact CB-CB 4.35Å; C697-M735 HydrophobicContact CB-CE 3.43Å; C697-M735 VanDerWaalsContact CB-CE 3.43Å; C697-M735 HydrophobicContact CB-SD 3.71Å
698	S	98	Very high	97.6	Very high	32 Å²	32	45 Å²	45	22%	0.224	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-42.3	167.7	61.3	0	0	0	0	112.5	N695 G696 R701 K702 V842	N695-S698 VanDerWaalsContact O-CB 3.28Å; N695-S698 WeakPolarHBondContact O-CB 3.36Å; N695-S698 PolarHBondContact O-N 3.08Å; N695-S698 PolarHBondContact O-OG 2.81Å; G696-S698 PolarHBondContact O-N 3.3Å; S698-R701 PolarHBondContact O-N 2.79Å; S698-K702 PolarHBondContact O-N 2.74Å; S698-V842 VanDerWaalsContact O-CG2 3.27Å; S698-V842 WeakPolarHBondContact O-CG2 3.49Å
699	N	98.6	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-49.4	177.7	-176.1	-87.2	0	0	0	110.7	T340 H669 G696 C697 R701 K702 Q703 G841	T340-N699 PolarHBondContact N-OD1 3.04Å; T340-N699 PolarHBondContact OG1-ND2 2.95Å; H669-N699 HydrophobicContact CB-CB 4.07Å; G696-N699 PolarHBondContact O-N 3.15Å; C697-N699 VanDerWaalsContact C-N 3.31Å; C697-N699 PolarHBondContact O-N 3.05Å; N699-R701 VanDerWaalsContact C-N 3.31Å; N699-R701 PolarHBondContact O-N 3.43Å; N699-K702 PolarHBondContact O-N 3.05Å; N699-K702 VanDerWaalsContact O-N 3.1Å; N699-Q703 VanDerWaalsContact O-CG 3.31Å; N699-Q703 WeakPolarHBondContact O-CG 3.26Å; N699-Q703 PolarHBondContact O-N 3.35Å; N699-G841 PolarHBondContact ND2-O 3.05Å
700	M	98.4	Very high	97.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-44.4	175.7	-179.6	-177.2	67.6	0	0	112.1	I339 L659 A661 L666 C697 K702 Q703 I704 V716 V732 M735 A736	I339-M700 HydrophobicContact CG2-CB 3.99Å; I339-M700 HydrophobicContact CG2-CG 4.26Å; L659-M700 HydrophobicContact CD2-CG 4.18Å; A661-M700 HydrophobicContact CB-SD 4.32Å; L666-M700 HydrophobicContact CD2-CB 3.9Å; C697-M700 HydrophobicContact CB-CE 4.19Å; C697-M700 PolarHBondContact O-N 3.05Å; M700-K702 VanDerWaalsContact C-N 3.33Å; M700-K702 PolarHBondContact O-N 3.1Å; M700-Q703 PolarHBondContact O-N 3.25Å; M700-Q703 VanDerWaalsContact O-N 3.14Å; M700-I704 HydrophobicContact CG-CD1 4.05Å; M700-I704 WeakPolarHBondContact O-CG1 3.21Å; M700-I704 PolarHBondContact O-N 2.77Å; M700-V716 HydrophobicContact SD-CG1 3.95Å; M700-V732 HydrophobicContact CE-CG1 4.06Å; M700-V732 HydrophobicContact SD-CG1 3.78Å; M700-M735 HydrophobicContact CE-CB 4.28Å; M700-A736 HydrophobicContact CE-CB 3.79Å; M700-A736 HydrophobicContact SD-CB 4.07Å
701	R	98.5	Very high	97.5	Very high	125 Å²	125	38.8 Å²	38.8	47%	0.472	19%	0.185	S	C	.	.	H	α-helix	trans	-56.9	-46.8	176	180	-174.1	-59.4	142.7	2.6	111.4	C697 S698 N699 Q703 I704 E705 A739	C697-R701 WeakPolarHBondContact O-CB 3.43Å; C697-R701 PolarHBondContact O-N 2.72Å; S698-R701 PolarHBondContact O-N 2.79Å; N699-R701 VanDerWaalsContact C-N 3.31Å; N699-R701 PolarHBondContact O-N 3.43Å; R701-Q703 VanDerWaalsContact C-N 3.28Å; R701-Q703 PolarHBondContact O-N 3.28Å; R701-I704 PolarHBondContact O-N 3.45Å; R701-E705 PolarHBondContact O-N 2.91Å; R701-A739 HydrophobicContact CB-CB 4.14Å; R701-A739 HydrophobicContact CG-CB 3.8Å
702	K	98.4	Very high	97.4	Very high	18 Å²	18	32.1 Å²	32.1	8%	0.078	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-35.4	178	-177.6	59.3	-172.9	174.5	0	112	S698 N699 M700 E705 N706 K794 I795 L833 V842	S698-K702 PolarHBondContact O-N 2.74Å; N699-K702 PolarHBondContact O-N 3.05Å; N699-K702 VanDerWaalsContact O-N 3.1Å; M700-K702 VanDerWaalsContact C-N 3.33Å; M700-K702 PolarHBondContact O-N 3.1Å; K702-E705 IonicContact NZ-OE1 2.85Å; K702-E705 PolarHBondContact NZ-OE1 3.09Å; K702-E705 IonicContact NZ-OE2 3.39Å; K702-E705 WeakPolarHBondContact O-CB 3.07Å; K702-E705 PolarHBondContact O-N 3.16Å; K702-N706 VanDerWaalsContact CE-OD1 3.28Å; K702-N706 WeakPolarHBondContact CE-OD1 3.44Å; K702-N706 WeakPolarHBondContact O-CB 3.44Å; K702-N706 PolarHBondContact O-N 3.23Å; K702-N706 PolarHBondContact O-OD1 3.27Å; K702-K794 PolarHBondContact NZ-O 2.89Å; K702-I795 WeakPolarHBondContact CE-O 3.38Å; K702-L833 HydrophobicContact CB-CD1 4.4Å; K702-L833 HydrophobicContact CG-CD1 3.87Å; K702-V842 HydrophobicContact CB-CG1 4.42Å; K702-V842 HydrophobicContact CB-CG2 3.83Å; K702-V842 HydrophobicContact CG-CG1 4.3Å; K702-V842 HydrophobicContact CG-CG2 4.5Å
703	Q	98.3	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72	-34.7	177.7	-60.4	-70.4	9.1	0	0	112.7	T340 A635 D636 L659 N699 M700 R701 N706 A707	T340-Q703 PolarHBondContact OG1-NE2 2.67Å; A635-Q703 HydrophobicContact CB-CB 4.12Å; A635-Q703 HydrophobicContact CB-CG 4.47Å; D636-Q703 VanDerWaalsContact N-OE1 3.1Å; D636-Q703 PolarHBondContact OD1-NE2 3.09Å; L659-Q703 HydrophobicContact CD1-CB 3.97Å; L659-Q703 HydrophobicContact CD2-CB 3.95Å; N699-Q703 VanDerWaalsContact O-CG 3.31Å; N699-Q703 WeakPolarHBondContact O-CG 3.26Å; N699-Q703 PolarHBondContact O-N 3.35Å; M700-Q703 PolarHBondContact O-N 3.25Å; M700-Q703 VanDerWaalsContact O-N 3.14Å; R701-Q703 VanDerWaalsContact C-N 3.28Å; R701-Q703 PolarHBondContact O-N 3.28Å; Q703-N706 PolarHBondContact O-N 3.05Å; Q703-N706 PolarHBondContact OE1-ND2 3.03Å; Q703-A707 PolarHBondContact O-N 2.85Å; Q703-A707 VanDerWaalsContact O-N 3.11Å
704	I	98.6	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-44.5	169.6	-65.1	164	0	0	0	110.2	L659 M700 R701 N706 A707 K708 V714 V716 A736 A739 A741	L659-I704 HydrophobicContact CD2-CD1 4.47Å; L659-I704 HydrophobicContact CD2-CG1 3.57Å; M700-I704 HydrophobicContact CG-CD1 4.05Å; M700-I704 WeakPolarHBondContact O-CG1 3.21Å; M700-I704 PolarHBondContact O-N 2.77Å; R701-I704 PolarHBondContact O-N 3.45Å; I704-N706 VanDerWaalsContact C-N 3.35Å; I704-N706 PolarHBondContact O-N 3.33Å; I704-A707 PolarHBondContact O-N 3.18Å; I704-K708 HydrophobicContact CG2-CD 4.39Å; I704-K708 WeakPolarHBondContact O-CG 3.44Å; I704-K708 PolarHBondContact O-N 2.86Å; I704-K708 VanDerWaalsContact O-N 3.07Å; I704-V714 HydrophobicContact CG1-CG1 4.36Å; I704-V716 HydrophobicContact CD1-CG2 3.95Å; I704-V716 HydrophobicContact CG1-CG2 4.22Å; I704-A736 HydrophobicContact CD1-CB 4.25Å; I704-A739 HydrophobicContact CD1-CB 3.76Å; I704-A741 HydrophobicContact CD1-CB 4.2Å
705	E	97.9	Very high	97.6	Very high	81 Å²	81	26.1 Å²	26.1	38%	0.379	13%	0.129	S	C	.	.	H	α-helix	trans	-59.6	-44	175	-174.8	-164.4	139.6	0	0	111.8	R701 K702 A707 K708 H709	R701-E705 PolarHBondContact O-N 2.91Å; K702-E705 IonicContact NZ-OE1 2.85Å; K702-E705 PolarHBondContact NZ-OE1 3.09Å; K702-E705 IonicContact NZ-OE2 3.39Å; K702-E705 WeakPolarHBondContact O-CB 3.07Å; K702-E705 PolarHBondContact O-N 3.16Å; E705-A707 VanDerWaalsContact C-N 3.33Å; E705-A707 PolarHBondContact O-N 2.71Å; E705-K708 WeakPolarHBondContact O-CB 3.37Å; E705-K708 PolarHBondContact O-N 2.89Å; E705-K708 VanDerWaalsContact O-N 3.07Å; E705-H709 PolarHBondContact O-N 3.39Å; E705-H709 VanDerWaalsContact O-N 3.13Å; E705-H709 IonicContact OE1-NE2 2.82Å
706	N	97.9	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-44.3	176.5	-73.1	-13.2	0	0	0	111.8	M639 K702 Q703 I704 K708 H709 F710 K794 I795	M639-N706 HydrophobicContact CE-CB 4.26Å; K702-N706 VanDerWaalsContact CE-OD1 3.28Å; K702-N706 WeakPolarHBondContact CE-OD1 3.44Å; K702-N706 WeakPolarHBondContact O-CB 3.44Å; K702-N706 PolarHBondContact O-N 3.23Å; K702-N706 PolarHBondContact O-OD1 3.27Å; Q703-N706 PolarHBondContact O-N 3.05Å; Q703-N706 PolarHBondContact OE1-ND2 3.03Å; I704-N706 VanDerWaalsContact C-N 3.35Å; I704-N706 PolarHBondContact O-N 3.33Å; N706-K708 VanDerWaalsContact C-N 3.33Å; N706-K708 PolarHBondContact O-N 3.37Å; N706-H709 PolarHBondContact O-N 2.89Å; N706-F710 WeakPolarHBondContact O-CD2 3.37Å; N706-F710 WeakPolarHBondContact O-CE2 3.28Å; N706-K794 PolarHBondContact OD1-O 2.74Å; N706-I795 HydrophobicContact CB-CD1 4.3Å; N706-I795 PolarHBondContact ND2-O 2.92Å; N706-I795 WeakPolarHBondContact OD1-CA 3.24Å; N706-I795 PolarHBondContact OD1-O 2.66Å
707	A	96.2	Very high	97.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-37.9	175.7	0	0	0	0	0	112.3	M639 V657 Q703 I704 E705 H709 F710 V714	M639-A707 VanDerWaalsContact CE-CA 3.48Å; M639-A707 HydrophobicContact CE-CB 3.68Å; M639-A707 HydrophobicContact SD-CB 3.8Å; V657-A707 HydrophobicContact CG1-CB 4.39Å; V657-A707 HydrophobicContact CG2-CB 4.36Å; Q703-A707 PolarHBondContact O-N 2.85Å; Q703-A707 VanDerWaalsContact O-N 3.11Å; I704-A707 PolarHBondContact O-N 3.18Å; E705-A707 VanDerWaalsContact C-N 3.33Å; E705-A707 PolarHBondContact O-N 2.71Å; A707-H709 VanDerWaalsContact C-N 3.3Å; A707-H709 PolarHBondContact O-N 3Å; A707-F710 PolarHBondContact O-N 2.9Å; A707-F710 VanDerWaalsContact O-N 3.1Å; A707-V714 HydrophobicContact CB-CG2 3.42Å; A707-V714 VanDerWaalsContact CB-CG2 3.42Å
708	K	94.6	Very high	97.7	Very high	94 Å²	94	22 Å²	22	41%	0.409	11%	0.107	S	C	.	.	H	α-helix	trans	-64.8	-28.3	177.7	-74.7	175.5	171.6	-177.2	0	113.9	I704 E705 N706 F710 G711 A739 G740	I704-K708 HydrophobicContact CG2-CD 4.39Å; I704-K708 WeakPolarHBondContact O-CG 3.44Å; I704-K708 PolarHBondContact O-N 2.86Å; I704-K708 VanDerWaalsContact O-N 3.07Å; E705-K708 WeakPolarHBondContact O-CB 3.37Å; E705-K708 PolarHBondContact O-N 2.89Å; E705-K708 VanDerWaalsContact O-N 3.07Å; N706-K708 VanDerWaalsContact C-N 3.33Å; N706-K708 PolarHBondContact O-N 3.37Å; K708-F710 PolarHBondContact O-N 3.37Å; K708-F710 VanDerWaalsContact O-N 3.12Å; K708-G711 PolarHBondContact O-N 2.82Å; K708-A739 PolarHBondContact NZ-O 2.72Å; K708-G740 WeakPolarHBondContact CE-O 3.35Å; K708-G740 VanDerWaalsContact NZ-C 3.32Å; K708-G740 PolarHBondContact NZ-O 3.25Å
709	H	96.9	Very high	97.7	Very high	60 Å²	60	21 Å²	21	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.9	173.1	-73.8	-46.8	0	0	0	112.9	E705 N706 A707 K775 L777	E705-H709 PolarHBondContact O-N 3.39Å; E705-H709 VanDerWaalsContact O-N 3.13Å; E705-H709 IonicContact OE1-NE2 2.82Å; N706-H709 PolarHBondContact O-N 2.89Å; A707-H709 VanDerWaalsContact C-N 3.3Å; A707-H709 PolarHBondContact O-N 3Å; H709-K775 WeakPolarHBondContact O-CE 3.26Å; H709-L777 HydrophobicContact CB-CD1 4.06Å
710	F	97.6	Very high	97.5	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.4	177.3	-59.4	-90	0	0	0	113.7	E640 F643 N644 N706 A707 K708 V712 F774 K775 L777 I795	E640-F710 HydrophobicContact CG-CZ 4.48Å; F643-F710 HydrophobicContact CB-CD1 3.55Å; F643-F710 HydrophobicContact CB-CE1 3.53Å; F643-F710 HydrophobicContact CB-CG 4.27Å; F643-F710 HydrophobicContact CB-CZ 4.23Å; F643-F710 HydrophobicContact CD2-CB 3.73Å; F643-F710 AromaticContact CD2-CD1 3.4Å; F643-F710 HydrophobicContact CD2-CD1 3.4Å; F643-F710 AromaticContact CD2-CD2 3.35Å; F643-F710 HydrophobicContact CD2-CD2 3.35Å; F643-F710 AromaticContact CD2-CE1 3.75Å; F643-F710 HydrophobicContact CD2-CE1 3.75Å; F643-F710 AromaticContact CD2-CE2 3.71Å; F643-F710 HydrophobicContact CD2-CE2 3.71Å; F643-F710 AromaticContact CD2-CG 3.19Å; F643-F710 HydrophobicContact CD2-CG 3.19Å; F643-F710 AromaticContact CD2-CZ 3.89Å; F643-F710 HydrophobicContact CD2-CZ 3.89Å; F643-F710 HydrophobicContact CE2-CB 3.78Å; F643-F710 HydrophobicContact CE2-CD1 4.3Å; F643-F710 AromaticContact CE2-CD2 3.65Å; F643-F710 HydrophobicContact CE2-CD2 3.65Å; F643-F710 HydrophobicContact CE2-CE2 4.3Å; F643-F710 AromaticContact CE2-CG 3.65Å; F643-F710 HydrophobicContact CE2-CG 3.65Å; F643-F710 HydrophobicContact CG-CB 4.44Å; F643-F710 AromaticContact CG-CD1 3.8Å; F643-F710 HydrophobicContact CG-CD1 3.8Å; F643-F710 HydrophobicContact CG-CD2 4.49Å; F643-F710 HydrophobicContact CG-CE1 4.12Å; F643-F710 HydrophobicContact CG-CG 4.01Å; N644-F710 WeakPolarHBondContact ND2-CE1 3.37Å; N706-F710 WeakPolarHBondContact O-CD2 3.37Å; N706-F710 WeakPolarHBondContact O-CE2 3.28Å; A707-F710 PolarHBondContact O-N 2.9Å; A707-F710 VanDerWaalsContact O-N 3.1Å; K708-F710 PolarHBondContact O-N 3.37Å; K708-F710 VanDerWaalsContact O-N 3.12Å; F710-V712 HydrophobicContact CB-CG2 4.45Å; F710-V712 PolarHBondContact O-N 3.32Å; F710-F774 HydrophobicContact CB-CE2 4.44Å; F710-F774 VanDerWaalsContact O-CA 3.25Å; F710-F774 WeakPolarHBondContact O-CA 3.42Å; F710-K775 VanDerWaalsContact CD1-O 3.27Å; F710-K775 WeakPolarHBondContact CD1-O 3.43Å; F710-K775 PolarHBondContact O-N 3.34Å; F710-K775 VanDerWaalsContact O-N 3.14Å; F710-L777 HydrophobicContact CE1-CB 3.88Å; F710-L777 HydrophobicContact CZ-CB 4Å; F710-L777 HydrophobicContact CZ-CD1 4.48Å; F710-I795 HydrophobicContact CE2-CD1 4.05Å; F710-I795 HydrophobicContact CZ-CD1 4.42Å
711	G	95.9	Very high	97.3	Very high	21 Å²	21	26 Å²	26	22%	0.216	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	21	175	0	0	0	0	0	115.8	K708 S772 D773	K708-G711 PolarHBondContact O-N 2.82Å; G711-S772 PolarHBondContact O-OG 3.24Å; G711-D773 PolarHBondContact O-N 2.98Å; G711-D773 VanDerWaalsContact O-N 3.1Å
712	V	95.8	Very high	97	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	15%	0.153	C	C	.	.			trans	-103.2	133.8	-178.9	-171.3	0	0	0	0	110.9	F643 P654 V657 F710 F774	F643-V712 HydrophobicContact CZ-CG2 4.26Å; P654-V712 HydrophobicContact CG-CG2 4.22Å; V657-V712 HydrophobicContact CG2-CB 4.13Å; V657-V712 HydrophobicContact CG2-CG1 3.91Å; F710-V712 HydrophobicContact CB-CG2 4.45Å; F710-V712 PolarHBondContact O-N 3.32Å; V712-F774 HydrophobicContact CG2-CD2 3.73Å; V712-F774 HydrophobicContact CG2-CE2 4.48Å
713	P	97.1	Very high	96.7	Very high	19 Å²	19	32 Å²	32	12%	0.123	17%	0.165	C	C	.	.			trans	-55.6	139.3	172.6	-25.9	33.5	0	0	0	113.3	H655 V657 F742 A767 A770	H655-P713 WeakPolarHBondContact O-CD 3.45Å; V657-P713 PolarHBondContact N-O 2.89Å; P713-F742 HydrophobicContact CB-CB 4.47Å; P713-A767 HydrophobicContact CB-CB 4.32Å; P713-A770 HydrophobicContact CG-CB 4.15Å
714	V	98.4	Very high	96.6	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126	-177.6	-174.5	0	0	0	0	110.7	V657 L659 I704 A707 V716 A741 F742	V657-V714 HydrophobicContact CB-CG2 4.3Å; V657-V714 HydrophobicContact CG1-CG1 4.45Å; V657-V714 CarbonylContact O-C 3.55Å; V657-V714 WeakPolarHBondContact O-CA 3.21Å; L659-V714 HydrophobicContact CB-CG1 3.97Å; I704-V714 HydrophobicContact CG1-CG1 4.36Å; A707-V714 HydrophobicContact CB-CG2 3.42Å; A707-V714 VanDerWaalsContact CB-CG2 3.42Å; V714-V716 HydrophobicContact CG1-CG2 4.42Å; V714-A741 CarbonylContact O-C 3.53Å; V714-F742 WeakPolarHBondContact O-CB 3.47Å; V714-F742 PolarHBondContact O-N 2.97Å
715	V	98.8	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.5	168.2	179.5	0	0	0	0	108.5	V656 V657 V658 L659 F742 D743 L760 A763 A767	V656-V715 HydrophobicContact CG1-CG2 4.02Å; V657-V715 PolarHBondContact O-N 3.49Å; V658-V715 CarbonylContact C-O 3.43Å; V658-V715 VanDerWaalsContact CA-O 3.27Å; V658-V715 WeakPolarHBondContact CA-O 3.29Å; L659-V715 PolarHBondContact N-O 2.89Å; V715-F742 HydrophobicContact CG2-CD1 4.4Å; V715-D743 WeakPolarHBondContact CA-O 3.45Å; V715-D743 HydrophobicContact CG1-CB 4.39Å; V715-L760 HydrophobicContact CG1-CD1 3.63Å; V715-A763 HydrophobicContact CG1-CB 3.87Å; V715-A767 HydrophobicContact CG2-CB 3.65Å
716	V	98.9	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.8	178.3	178.4	0	0	0	0	110.1	L659 M700 I704 V714 V718 A736 A741 D743 A744 V745	L659-V716 HydrophobicContact CB-CG2 4.34Å; L659-V716 HydrophobicContact CD2-CG2 4.31Å; L659-V716 CarbonylContact O-C 2.97Å; L659-V716 VanDerWaalsContact O-CA 3.32Å; L659-V716 WeakPolarHBondContact O-CA 3.13Å; M700-V716 HydrophobicContact SD-CG1 3.95Å; I704-V716 HydrophobicContact CD1-CG2 3.95Å; I704-V716 HydrophobicContact CG1-CG2 4.22Å; V714-V716 HydrophobicContact CG1-CG2 4.42Å; V716-V718 HydrophobicContact CG1-CG2 4.06Å; V716-A736 HydrophobicContact CB-CB 3.93Å; V716-A736 HydrophobicContact CG1-CB 4.15Å; V716-A736 HydrophobicContact CG2-CB 3.71Å; V716-A741 HydrophobicContact CG2-CB 3.86Å; V716-D743 PolarHBondContact N-O 3.33Å; V716-A744 HydrophobicContact CB-CB 3.96Å; V716-A744 CarbonylContact O-C 3.51Å; V716-A744 VanDerWaalsContact O-CA 3.29Å; V716-A744 WeakPolarHBondContact O-CA 3.31Å; V716-V745 PolarHBondContact O-N 2.76Å
717	A	98.8	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.6	172.5	0	0	0	0	0	109.4	T351 V658 L659 V660 A661 L760	T351-A717 HydrophobicContact CG2-CB 3.83Å; V658-A717 HydrophobicContact CG1-CB 3.89Å; L659-A717 PolarHBondContact O-N 3Å; V660-A717 WeakPolarHBondContact CA-O 3.47Å; V660-A717 HydrophobicContact CG2-CB 4.44Å; A661-A717 PolarHBondContact N-O 3.16Å; A717-L760 HydrophobicContact CB-CD1 3.96Å; A717-L760 HydrophobicContact CB-CD2 3.85Å
718	V	98.5	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	102.5	178.2	-171.5	0	0	0	0	108.4	A661 V716 G720 L729 V732 V745 C746 C747	A661-V718 WeakPolarHBondContact O-CA 3.46Å; V716-V718 HydrophobicContact CG1-CG2 4.06Å; V718-G720 PolarHBondContact O-N 3.38Å; V718-L729 HydrophobicContact CG1-CD2 3.75Å; V718-V732 HydrophobicContact CG1-CB 4.27Å; V718-V732 HydrophobicContact CG1-CG1 4.11Å; V718-V732 HydrophobicContact CG2-CB 4.2Å; V718-V732 HydrophobicContact CG2-CG1 3.57Å; V718-V745 PolarHBondContact N-O 3.43Å; V718-C746 CarbonylContact O-C 3.56Å; V718-C746 WeakPolarHBondContact O-CA 3.25Å; V718-C747 PolarHBondContact O-N 3.15Å
719	N	97.9	Very high	96.8	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.8	179.8	-73.2	-16.1	0	0	0	109.9	E346 G347 T351 V660 A661 T662 H749	E346-N719 PolarHBondContact O-ND2 3.24Å; G347-N719 PolarHBondContact O-ND2 2.53Å; T351-N719 PolarHBondContact OG1-ND2 2.94Å; T351-N719 PolarHBondContact OG1-OD1 2.8Å; V660-N719 VanDerWaalsContact CG1-ND2 3.31Å; V660-N719 WeakPolarHBondContact CG1-ND2 3.19Å; A661-N719 PolarHBondContact O-N 3.14Å; T662-N719 HydrophobicContact CG2-CB 3.99Å; N719-H749 PolarHBondContact OD1-CE1 3.39Å
720	G	94.7	Very high	96.8	Very high	34 Å²	34	37.7 Å²	37.7	35%	0.351	21%	0.205	S	C	.	.			trans	-78.5	136.8	-179.2	0	0	0	0	0	112.6	V718 C747	V718-G720 PolarHBondContact O-N 3.38Å; G720-C747 PolarHBondContact N-O 3.1Å
721	F	93.8	Very high	96.9	Very high	72 Å²	72	39.5 Å²	39.5	32%	0.316	21%	0.214	S	C	.	.			trans	-108.2	161.3	168.2	-72.5	-85.4	0	0	0	111.9	T662 T723 D724	T662-F721 HydrophobicContact CG2-CD2 4.41Å; T662-F721 HydrophobicContact CG2-CE2 3.57Å; T662-F721 HydrophobicContact CG2-CZ 4.44Å; F721-T723 PolarHBondContact O-N 3.43Å; F721-D724 WeakPolarHBondContact CB-OD2 3.38Å; F721-D724 PolarHBondContact N-OD2 3.39Å; F721-D724 WeakPolarHBondContact O-CB 3.46Å; F721-D724 PolarHBondContact O-N 3.29Å
722	K	91.6	Very high	97	Very high	218 Å²	218	38.5 Å²	38.5	95%	0.948	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.2	-179.5	-176.5	179.3	176.9	-174.8	0	113.9
723	T	93.5	Very high	97.1	Very high	51 Å²	51	39 Å²	39	31%	0.313	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.5	-177.6	49.2	0	0	0	0	113.7	V686 F721	V686-T723 HydrophobicContact CB-CG2 4.02Å; V686-T723 HydrophobicContact CG1-CG2 4.14Å; F721-T723 PolarHBondContact O-N 3.43Å
724	D	96.1	Very high	97.2	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.102	22%	0.222	C	C	.	.			trans	-78.6	133.7	-174.9	-58	-15.3	0	0	0	109.2	V663 F721 L729	V663-D724 HydrophobicContact CB-CB 4.35Å; V663-D724 HydrophobicContact CG2-CB 4.14Å; F721-D724 WeakPolarHBondContact CB-OD2 3.38Å; F721-D724 PolarHBondContact N-OD2 3.39Å; F721-D724 WeakPolarHBondContact O-CB 3.46Å; F721-D724 PolarHBondContact O-N 3.29Å; D724-L729 HydrophobicContact CB-CD2 4.24Å; D724-L729 HydrophobicContact CB-CG 4.28Å
725	T	97.4	Very high	97.2	Very high	43 Å²	43	42 Å²	42	26%	0.264	23%	0.227	S	C	.	.			trans	-84.4	157.3	176	75.8	0	0	0	0	110.9	E688 V727 E728 L729	E688-T725 HydrophobicContact CB-CG2 3.95Å; E688-T725 HydrophobicContact CG-CG2 4.32Å; E688-T725 VanDerWaalsContact OE2-CB 3.3Å; E688-T725 WeakPolarHBondContact OE2-CB 3.43Å; E688-T725 WeakPolarHBondContact OE2-CG2 3.38Å; E688-T725 PolarHBondContact OE2-OG1 2.87Å; T725-V727 PolarHBondContact O-N 2.7Å; T725-E728 PolarHBondContact N-OE2 2.86Å; T725-E728 PolarHBondContact O-N 2.78Å; T725-E728 WeakPolarHBondContact OG1-CG 3.42Å; T725-E728 PolarHBondContact OG1-N 3.17Å; T725-L729 WeakPolarHBondContact O-CG 3.39Å; T725-L729 PolarHBondContact O-N 2.67Å; T725-L729 VanDerWaalsContact O-N 3.12Å
726	Q	96.8	Very high	97.2	Very high	114 Å²	114	42 Å²	42	53%	0.533	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-35.3	175.5	-170.4	60	50.3	0	0	111.7	E728 L729 D730	Q726-E728 PolarHBondContact O-N 3.3Å; Q726-L729 PolarHBondContact O-N 2.79Å; Q726-D730 PolarHBondContact NE2-OD1 3.47Å; Q726-D730 WeakPolarHBondContact O-CB 3.27Å; Q726-D730 PolarHBondContact O-N 3.17Å
727	V	97.8	Very high	97.2	Very high	80 Å²	80	46.9 Å²	46.9	49%	0.485	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-41.1	178.5	-177.1	0	0	0	0	111.2	L690 T725 L731	L690-V727 HydrophobicContact CD1-CG1 3.94Å; L690-V727 HydrophobicContact CD2-CG1 3.98Å; T725-V727 PolarHBondContact O-N 2.7Å; V727-L731 VanDerWaalsContact O-CB 3.31Å; V727-L731 WeakPolarHBondContact O-CB 3.49Å; V727-L731 PolarHBondContact O-N 2.8Å
728	E	98.4	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-45.7	175.4	-73.6	-178.4	139.8	0	0	112.2	V663 K667 E688 N689 L690 L693 T725 Q726 L731 V732	V663-E728 HydrophobicContact CG1-CB 4.07Å; V663-E728 HydrophobicContact CG1-CG 4.38Å; V663-E728 HydrophobicContact CG2-CB 3.99Å; K667-E728 WeakPolarHBondContact CE-OE1 3.21Å; K667-E728 IonicContact NZ-OE1 3.9Å; K667-E728 PolarHBondContact NZ-OE1 2.91Å; K667-E728 IonicContact NZ-OE2 2.8Å; K667-E728 PolarHBondContact NZ-OE2 2.94Å; E688-E728 VanDerWaalsContact CA-OE1 3.26Å; E688-E728 WeakPolarHBondContact CA-OE1 3.38Å; E688-E728 HydrophobicContact CG-CG 3.95Å; N689-E728 PolarHBondContact N-OE1 2.99Å; L690-E728 HydrophobicContact CD2-CG 3.64Å; L693-E728 HydrophobicContact CD2-CB 3.6Å; L693-E728 HydrophobicContact CD2-CG 3.76Å; T725-E728 PolarHBondContact N-OE2 2.86Å; T725-E728 PolarHBondContact O-N 2.78Å; T725-E728 WeakPolarHBondContact OG1-CG 3.42Å; T725-E728 PolarHBondContact OG1-N 3.17Å; Q726-E728 PolarHBondContact O-N 3.3Å; E728-L731 WeakPolarHBondContact O-CB 3.48Å; E728-L731 PolarHBondContact O-N 3.28Å; E728-V732 WeakPolarHBondContact O-CG2 3.45Å; E728-V732 PolarHBondContact O-N 2.69Å
729	L	98	Very high	97.1	Very high	17 Å²	17	52.1 Å²	52.1	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-45.1	178.6	-68.3	173.7	0	0	0	112	V663 V718 D724 T725 Q726 L731 V732 C733	V663-L729 HydrophobicContact CG2-CD2 3.93Å; V718-L729 HydrophobicContact CG1-CD2 3.75Å; D724-L729 HydrophobicContact CB-CD2 4.24Å; D724-L729 HydrophobicContact CB-CG 4.28Å; T725-L729 WeakPolarHBondContact O-CG 3.39Å; T725-L729 PolarHBondContact O-N 2.67Å; T725-L729 VanDerWaalsContact O-N 3.12Å; Q726-L729 PolarHBondContact O-N 2.79Å; L729-L731 VanDerWaalsContact C-N 3.35Å; L729-V732 PolarHBondContact O-N 3.24Å; L729-C733 PolarHBondContact O-N 3.37Å; L729-C733 VanDerWaalsContact O-N 3.1Å; L729-C733 PolarHBondContact O-SG 2.95Å; L729-C733 VanDerWaalsContact O-SG 3.38Å
730	D	97.8	Very high	97	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-38.6	177.1	-69	-16	0	0	0	111.4	Q726 C733 S734	Q726-D730 PolarHBondContact NE2-OD1 3.47Å; Q726-D730 WeakPolarHBondContact O-CB 3.27Å; Q726-D730 PolarHBondContact O-N 3.17Å; D730-C733 PolarHBondContact O-N 3.26Å; D730-S734 WeakPolarHBondContact O-CB 3.12Å; D730-S734 PolarHBondContact O-N 3.37Å; D730-S734 PolarHBondContact O-OG 2.89Å
731	L	98.4	Very high	97.2	Very high	39 Å²	39	52 Å²	52	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-47.5	174.9	178.7	61.6	0	0	0	111.2	L690 L693 K694 V727 E728 L729 C733 S734 M735	L690-L731 HydrophobicContact CB-CD2 4.26Å; L690-L731 HydrophobicContact CD2-CD2 4.13Å; L693-L731 HydrophobicContact CD2-CD2 4.16Å; L693-L731 HydrophobicContact CG-CD2 4.34Å; K694-L731 HydrophobicContact CB-CD2 4.46Å; V727-L731 VanDerWaalsContact O-CB 3.31Å; V727-L731 WeakPolarHBondContact O-CB 3.49Å; V727-L731 PolarHBondContact O-N 2.8Å; E728-L731 WeakPolarHBondContact O-CB 3.48Å; E728-L731 PolarHBondContact O-N 3.28Å; L729-L731 VanDerWaalsContact C-N 3.35Å; L731-C733 PolarHBondContact O-N 2.91Å; L731-S734 PolarHBondContact O-N 3.46Å; L731-S734 PolarHBondContact O-OG 3.44Å; L731-M735 HydrophobicContact CD1-CG 4.02Å; L731-M735 HydrophobicContact CD1-SD 3.86Å; L731-M735 HydrophobicContact CG-CG 4.49Å; L731-M735 HydrophobicContact CG-SD 4.06Å; L731-M735 WeakPolarHBondContact O-CB 3.16Å; L731-M735 VanDerWaalsContact O-CG 3.3Å; L731-M735 WeakPolarHBondContact O-CG 3.12Å; L731-M735 PolarHBondContact O-N 3.06Å
732	V	98.6	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-45.7	177.2	178.6	0	0	0	0	111.2	V663 L666 L693 M700 V718 E728 L729 S734 M735 A736	V663-V732 HydrophobicContact CG2-CG2 4.4Å; L666-V732 HydrophobicContact CD1-CB 4.4Å; L666-V732 HydrophobicContact CD1-CG1 3.72Å; L666-V732 HydrophobicContact CD1-CG2 3.68Å; L693-V732 HydrophobicContact CD1-CG2 3.75Å; L693-V732 HydrophobicContact CD2-CG2 4.02Å; L693-V732 HydrophobicContact CG-CG2 4.12Å; M700-V732 HydrophobicContact CE-CG1 4.06Å; M700-V732 HydrophobicContact SD-CG1 3.78Å; V718-V732 HydrophobicContact CG1-CB 4.27Å; V718-V732 HydrophobicContact CG1-CG1 4.11Å; V718-V732 HydrophobicContact CG2-CB 4.2Å; V718-V732 HydrophobicContact CG2-CG1 3.57Å; E728-V732 WeakPolarHBondContact O-CG2 3.45Å; E728-V732 PolarHBondContact O-N 2.69Å; L729-V732 PolarHBondContact O-N 3.24Å; V732-S734 PolarHBondContact O-N 2.83Å; V732-M735 PolarHBondContact O-N 3.45Å; V732-A736 WeakPolarHBondContact O-CB 3.47Å; V732-A736 PolarHBondContact O-N 2.99Å
733	C	98.5	Very high	97.7	Very high	14 Å²	14	43.7 Å²	43.7	10%	0.095	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-44	179.5	-70	0	0	0	0	112	L729 D730 L731 A736 K737 A744 C746	L729-C733 PolarHBondContact O-N 3.37Å; L729-C733 VanDerWaalsContact O-N 3.1Å; L729-C733 PolarHBondContact O-SG 2.95Å; L729-C733 VanDerWaalsContact O-SG 3.38Å; D730-C733 PolarHBondContact O-N 3.26Å; L731-C733 PolarHBondContact O-N 2.91Å; C733-A736 PolarHBondContact O-N 3.41Å; C733-K737 WeakPolarHBondContact O-CG 3.23Å; C733-K737 PolarHBondContact O-N 3.41Å; C733-K737 VanDerWaalsContact O-N 3.12Å; C733-A744 HydrophobicContact CB-CB 3.99Å; C733-C746 PolarHBondContact SG-SG 3.47Å
734	S	98.4	Very high	98	Very high	64 Å²	64	41.6 Å²	41.6	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.7	177.8	72.6	0	0	0	0	111.8	D730 L731 V732 K737 A738	D730-S734 WeakPolarHBondContact O-CB 3.12Å; D730-S734 PolarHBondContact O-N 3.37Å; D730-S734 PolarHBondContact O-OG 2.89Å; L731-S734 PolarHBondContact O-N 3.46Å; L731-S734 PolarHBondContact O-OG 3.44Å; V732-S734 PolarHBondContact O-N 2.83Å; S734-K737 PolarHBondContact O-N 3.2Å; S734-A738 WeakPolarHBondContact O-CB 3.44Å; S734-A738 PolarHBondContact O-N 3.32Å
735	M	98.5	Very high	98.1	Very high	23 Å²	23	41.5 Å²	41.5	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-34.4	178.4	-69.1	-172.2	74.2	0	0	113.5	K694 C697 M700 L731 V732 A738 A739	K694-M735 HydrophobicContact CB-SD 4.33Å; K694-M735 HydrophobicContact CG-CE 3.83Å; K694-M735 HydrophobicContact CG-SD 3.95Å; C697-M735 HydrophobicContact CB-CB 4.35Å; C697-M735 HydrophobicContact CB-CE 3.43Å; C697-M735 VanDerWaalsContact CB-CE 3.43Å; C697-M735 HydrophobicContact CB-SD 3.71Å; M700-M735 HydrophobicContact CE-CB 4.28Å; L731-M735 HydrophobicContact CD1-CG 4.02Å; L731-M735 HydrophobicContact CD1-SD 3.86Å; L731-M735 HydrophobicContact CG-CG 4.49Å; L731-M735 HydrophobicContact CG-SD 4.06Å; L731-M735 WeakPolarHBondContact O-CB 3.16Å; L731-M735 VanDerWaalsContact O-CG 3.3Å; L731-M735 WeakPolarHBondContact O-CG 3.12Å; L731-M735 PolarHBondContact O-N 3.06Å; V732-M735 PolarHBondContact O-N 3.45Å; M735-A738 PolarHBondContact O-N 2.88Å; M735-A739 WeakPolarHBondContact O-CB 3.15Å; M735-A739 PolarHBondContact O-N 2.96Å
736	A	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-47.4	172.4	0	0	0	0	0	111.7	M700 I704 V716 V732 C733 A739 G740 A741 A744	M700-A736 HydrophobicContact CE-CB 3.79Å; M700-A736 HydrophobicContact SD-CB 4.07Å; I704-A736 HydrophobicContact CD1-CB 4.25Å; V716-A736 HydrophobicContact CB-CB 3.93Å; V716-A736 HydrophobicContact CG1-CB 4.15Å; V716-A736 HydrophobicContact CG2-CB 3.71Å; V732-A736 WeakPolarHBondContact O-CB 3.47Å; V732-A736 PolarHBondContact O-N 2.99Å; C733-A736 PolarHBondContact O-N 3.41Å; A736-A739 WeakPolarHBondContact O-CB 3.32Å; A736-A739 PolarHBondContact O-N 3.31Å; A736-G740 PolarHBondContact O-N 2.74Å; A736-A741 HydrophobicContact CB-CB 4.4Å; A736-A741 VanDerWaalsContact O-CB 3.31Å; A736-A741 WeakPolarHBondContact O-CB 3.4Å; A736-A741 PolarHBondContact O-N 3.02Å; A736-A744 HydrophobicContact CB-CB 3.72Å
737	K	98.4	Very high	98.1	Very high	103 Å²	103	36.6 Å²	36.6	45%	0.448	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-40.8	176.2	-69.5	177.8	-179	-170.4	0	111.6	C733 S734 A739 G740 D743 A744	C733-K737 WeakPolarHBondContact O-CG 3.23Å; C733-K737 PolarHBondContact O-N 3.41Å; C733-K737 VanDerWaalsContact O-N 3.12Å; S734-K737 PolarHBondContact O-N 3.2Å; K737-A739 VanDerWaalsContact C-N 3.31Å; K737-A739 PolarHBondContact O-N 3.46Å; K737-G740 WeakPolarHBondContact O-CA 3.27Å; K737-G740 PolarHBondContact O-N 3.46Å; K737-D743 WeakPolarHBondContact CE-OD1 3.49Å; K737-D743 IonicContact NZ-OD1 3.28Å; K737-D743 PolarHBondContact NZ-OD1 3.18Å; K737-A744 VanDerWaalsContact CE-N 3.31Å; K737-A744 HydrophobicContact CG-CB 4.15Å
738	A	98.1	Very high	98.1	Very high	89 Å²	89	34.9 Å²	34.9	74%	0.736	22%	0.215	S	C	*	.	H	α-helix	trans	-65.6	-30.7	174.8	0	0	0	0	0	113.3	S734 M735 G740	S734-A738 WeakPolarHBondContact O-CB 3.44Å; S734-A738 PolarHBondContact O-N 3.32Å; M735-A738 PolarHBondContact O-N 2.88Å; A738-G740 PolarHBondContact O-N 2.68Å
739	A	97.8	Very high	98.1	Very high	21 Å²	21	35 Å²	35	17%	0.174	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.2	168.8	0	0	0	0	0	112.9	R701 I704 K708 M735 A736 K737	R701-A739 HydrophobicContact CB-CB 4.14Å; R701-A739 HydrophobicContact CG-CB 3.8Å; I704-A739 HydrophobicContact CD1-CB 3.76Å; K708-A739 PolarHBondContact NZ-O 2.72Å; M735-A739 WeakPolarHBondContact O-CB 3.15Å; M735-A739 PolarHBondContact O-N 2.96Å; A736-A739 WeakPolarHBondContact O-CB 3.32Å; A736-A739 PolarHBondContact O-N 3.31Å; K737-A739 VanDerWaalsContact C-N 3.31Å; K737-A739 PolarHBondContact O-N 3.46Å
740	G	96.8	Very high	98.1	Very high	33 Å²	33	39.9 Å²	39.9	34%	0.34	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	33.4	177.4	0	0	0	0	0	113.9	K708 A736 K737 A738	K708-G740 WeakPolarHBondContact CE-O 3.35Å; K708-G740 VanDerWaalsContact NZ-C 3.32Å; K708-G740 PolarHBondContact NZ-O 3.25Å; A736-G740 PolarHBondContact O-N 2.74Å; K737-G740 WeakPolarHBondContact O-CA 3.27Å; K737-G740 PolarHBondContact O-N 3.46Å; A738-G740 PolarHBondContact O-N 2.68Å
741	A	98.1	Very high	98	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	22%	0.224	C	C	.	.			trans	-59.6	145.9	154.8	0	0	0	0	0	109.5	I704 V714 V716 A736 D743	I704-A741 HydrophobicContact CD1-CB 4.2Å; V714-A741 CarbonylContact O-C 3.53Å; V716-A741 HydrophobicContact CG2-CB 3.86Å; A736-A741 HydrophobicContact CB-CB 4.4Å; A736-A741 VanDerWaalsContact O-CB 3.31Å; A736-A741 WeakPolarHBondContact O-CB 3.4Å; A736-A741 PolarHBondContact O-N 3.02Å; A741-D743 VanDerWaalsContact C-N 3.33Å
742	F	98.1	Very high	98	Very high	94 Å²	94	38.8 Å²	38.8	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	-61.8	-43.2	175.3	-178.5	-89.3	0	0	0	111	P713 V714 V715 R766 A767 A770	P713-F742 HydrophobicContact CB-CB 4.47Å; V714-F742 WeakPolarHBondContact O-CB 3.47Å; V714-F742 PolarHBondContact O-N 2.97Å; V715-F742 HydrophobicContact CG2-CD1 4.4Å; F742-R766 HydrophobicContact CE1-CB 3.97Å; F742-R766 HydrophobicContact CZ-CB 4.25Å; F742-A767 HydrophobicContact CD1-CB 3.6Å; F742-A767 HydrophobicContact CE1-CB 3.81Å; F742-A767 HydrophobicContact CG-CB 4.09Å; F742-A767 HydrophobicContact CZ-CB 4.44Å; F742-A770 HydrophobicContact CD2-CB 4.42Å; F742-A770 HydrophobicContact CE2-CB 3.88Å
743	D	98.4	Very high	97.9	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.9	173	-149.7	-14.8	0	0	0	110.3	V715 V716 K737 A741 A763 R766	V715-D743 WeakPolarHBondContact CA-O 3.45Å; V715-D743 HydrophobicContact CG1-CB 4.39Å; V716-D743 PolarHBondContact N-O 3.33Å; K737-D743 WeakPolarHBondContact CE-OD1 3.49Å; K737-D743 IonicContact NZ-OD1 3.28Å; K737-D743 PolarHBondContact NZ-OD1 3.18Å; A741-D743 VanDerWaalsContact C-N 3.33Å; D743-A763 HydrophobicContact CB-CB 4.07Å; D743-R766 IonicContact OD2-CZ 3.4Å; D743-R766 IonicContact OD2-NH2 3.47Å; D743-R766 PolarHBondContact OD2-NH2 3.02Å
744	A	98.6	Very high	97.9	Very high	7 Å²	7	38.1 Å²	38.1	6%	0.058	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	130.4	174.8	0	0	0	0	0	109.8	V716 C733 A736 K737	V716-A744 HydrophobicContact CB-CB 3.96Å; V716-A744 CarbonylContact O-C 3.51Å; V716-A744 VanDerWaalsContact O-CA 3.29Å; V716-A744 WeakPolarHBondContact O-CA 3.31Å; C733-A744 HydrophobicContact CB-CB 3.99Å; A736-A744 HydrophobicContact CB-CB 3.72Å; K737-A744 VanDerWaalsContact CE-N 3.31Å; K737-A744 HydrophobicContact CG-CB 4.15Å
745	V	98.2	Very high	97.9	Very high	17 Å²	17	37.5 Å²	37.5	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132	-167.9	-174.6	0	0	0	0	111	V716 V718 C747 A759 L760 A763	V716-V745 PolarHBondContact O-N 2.76Å; V718-V745 PolarHBondContact N-O 3.43Å; V745-C747 PolarHBondContact O-SG 3.32Å; V745-C747 VanDerWaalsContact O-SG 3.35Å; V745-A759 HydrophobicContact CG1-CB 3.59Å; V745-L760 HydrophobicContact CB-CD1 4.48Å; V745-L760 HydrophobicContact CG1-CB 4.37Å; V745-A763 HydrophobicContact CG2-CB 3.89Å
746	C	97.6	Very high	97.9	Very high	47 Å²	47	36.8 Å²	36.8	32%	0.318	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	134.6	169.7	-61	0	0	0	0	110.2	V718 C733	V718-C746 CarbonylContact O-C 3.56Å; V718-C746 WeakPolarHBondContact O-CA 3.25Å; C733-C746 PolarHBondContact SG-SG 3.47Å
747	C	98.1	Very high	97.9	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.4	-172.5	-51	0	0	0	0	111.5	V718 G720 V745 H749	V718-C747 PolarHBondContact O-N 3.15Å; G720-C747 PolarHBondContact N-O 3.1Å; V745-C747 PolarHBondContact O-SG 3.32Å; V745-C747 VanDerWaalsContact O-SG 3.35Å; C747-H749 WeakPolarHBondContact CB-CE1 3.44Å; C747-H749 WeakPolarHBondContact CB-ND1 3.43Å
748	S	97.5	Very high	97.9	Very high	44 Å²	44	33.6 Å²	33.6	31%	0.308	21%	0.211	S	C	.	.			trans	-120.8	12.2	-178.4	54.8	0	0	0	0	112.9	W750 A751 E752 G756	S748-W750 PolarHBondContact O-N 3.37Å; S748-W750 VanDerWaalsContact O-N 3.11Å; S748-A751 PolarHBondContact O-N 3.1Å; S748-E752 WeakPolarHBondContact CB-OE2 3.46Å; S748-E752 PolarHBondContact O-N 3.45Å; S748-E752 PolarHBondContact OG-OE2 2.88Å; S748-G756 PolarHBondContact N-O 2.98Å; S748-G756 WeakPolarHBondContact OG-CA 3.28Å
749	H	97.8	Very high	97.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-20.4	-172.5	53.6	-86.4	0	0	0	115.3	T350 T351 S392 N719 C747 A751 G753 A757	T350-H749 PolarHBondContact O-CD2 3.05Å; T351-H749 VanDerWaalsContact CA-NE2 3.29Å; T351-H749 WeakPolarHBondContact CA-NE2 3.31Å; T351-H749 PolarHBondContact N-NE2 2.8Å; T351-H749 PolarHBondContact OG1-NE2 3.38Å; S392-H749 WeakPolarHBondContact OG-CB 3.29Å; S392-H749 PolarHBondContact OG-O 2.96Å; N719-H749 PolarHBondContact OD1-CE1 3.39Å; C747-H749 WeakPolarHBondContact CB-CE1 3.44Å; C747-H749 WeakPolarHBondContact CB-ND1 3.43Å; H749-A751 VanDerWaalsContact C-N 3.29Å; H749-A751 PolarHBondContact O-N 3.1Å; H749-G753 WeakPolarHBondContact CA-O 3.44Å; H749-G753 WeakPolarHBondContact CB-O 3.4Å; H749-G753 VanDerWaalsContact O-CA 3.29Å; H749-G753 WeakPolarHBondContact O-CA 3.01Å; H749-G753 PolarHBondContact O-N 3.28Å; H749-A757 HydrophobicContact CB-CB 3.85Å
750	W	97.2	Very high	98	Very high	120 Å²	120	30.7 Å²	30.7	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-60.2	-41.2	168.5	179.7	85.9	0	0	0	111.4	V278 T350 G389 G390 Y391 S748	V278-W750 HydrophobicContact CB-CH2 3.54Å; V278-W750 HydrophobicContact CB-CZ2 4.37Å; V278-W750 HydrophobicContact CB-CZ3 3.7Å; V278-W750 HydrophobicContact CG1-CE3 4.49Å; V278-W750 HydrophobicContact CG1-CH2 3.58Å; V278-W750 HydrophobicContact CG1-CZ2 3.92Å; V278-W750 HydrophobicContact CG1-CZ3 3.9Å; V278-W750 HydrophobicContact CG2-CE3 4.33Å; V278-W750 HydrophobicContact CG2-CH2 4.03Å; V278-W750 HydrophobicContact CG2-CZ3 3.62Å; T350-W750 HydrophobicContact CG2-CB 4.12Å; G389-W750 VanDerWaalsContact C-CD1 3.41Å; G390-W750 CarbonylContact C-O 3.54Å; G390-W750 VanDerWaalsContact CA-O 3.31Å; G390-W750 WeakPolarHBondContact CA-O 3.42Å; Y391-W750 PolarHBondContact N-O 2.95Å; S748-W750 PolarHBondContact O-N 3.37Å; S748-W750 VanDerWaalsContact O-N 3.11Å
751	A	97	Very high	98.1	Very high	30 Å²	30	29.1 Å²	29.1	25%	0.248	17%	0.172	C	C	.	.	H	α-helix	trans	-92.2	-23.5	179.5	0	0	0	0	0	113.6	V278 Y391 S748 H749	V278-A751 HydrophobicContact CG2-CB 3.97Å; Y391-A751 VanDerWaalsContact CD2-O 3.24Å; Y391-A751 WeakPolarHBondContact CD2-O 3.31Å; S748-A751 PolarHBondContact O-N 3.1Å; H749-A751 VanDerWaalsContact C-N 3.29Å; H749-A751 PolarHBondContact O-N 3.1Å
752	E	97.5	Very high	98.1	Very high	70 Å²	70	32.8 Å²	32.8	33%	0.327	19%	0.187	S	C	.	.	H	α-helix	trans	-123	2.5	-167.2	-62.1	179.9	167.6	0	0	114.2	L274 S748	L274-E752 HydrophobicContact CD1-CB 4.42Å; S748-E752 WeakPolarHBondContact CB-OE2 3.46Å; S748-E752 PolarHBondContact O-N 3.45Å; S748-E752 PolarHBondContact OG-OE2 2.88Å
753	G	97.5	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	62.4	-146.9	-176.5	0	0	0	0	0	112.3	H749 A755 G756	H749-G753 WeakPolarHBondContact CA-O 3.44Å; H749-G753 WeakPolarHBondContact CB-O 3.4Å; H749-G753 VanDerWaalsContact O-CA 3.29Å; H749-G753 WeakPolarHBondContact O-CA 3.01Å; H749-G753 PolarHBondContact O-N 3.28Å; G753-A755 PolarHBondContact O-N 3.1Å; G753-A755 VanDerWaalsContact O-N 3.15Å; G753-G756 PolarHBondContact O-N 3.46Å; G753-G756 VanDerWaalsContact O-N 3.11Å
754	G	98	Very high	98.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30.1	-178.9	0	0	0	0	0	114.4	A358 H362 E590 G756 A757 V758	A358-G754 WeakPolarHBondContact CB-O 3.45Å; H362-G754 VanDerWaalsContact CD2-C 3.41Å; E590-G754 PolarHBondContact OE2-N 3.01Å; G754-G756 PolarHBondContact O-N 3.43Å; G754-A757 PolarHBondContact O-N 3.26Å; G754-V758 PolarHBondContact O-N 3.48Å
755	A	98.3	Very high	98.1	Very high	50 Å²	50	30.1 Å²	30.1	41%	0.413	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-59.2	-38	178.6	0	0	0	0	0	111.8	H362 G753 A757 V758	H362-A755 PolarHBondContact NE2-N 3.3Å; G753-A755 PolarHBondContact O-N 3.1Å; G753-A755 VanDerWaalsContact O-N 3.15Å; A755-A757 PolarHBondContact O-N 3.45Å; A755-V758 WeakPolarHBondContact O-CG2 3.42Å; A755-V758 PolarHBondContact O-N 2.87Å
756	G	98.2	Very high	98.1	Very high	9 Å²	9	34.7 Å²	34.7	9%	0.093	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-74.6	-1.9	179.1	0	0	0	0	0	115.3	S748 G753 G754	S748-G756 PolarHBondContact N-O 2.98Å; S748-G756 WeakPolarHBondContact OG-CA 3.28Å; G753-G756 PolarHBondContact O-N 3.46Å; G753-G756 VanDerWaalsContact O-N 3.11Å; G754-G756 PolarHBondContact O-N 3.43Å
757	A	98.5	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-124.4	10.6	177.4	0	0	0	0	0	113.3	A358 H749 G754 A755 A759 L760 G761	A358-A757 VanDerWaalsContact CB-C 3.46Å; A358-A757 HydrophobicContact CB-CB 3.89Å; A358-A757 WeakPolarHBondContact CB-O 3.5Å; H749-A757 HydrophobicContact CB-CB 3.85Å; G754-A757 PolarHBondContact O-N 3.26Å; A755-A757 PolarHBondContact O-N 3.45Å; A757-A759 VanDerWaalsContact C-N 3.34Å; A757-A759 PolarHBondContact O-N 3.43Å; A757-L760 WeakPolarHBondContact O-CB 3.41Å; A757-L760 PolarHBondContact O-N 3.43Å; A757-L760 VanDerWaalsContact O-N 3.1Å; A757-G761 PolarHBondContact O-N 2.96Å
758	V	98.8	Very high	98.1	Very high	34 Å²	34	32.5 Å²	32.5	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-44.6	179.6	173.1	0	0	0	0	112	H362 L363 G754 A755 L760 G761 Q762	H362-V758 HydrophobicContact CB-CG2 3.65Å; L363-V758 HydrophobicContact CD2-CG1 4.07Å; G754-V758 PolarHBondContact O-N 3.48Å; A755-V758 WeakPolarHBondContact O-CG2 3.42Å; A755-V758 PolarHBondContact O-N 2.87Å; V758-L760 VanDerWaalsContact C-N 3.27Å; V758-L760 PolarHBondContact O-N 3.08Å; V758-G761 PolarHBondContact O-N 3.01Å; V758-G761 VanDerWaalsContact O-N 3.16Å; V758-Q762 WeakPolarHBondContact O-CG 3.43Å; V758-Q762 PolarHBondContact O-N 3.41Å
759	A	98.6	Very high	98.1	Very high	50 Å²	50	37.2 Å²	37.2	41%	0.413	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-36.3	177.5	0	0	0	0	0	112	V745 A757 Q762 A763	V745-A759 HydrophobicContact CG1-CB 3.59Å; A757-A759 VanDerWaalsContact C-N 3.34Å; A757-A759 PolarHBondContact O-N 3.43Å; A759-Q762 PolarHBondContact O-N 2.69Å; A759-A763 WeakPolarHBondContact O-CB 3.28Å; A759-A763 PolarHBondContact O-N 3.47Å
760	L	98.8	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-44.4	174.2	179.2	65.9	0	0	0	110.7	T351 L355 V658 V715 A717 V745 A757 V758 Q762 A763 V764	T351-L760 HydrophobicContact CG2-CD2 3.74Å; L355-L760 HydrophobicContact CB-CD2 4.4Å; L355-L760 HydrophobicContact CD1-CD2 4.28Å; L355-L760 HydrophobicContact CD1-CG 4.09Å; V658-L760 HydrophobicContact CG1-CD1 4.31Å; V658-L760 HydrophobicContact CG1-CD2 4.37Å; V715-L760 HydrophobicContact CG1-CD1 3.63Å; A717-L760 HydrophobicContact CB-CD1 3.96Å; A717-L760 HydrophobicContact CB-CD2 3.85Å; V745-L760 HydrophobicContact CB-CD1 4.48Å; V745-L760 HydrophobicContact CG1-CB 4.37Å; A757-L760 WeakPolarHBondContact O-CB 3.41Å; A757-L760 PolarHBondContact O-N 3.43Å; A757-L760 VanDerWaalsContact O-N 3.1Å; V758-L760 VanDerWaalsContact C-N 3.27Å; V758-L760 PolarHBondContact O-N 3.08Å; L760-Q762 VanDerWaalsContact C-N 3.33Å; L760-Q762 PolarHBondContact O-N 2.98Å; L760-A763 PolarHBondContact O-N 3.01Å; L760-V764 HydrophobicContact CD1-CG2 4.39Å; L760-V764 HydrophobicContact CG-CG2 4.49Å; L760-V764 WeakPolarHBondContact O-CG2 3.16Å; L760-V764 PolarHBondContact O-N 3.01Å
761	G	98.8	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-45.1	174.9	0	0	0	0	0	112.8	A757 V758 V764 Q765	A757-G761 PolarHBondContact O-N 2.96Å; V758-G761 PolarHBondContact O-N 3.01Å; V758-G761 VanDerWaalsContact O-N 3.16Å; G761-V764 PolarHBondContact O-N 2.82Å; G761-Q765 PolarHBondContact O-N 2.64Å
762	Q	98.8	Very high	96.9	Very high	86 Å²	86	40 Å²	40	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-40.1	175.9	-68.9	172.9	-14.5	0	0	112.5	L363 V758 A759 L760 Q765 R766	L363-Q762 HydrophobicContact CD1-CG 4.22Å; L363-Q762 HydrophobicContact CD2-CG 4.18Å; V758-Q762 WeakPolarHBondContact O-CG 3.43Å; V758-Q762 PolarHBondContact O-N 3.41Å; A759-Q762 PolarHBondContact O-N 2.69Å; L760-Q762 VanDerWaalsContact C-N 3.33Å; L760-Q762 PolarHBondContact O-N 2.98Å; Q762-Q765 PolarHBondContact O-N 3.27Å; Q762-R766 WeakPolarHBondContact O-CG 3.27Å; Q762-R766 PolarHBondContact O-N 3.47Å; Q762-R766 VanDerWaalsContact O-N 3.09Å; Q762-R766 PolarHBondContact O-NH1 3.16Å
763	A	98.8	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-41.3	176.1	0	0	0	0	0	111.9	V715 D743 V745 A759 L760 R766 A767	V715-A763 HydrophobicContact CG1-CB 3.87Å; D743-A763 HydrophobicContact CB-CB 4.07Å; V745-A763 HydrophobicContact CG2-CB 3.89Å; A759-A763 WeakPolarHBondContact O-CB 3.28Å; A759-A763 PolarHBondContact O-N 3.47Å; L760-A763 PolarHBondContact O-N 3.01Å; A763-R766 PolarHBondContact O-N 3.05Å; A763-A767 VanDerWaalsContact O-CB 3.32Å; A763-A767 WeakPolarHBondContact O-CB 3.09Å; A763-A767 PolarHBondContact O-N 3.49Å
764	V	98.8	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-42.7	174.9	168.7	0	0	0	0	111.3	V334 L355 F626 V656 V658 L760 G761 A767 S768	V334-V764 HydrophobicContact CG1-CG1 4.22Å; V334-V764 HydrophobicContact CG2-CG1 3.79Å; L355-V764 HydrophobicContact CD1-CG2 4.21Å; L355-V764 HydrophobicContact CD2-CG2 4.14Å; F626-V764 HydrophobicContact CD1-CG1 4.43Å; F626-V764 HydrophobicContact CE1-CG1 4.31Å; V656-V764 HydrophobicContact CG1-CG1 4.44Å; V656-V764 HydrophobicContact CG1-CG2 4.41Å; V656-V764 HydrophobicContact CG2-CG1 4.43Å; V658-V764 HydrophobicContact CG2-CG2 3.62Å; L760-V764 HydrophobicContact CD1-CG2 4.39Å; L760-V764 HydrophobicContact CG-CG2 4.49Å; L760-V764 WeakPolarHBondContact O-CG2 3.16Å; L760-V764 PolarHBondContact O-N 3.01Å; G761-V764 PolarHBondContact O-N 2.82Å; V764-A767 PolarHBondContact O-N 3.18Å; V764-S768 WeakPolarHBondContact O-CB 3.27Å; V764-S768 PolarHBondContact O-N 3.46Å
765	Q	98.3	Very high	96.6	Very high	66 Å²	66	48 Å²	48	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-51.5	176	-175.3	176.8	-3.4	0	0	111	F626 G761 Q762 A767 S768	F626-Q765 HydrophobicContact CZ-CB 4.31Å; F626-Q765 HydrophobicContact CZ-CG 4.21Å; G761-Q765 PolarHBondContact O-N 2.64Å; Q762-Q765 PolarHBondContact O-N 3.27Å; Q765-A767 VanDerWaalsContact C-N 3.34Å; Q765-A767 PolarHBondContact O-N 3.04Å; Q765-S768 PolarHBondContact O-N 2.92Å; Q765-S768 VanDerWaalsContact O-N 3.16Å; Q765-S768 PolarHBondContact O-OG 3.45Å
766	R	98.2	Very high	96.6	Very high	113 Å²	113	49.3 Å²	49.3	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-42.9	175.8	-68.5	-170.3	-59.2	-88.5	4	112.7	F742 D743 Q762 A763 S768 E769	F742-R766 HydrophobicContact CE1-CB 3.97Å; F742-R766 HydrophobicContact CZ-CB 4.25Å; D743-R766 IonicContact OD2-CZ 3.4Å; D743-R766 IonicContact OD2-NH2 3.47Å; D743-R766 PolarHBondContact OD2-NH2 3.02Å; Q762-R766 WeakPolarHBondContact O-CG 3.27Å; Q762-R766 PolarHBondContact O-N 3.47Å; Q762-R766 VanDerWaalsContact O-N 3.09Å; Q762-R766 PolarHBondContact O-NH1 3.16Å; A763-R766 PolarHBondContact O-N 3.05Å; R766-S768 VanDerWaalsContact C-N 3.26Å; R766-S768 PolarHBondContact O-N 3.12Å; R766-E769 PolarHBondContact O-N 3.3Å
767	A	98	Very high	96.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-31.8	179.4	0	0	0	0	0	112.2	V656 P713 V715 F742 A763 V764 Q765 E769 A770	V656-A767 HydrophobicContact CG1-CB 4Å; V656-A767 HydrophobicContact CG2-CB 3.8Å; P713-A767 HydrophobicContact CB-CB 4.32Å; V715-A767 HydrophobicContact CG2-CB 3.65Å; F742-A767 HydrophobicContact CD1-CB 3.6Å; F742-A767 HydrophobicContact CE1-CB 3.81Å; F742-A767 HydrophobicContact CG-CB 4.09Å; F742-A767 HydrophobicContact CZ-CB 4.44Å; A763-A767 VanDerWaalsContact O-CB 3.32Å; A763-A767 WeakPolarHBondContact O-CB 3.09Å; A763-A767 PolarHBondContact O-N 3.49Å; V764-A767 PolarHBondContact O-N 3.18Å; Q765-A767 VanDerWaalsContact C-N 3.34Å; Q765-A767 PolarHBondContact O-N 3.04Å; A767-E769 PolarHBondContact O-N 3.46Å; A767-A770 WeakPolarHBondContact O-CB 3.5Å; A767-A770 PolarHBondContact O-N 3.43Å
768	S	97.3	Very high	96.5	Very high	8 Å²	8	50 Å²	50	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-72.1	-16.1	-179.6	77.9	0	0	0	0	114.3	V764 Q765 R766	V764-S768 WeakPolarHBondContact O-CB 3.27Å; V764-S768 PolarHBondContact O-N 3.46Å; Q765-S768 PolarHBondContact O-N 2.92Å; Q765-S768 VanDerWaalsContact O-N 3.16Å; Q765-S768 PolarHBondContact O-OG 3.45Å; R766-S768 VanDerWaalsContact C-N 3.26Å; R766-S768 PolarHBondContact O-N 3.12Å
769	E	96.3	Very high	96.5	Very high	142 Å²	142	52.9 Å²	52.9	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-90.9	-14.4	174.6	-64.6	170.3	-175.1	0	0	112	R766 A767	R766-E769 PolarHBondContact O-N 3.3Å; A767-E769 PolarHBondContact O-N 3.46Å
770	A	92.4	Very high	96.5	Very high	27 Å²	27	52.5 Å²	52.5	22%	0.223	27%	0.268	C	S	.	.	S	Bend	trans	-70.5	147.2	178.6	0	0	0	0	0	111.3	P713 F742 A767 S772	P713-A770 HydrophobicContact CG-CB 4.15Å; F742-A770 HydrophobicContact CD2-CB 4.42Å; F742-A770 HydrophobicContact CE2-CB 3.88Å; A767-A770 WeakPolarHBondContact O-CB 3.5Å; A767-A770 PolarHBondContact O-N 3.43Å; A770-S772 PolarHBondContact O-N 2.93Å
771	P	87.3	Confident	96.4	Very high	130 Å²	130	58.1 Å²	58.1	84%	0.844	30%	0.298	S	S	*	.			trans	-56.8	136.1	172.6	-23.2	33.2	0	0	0	111.6
772	S	87.9	Confident	96.4	Very high	53 Å²	53	61 Å²	61	37%	0.371	31%	0.313	S	S	.	.			trans	-124.6	132.8	176.3	175.2	0	0	0	0	109.5	G711 A770	G711-S772 PolarHBondContact O-OG 3.24Å; A770-S772 PolarHBondContact O-N 2.93Å
773	D	91.8	Very high	96.4	Very high	111 Å²	111	60.2 Å²	60.2	59%	0.594	32%	0.315	S	S	*	.			trans	-108.6	60.9	175.4	-179.3	39.1	0	0	0	109.2	G711 K775	G711-D773 PolarHBondContact O-N 2.98Å; G711-D773 VanDerWaalsContact O-N 3.1Å; D773-K775 PolarHBondContact O-N 3.01Å; D773-K775 IonicContact OD2-NZ 3.59Å
774	F	97.1	Very high	96.4	Very high	24 Å²	24	60.3 Å²	60.3	11%	0.105	32%	0.316	C	S	.	.			trans	-60.1	121.5	-175.2	178.7	-104.8	0	0	0	111.7	F643 C647 R653 P654 F710 V712 F776	F643-F774 HydrophobicContact CB-CE2 4.14Å; F643-F774 HydrophobicContact CB-CZ 4.28Å; F643-F774 AromaticContact CD1-CE2 3.78Å; F643-F774 HydrophobicContact CD1-CE2 3.78Å; F643-F774 HydrophobicContact CD1-CZ 4.37Å; F643-F774 HydrophobicContact CE1-CE2 4.4Å; F643-F774 AromaticContact CG-CE2 3.97Å; F643-F774 HydrophobicContact CG-CE2 3.97Å; C647-F774 HydrophobicContact CB-CE1 4.4Å; C647-F774 HydrophobicContact CB-CZ 3.94Å; R653-F774 HydrophobicContact CB-CD1 4.41Å; R653-F774 HydrophobicContact CG-CD1 3.95Å; R653-F774 HydrophobicContact CG-CE1 4.49Å; P654-F774 HydrophobicContact CG-CD2 4.13Å; P654-F774 HydrophobicContact CG-CE2 3.99Å; F710-F774 HydrophobicContact CB-CE2 4.44Å; F710-F774 VanDerWaalsContact O-CA 3.25Å; F710-F774 WeakPolarHBondContact O-CA 3.42Å; V712-F774 HydrophobicContact CG2-CD2 3.73Å; V712-F774 HydrophobicContact CG2-CE2 4.48Å; F774-F776 HydrophobicContact CE1-CD1 4.21Å; F774-F776 AromaticContact CE1-CE1 3.66Å; F774-F776 HydrophobicContact CE1-CE1 3.66Å; F774-F776 AromaticContact CE1-CZ 3.98Å; F774-F776 HydrophobicContact CE1-CZ 3.98Å; F774-F776 HydrophobicContact CZ-CD1 4.05Å; F774-F776 AromaticContact CZ-CE1 3.72Å; F774-F776 HydrophobicContact CZ-CE1 3.72Å; F774-F776 HydrophobicContact CZ-CZ 4.49Å
775	K	96.9	Very high	96.3	Very high	105 Å²	105	61.5 Å²	61.5	46%	0.457	32%	0.324	S	S	.	.			trans	-140.5	151.5	177.2	64.9	-169.5	171.8	-158	0	112	H709 F710 D773	H709-K775 WeakPolarHBondContact O-CE 3.26Å; F710-K775 VanDerWaalsContact CD1-O 3.27Å; F710-K775 WeakPolarHBondContact CD1-O 3.43Å; F710-K775 PolarHBondContact O-N 3.34Å; F710-K775 VanDerWaalsContact O-N 3.14Å; D773-K775 PolarHBondContact O-N 3.01Å; D773-K775 IonicContact OD2-NZ 3.59Å
776	F	98.3	Very high	96.3	Very high	76 Å²	76	61 Å²	61	33%	0.333	32%	0.323	S	S	.	.			trans	-77.3	156.7	172.3	-56.8	-61	0	0	0	111.3	F643 C647 R648 F774 Y778	F643-F776 WeakPolarHBondContact O-CD1 3.33Å; F643-F776 VanDerWaalsContact O-CE1 3.27Å; F643-F776 WeakPolarHBondContact O-CE1 3.31Å; C647-F776 HydrophobicContact CB-CE1 4.41Å; R648-F776 HydrophobicContact CB-CD1 4.44Å; R648-F776 HydrophobicContact CB-CE1 3.76Å; R648-F776 HydrophobicContact CB-CZ 3.84Å; R648-F776 HydrophobicContact CG-CE1 4.3Å; R648-F776 HydrophobicContact CG-CE2 4.27Å; R648-F776 HydrophobicContact CG-CZ 4.01Å; R648-F776 VanDerWaalsContact NH2-CB 3.25Å; F774-F776 HydrophobicContact CE1-CD1 4.21Å; F774-F776 AromaticContact CE1-CE1 3.66Å; F774-F776 HydrophobicContact CE1-CE1 3.66Å; F774-F776 AromaticContact CE1-CZ 3.98Å; F774-F776 HydrophobicContact CE1-CZ 3.98Å; F774-F776 HydrophobicContact CZ-CD1 4.05Å; F774-F776 AromaticContact CZ-CE1 3.72Å; F774-F776 HydrophobicContact CZ-CE1 3.72Å; F774-F776 HydrophobicContact CZ-CZ 4.49Å; F776-Y778 VanDerWaalsContact C-N 3.33Å; F776-Y778 PolarHBondContact O-N 2.64Å
777	L	98.1	Very high	96.4	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.068	30%	0.303	C	S	.	.	S	Bend	trans	-72.3	-29.1	-175.5	-170.4	69.3	0	0	0	113	N644 H709 F710 I790 I791 K794 I795	N644-L777 WeakPolarHBondContact ND2-CB 3.48Å; N644-L777 PolarHBondContact OD1-N 2.77Å; H709-L777 HydrophobicContact CB-CD1 4.06Å; F710-L777 HydrophobicContact CE1-CB 3.88Å; F710-L777 HydrophobicContact CZ-CB 4Å; F710-L777 HydrophobicContact CZ-CD1 4.48Å; L777-I790 HydrophobicContact CD2-CG2 4.07Å; L777-I790 HydrophobicContact CG-CG2 3.81Å; L777-I791 HydrophobicContact CD2-CG1 4Å; L777-K794 HydrophobicContact CD1-CB 4.19Å; L777-K794 HydrophobicContact CD1-CD 3.77Å; L777-K794 HydrophobicContact CG-CD 4.43Å; L777-I795 HydrophobicContact CD1-CD1 4.17Å; L777-I795 HydrophobicContact CD2-CD1 3.92Å; L777-I795 HydrophobicContact CD2-CG1 3.58Å
778	Y	98.4	Very high	96.4	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-150	157.3	-176.4	54.9	-97.5	0	0	0	111.8	N644 R648 F776 L780 K787 I790 I791 I824	N644-Y778 HydrophobicContact CB-CE1 4.2Å; R648-Y778 PolarHBondContact NH2-O 3.36Å; F776-Y778 VanDerWaalsContact C-N 3.33Å; F776-Y778 PolarHBondContact O-N 2.64Å; Y778-L780 HydrophobicContact CE2-CD2 4.31Å; Y778-K787 HydrophobicContact CD2-CB 4.12Å; Y778-K787 HydrophobicContact CD2-CD 3.65Å; Y778-K787 HydrophobicContact CD2-CG 3.65Å; Y778-K787 HydrophobicContact CE2-CB 4.25Å; Y778-K787 HydrophobicContact CE2-CD 3.74Å; Y778-K787 HydrophobicContact CE2-CG 4.08Å; Y778-K787 HydrophobicContact CG-CB 4.38Å; Y778-K787 HydrophobicContact CG-CG 4.16Å; Y778-I790 HydrophobicContact CD1-CG2 4.46Å; Y778-I791 HydrophobicContact CD1-CG1 4.15Å; Y778-I791 HydrophobicContact CE1-CD1 3.68Å; Y778-I791 HydrophobicContact CE1-CG1 3.72Å; Y778-I824 PolarHBondContact OH-N 2.89Å; Y778-I824 PolarHBondContact OH-O 2.82Å
779	D	98.1	Very high	96.4	Very high	95 Å²	95	58.3 Å²	58.3	51%	0.508	31%	0.312	S	S	.	.			trans	-79.6	147.7	169.5	-158.9	-55.6	0	0	0	110.6	D781 L782	D779-D781 VanDerWaalsContact C-N 3.33Å; D779-D781 PolarHBondContact OD1-N 3.41Å; D779-L782 HydrophobicContact CB-CD1 4.48Å; D779-L782 HydrophobicContact CB-CG 4.26Å
780	L	98.1	Very high	96.6	Very high	41 Å²	41	53 Å²	53	22%	0.215	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.9	177.8	-69.5	-172.6	0	0	0	113.1	Y778 L782 K787 N821 P823	Y778-L780 HydrophobicContact CE2-CD2 4.31Å; L780-L782 PolarHBondContact O-N 2.58Å; L780-K787 PolarHBondContact O-NZ 3.45Å; L780-K787 VanDerWaalsContact O-NZ 3.1Å; L780-N821 WeakPolarHBondContact CB-O 3.4Å; L780-N821 WeakPolarHBondContact O-CA 3.48Å; L780-P823 HydrophobicContact CD2-CB 4.42Å; L780-P823 HydrophobicContact CD2-CG 3.94Å
781	D	97.7	Very high	96.8	Very high	119 Å²	119	51.8 Å²	51.8	64%	0.636	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-8.9	-178.2	-66.8	-25.3	0	0	0	113	D779 N821	D779-D781 VanDerWaalsContact C-N 3.33Å; D779-D781 PolarHBondContact OD1-N 3.41Å; D781-N821 PolarHBondContact OD1-ND2 2.88Å
782	L	98.3	Very high	97.4	Very high	59 Å²	59	45.6 Å²	45.6	31%	0.309	24%	0.237	S	C	.	.	S	Bend	trans	-66.9	146.9	172.5	-68.1	176.5	0	0	0	111.5	D779 L780 D786 K787 I790	D779-L782 HydrophobicContact CB-CD1 4.48Å; D779-L782 HydrophobicContact CB-CG 4.26Å; L780-L782 PolarHBondContact O-N 2.58Å; L782-D786 HydrophobicContact CB-CB 4.48Å; L782-K787 HydrophobicContact CB-CD 4.42Å; L782-K787 HydrophobicContact CB-CG 3.82Å; L782-K787 WeakPolarHBondContact O-CE 3.48Å; L782-I790 HydrophobicContact CD1-CD1 3.53Å
783	P	98.3	Very high	97.9	Very high	70 Å²	70	47 Å²	47	46%	0.455	24%	0.238	S	C	.	.			trans	-50.7	148.3	171.3	-27.2	35	0	0	0	112.7	S785 D786 K787	P783-S785 VanDerWaalsContact C-N 3.28Å; P783-S785 PolarHBondContact O-N 2.79Å; P783-D786 HydrophobicContact CB-CB 4.33Å; P783-D786 WeakPolarHBondContact CD-OD2 3.4Å; P783-D786 WeakPolarHBondContact CG-OD2 3.25Å; P783-D786 PolarHBondContact O-N 3.34Å; P783-K787 PolarHBondContact O-N 2.9Å; P783-K787 VanDerWaalsContact O-N 3.07Å
784	I	98.4	Very high	98.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-52.7	-48.1	-179.7	-63.9	169	0	0	0	110.6	D786 K787 I788 V811 I824 I853 L862	I784-D786 VanDerWaalsContact C-N 3.31Å; I784-D786 PolarHBondContact O-N 3.45Å; I784-K787 PolarHBondContact O-N 3.28Å; I784-I788 HydrophobicContact CG2-CD1 3.88Å; I784-I788 VanDerWaalsContact O-CG1 3.24Å; I784-I788 WeakPolarHBondContact O-CG1 3.34Å; I784-I788 PolarHBondContact O-N 2.81Å; I784-I788 VanDerWaalsContact O-N 3.11Å; I784-V811 HydrophobicContact CB-CG1 4.15Å; I784-V811 HydrophobicContact CB-CG2 4.46Å; I784-V811 HydrophobicContact CD1-CG1 4.33Å; I784-V811 HydrophobicContact CG2-CG2 4.04Å; I784-I824 HydrophobicContact CG2-CD1 4.09Å; I784-I853 HydrophobicContact CG2-CD1 4.24Å; I784-L862 HydrophobicContact CD1-CD1 3.5Å; I784-L862 HydrophobicContact CG1-CD1 3.79Å; I784-L862 HydrophobicContact CG2-CD1 4.06Å
785	S	97.9	Very high	98.2	Very high	26 Å²	26	45 Å²	45	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-41.2	178	48.3	0	0	0	0	112.9	P783 I788 R789 I801	P783-S785 VanDerWaalsContact C-N 3.28Å; P783-S785 PolarHBondContact O-N 2.79Å; S785-I788 PolarHBondContact O-N 2.8Å; S785-R789 WeakPolarHBondContact O-CB 3.35Å; S785-R789 PolarHBondContact O-N 3.48Å; S785-I801 VanDerWaalsContact O-CD1 3.31Å; S785-I801 WeakPolarHBondContact O-CD1 3.31Å
786	D	98.4	Very high	98.3	Very high	54 Å²	54	40 Å²	40	29%	0.289	20%	0.202	S	C	.	.	H	α-helix	trans	-71.5	-38.4	-177.5	-65.5	-10.5	0	0	0	111.6	L782 P783 I784 I788 R789 I790	L782-D786 HydrophobicContact CB-CB 4.48Å; P783-D786 HydrophobicContact CB-CB 4.33Å; P783-D786 WeakPolarHBondContact CD-OD2 3.4Å; P783-D786 WeakPolarHBondContact CG-OD2 3.25Å; P783-D786 PolarHBondContact O-N 3.34Å; I784-D786 VanDerWaalsContact C-N 3.31Å; I784-D786 PolarHBondContact O-N 3.45Å; D786-I788 VanDerWaalsContact C-N 3.35Å; D786-I788 PolarHBondContact O-N 2.76Å; D786-R789 PolarHBondContact O-N 2.97Å; D786-R789 IonicContact OD1-CZ 2.68Å; D786-R789 IonicContact OD1-NH1 3.93Å; D786-R789 PolarHBondContact OD1-NH1 2.92Å; D786-I790 WeakPolarHBondContact O-CB 3.41Å; D786-I790 VanDerWaalsContact O-CG1 3.25Å; D786-I790 WeakPolarHBondContact O-CG1 3.39Å; D786-I790 PolarHBondContact O-N 2.89Å
787	K	98.6	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-44.1	172.5	-67.1	-177.3	-71.8	-164.5	0	111.7	Y778 L780 L782 P783 I784 I790 I791 G820 L822 I824	Y778-K787 HydrophobicContact CD2-CB 4.12Å; Y778-K787 HydrophobicContact CD2-CD 3.65Å; Y778-K787 HydrophobicContact CD2-CG 3.65Å; Y778-K787 HydrophobicContact CE2-CB 4.25Å; Y778-K787 HydrophobicContact CE2-CD 3.74Å; Y778-K787 HydrophobicContact CE2-CG 4.08Å; Y778-K787 HydrophobicContact CG-CB 4.38Å; Y778-K787 HydrophobicContact CG-CG 4.16Å; L780-K787 PolarHBondContact O-NZ 3.45Å; L780-K787 VanDerWaalsContact O-NZ 3.1Å; L782-K787 HydrophobicContact CB-CD 4.42Å; L782-K787 HydrophobicContact CB-CG 3.82Å; L782-K787 WeakPolarHBondContact O-CE 3.48Å; P783-K787 PolarHBondContact O-N 2.9Å; P783-K787 VanDerWaalsContact O-N 3.07Å; I784-K787 PolarHBondContact O-N 3.28Å; K787-I790 PolarHBondContact O-N 3.41Å; K787-I791 WeakPolarHBondContact O-CG1 3.43Å; K787-I791 PolarHBondContact O-N 3.36Å; K787-G820 PolarHBondContact NZ-O 3.2Å; K787-L822 PolarHBondContact NZ-O 2.7Å; K787-I824 HydrophobicContact CB-CD1 4.4Å; K787-I824 HydrophobicContact CB-CG1 3.56Å; K787-I824 HydrophobicContact CD-CG1 4.43Å
788	I	98.6	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-46.4	175.8	-62	169.5	0	0	0	110.1	I784 S785 D786 I790 I791 A792 I801 I824 M826 I850 I853 P864	I784-I788 HydrophobicContact CG2-CD1 3.88Å; I784-I788 VanDerWaalsContact O-CG1 3.24Å; I784-I788 WeakPolarHBondContact O-CG1 3.34Å; I784-I788 PolarHBondContact O-N 2.81Å; I784-I788 VanDerWaalsContact O-N 3.11Å; S785-I788 PolarHBondContact O-N 2.8Å; D786-I788 VanDerWaalsContact C-N 3.35Å; D786-I788 PolarHBondContact O-N 2.76Å; I788-I790 PolarHBondContact O-N 2.83Å; I788-I791 PolarHBondContact O-N 2.98Å; I788-A792 WeakPolarHBondContact O-CB 3.43Å; I788-A792 PolarHBondContact O-N 3.01Å; I788-I801 HydrophobicContact CB-CD1 3.99Å; I788-I801 HydrophobicContact CG2-CD1 3.87Å; I788-I801 HydrophobicContact CG2-CG2 4.11Å; I788-I824 HydrophobicContact CG1-CD1 4.16Å; I788-I824 HydrophobicContact CG1-CG1 4.17Å; I788-I824 HydrophobicContact CG1-CG2 3.91Å; I788-M826 HydrophobicContact CG2-CE 3.95Å; I788-M826 HydrophobicContact CG2-SD 3.87Å; I788-I850 HydrophobicContact CG2-CD1 3.83Å; I788-I850 HydrophobicContact CG2-CG1 4.11Å; I788-I853 HydrophobicContact CD1-CD1 3.89Å; I788-P864 HydrophobicContact CD1-CB 4.12Å; I788-P864 HydrophobicContact CD1-CG 3.51Å; I788-P864 HydrophobicContact CG1-CG 3.74Å
789	R	98.6	Very high	98.2	Very high	65 Å²	65	41.1 Å²	41.1	25%	0.245	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-42.8	179.6	-172.2	-179.8	-61	100.8	1.3	112.2	S785 D786 I791 A792 Q793 D800 I801	S785-R789 WeakPolarHBondContact O-CB 3.35Å; S785-R789 PolarHBondContact O-N 3.48Å; D786-R789 PolarHBondContact O-N 2.97Å; D786-R789 IonicContact OD1-CZ 2.68Å; D786-R789 IonicContact OD1-NH1 3.93Å; D786-R789 PolarHBondContact OD1-NH1 2.92Å; R789-I791 VanDerWaalsContact C-N 3.33Å; R789-I791 PolarHBondContact O-N 3.36Å; R789-A792 PolarHBondContact O-N 3.04Å; R789-Q793 HydrophobicContact CG-CG 4.19Å; R789-Q793 WeakPolarHBondContact O-CB 3.5Å; R789-Q793 WeakPolarHBondContact O-CG 3.39Å; R789-Q793 PolarHBondContact O-N 2.99Å; R789-D800 VanDerWaalsContact CD-OD1 3.24Å; R789-D800 WeakPolarHBondContact CD-OD1 3.14Å; R789-D800 WeakPolarHBondContact CG-OD1 3.39Å; R789-D800 IonicContact CZ-OD1 2.79Å; R789-D800 IonicContact NE-OD1 2.61Å; R789-D800 PolarHBondContact NE-OD1 3.25Å; R789-I801 HydrophobicContact CB-CD1 4.07Å; R789-I801 HydrophobicContact CB-CG1 4.21Å; R789-I801 HydrophobicContact CB-CG2 4.4Å
790	I	98.7	Very high	98.2	Very high	32 Å²	32	39.6 Å²	39.6	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-44.9	177.1	-73	165.9	0	0	0	111	L777 Y778 L782 D786 K787 I788 K794	L777-I790 HydrophobicContact CD2-CG2 4.07Å; L777-I790 HydrophobicContact CG-CG2 3.81Å; Y778-I790 HydrophobicContact CD1-CG2 4.46Å; L782-I790 HydrophobicContact CD1-CD1 3.53Å; D786-I790 WeakPolarHBondContact O-CB 3.41Å; D786-I790 VanDerWaalsContact O-CG1 3.25Å; D786-I790 WeakPolarHBondContact O-CG1 3.39Å; D786-I790 PolarHBondContact O-N 2.89Å; K787-I790 PolarHBondContact O-N 3.41Å; I788-I790 PolarHBondContact O-N 2.83Å; I790-K794 HydrophobicContact CG2-CD 3.96Å; I790-K794 HydrophobicContact CG2-CG 4.46Å; I790-K794 VanDerWaalsContact O-CB 3.32Å; I790-K794 WeakPolarHBondContact O-CB 3.17Å; I790-K794 WeakPolarHBondContact O-CG 3.32Å; I790-K794 PolarHBondContact O-N 3.17Å
791	I	98.6	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-48	175.8	-61.9	165.5	0	0	0	109.7	E640 L777 Y778 K787 I788 R789 Q793 I795 Y796 I824 M826	E640-I791 HydrophobicContact CG-CG2 4.35Å; L777-I791 HydrophobicContact CD2-CG1 4Å; Y778-I791 HydrophobicContact CD1-CG1 4.15Å; Y778-I791 HydrophobicContact CE1-CD1 3.68Å; Y778-I791 HydrophobicContact CE1-CG1 3.72Å; K787-I791 WeakPolarHBondContact O-CG1 3.43Å; K787-I791 PolarHBondContact O-N 3.36Å; I788-I791 PolarHBondContact O-N 2.98Å; R789-I791 VanDerWaalsContact C-N 3.33Å; R789-I791 PolarHBondContact O-N 3.36Å; I791-Q793 PolarHBondContact O-N 3.31Å; I791-I795 HydrophobicContact CG2-CB 4.33Å; I791-I795 HydrophobicContact CG2-CG1 4.32Å; I791-I795 WeakPolarHBondContact O-CA 3.44Å; I791-I795 VanDerWaalsContact O-CB 3.27Å; I791-I795 WeakPolarHBondContact O-CB 3.2Å; I791-I795 PolarHBondContact O-N 2.72Å; I791-Y796 HydrophobicContact CG2-CE1 4.29Å; I791-Y796 HydrophobicContact CG2-CE2 3.73Å; I791-Y796 WeakPolarHBondContact CG2-OH 3.43Å; I791-Y796 PolarHBondContact O-N 2.63Å; I791-I824 HydrophobicContact CD1-CB 3.75Å; I791-I824 HydrophobicContact CD1-CG2 3.74Å; I791-M826 HydrophobicContact CB-CG 4.46Å; I791-M826 HydrophobicContact CD1-CG 4.06Å; I791-M826 HydrophobicContact CG2-CG 3.93Å
792	A	98.4	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-59.1	-46.2	-178	0	0	0	0	0	112.9	I788 R789 Y796 G797 A798 I801 L848	I788-A792 WeakPolarHBondContact O-CB 3.43Å; I788-A792 PolarHBondContact O-N 3.01Å; R789-A792 PolarHBondContact O-N 3.04Å; A792-Y796 HydrophobicContact CB-CD2 4.31Å; A792-Y796 CarbonylContact O-C 3.58Å; A792-Y796 VanDerWaalsContact O-CB 3.31Å; A792-Y796 WeakPolarHBondContact O-CB 3.49Å; A792-Y796 PolarHBondContact O-N 2.71Å; A792-G797 PolarHBondContact O-N 3.4Å; A792-G797 VanDerWaalsContact O-N 3.08Å; A792-A798 HydrophobicContact CB-CB 4.04Å; A792-A798 WeakPolarHBondContact O-CB 3.38Å; A792-A798 PolarHBondContact O-N 3.36Å; A792-I801 HydrophobicContact CB-CG2 3.49Å; A792-I801 VanDerWaalsContact CB-CG2 3.49Å; A792-L848 HydrophobicContact CB-CD2 4.07Å
793	Q	98.3	Very high	98.2	Very high	82 Å²	82	36.8 Å²	36.8	38%	0.383	19%	0.193	S	C	.	.	I	π-helix	trans	-74.9	-49.6	-177.6	-69.9	176.1	-27.7	0	0	112.1	R789 I791 G797 A798 D799	R789-Q793 HydrophobicContact CG-CG 4.19Å; R789-Q793 WeakPolarHBondContact O-CB 3.5Å; R789-Q793 WeakPolarHBondContact O-CG 3.39Å; R789-Q793 PolarHBondContact O-N 2.99Å; I791-Q793 PolarHBondContact O-N 3.31Å; Q793-G797 WeakPolarHBondContact O-CA 3.4Å; Q793-G797 PolarHBondContact O-N 2.9Å; Q793-A798 WeakPolarHBondContact CA-O 3.06Å; Q793-A798 WeakPolarHBondContact CG-O 3.14Å; Q793-D799 PolarHBondContact NE2-O 2.63Å
794	K	98.1	Very high	98.2	Very high	93 Å²	93	36 Å²	36	40%	0.404	18%	0.184	S	C	.	.	I	π-helix	trans	-76.2	-45.8	-173.6	-63.2	-172.5	-177.3	174.8	0	112.5	K702 N706 L777 I790	K702-K794 PolarHBondContact NZ-O 2.89Å; N706-K794 PolarHBondContact OD1-O 2.74Å; L777-K794 HydrophobicContact CD1-CB 4.19Å; L777-K794 HydrophobicContact CD1-CD 3.77Å; L777-K794 HydrophobicContact CG-CD 4.43Å; I790-K794 HydrophobicContact CG2-CD 3.96Å; I790-K794 HydrophobicContact CG2-CG 4.46Å; I790-K794 VanDerWaalsContact O-CB 3.32Å; I790-K794 WeakPolarHBondContact O-CB 3.17Å; I790-K794 WeakPolarHBondContact O-CG 3.32Å; I790-K794 PolarHBondContact O-N 3.17Å
795	I	98.3	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-87.7	-46.3	-172.3	-54.7	-60.4	0	0	0	111.4	D636 E640 K702 N706 F710 L777 I791	D636-I795 HydrophobicContact CB-CG2 3.9Å; E640-I795 HydrophobicContact CG-CG1 4.08Å; E640-I795 HydrophobicContact CG-CG2 4.48Å; K702-I795 WeakPolarHBondContact CE-O 3.38Å; N706-I795 HydrophobicContact CB-CD1 4.3Å; N706-I795 PolarHBondContact ND2-O 2.92Å; N706-I795 WeakPolarHBondContact OD1-CA 3.24Å; N706-I795 PolarHBondContact OD1-O 2.66Å; F710-I795 HydrophobicContact CE2-CD1 4.05Å; F710-I795 HydrophobicContact CZ-CD1 4.42Å; L777-I795 HydrophobicContact CD1-CD1 4.17Å; L777-I795 HydrophobicContact CD2-CD1 3.92Å; L777-I795 HydrophobicContact CD2-CG1 3.58Å; I791-I795 HydrophobicContact CG2-CB 4.33Å; I791-I795 HydrophobicContact CG2-CG1 4.32Å; I791-I795 WeakPolarHBondContact O-CA 3.44Å; I791-I795 VanDerWaalsContact O-CB 3.27Å; I791-I795 WeakPolarHBondContact O-CB 3.2Å; I791-I795 PolarHBondContact O-N 2.72Å
796	Y	98.2	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-89.7	-23.3	-175.8	-49.7	-32.6	0	0	0	113.5	D636 I791 A792 A798 M826 K828 L833 L848	D636-Y796 HydrophobicContact CB-CD1 4.23Å; D636-Y796 HydrophobicContact CB-CE1 4.18Å; D636-Y796 WeakPolarHBondContact O-CE1 3.39Å; I791-Y796 HydrophobicContact CG2-CE1 4.29Å; I791-Y796 HydrophobicContact CG2-CE2 3.73Å; I791-Y796 WeakPolarHBondContact CG2-OH 3.43Å; I791-Y796 PolarHBondContact O-N 2.63Å; A792-Y796 HydrophobicContact CB-CD2 4.31Å; A792-Y796 CarbonylContact O-C 3.58Å; A792-Y796 VanDerWaalsContact O-CB 3.31Å; A792-Y796 WeakPolarHBondContact O-CB 3.49Å; A792-Y796 PolarHBondContact O-N 2.71Å; Y796-A798 VanDerWaalsContact C-N 3.35Å; Y796-M826 HydrophobicContact CE2-CB 4.45Å; Y796-M826 HydrophobicContact CE2-CE 4.16Å; Y796-M826 HydrophobicContact CE2-CG 4.23Å; Y796-M826 WeakPolarHBondContact OH-CB 3.47Å; Y796-M826 WeakPolarHBondContact OH-CG 3.47Å; Y796-K828 HydrophobicContact CD1-CD 4.2Å; Y796-K828 HydrophobicContact CD2-CD 4.1Å; Y796-K828 HydrophobicContact CE1-CD 3.78Å; Y796-K828 HydrophobicContact CE2-CD 3.71Å; Y796-K828 HydrophobicContact CG-CD 4.38Å; Y796-L833 WeakPolarHBondContact CB-O 3.44Å; Y796-L848 HydrophobicContact CD2-CD2 4.01Å; Y796-L848 HydrophobicContact CE2-CD2 4.14Å
797	G	97.5	Very high	97.8	Very high	23 Å²	23	42.1 Å²	42.1	24%	0.237	22%	0.218	C	C	.	.			trans	74.3	26	-172.6	0	0	0	0	0	113.3	A792 Q793	A792-G797 PolarHBondContact O-N 3.4Å; A792-G797 VanDerWaalsContact O-N 3.08Å; Q793-G797 WeakPolarHBondContact O-CA 3.4Å; Q793-G797 PolarHBondContact O-N 2.9Å
798	A	98	Very high	97.7	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	24%	0.235	C	C	.	.			trans	-70.8	150.7	170.8	0	0	0	0	0	110.4	A792 Q793 Y796 F846	A792-A798 HydrophobicContact CB-CB 4.04Å; A792-A798 WeakPolarHBondContact O-CB 3.38Å; A792-A798 PolarHBondContact O-N 3.36Å; Q793-A798 WeakPolarHBondContact CA-O 3.06Å; Q793-A798 WeakPolarHBondContact CG-O 3.14Å; Y796-A798 VanDerWaalsContact C-N 3.35Å; A798-F846 WeakPolarHBondContact CA-O 3.34Å; A798-F846 HydrophobicContact CB-CD2 3.96Å; A798-F846 HydrophobicContact CB-CE2 3.44Å; A798-F846 VanDerWaalsContact CB-CE2 3.44Å; A798-F846 HydrophobicContact CB-CZ 3.78Å
799	D	98.2	Very high	97.5	Very high	96 Å²	96	50.8 Å²	50.8	51%	0.513	26%	0.259	S	S	.	.	S	Bend	trans	-71.6	-44.2	175.6	-62.3	-23.4	0	0	0	110.4	Q793 G845 F846	Q793-D799 PolarHBondContact NE2-O 2.63Å; D799-G845 VanDerWaalsContact OD2-C 3.31Å; D799-G845 WeakPolarHBondContact OD2-CA 3.5Å; D799-F846 PolarHBondContact N-O 2.83Å; D799-F846 PolarHBondContact OD2-N 2.87Å
800	D	98.2	Very high	97.3	Very high	63 Å²	63	49.5 Å²	49.5	34%	0.337	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	-173.5	175.9	-152.4	-14.8	0	0	0	111.2	R789 V847 L848	R789-D800 VanDerWaalsContact CD-OD1 3.24Å; R789-D800 WeakPolarHBondContact CD-OD1 3.14Å; R789-D800 WeakPolarHBondContact CG-OD1 3.39Å; R789-D800 IonicContact CZ-OD1 2.79Å; R789-D800 IonicContact NE-OD1 2.61Å; R789-D800 PolarHBondContact NE-OD1 3.25Å; D800-V847 WeakPolarHBondContact O-CA 3.37Å; D800-L848 PolarHBondContact O-N 3.02Å
801	I	98.3	Very high	97.2	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150	171.6	66.9	169.2	0	0	0	110.2	S785 I788 R789 A792 L803 L848 I850	S785-I801 VanDerWaalsContact O-CD1 3.31Å; S785-I801 WeakPolarHBondContact O-CD1 3.31Å; I788-I801 HydrophobicContact CB-CD1 3.99Å; I788-I801 HydrophobicContact CG2-CD1 3.87Å; I788-I801 HydrophobicContact CG2-CG2 4.11Å; R789-I801 HydrophobicContact CB-CD1 4.07Å; R789-I801 HydrophobicContact CB-CG1 4.21Å; R789-I801 HydrophobicContact CB-CG2 4.4Å; A792-I801 HydrophobicContact CB-CG2 3.49Å; A792-I801 VanDerWaalsContact CB-CG2 3.49Å; I801-L803 HydrophobicContact CD1-CD2 4.12Å; I801-L803 HydrophobicContact CD1-CG 4.46Å; I801-L848 WeakPolarHBondContact CA-O 3.21Å; I801-L848 HydrophobicContact CG2-CB 4.27Å; I801-I850 HydrophobicContact CB-CG1 4.37Å
802	E	97.8	Very high	97	Very high	107 Å²	107	53.7 Å²	53.7	50%	0.5	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.2	170.2	-178.1	-174.6	-169.4	0	0	108.6	L804 V847 L848 I850	E802-L804 HydrophobicContact CG-CD2 4.19Å; E802-V847 HydrophobicContact CB-CG1 3.83Å; E802-L848 PolarHBondContact N-O 2.79Å; E802-I850 PolarHBondContact O-N 3.42Å
803	L	97.7	Very high	96.7	Very high	39 Å²	39	56 Å²	56	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.5	172.5	-61.1	-176.5	0	0	0	109.1	I801 Q808 V811 I850	I801-L803 HydrophobicContact CD1-CD2 4.12Å; I801-L803 HydrophobicContact CD1-CG 4.46Å; L803-Q808 HydrophobicContact CB-CB 4.46Å; L803-Q808 VanDerWaalsContact CD1-OE1 3.27Å; L803-V811 HydrophobicContact CD1-CG2 4.23Å; L803-I850 HydrophobicContact CD2-CB 3.66Å; L803-I850 HydrophobicContact CD2-CG1 3.77Å; L803-I850 HydrophobicContact CD2-CG2 3.97Å
804	L	96.9	Very high	96.5	Very high	53 Å²	53	53.1 Å²	53.1	28%	0.277	27%	0.272	S	S	.	.			trans	-70.5	160	172.3	-60.5	-167.9	0	0	0	110.5	E802 E806 A807 Q808 I850 R851	E802-L804 HydrophobicContact CG-CD2 4.19Å; L804-E806 VanDerWaalsContact C-N 3.28Å; L804-E806 PolarHBondContact O-N 3.15Å; L804-E806 VanDerWaalsContact O-N 3.11Å; L804-A807 WeakPolarHBondContact O-CA 3.17Å; L804-A807 WeakPolarHBondContact O-CB 3.36Å; L804-A807 PolarHBondContact O-N 3.43Å; L804-Q808 PolarHBondContact O-N 2.98Å; L804-I850 WeakPolarHBondContact CB-O 2.97Å; L804-I850 PolarHBondContact N-O 3.13Å; L804-R851 HydrophobicContact CD1-CB 4.28Å; L804-R851 HydrophobicContact CD1-CG 3.92Å
805	P	97.2	Very high	96.4	Very high	115 Å²	115	52.3 Å²	52.3	75%	0.747	28%	0.275	S	S	*	.	H	α-helix	trans	-51.9	-41.1	-172.3	-30.7	36.4	0	0	0	115	Q808 H809	P805-Q808 PolarHBondContact O-N 3.4Å; P805-H809 PolarHBondContact O-N 3.09Å
806	E	93.9	Very high	96.1	Very high	96 Å²	96	61.2 Å²	61.2	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-43.2	177.2	-179.7	65.9	-173	0	0	112.2	L804 H809 K810	L804-E806 VanDerWaalsContact C-N 3.28Å; L804-E806 PolarHBondContact O-N 3.15Å; L804-E806 VanDerWaalsContact O-N 3.11Å; E806-H809 PolarHBondContact O-N 3.33Å; E806-K810 PolarHBondContact O-N 2.93Å; E806-K810 VanDerWaalsContact O-N 3.11Å; E806-K810 WeakPolarHBondContact OE1-CE 3.26Å; E806-K810 IonicContact OE1-NZ 2.7Å; E806-K810 PolarHBondContact OE1-NZ 2.98Å
807	A	96	Very high	95.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.3	0	0	0	0	0	111.3	L804 H809 K810 V811 I850 I853	L804-A807 WeakPolarHBondContact O-CA 3.17Å; L804-A807 WeakPolarHBondContact O-CB 3.36Å; L804-A807 PolarHBondContact O-N 3.43Å; A807-H809 PolarHBondContact O-N 3.14Å; A807-K810 PolarHBondContact O-N 3.46Å; A807-V811 WeakPolarHBondContact O-CG2 3.47Å; A807-V811 PolarHBondContact O-N 3.31Å; A807-I850 HydrophobicContact CB-CB 4.41Å; A807-I850 HydrophobicContact CB-CG2 3.91Å; A807-I850 VanDerWaalsContact CB-O 3.26Å; A807-I850 WeakPolarHBondContact CB-O 3.35Å; A807-I853 HydrophobicContact CB-CG1 4.16Å
808	Q	96.9	Very high	95.7	Very high	74 Å²	74	64.5 Å²	64.5	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-47.8	177.2	-179	60.3	37.7	0	0	111.2	L803 L804 P805 K810 V811 E812	L803-Q808 HydrophobicContact CB-CB 4.46Å; L803-Q808 VanDerWaalsContact CD1-OE1 3.27Å; L804-Q808 PolarHBondContact O-N 2.98Å; P805-Q808 PolarHBondContact O-N 3.4Å; Q808-K810 VanDerWaalsContact C-N 3.32Å; Q808-K810 PolarHBondContact O-N 3.12Å; Q808-V811 WeakPolarHBondContact O-CB 3.07Å; Q808-V811 PolarHBondContact O-N 3.48Å; Q808-E812 PolarHBondContact NE2-OE1 3.29Å; Q808-E812 PolarHBondContact O-N 3.44Å
809	H	94.7	Very high	95.6	Very high	109 Å²	109	65.5 Å²	65.5	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-42.7	176.6	-178.8	61.7	0	0	0	112.3	P805 E806 A807 E812 L813	P805-H809 PolarHBondContact O-N 3.09Å; E806-H809 PolarHBondContact O-N 3.33Å; A807-H809 PolarHBondContact O-N 3.14Å; H809-E812 PolarHBondContact O-N 2.88Å; H809-L813 WeakPolarHBondContact O-CB 3.37Å; H809-L813 PolarHBondContact O-N 3.5Å
810	K	93.9	Very high	95.5	Very high	37 Å²	37	61.3 Å²	61.3	16%	0.161	32%	0.323	C	S	.	.	H	α-helix	trans	-73	-30.6	178.6	-72.4	-174.7	-173.8	151.3	0	114	E806 A807 Q808 E812 L813 Y814 D852 I853	E806-K810 PolarHBondContact O-N 2.93Å; E806-K810 VanDerWaalsContact O-N 3.11Å; E806-K810 WeakPolarHBondContact OE1-CE 3.26Å; E806-K810 IonicContact OE1-NZ 2.7Å; E806-K810 PolarHBondContact OE1-NZ 2.98Å; A807-K810 PolarHBondContact O-N 3.46Å; Q808-K810 VanDerWaalsContact C-N 3.32Å; Q808-K810 PolarHBondContact O-N 3.12Å; K810-E812 VanDerWaalsContact C-N 3.31Å; K810-L813 PolarHBondContact O-N 3.08Å; K810-Y814 HydrophobicContact CB-CD2 4.31Å; K810-Y814 HydrophobicContact CB-CE2 4.05Å; K810-Y814 WeakPolarHBondContact O-CB 3.41Å; K810-Y814 VanDerWaalsContact O-CD2 3.24Å; K810-Y814 WeakPolarHBondContact O-CD2 3.46Å; K810-Y814 VanDerWaalsContact O-CG 3.26Å; K810-Y814 PolarHBondContact O-N 3.32Å; K810-D852 VanDerWaalsContact CD-OD1 3.23Å; K810-D852 WeakPolarHBondContact CD-OD1 3.06Å; K810-D852 WeakPolarHBondContact CE-OD1 3.39Å; K810-D852 IonicContact NZ-OD1 3.89Å; K810-D852 PolarHBondContact NZ-OD1 2.64Å; K810-D852 IonicContact NZ-OD2 2.68Å; K810-I853 HydrophobicContact CB-CB 4.48Å; K810-I853 WeakPolarHBondContact CD-O 3.24Å
811	V	96.2	Very high	95.5	Very high	13 Å²	13	62.6 Å²	62.6	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-48.4	169.2	167.2	0	0	0	0	110	I784 L803 A807 Q808 T815 I853	I784-V811 HydrophobicContact CB-CG1 4.15Å; I784-V811 HydrophobicContact CB-CG2 4.46Å; I784-V811 HydrophobicContact CD1-CG1 4.33Å; I784-V811 HydrophobicContact CG2-CG2 4.04Å; L803-V811 HydrophobicContact CD1-CG2 4.23Å; A807-V811 WeakPolarHBondContact O-CG2 3.47Å; A807-V811 PolarHBondContact O-N 3.31Å; Q808-V811 WeakPolarHBondContact O-CB 3.07Å; Q808-V811 PolarHBondContact O-N 3.48Å; V811-T815 VanDerWaalsContact O-CB 3.31Å; V811-T815 WeakPolarHBondContact O-CB 3.38Å; V811-T815 PolarHBondContact O-N 3.42Å; V811-T815 PolarHBondContact O-OG1 2.94Å; V811-I853 HydrophobicContact CG2-CD1 3.34Å
812	E	94.7	Very high	95.5	Very high	108 Å²	108	63.3 Å²	63.3	51%	0.505	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-45.8	179.2	-69	166.7	-162.2	0	0	111.4	Q808 H809 K810 T815 K816	Q808-E812 PolarHBondContact NE2-OE1 3.29Å; Q808-E812 PolarHBondContact O-N 3.44Å; H809-E812 PolarHBondContact O-N 2.88Å; K810-E812 VanDerWaalsContact C-N 3.31Å; E812-T815 PolarHBondContact O-N 2.97Å; E812-K816 WeakPolarHBondContact O-CB 3.32Å; E812-K816 PolarHBondContact O-N 3.42Å
813	L	91.8	Very high	95.5	Very high	48 Å²	48	58.2 Å²	58.2	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-52.5	177.5	178.7	63.4	0	0	0	111.9	H809 K810 T815 K816 Q817	H809-L813 WeakPolarHBondContact O-CB 3.37Å; H809-L813 PolarHBondContact O-N 3.5Å; K810-L813 PolarHBondContact O-N 3.08Å; L813-T815 VanDerWaalsContact C-N 3.3Å; L813-T815 PolarHBondContact O-N 3.42Å; L813-K816 WeakPolarHBondContact O-CB 3.41Å; L813-K816 PolarHBondContact O-N 3.29Å; L813-Q817 HydrophobicContact CD1-CG 4.21Å; L813-Q817 WeakPolarHBondContact O-CB 3.43Å; L813-Q817 WeakPolarHBondContact O-CG 3.37Å; L813-Q817 PolarHBondContact O-N 3.21Å
814	Y	94.8	Very high	95.6	Very high	21 Å²	21	56.3 Å²	56.3	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-67.8	-31.4	-178.4	-66.5	-29.3	0	0	0	112.5	K810 Q817 G818 F819 I853 A855 L862	K810-Y814 HydrophobicContact CB-CD2 4.31Å; K810-Y814 HydrophobicContact CB-CE2 4.05Å; K810-Y814 WeakPolarHBondContact O-CB 3.41Å; K810-Y814 VanDerWaalsContact O-CD2 3.24Å; K810-Y814 WeakPolarHBondContact O-CD2 3.46Å; K810-Y814 VanDerWaalsContact O-CG 3.26Å; K810-Y814 PolarHBondContact O-N 3.32Å; Y814-Q817 PolarHBondContact O-N 2.89Å; Y814-G818 PolarHBondContact O-N 3.11Å; Y814-F819 AromaticContact CD1-CD2 3.93Å; Y814-F819 HydrophobicContact CD1-CD2 3.93Å; Y814-F819 HydrophobicContact CG-CD2 4.44Å; Y814-F819 WeakPolarHBondContact O-CA 3.41Å; Y814-F819 WeakPolarHBondContact O-CB 3.39Å; Y814-F819 PolarHBondContact O-N 3.07Å; Y814-I853 HydrophobicContact CD2-CG2 4.16Å; Y814-I853 HydrophobicContact CE2-CB 4.36Å; Y814-I853 HydrophobicContact CE2-CG2 4.02Å; Y814-I853 WeakPolarHBondContact CE2-O 3.34Å; Y814-I853 PolarHBondContact OH-O 2.68Å; Y814-A855 HydrophobicContact CD1-CB 4.39Å; Y814-A855 HydrophobicContact CE1-CB 3.94Å; Y814-A855 HydrophobicContact CE2-CB 4.12Å; Y814-L862 HydrophobicContact CD2-CD1 4.5Å; Y814-L862 HydrophobicContact CD2-CD2 3.92Å; Y814-L862 HydrophobicContact CE2-CD2 4.39Å; Y814-L862 HydrophobicContact CG-CD2 4.26Å
815	T	95.1	Very high	95.6	Very high	76 Å²	76	53.8 Å²	53.8	47%	0.466	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-47.9	170.6	-56.9	0	0	0	0	110.5	V811 E812 L813 Q817 G818	V811-T815 VanDerWaalsContact O-CB 3.31Å; V811-T815 WeakPolarHBondContact O-CB 3.38Å; V811-T815 PolarHBondContact O-N 3.42Å; V811-T815 PolarHBondContact O-OG1 2.94Å; E812-T815 PolarHBondContact O-N 2.97Å; L813-T815 VanDerWaalsContact C-N 3.3Å; L813-T815 PolarHBondContact O-N 3.42Å; T815-Q817 VanDerWaalsContact C-N 3.3Å; T815-Q817 PolarHBondContact O-N 2.86Å; T815-G818 PolarHBondContact O-N 3.17Å
816	K	92.8	Very high	95.6	Very high	187 Å²	187	48.3 Å²	48.3	81%	0.813	25%	0.251	S	S	*	.	H	α-helix	trans	-61.7	-35.9	177.2	-175.9	-179.4	176.7	-174.4	0	112.7	E812 L813 G818	E812-K816 WeakPolarHBondContact O-CB 3.32Å; E812-K816 PolarHBondContact O-N 3.42Å; L813-K816 WeakPolarHBondContact O-CB 3.41Å; L813-K816 PolarHBondContact O-N 3.29Å; K816-G818 PolarHBondContact O-N 3.34Å
817	Q	91.3	Very high	95.7	Very high	32 Å²	32	43.8 Å²	43.8	15%	0.15	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.8	176.7	-70.5	-179.8	-24	0	0	113.6	G559 L813 Y814 T815 F819	G559-Q817 PolarHBondContact O-NE2 3.37Å; G559-Q817 VanDerWaalsContact O-NE2 3.13Å; L813-Q817 HydrophobicContact CD1-CG 4.21Å; L813-Q817 WeakPolarHBondContact O-CB 3.43Å; L813-Q817 WeakPolarHBondContact O-CG 3.37Å; L813-Q817 PolarHBondContact O-N 3.21Å; Y814-Q817 PolarHBondContact O-N 2.89Å; T815-Q817 VanDerWaalsContact C-N 3.3Å; T815-Q817 PolarHBondContact O-N 2.86Å; Q817-F819 HydrophobicContact CB-CD2 3.88Å; Q817-F819 HydrophobicContact CB-CE2 3.72Å; Q817-F819 HydrophobicContact CB-CG 4.47Å; Q817-F819 HydrophobicContact CB-CZ 4.2Å
818	G	94.6	Very high	95.6	Very high	61 Å²	61	43.8 Å²	43.8	63%	0.629	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	13.4	177.7	0	0	0	0	0	114.7	Y814 T815 K816 G820	Y814-G818 PolarHBondContact O-N 3.11Å; T815-G818 PolarHBondContact O-N 3.17Å; K816-G818 PolarHBondContact O-N 3.34Å; G818-G820 VanDerWaalsContact C-N 3.31Å
819	F	96.6	Very high	95.4	Very high	26 Å²	26	41.6 Å²	41.6	11%	0.114	22%	0.221	C	C	.	.			trans	-90.6	4.6	177.1	-52.1	-34	0	0	0	113	V552 P561 Y814 Q817 N821 L822 V857 L862	V552-F819 HydrophobicContact CG2-CZ 4.06Å; P561-F819 HydrophobicContact CB-CZ 4.31Å; P561-F819 HydrophobicContact CG-CZ 4.4Å; Y814-F819 AromaticContact CD1-CD2 3.93Å; Y814-F819 HydrophobicContact CD1-CD2 3.93Å; Y814-F819 HydrophobicContact CG-CD2 4.44Å; Y814-F819 WeakPolarHBondContact O-CA 3.41Å; Y814-F819 WeakPolarHBondContact O-CB 3.39Å; Y814-F819 PolarHBondContact O-N 3.07Å; Q817-F819 HydrophobicContact CB-CD2 3.88Å; Q817-F819 HydrophobicContact CB-CE2 3.72Å; Q817-F819 HydrophobicContact CB-CG 4.47Å; Q817-F819 HydrophobicContact CB-CZ 4.2Å; F819-N821 PolarHBondContact O-N 3.38Å; F819-N821 VanDerWaalsContact O-N 3.16Å; F819-L822 HydrophobicContact CB-CD1 3.93Å; F819-L822 HydrophobicContact CB-CG 4.36Å; F819-L822 HydrophobicContact CG-CD1 4.41Å; F819-L822 WeakPolarHBondContact O-CB 3.31Å; F819-L822 WeakPolarHBondContact O-CG 3.3Å; F819-L822 PolarHBondContact O-N 3.03Å; F819-L822 VanDerWaalsContact O-N 3.12Å; F819-V857 HydrophobicContact CD1-CG1 4.22Å; F819-V857 HydrophobicContact CD1-CG2 4.3Å; F819-V857 HydrophobicContact CD2-CG2 4.08Å; F819-V857 HydrophobicContact CE1-CG1 3.76Å; F819-V857 HydrophobicContact CE1-CG2 4.08Å; F819-V857 HydrophobicContact CE2-CG2 3.84Å; F819-V857 HydrophobicContact CG-CG2 4.32Å; F819-V857 HydrophobicContact CZ-CG1 4.14Å; F819-V857 HydrophobicContact CZ-CG2 3.85Å; F819-L862 HydrophobicContact CB-CD2 4.34Å
820	G	96.8	Very high	95.3	Very high	9 Å²	9	39 Å²	39	9%	0.093	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	179.4	0	0	0	0	0	113.7	K787 G818 L822	K787-G820 PolarHBondContact NZ-O 3.2Å; G818-G820 VanDerWaalsContact C-N 3.31Å; G820-L822 VanDerWaalsContact C-N 3.33Å; G820-L822 PolarHBondContact O-N 3.27Å
821	N	97.5	Very high	95.3	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.4	-175.3	-63.3	20.7	0	0	0	113.5	L780 D781 F819	L780-N821 WeakPolarHBondContact CB-O 3.4Å; L780-N821 WeakPolarHBondContact O-CA 3.48Å; D781-N821 PolarHBondContact OD1-ND2 2.88Å; F819-N821 PolarHBondContact O-N 3.38Å; F819-N821 VanDerWaalsContact O-N 3.16Å
822	L	98.4	Very high	95.3	Very high	29 Å²	29	38.9 Å²	38.9	15%	0.152	21%	0.21	C	C	.	.	S	Bend	trans	-72.9	147.6	177	-67.5	-176.8	0	0	0	111.8	K787 F819 G820 L862	K787-L822 PolarHBondContact NZ-O 2.7Å; F819-L822 HydrophobicContact CB-CD1 3.93Å; F819-L822 HydrophobicContact CB-CG 4.36Å; F819-L822 HydrophobicContact CG-CD1 4.41Å; F819-L822 WeakPolarHBondContact O-CB 3.31Å; F819-L822 WeakPolarHBondContact O-CG 3.3Å; F819-L822 PolarHBondContact O-N 3.03Å; F819-L822 VanDerWaalsContact O-N 3.12Å; G820-L822 VanDerWaalsContact C-N 3.33Å; G820-L822 PolarHBondContact O-N 3.27Å; L822-L862 HydrophobicContact CB-CG 4.14Å; L822-L862 HydrophobicContact CD1-CD2 4.18Å; L822-L862 HydrophobicContact CD1-CG 4.43Å
823	P	98.5	Very high	95.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.			trans	-57	160.4	167.7	-22.4	29.6	0	0	0	113.4	I645 Y649 L780 G860 F861 L862	I645-P823 HydrophobicContact CG1-CB 4.01Å; Y649-P823 HydrophobicContact CE2-CG 4.11Å; Y649-P823 WeakPolarHBondContact OH-CD 3.42Å; L780-P823 HydrophobicContact CD2-CB 4.42Å; L780-P823 HydrophobicContact CD2-CG 3.94Å; P823-G860 WeakPolarHBondContact CD-O 3.32Å; P823-F861 HydrophobicContact CB-CB 4.39Å; P823-F861 WeakPolarHBondContact O-CA 3.42Å; P823-F861 WeakPolarHBondContact O-CB 3.31Å; P823-L862 PolarHBondContact O-N 3.47Å
824	I	98.4	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-104.5	130.5	177.7	-57	-55.8	0	0	0	110.5	Y778 I784 K787 I788 I791 M826 L862 P864	Y778-I824 PolarHBondContact OH-N 2.89Å; Y778-I824 PolarHBondContact OH-O 2.82Å; I784-I824 HydrophobicContact CG2-CD1 4.09Å; K787-I824 HydrophobicContact CB-CD1 4.4Å; K787-I824 HydrophobicContact CB-CG1 3.56Å; K787-I824 HydrophobicContact CD-CG1 4.43Å; I788-I824 HydrophobicContact CG1-CD1 4.16Å; I788-I824 HydrophobicContact CG1-CG1 4.17Å; I788-I824 HydrophobicContact CG1-CG2 3.91Å; I791-I824 HydrophobicContact CD1-CB 3.75Å; I791-I824 HydrophobicContact CD1-CG2 3.74Å; I824-M826 HydrophobicContact CG2-CG 4.04Å; I824-M826 HydrophobicContact CG2-SD 3.71Å; I824-L862 CarbonylContact C-O 3.55Å; I824-L862 WeakPolarHBondContact CA-O 3.39Å; I824-L862 HydrophobicContact CD1-CB 4.13Å; I824-P864 HydrophobicContact CG2-CG 3.74Å
825	C	97.8	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.			trans	-116.5	89.3	175	176.1	0	0	0	0	109.9	A605 K641 I645 A827 F861 L862 F863	A605-C825 VanDerWaalsContact CA-SG 3.54Å; A605-C825 PolarHBondContact O-SG 3.35Å; K641-C825 PolarHBondContact NZ-SG 3.24Å; K641-C825 VanDerWaalsContact NZ-SG 3.43Å; I645-C825 HydrophobicContact CD1-CB 3.71Å; C825-A827 PolarHBondContact O-N 3.37Å; C825-F861 HydrophobicContact CB-CB 4.35Å; C825-F861 HydrophobicContact CB-CD2 3.54Å; C825-F861 HydrophobicContact CB-CE2 4.02Å; C825-F861 HydrophobicContact CB-CG 4.02Å; C825-L862 PolarHBondContact N-O 3.04Å; C825-F863 HydrophobicContact CB-CB 4Å; C825-F863 WeakPolarHBondContact O-CA 2.99Å; C825-F863 WeakPolarHBondContact O-CB 3.44Å
826	M	97.1	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.			trans	-64.3	122.9	-175.2	-68.1	-60.9	-73.5	0	0	113.1	K641 I788 I791 Y796 I824 L848 I850 P864 V866	K641-M826 VanDerWaalsContact CE-O 3.29Å; K641-M826 WeakPolarHBondContact CE-O 3.33Å; K641-M826 PolarHBondContact NZ-O 2.93Å; I788-M826 HydrophobicContact CG2-CE 3.95Å; I788-M826 HydrophobicContact CG2-SD 3.87Å; I791-M826 HydrophobicContact CB-CG 4.46Å; I791-M826 HydrophobicContact CD1-CG 4.06Å; I791-M826 HydrophobicContact CG2-CG 3.93Å; Y796-M826 HydrophobicContact CE2-CB 4.45Å; Y796-M826 HydrophobicContact CE2-CE 4.16Å; Y796-M826 HydrophobicContact CE2-CG 4.23Å; Y796-M826 WeakPolarHBondContact OH-CB 3.47Å; Y796-M826 WeakPolarHBondContact OH-CG 3.47Å; I824-M826 HydrophobicContact CG2-CG 4.04Å; I824-M826 HydrophobicContact CG2-SD 3.71Å; M826-L848 HydrophobicContact CE-CD2 3.44Å; M826-L848 VanDerWaalsContact CE-CD2 3.44Å; M826-I850 HydrophobicContact CE-CD1 3.93Å; M826-P864 HydrophobicContact SD-CB 3.94Å; M826-P864 HydrophobicContact SD-CG 3.73Å; M826-V866 HydrophobicContact CE-CG2 3.67Å
827	A	95.1	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-100	89.8	173.6	0	0	0	0	0	110.3	N603 I604 C825 P864 L865 V866 M869	N603-A827 WeakPolarHBondContact O-CA 3.46Å; I604-A827 HydrophobicContact CG2-CB 4.21Å; C825-A827 PolarHBondContact O-N 3.37Å; A827-P864 WeakPolarHBondContact CB-O 3.25Å; A827-P864 PolarHBondContact N-O 3.16Å; A827-L865 HydrophobicContact CB-CD2 3.83Å; A827-V866 WeakPolarHBondContact O-CB 3.49Å; A827-V866 PolarHBondContact O-N 2.94Å; A827-M869 HydrophobicContact CB-CE 4.34Å; A827-M869 WeakPolarHBondContact O-CE 3.41Å
828	K	94.1	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.			trans	-125.1	166.5	174.7	64.3	174.1	-120.8	62.5	0	113	I637 Y796 H830 S832 L833 S834 V866 M869	I637-K828 HydrophobicContact CD1-CG 3.96Å; I637-K828 HydrophobicContact CG1-CG 4.36Å; Y796-K828 HydrophobicContact CD1-CD 4.2Å; Y796-K828 HydrophobicContact CD2-CD 4.1Å; Y796-K828 HydrophobicContact CE1-CD 3.78Å; Y796-K828 HydrophobicContact CE2-CD 3.71Å; Y796-K828 HydrophobicContact CG-CD 4.38Å; K828-H830 PolarHBondContact O-N 2.87Å; K828-S832 PolarHBondContact NZ-O 3.35Å; K828-L833 VanDerWaalsContact CE-O 3.25Å; K828-L833 WeakPolarHBondContact CE-O 3.31Å; K828-L833 PolarHBondContact NZ-O 3.48Å; K828-S834 PolarHBondContact NZ-O 3.3Å; K828-V866 HydrophobicContact CB-CB 3.97Å; K828-V866 HydrophobicContact CB-CG1 4.32Å; K828-V866 HydrophobicContact CB-CG2 4.04Å; K828-M869 VanDerWaalsContact N-CE 3.29Å; K828-M869 WeakPolarHBondContact O-CE 3.21Å
829	T	93.4	Very high	95.7	Very high	28 Å²	28	31.9 Å²	31.9	17%	0.172	16%	0.161	C	C	.	.			trans	-53.9	139.1	172	-178.9	0	0	0	0	110.3	L831 A837	T829-L831 VanDerWaalsContact C-N 3.29Å; T829-L831 PolarHBondContact OG1-N 3.29Å; T829-A837 HydrophobicContact CG2-CB 4.43Å
830	H	93.1	Very high	95.6	Very high	55 Å²	55	32.9 Å²	32.9	26%	0.255	17%	0.166	S	C	.	.	S	Bend	trans	-87.5	-0.4	178.1	60.4	-82.1	0	0	0	112.9	P341 F633 I637 K828	P341-H830 WeakPolarHBondContact CD-O 3.37Å; F633-H830 HydrophobicContact CB-CB 4Å; F633-H830 HydrophobicContact CD1-CB 3.49Å; F633-H830 VanDerWaalsContact CD1-CB 3.49Å; F633-H830 AromaticContact CD1-CD2 3.74Å; F633-H830 AromaticContact CD1-CG 3.57Å; F633-H830 HydrophobicContact CD2-CB 3.66Å; F633-H830 HydrophobicContact CE1-CB 3.75Å; F633-H830 AromaticContact CE1-CD2 3.71Å; F633-H830 AromaticContact CE1-CG 3.44Å; F633-H830 VanDerWaalsContact CE1-CG 3.44Å; F633-H830 AromaticContact CE1-ND1 3.71Å; F633-H830 HydrophobicContact CE2-CB 3.86Å; F633-H830 HydrophobicContact CG-CB 3.46Å; F633-H830 VanDerWaalsContact CG-CB 3.46Å; F633-H830 HydrophobicContact CZ-CB 3.93Å; F633-H830 AromaticContact CZ-CG 3.81Å; F633-H830 AromaticContact CZ-ND1 3.76Å; I637-H830 HydrophobicContact CD1-CB 3.97Å; K828-H830 PolarHBondContact O-N 2.87Å
831	L	94.4	Very high	95.6	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.246	16%	0.164	C	C	.	.	S	Bend	trans	-97.2	-1.1	-169.9	-62.9	172.5	0	0	0	114.1	T340 T829 A837 K840	T340-L831 VanDerWaalsContact CG2-C 3.5Å; T829-L831 VanDerWaalsContact C-N 3.29Å; T829-L831 PolarHBondContact OG1-N 3.29Å; L831-A837 HydrophobicContact CB-CB 4.02Å; L831-A837 HydrophobicContact CD1-CB 4.04Å; L831-K840 PolarHBondContact O-NZ 3.17Å
832	S	95.9	Very high	95.6	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	-154.2	157.3	-176.7	169.4	0	0	0	0	108.8	K828 S834 E836 K839	K828-S832 PolarHBondContact NZ-O 3.35Å; S832-S834 VanDerWaalsContact C-N 3.29Å; S832-S834 PolarHBondContact OG-N 2.86Å; S832-S834 PolarHBondContact OG-OG 3.18Å; S832-S834 VanDerWaalsContact OG-OG 3.05Å; S832-E836 WeakPolarHBondContact CB-O 3.46Å; S832-E836 PolarHBondContact OG-O 3.42Å; S832-E836 VanDerWaalsContact OG-O 3.07Å; S832-K839 WeakPolarHBondContact CB-O 3.48Å; S832-K839 PolarHBondContact OG-O 2.88Å
833	L	97.1	Very high	95.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	-69.5	-30.1	166.2	-73.6	165.1	0	0	0	111.3	D636 K702 Y796 K828 V842	D636-L833 HydrophobicContact CB-CD2 3.55Å; K702-L833 HydrophobicContact CB-CD1 4.4Å; K702-L833 HydrophobicContact CG-CD1 3.87Å; Y796-L833 WeakPolarHBondContact CB-O 3.44Å; K828-L833 VanDerWaalsContact CE-O 3.25Å; K828-L833 WeakPolarHBondContact CE-O 3.31Å; K828-L833 PolarHBondContact NZ-O 3.48Å; L833-V842 HydrophobicContact CD1-CB 4.48Å; L833-V842 HydrophobicContact CD1-CG1 4.23Å; L833-V842 HydrophobicContact CD1-CG2 4.34Å
834	S	96	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-82.9	-170.5	176.8	81.9	0	0	0	0	112.6	K828 S832 E836	K828-S834 PolarHBondContact NZ-O 3.3Å; S832-S834 VanDerWaalsContact C-N 3.29Å; S832-S834 PolarHBondContact OG-N 2.86Å; S832-S834 PolarHBondContact OG-OG 3.18Å; S832-S834 VanDerWaalsContact OG-OG 3.05Å; S834-E836 VanDerWaalsContact C-N 3.31Å; S834-E836 PolarHBondContact OG-N 2.91Å; S834-E836 VanDerWaalsContact OG-N 3.09Å; S834-E836 PolarHBondContact OG-O 3.38Å
835	H	94.4	Very high	95.3	Very high	62 Å²	62	38.8 Å²	38.8	29%	0.287	22%	0.217	S	C	.	.	S	Bend	trans	-82.9	-7.1	172.4	60	-82.8	0	0	0	113.7	V847 L848 V866	H835-V847 PolarHBondContact CE1-O 2.88Å; H835-L848 HydrophobicContact CB-CD1 3.9Å; H835-V866 HydrophobicContact CB-CG1 3.39Å
836	E	94.5	Very high	95.3	Very high	72 Å²	72	39.2 Å²	39.2	34%	0.336	22%	0.219	S	C	.	.			trans	-105	113.2	-176	-66.4	167.2	-98.6	0	0	110.3	S832 S834 E838 K839	S832-E836 WeakPolarHBondContact CB-O 3.46Å; S832-E836 PolarHBondContact OG-O 3.42Å; S832-E836 VanDerWaalsContact OG-O 3.07Å; S834-E836 VanDerWaalsContact C-N 3.31Å; S834-E836 PolarHBondContact OG-N 2.91Å; S834-E836 VanDerWaalsContact OG-N 3.09Å; S834-E836 PolarHBondContact OG-O 3.38Å; E836-E838 PolarHBondContact O-N 2.98Å; E836-K839 HydrophobicContact CB-CB 4.46Å; E836-K839 HydrophobicContact CB-CD 4.12Å; E836-K839 HydrophobicContact CB-CG 4.07Å; E836-K839 VanDerWaalsContact CD-CE 3.47Å; E836-K839 VanDerWaalsContact CD-NZ 3.34Å; E836-K839 PolarHBondContact O-N 3.13Å; E836-K839 WeakPolarHBondContact OE1-CD 3.24Å; E836-K839 VanDerWaalsContact OE1-CE 3.24Å; E836-K839 WeakPolarHBondContact OE1-CE 3.31Å; E836-K839 IonicContact OE1-NZ 2.77Å; E836-K839 PolarHBondContact OE1-NZ 3.17Å; E836-K839 WeakPolarHBondContact OE2-CE 3.32Å; E836-K839 IonicContact OE2-NZ 2.77Å; E836-K839 PolarHBondContact OE2-NZ 3.5Å
837	A	92.6	Very high	95.3	Very high	28 Å²	28	42.3 Å²	42.3	23%	0.231	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.8	-172.5	0	0	0	0	0	114.3	T829 L831 K840	T829-A837 HydrophobicContact CG2-CB 4.43Å; L831-A837 HydrophobicContact CB-CB 4.02Å; L831-A837 HydrophobicContact CD1-CB 4.04Å; A837-K840 PolarHBondContact O-NZ 3.09Å
838	E	92.7	Very high	95.4	Very high	139 Å²	139	42.3 Å²	42.3	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.3	-177.8	-58.6	-53.7	149.3	0	0	113.3	E836 K840	E836-E838 PolarHBondContact O-N 2.98Å; E838-K840 PolarHBondContact O-N 3.07Å; E838-K840 VanDerWaalsContact O-N 3.13Å
839	K	94.6	Very high	95.6	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	25%	0.246	S	C	.	.			trans	-75.6	105	179.9	-71.2	-172.2	172.5	168.2	0	110.4	S832 E836 P843	S832-K839 WeakPolarHBondContact CB-O 3.48Å; S832-K839 PolarHBondContact OG-O 2.88Å; E836-K839 HydrophobicContact CB-CB 4.46Å; E836-K839 HydrophobicContact CB-CD 4.12Å; E836-K839 HydrophobicContact CB-CG 4.07Å; E836-K839 VanDerWaalsContact CD-CE 3.47Å; E836-K839 VanDerWaalsContact CD-NZ 3.34Å; E836-K839 PolarHBondContact O-N 3.13Å; E836-K839 WeakPolarHBondContact OE1-CD 3.24Å; E836-K839 VanDerWaalsContact OE1-CE 3.24Å; E836-K839 WeakPolarHBondContact OE1-CE 3.31Å; E836-K839 IonicContact OE1-NZ 2.77Å; E836-K839 PolarHBondContact OE1-NZ 3.17Å; E836-K839 WeakPolarHBondContact OE2-CE 3.32Å; E836-K839 IonicContact OE2-NZ 2.77Å; E836-K839 PolarHBondContact OE2-NZ 3.5Å; K839-P843 HydrophobicContact CB-CB 4.28Å; K839-P843 HydrophobicContact CB-CG 3.75Å; K839-P843 HydrophobicContact CD-CB 4.38Å
840	K	95.7	Very high	95.8	Very high	47 Å²	47	42.2 Å²	42.2	20%	0.204	24%	0.238	C	C	.	.			trans	-93.3	177.1	179.3	-54.5	-51.7	-177.3	-164.9	0	112.3	L831 A837 E838	L831-K840 PolarHBondContact O-NZ 3.17Å; A837-K840 PolarHBondContact O-NZ 3.09Å; E838-K840 PolarHBondContact O-N 3.07Å; E838-K840 VanDerWaalsContact O-N 3.13Å
841	G	96.3	Very high	95.9	Very high	6 Å²	6	45.4 Å²	45.4	6%	0.062	25%	0.248	C	C	.	.	S	Bend	trans	72.3	-129.5	-178.1	0	0	0	0	0	112.2	H669 N699	H669-G841 PolarHBondContact ND1-N 2.72Å; H669-G841 WeakPolarHBondContact O-CA 3.3Å; H669-G841 PolarHBondContact O-N 3.11Å; N699-G841 PolarHBondContact ND2-O 3.05Å
842	V	97.6	Very high	95.9	Very high	53 Å²	53	44.2 Å²	44.2	32%	0.321	24%	0.242	S	C	.	.	S	Bend	trans	-124.3	86.5	175.7	-173.2	0	0	0	0	108.2	S698 K702 L833	S698-V842 VanDerWaalsContact O-CG2 3.27Å; S698-V842 WeakPolarHBondContact O-CG2 3.49Å; K702-V842 HydrophobicContact CB-CG1 4.42Å; K702-V842 HydrophobicContact CB-CG2 3.83Å; K702-V842 HydrophobicContact CG-CG1 4.3Å; K702-V842 HydrophobicContact CG-CG2 4.5Å; L833-V842 HydrophobicContact CD1-CB 4.48Å; L833-V842 HydrophobicContact CD1-CG1 4.23Å; L833-V842 HydrophobicContact CD1-CG2 4.34Å
843	P	96.8	Very high	95.8	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.097	24%	0.242	C	C	.	.			trans	-60.6	146.8	178.9	-20.8	33.8	0	0	0	111.3	K839 F846	K839-P843 HydrophobicContact CB-CB 4.28Å; K839-P843 HydrophobicContact CB-CG 3.75Å; K839-P843 HydrophobicContact CD-CB 4.38Å; P843-F846 HydrophobicContact CB-CD1 4.21Å; P843-F846 HydrophobicContact CB-CE1 4.14Å; P843-F846 WeakPolarHBondContact O-CE1 3.46Å
844	T	96.3	Very high	95.6	Very high	117 Å²	117	48.6 Å²	48.6	72%	0.718	26%	0.258	S	S	*	.			trans	-131.7	166	177.7	58	0	0	0	0	110.3
845	G	96.5	Very high	95.5	Very high	59 Å²	59	49.5 Å²	49.5	61%	0.608	27%	0.266	S	S	*	.	S	Bend	trans	73.7	32.7	172.5	0	0	0	0	0	113.7	D799	D799-G845 VanDerWaalsContact OD2-C 3.31Å; D799-G845 WeakPolarHBondContact OD2-CA 3.5Å
846	F	97.6	Very high	95.7	Very high	9 Å²	9	47 Å²	47	4%	0.039	26%	0.256	C	S	.	.			trans	-127.9	141.8	-176.7	73	-87.7	0	0	0	112.1	A798 D799 P843 L848	A798-F846 WeakPolarHBondContact CA-O 3.34Å; A798-F846 HydrophobicContact CB-CD2 3.96Å; A798-F846 HydrophobicContact CB-CE2 3.44Å; A798-F846 VanDerWaalsContact CB-CE2 3.44Å; A798-F846 HydrophobicContact CB-CZ 3.78Å; D799-F846 PolarHBondContact N-O 2.83Å; D799-F846 PolarHBondContact OD2-N 2.87Å; P843-F846 HydrophobicContact CB-CD1 4.21Å; P843-F846 HydrophobicContact CB-CE1 4.14Å; P843-F846 WeakPolarHBondContact O-CE1 3.46Å; F846-L848 HydrophobicContact CE2-CD1 4.24Å
847	V	97.7	Very high	95.8	Very high	66 Å²	66	44.7 Å²	44.7	40%	0.4	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.9	170.9	178.2	0	0	0	0	108.5	D800 E802 H835 P849	D800-V847 WeakPolarHBondContact O-CA 3.37Å; E802-V847 HydrophobicContact CB-CG1 3.83Å; H835-V847 PolarHBondContact CE1-O 2.88Å; V847-P849 WeakPolarHBondContact O-CD 3.35Å
848	L	96.8	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.5	-177.4	-160.9	74.4	0	0	0	110.8	A792 Y796 D800 I801 E802 M826 H835 F846 I850 V866	A792-L848 HydrophobicContact CB-CD2 4.07Å; Y796-L848 HydrophobicContact CD2-CD2 4.01Å; Y796-L848 HydrophobicContact CE2-CD2 4.14Å; D800-L848 PolarHBondContact O-N 3.02Å; I801-L848 WeakPolarHBondContact CA-O 3.21Å; I801-L848 HydrophobicContact CG2-CB 4.27Å; E802-L848 PolarHBondContact N-O 2.79Å; M826-L848 HydrophobicContact CE-CD2 3.44Å; M826-L848 VanDerWaalsContact CE-CD2 3.44Å; H835-L848 HydrophobicContact CB-CD1 3.9Å; F846-L848 HydrophobicContact CE2-CD1 4.24Å; L848-I850 HydrophobicContact CD2-CD1 4.12Å; L848-I850 HydrophobicContact CG-CD1 4.36Å; L848-I850 PolarHBondContact O-N 3.45Å; L848-V866 HydrophobicContact CD1-CG1 3.67Å; L848-V866 HydrophobicContact CD2-CG1 4.45Å; L848-V866 HydrophobicContact CD2-CG2 3.97Å; L848-V866 HydrophobicContact CG-CG1 3.82Å; L848-V866 HydrophobicContact CG-CG2 4.18Å
849	P	97.3	Very high	96.3	Very high	26 Å²	26	36.8 Å²	36.8	17%	0.169	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.2	179.6	30.7	-33.5	0	0	0	110.3	V847 V866	V847-P849 WeakPolarHBondContact O-CD 3.35Å; P849-V866 WeakPolarHBondContact O-CA 3.46Å
850	I	97.6	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105	173.8	-49.1	-55.6	0	0	0	107.8	I788 I801 E802 L803 L804 A807 M826 L848 I853 P864 V866	I788-I850 HydrophobicContact CG2-CD1 3.83Å; I788-I850 HydrophobicContact CG2-CG1 4.11Å; I801-I850 HydrophobicContact CB-CG1 4.37Å; E802-I850 PolarHBondContact O-N 3.42Å; L803-I850 HydrophobicContact CD2-CB 3.66Å; L803-I850 HydrophobicContact CD2-CG1 3.77Å; L803-I850 HydrophobicContact CD2-CG2 3.97Å; L804-I850 WeakPolarHBondContact CB-O 2.97Å; L804-I850 PolarHBondContact N-O 3.13Å; A807-I850 HydrophobicContact CB-CB 4.41Å; A807-I850 HydrophobicContact CB-CG2 3.91Å; A807-I850 VanDerWaalsContact CB-O 3.26Å; A807-I850 WeakPolarHBondContact CB-O 3.35Å; M826-I850 HydrophobicContact CE-CD1 3.93Å; L848-I850 HydrophobicContact CD2-CD1 4.12Å; L848-I850 HydrophobicContact CG-CD1 4.36Å; L848-I850 PolarHBondContact O-N 3.45Å; I850-I853 HydrophobicContact CG2-CD1 4.32Å; I850-I853 HydrophobicContact CG2-CG1 3.96Å; I850-P864 HydrophobicContact CD1-CB 4.46Å; I850-P864 HydrophobicContact CG2-CB 3.82Å; I850-V866 HydrophobicContact CD1-CG2 4.01Å
851	R	95.8	Very high	96.6	Very high	122 Å²	122	30.8 Å²	30.8	46%	0.46	18%	0.18	S	C	.	.			trans	-83	-37.2	-171.4	-60.3	179.4	61.9	169.7	-2.1	113	L804 L865	L804-R851 HydrophobicContact CD1-CB 4.28Å; L804-R851 HydrophobicContact CD1-CG 3.92Å; R851-L865 PolarHBondContact N-O 2.79Å
852	D	93.8	Very high	96.7	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160.7	-175.5	-176	20.2	0	0	0	108.4	K810 R854 L865	K810-D852 VanDerWaalsContact CD-OD1 3.23Å; K810-D852 WeakPolarHBondContact CD-OD1 3.06Å; K810-D852 WeakPolarHBondContact CE-OD1 3.39Å; K810-D852 IonicContact NZ-OD1 3.89Å; K810-D852 PolarHBondContact NZ-OD1 2.64Å; K810-D852 IonicContact NZ-OD2 2.68Å; D852-R854 IonicContact OD2-NE 2.68Å; D852-L865 HydrophobicContact CB-CB 4.19Å; D852-L865 HydrophobicContact CB-CD1 3.86Å; D852-L865 PolarHBondContact O-N 2.95Å
853	I	94.2	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133	171.2	-55	-174.7	0	0	0	107.5	I784 I788 A807 K810 V811 Y814 I850 L862 P864	I784-I853 HydrophobicContact CG2-CD1 4.24Å; I788-I853 HydrophobicContact CD1-CD1 3.89Å; A807-I853 HydrophobicContact CB-CG1 4.16Å; K810-I853 HydrophobicContact CB-CB 4.48Å; K810-I853 WeakPolarHBondContact CD-O 3.24Å; V811-I853 HydrophobicContact CG2-CD1 3.34Å; Y814-I853 HydrophobicContact CD2-CG2 4.16Å; Y814-I853 HydrophobicContact CE2-CB 4.36Å; Y814-I853 HydrophobicContact CE2-CG2 4.02Å; Y814-I853 WeakPolarHBondContact CE2-O 3.34Å; Y814-I853 PolarHBondContact OH-O 2.68Å; I850-I853 HydrophobicContact CG2-CD1 4.32Å; I850-I853 HydrophobicContact CG2-CG1 3.96Å; I853-L862 HydrophobicContact CG2-CB 4.16Å; I853-P864 HydrophobicContact CG1-CB 4.19Å
854	R	93.3	Very high	96.5	Very high	93 Å²	93	28.2 Å²	28.2	35%	0.351	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	159.5	174.7	-65.2	-176.3	-175.7	-167.5	0.8	110.5	D852 L862 F863 L865	D852-R854 IonicContact OD2-NE 2.68Å; R854-L862 CarbonylContact O-C 3.56Å; R854-L862 WeakPolarHBondContact O-CA 3.14Å; R854-F863 HydrophobicContact CB-CD1 3.94Å; R854-F863 HydrophobicContact CB-CD2 3.99Å; R854-F863 HydrophobicContact CB-CE1 3.39Å; R854-F863 HydrophobicContact CB-CE2 3.49Å; R854-F863 VanDerWaalsContact CB-CE2 3.49Å; R854-F863 HydrophobicContact CB-CG 4.22Å; R854-F863 HydrophobicContact CB-CZ 3.17Å; R854-F863 HydrophobicContact CG-CE2 4.08Å; R854-F863 HydrophobicContact CG-CZ 4.04Å; R854-F863 PolarHBondContact N-O 2.91Å; R854-F863 VanDerWaalsContact O-CD1 3.32Å; R854-F863 WeakPolarHBondContact O-CD1 3.45Å; R854-F863 PolarHBondContact O-N 3.13Å; R854-L865 HydrophobicContact CG-CD1 4.16Å
855	A	94.4	Very high	96.4	Very high	20 Å²	20	23.7 Å²	23.7	17%	0.165	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.2	-179.7	0	0	0	0	0	110.8	Y814 V857 L862	Y814-A855 HydrophobicContact CD1-CB 4.39Å; Y814-A855 HydrophobicContact CE1-CB 3.94Å; Y814-A855 HydrophobicContact CE2-CB 4.12Å; A855-V857 HydrophobicContact CB-CG2 3.83Å; A855-L862 HydrophobicContact CB-CD2 3.55Å
856	S	96.9	Very high	96.3	Very high	10 Å²	10	21.1 Å²	21.1	7%	0.07	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	80.3	164.3	-69.3	0	0	0	0	107.4	E530 A859 G860 F861 F863	E530-S856 VanDerWaalsContact OE1-CA 3.24Å; E530-S856 WeakPolarHBondContact OE1-CA 3.48Å; S856-A859 PolarHBondContact O-N 3.18Å; S856-G860 PolarHBondContact O-N 3.39Å; S856-F861 PolarHBondContact N-O 3.02Å; S856-F861 PolarHBondContact O-N 2.93Å; S856-F863 VanDerWaalsContact OG-CE1 3.28Å; S856-F863 WeakPolarHBondContact OG-CE1 3.23Å
857	V	97.6	Very high	95.6	Very high	22 Å²	22	22 Å²	22	13%	0.133	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.7	-168.9	-179.5	0	0	0	0	112.3	E530 V552 F819 A855 G860	E530-V857 PolarHBondContact OE1-N 2.72Å; V552-V857 HydrophobicContact CB-CG2 4.23Å; V552-V857 HydrophobicContact CG2-CB 3.92Å; V552-V857 HydrophobicContact CG2-CG1 4.18Å; V552-V857 HydrophobicContact CG2-CG2 3.75Å; F819-V857 HydrophobicContact CD1-CG1 4.22Å; F819-V857 HydrophobicContact CD1-CG2 4.3Å; F819-V857 HydrophobicContact CD2-CG2 4.08Å; F819-V857 HydrophobicContact CE1-CG1 3.76Å; F819-V857 HydrophobicContact CE1-CG2 4.08Å; F819-V857 HydrophobicContact CE2-CG2 3.84Å; F819-V857 HydrophobicContact CG-CG2 4.32Å; F819-V857 HydrophobicContact CZ-CG1 4.14Å; F819-V857 HydrophobicContact CZ-CG2 3.85Å; A855-V857 HydrophobicContact CB-CG2 3.83Å; V857-G860 PolarHBondContact O-N 2.72Å
858	G	97.7	Very high	94.7	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.3	174.8	0	0	0	0	0	112	E530 R547 G860	E530-G858 WeakPolarHBondContact OE1-CA 2.97Å; E530-G858 PolarHBondContact OE1-N 3.02Å; R547-G858 VanDerWaalsContact CB-O 3.28Å; R547-G858 WeakPolarHBondContact CB-O 3.4Å; R547-G858 VanDerWaalsContact CG-O 3.27Å; R547-G858 WeakPolarHBondContact CG-O 3.28Å; R547-G858 PolarHBondContact NH1-O 2.95Å; R547-G858 WeakPolarHBondContact O-CA 3.17Å; G858-G860 VanDerWaalsContact C-N 3.29Å
859	A	97.9	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-30.1	172	0	0	0	0	0	112.1	E530 A533 V534 L537 R547 S856 F861	E530-A859 HydrophobicContact CG-CB 4.14Å; E530-A859 PolarHBondContact OE1-N 3.46Å; E530-A859 VanDerWaalsContact OE1-N 3.09Å; A533-A859 HydrophobicContact CB-CB 3.72Å; V534-A859 HydrophobicContact CG2-CB 4.28Å; L537-A859 HydrophobicContact CD1-CB 4.38Å; L537-A859 VanDerWaalsContact CD1-O 3.32Å; L537-A859 WeakPolarHBondContact CD1-O 3.34Å; R547-A859 PolarHBondContact NH1-O 2.69Å; S856-A859 PolarHBondContact O-N 3.18Å; A859-F861 HydrophobicContact CB-CD1 4.03Å; A859-F861 HydrophobicContact CB-CE1 3.46Å; A859-F861 VanDerWaalsContact CB-CE1 3.46Å; A859-F861 HydrophobicContact CB-CZ 3.97Å
860	G	97.9	Very high	92.8	Very high	4 Å²	4	29 Å²	29	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	49.1	177.4	0	0	0	0	0	113.2	Y649 P823 S856 V857 G858	Y649-G860 WeakPolarHBondContact CE2-O 3.35Å; Y649-G860 WeakPolarHBondContact OH-CA 3.5Å; Y649-G860 PolarHBondContact OH-O 3.42Å; P823-G860 WeakPolarHBondContact CD-O 3.32Å; S856-G860 PolarHBondContact O-N 3.39Å; V857-G860 PolarHBondContact O-N 2.72Å; G858-G860 VanDerWaalsContact C-N 3.29Å
861	F	98.5	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.5	169.4	53	-99.7	0	0	0	112	A533 L537 A605 I645 P823 C825 S856 A859 F863	A533-F861 HydrophobicContact CB-CE1 4.21Å; A533-F861 HydrophobicContact CB-CZ 4.11Å; L537-F861 HydrophobicContact CD1-CD1 4.14Å; L537-F861 HydrophobicContact CD1-CE1 3.95Å; A605-F861 HydrophobicContact CB-CZ 4.04Å; I645-F861 HydrophobicContact CD1-CB 4.4Å; I645-F861 HydrophobicContact CD1-CD1 4.47Å; I645-F861 HydrophobicContact CD1-CG 4.44Å; I645-F861 HydrophobicContact CG2-CD1 4.18Å; P823-F861 HydrophobicContact CB-CB 4.39Å; P823-F861 WeakPolarHBondContact O-CA 3.42Å; P823-F861 WeakPolarHBondContact O-CB 3.31Å; C825-F861 HydrophobicContact CB-CB 4.35Å; C825-F861 HydrophobicContact CB-CD2 3.54Å; C825-F861 HydrophobicContact CB-CE2 4.02Å; C825-F861 HydrophobicContact CB-CG 4.02Å; S856-F861 PolarHBondContact N-O 3.02Å; S856-F861 PolarHBondContact O-N 2.93Å; A859-F861 HydrophobicContact CB-CD1 4.03Å; A859-F861 HydrophobicContact CB-CE1 3.46Å; A859-F861 VanDerWaalsContact CB-CE1 3.46Å; A859-F861 HydrophobicContact CB-CZ 3.97Å; F861-F863 HydrophobicContact CD2-CB 4.34Å; F861-F863 HydrophobicContact CD2-CD1 4.25Å; F861-F863 HydrophobicContact CE2-CB 4.42Å; F861-F863 HydrophobicContact CE2-CD1 4.05Å
862	L	97.8	Very high	92	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.4	164.6	-57.3	178.9	0	0	0	108.7	I784 Y814 F819 L822 P823 I824 C825 I853 R854 A855	I784-L862 HydrophobicContact CD1-CD1 3.5Å; I784-L862 HydrophobicContact CG1-CD1 3.79Å; I784-L862 HydrophobicContact CG2-CD1 4.06Å; Y814-L862 HydrophobicContact CD2-CD1 4.5Å; Y814-L862 HydrophobicContact CD2-CD2 3.92Å; Y814-L862 HydrophobicContact CE2-CD2 4.39Å; Y814-L862 HydrophobicContact CG-CD2 4.26Å; F819-L862 HydrophobicContact CB-CD2 4.34Å; L822-L862 HydrophobicContact CB-CG 4.14Å; L822-L862 HydrophobicContact CD1-CD2 4.18Å; L822-L862 HydrophobicContact CD1-CG 4.43Å; P823-L862 PolarHBondContact O-N 3.47Å; I824-L862 CarbonylContact C-O 3.55Å; I824-L862 WeakPolarHBondContact CA-O 3.39Å; I824-L862 HydrophobicContact CD1-CB 4.13Å; C825-L862 PolarHBondContact N-O 3.04Å; I853-L862 HydrophobicContact CG2-CB 4.16Å; R854-L862 CarbonylContact O-C 3.56Å; R854-L862 WeakPolarHBondContact O-CA 3.14Å; A855-L862 HydrophobicContact CB-CD2 3.55Å
863	F	95.1	Very high	91.8	Very high	20 Å²	20	25 Å²	25	9%	0.088	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	98.8	179.1	61.7	-81.1	0	0	0	111.6	I604 C825 R854 S856 F861	I604-F863 HydrophobicContact CB-CD2 4.21Å; I604-F863 HydrophobicContact CB-CE2 4.24Å; C825-F863 HydrophobicContact CB-CB 4Å; C825-F863 WeakPolarHBondContact O-CA 2.99Å; C825-F863 WeakPolarHBondContact O-CB 3.44Å; R854-F863 HydrophobicContact CB-CD1 3.94Å; R854-F863 HydrophobicContact CB-CD2 3.99Å; R854-F863 HydrophobicContact CB-CE1 3.39Å; R854-F863 HydrophobicContact CB-CE2 3.49Å; R854-F863 VanDerWaalsContact CB-CE2 3.49Å; R854-F863 HydrophobicContact CB-CG 4.22Å; R854-F863 HydrophobicContact CB-CZ 3.17Å; R854-F863 HydrophobicContact CG-CE2 4.08Å; R854-F863 HydrophobicContact CG-CZ 4.04Å; R854-F863 PolarHBondContact N-O 2.91Å; R854-F863 VanDerWaalsContact O-CD1 3.32Å; R854-F863 WeakPolarHBondContact O-CD1 3.45Å; R854-F863 PolarHBondContact O-N 3.13Å; S856-F863 VanDerWaalsContact OG-CE1 3.28Å; S856-F863 WeakPolarHBondContact OG-CE1 3.23Å; F861-F863 HydrophobicContact CD2-CB 4.34Å; F861-F863 HydrophobicContact CD2-CD1 4.25Å; F861-F863 HydrophobicContact CE2-CB 4.42Å; F861-F863 HydrophobicContact CE2-CD1 4.05Å
864	P	96.4	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.1	174.3	-18.2	31.2	0	0	0	111.5	I788 I824 M826 A827 I850 I853	I788-P864 HydrophobicContact CD1-CB 4.12Å; I788-P864 HydrophobicContact CD1-CG 3.51Å; I788-P864 HydrophobicContact CG1-CG 3.74Å; I824-P864 HydrophobicContact CG2-CG 3.74Å; M826-P864 HydrophobicContact SD-CB 3.94Å; M826-P864 HydrophobicContact SD-CG 3.73Å; A827-P864 WeakPolarHBondContact CB-O 3.25Å; A827-P864 PolarHBondContact N-O 3.16Å; I850-P864 HydrophobicContact CD1-CB 4.46Å; I850-P864 HydrophobicContact CG2-CB 3.82Å; I853-P864 HydrophobicContact CG1-CB 4.19Å
865	L	94.8	Very high	91.6	Very high	23 Å²	23	24.2 Å²	24.2	12%	0.12	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.9	179.9	-68.8	165.8	0	0	0	109.7	A827 R851 D852 R854	A827-L865 HydrophobicContact CB-CD2 3.83Å; R851-L865 PolarHBondContact N-O 2.79Å; D852-L865 HydrophobicContact CB-CB 4.19Å; D852-L865 HydrophobicContact CB-CD1 3.86Å; D852-L865 PolarHBondContact O-N 2.95Å; R854-L865 HydrophobicContact CG-CD1 4.16Å
866	V	93.4	Very high	91.4	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.03	16%	0.163	C	C	.	.			trans	-89.2	-34.1	179.8	-178	0	0	0	0	111.4	M826 A827 K828 H835 L848 P849 I850	M826-V866 HydrophobicContact CE-CG2 3.67Å; A827-V866 WeakPolarHBondContact O-CB 3.49Å; A827-V866 PolarHBondContact O-N 2.94Å; K828-V866 HydrophobicContact CB-CB 3.97Å; K828-V866 HydrophobicContact CB-CG1 4.32Å; K828-V866 HydrophobicContact CB-CG2 4.04Å; H835-V866 HydrophobicContact CB-CG1 3.39Å; L848-V866 HydrophobicContact CD1-CG1 3.67Å; L848-V866 HydrophobicContact CD2-CG1 4.45Å; L848-V866 HydrophobicContact CD2-CG2 3.97Å; L848-V866 HydrophobicContact CG-CG1 3.82Å; L848-V866 HydrophobicContact CG-CG2 4.18Å; P849-V866 WeakPolarHBondContact O-CA 3.46Å; I850-V866 HydrophobicContact CD1-CG2 4.01Å
867	G	83.6	Confident	91.1	Very high	27 Å²	27	32.2 Å²	32.2	28%	0.278	20%	0.204	S	C	.	.	S	Bend	trans	-138.6	174.4	-179.9	0	0	0	0	0	112.3
868	T	77.8	Confident	90.7	Very high	117 Å²	117	37.7 Å²	37.7	72%	0.718	22%	0.222	S	C	*	.			trans	-79.1	124.3	172	41.6	0	0	0	0	110
869	M	76.3	Confident	90.4	Very high	41 Å²	41	38 Å²	38	20%	0.202	22%	0.223	C	C	.	.			trans	-126.3	125.5	174.7	-62.2	-173.8	-163.6	0	0	109.9	N603 A827 K828 T871	N603-M869 HydrophobicContact CB-CE 4.2Å; N603-M869 HydrophobicContact CB-SD 3.47Å; N603-M869 WeakPolarHBondContact CB-SD 3.27Å; N603-M869 PolarHBondContact ND2-SD 2.9Å; A827-M869 HydrophobicContact CB-CE 4.34Å; A827-M869 WeakPolarHBondContact O-CE 3.41Å; K828-M869 VanDerWaalsContact N-CE 3.29Å; K828-M869 WeakPolarHBondContact O-CE 3.21Å; M869-T871 PolarHBondContact O-N 2.92Å
870	P	78.9	Confident	89.8	Confident	80 Å²	80	39 Å²	39	52%	0.519	23%	0.231	S	C	.	.			trans	-67	121.5	170.4	27.9	-30.9	0	0	0	108.8	I872	P870-I872 VanDerWaalsContact C-N 3.35Å
871	T	85.1	Confident	89.5	Confident	24 Å²	24	43 Å²	43	15%	0.147	25%	0.247	C	C	.	.	S	Bend	trans	-81.4	-17.1	174.6	45.5	0	0	0	0	112.4	D524 I525 I604 M869	D524-T871 WeakPolarHBondContact OD1-CB 3.24Å; D524-T871 PolarHBondContact OD1-OG1 3.39Å; I525-T871 VanDerWaalsContact CG2-O 3.29Å; I525-T871 WeakPolarHBondContact CG2-O 3.43Å; I525-T871 PolarHBondContact N-O 3.36Å; I604-T871 HydrophobicContact CD1-CG2 4.21Å; M869-T871 PolarHBondContact O-N 2.92Å
872	I	91.2	Very high	89.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-122.8	117.2	165.2	-166.9	163.6	0	0	0	110	D500 R504 F523 P870	D500-I872 HydrophobicContact CB-CD1 4.29Å; D500-I872 WeakPolarHBondContact O-CD1 3.39Å; R504-I872 HydrophobicContact CB-CG2 4.38Å; R504-I872 HydrophobicContact CG-CG2 3.31Å; R504-I872 PolarHBondContact NE-O 2.85Å; R504-I872 PolarHBondContact NH2-O 2.82Å; F523-I872 HydrophobicContact CB-CD1 4.12Å; F523-I872 VanDerWaalsContact O-CG2 3.27Å; F523-I872 WeakPolarHBondContact O-CG2 3.41Å; P870-I872 VanDerWaalsContact C-N 3.35Å
873	P	89.6	Confident	88.8	Confident	36 Å²	36	54.3 Å²	54.3	23%	0.234	30%	0.298	C	S	.	.			trans	-67.7	164.8	177.2	-16.5	30.3	0	0	0	112.1	N499 D500 I525	N499-P873 CarbonylContact C-O 3.59Å; N499-P873 WeakPolarHBondContact CA-O 3.42Å; N499-P873 HydrophobicContact CB-CB 4.32Å; N499-P873 WeakPolarHBondContact OD1-CG 3.41Å; D500-P873 PolarHBondContact N-O 2.92Å; I525-P873 HydrophobicContact CD1-CG 4.32Å
874	G	91.6	Very high	88.7	Confident	21 Å²	21	55 Å²	55	22%	0.216	30%	0.301	C	S	.	.			trans	-110.8	152.4	172.1	0	0	0	0	0	111.1
875	L	91.2	Very high	88.6	Confident	56 Å²	56	60.5 Å²	60.5	29%	0.293	33%	0.331	S	S	.	.			trans	-66.4	143.9	170.2	-68.3	167.4	0	0	0	111.5	N499 R501 P879 F881	N499-L875 HydrophobicContact CB-CD2 4.09Å; N499-L875 HydrophobicContact CB-CG 4.22Å; N499-L875 WeakPolarHBondContact O-CG 3.39Å; R501-L875 PolarHBondContact NH2-O 2.68Å; L875-P879 HydrophobicContact CB-CG 3.98Å; L875-P879 HydrophobicContact CD2-CB 4.13Å; L875-P879 HydrophobicContact CD2-CG 4.29Å; L875-P879 HydrophobicContact CG-CG 4.49Å; L875-F881 HydrophobicContact CD1-CE1 3.84Å; L875-F881 HydrophobicContact CD2-CE1 4.17Å
876	P	90.3	Very high	88.6	Confident	49 Å²	49	63.6 Å²	63.6	32%	0.318	35%	0.347	S	S	.	.			trans	-74.1	175.1	171.9	33.3	-35.9	0	0	0	111.6	G381 I382 R878 P879	G381-P876 WeakPolarHBondContact O-CG 3.5Å; I382-P876 HydrophobicContact CG1-CG 4.34Å; P876-R878 VanDerWaalsContact C-N 3.28Å; P876-R878 PolarHBondContact O-N 2.88Å; P876-P879 HydrophobicContact CG-CB 4.5Å; P876-P879 HydrophobicContact CG-CG 4.41Å; P876-P879 WeakPolarHBondContact O-CD 3.4Å; P876-P879 WeakPolarHBondContact O-CG 3.35Å
877	T	90.9	Very high	88.6	Confident	149 Å²	149	66 Å²	66	91%	0.914	36%	0.36	S	S	*	.	S	Bend	trans	-59.3	-38	177.8	-52.2	0	0	0	0	112.7
878	R	88.8	Confident	89.2	Confident	138 Å²	138	71 Å²	71	52%	0.521	39%	0.385	S	S	.	.	S	Bend	trans	-119.9	92.6	171.5	-178.7	177.7	175.1	70.4	5.2	109.3	P876 D883	P876-R878 VanDerWaalsContact C-N 3.28Å; P876-R878 PolarHBondContact O-N 2.88Å; R878-D883 IonicContact CZ-OD2 2.88Å; R878-D883 IonicContact NE-OD2 3.82Å; R878-D883 VanDerWaalsContact NH2-CG 3.3Å; R878-D883 IonicContact NH2-OD1 2.8Å; R878-D883 PolarHBondContact NH2-OD1 3.25Å; R878-D883 IonicContact NH2-OD2 2.68Å; R878-D883 PolarHBondContact NH2-OD2 2.88Å; R878-D883 VanDerWaalsContact NH2-OD2 3.09Å
879	P	90.3	Very high	90.1	Very high	7 Å²	7	73.9 Å²	73.9	5%	0.045	39%	0.391	C	S	.	.			trans	-69	153.2	174.6	-23.2	37.6	0	0	0	112.7	F380 G381 L875 P876 F881 Y882	F380-P879 WeakPolarHBondContact O-CB 3.46Å; G381-P879 CarbonylContact O-C 3.51Å; G381-P879 WeakPolarHBondContact O-CA 3.31Å; L875-P879 HydrophobicContact CB-CG 3.98Å; L875-P879 HydrophobicContact CD2-CB 4.13Å; L875-P879 HydrophobicContact CD2-CG 4.29Å; L875-P879 HydrophobicContact CG-CG 4.49Å; P876-P879 HydrophobicContact CG-CB 4.5Å; P876-P879 HydrophobicContact CG-CG 4.41Å; P876-P879 WeakPolarHBondContact O-CD 3.4Å; P876-P879 WeakPolarHBondContact O-CG 3.35Å; P879-F881 HydrophobicContact CB-CD1 3.58Å; P879-F881 HydrophobicContact CB-CD2 4.22Å; P879-F881 HydrophobicContact CB-CE1 3.36Å; P879-F881 HydrophobicContact CB-CE2 3.99Å; P879-F881 HydrophobicContact CB-CG 4.01Å; P879-F881 HydrophobicContact CB-CZ 3.57Å; P879-F881 HydrophobicContact CG-CD1 4.36Å; P879-F881 HydrophobicContact CG-CE1 3.64Å; P879-F881 HydrophobicContact CG-CE2 4.13Å; P879-F881 HydrophobicContact CG-CZ 3.48Å; P879-F881 VanDerWaalsContact CG-CZ 3.48Å; P879-F881 PolarHBondContact O-N 3.17Å; P879-Y882 WeakPolarHBondContact O-CD2 3.39Å; P879-Y882 PolarHBondContact O-N 2.92Å
880	C	87.3	Confident	90.9	Very high	23 Å²	23	75.2 Å²	75.2	16%	0.155	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.8	178.7	-74.8	0	0	0	0	113.9	F380 G381 I382 Y882 D883 I884	F380-C880 PolarHBondContact O-N 2.78Å; G381-C880 PolarHBondContact O-N 3.35Å; I382-C880 PolarHBondContact O-SG 2.93Å; C880-Y882 PolarHBondContact O-N 2.9Å; C880-D883 PolarHBondContact O-N 3.41Å; C880-I884 PolarHBondContact O-N 3.37Å
881	F	90.7	Very high	91.4	Very high	88 Å²	88	79 Å²	79	39%	0.386	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-59.6	-14.2	177.7	63.2	-126.2	0	0	0	114.5	F380 L875 P879 D883 I884	F380-F881 HydrophobicContact CB-CB 4.44Å; F380-F881 HydrophobicContact CB-CD1 4.31Å; F380-F881 HydrophobicContact CD1-CB 4.1Å; F380-F881 WeakPolarHBondContact O-CD1 3.21Å; F380-F881 PolarHBondContact O-N 2.76Å; L875-F881 HydrophobicContact CD1-CE1 3.84Å; L875-F881 HydrophobicContact CD2-CE1 4.17Å; P879-F881 HydrophobicContact CB-CD1 3.58Å; P879-F881 HydrophobicContact CB-CD2 4.22Å; P879-F881 HydrophobicContact CB-CE1 3.36Å; P879-F881 HydrophobicContact CB-CE2 3.99Å; P879-F881 HydrophobicContact CB-CG 4.01Å; P879-F881 HydrophobicContact CB-CZ 3.57Å; P879-F881 HydrophobicContact CG-CD1 4.36Å; P879-F881 HydrophobicContact CG-CE1 3.64Å; P879-F881 HydrophobicContact CG-CE2 4.13Å; P879-F881 HydrophobicContact CG-CZ 3.48Å; P879-F881 VanDerWaalsContact CG-CZ 3.48Å; P879-F881 PolarHBondContact O-N 3.17Å; F881-D883 PolarHBondContact O-N 3.35Å; F881-I884 HydrophobicContact CB-CD1 4.42Å; F881-I884 PolarHBondContact O-N 2.96Å
882	Y	91.7	Very high	91.7	Very high	144 Å²	144	82 Å²	82	57%	0.565	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-62.2	-29	172.2	-90.7	-107.9	0	0	0	112.5	P879 C880	P879-Y882 WeakPolarHBondContact O-CD2 3.39Å; P879-Y882 PolarHBondContact O-N 2.92Å; C880-Y882 PolarHBondContact O-N 2.9Å
883	D	90	Very high	91.6	Very high	93 Å²	93	83.5 Å²	83.5	50%	0.497	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.9	-176.4	-57.6	-51.2	0	0	0	111.2	R878 C880 F881 G895	R878-D883 IonicContact CZ-OD2 2.88Å; R878-D883 IonicContact NE-OD2 3.82Å; R878-D883 VanDerWaalsContact NH2-CG 3.3Å; R878-D883 IonicContact NH2-OD1 2.8Å; R878-D883 PolarHBondContact NH2-OD1 3.25Å; R878-D883 IonicContact NH2-OD2 2.68Å; R878-D883 PolarHBondContact NH2-OD2 2.88Å; R878-D883 VanDerWaalsContact NH2-OD2 3.09Å; C880-D883 PolarHBondContact O-N 3.41Å; F881-D883 PolarHBondContact O-N 3.35Å; D883-G895 VanDerWaalsContact O-CA 3.26Å; D883-G895 WeakPolarHBondContact O-CA 3.26Å
884	I	91.9	Very high	91.6	Very high	33 Å²	33	85 Å²	85	17%	0.169	44%	0.44	C	S	.	.			trans	-82	127.8	179.8	-62.8	171.8	0	0	0	110.5	F380 C880 F881 V893 N894 G895 L896	F380-I884 HydrophobicContact CD1-CD1 3.73Å; F380-I884 HydrophobicContact CE1-CD1 4Å; F380-I884 HydrophobicContact CE1-CG2 4.46Å; C880-I884 PolarHBondContact O-N 3.37Å; F881-I884 HydrophobicContact CB-CD1 4.42Å; F881-I884 PolarHBondContact O-N 2.96Å; I884-V893 HydrophobicContact CG2-CG1 4.4Å; I884-N894 VanDerWaalsContact CA-O 3.24Å; I884-N894 WeakPolarHBondContact CA-O 3.42Å; I884-G895 WeakPolarHBondContact CG1-O 3.44Å; I884-L896 HydrophobicContact CD1-CD1 3.66Å; I884-L896 HydrophobicContact CG1-CD1 4.26Å
885	D	94.2	Very high	91.4	Very high	116 Å²	116	85.8 Å²	85.8	62%	0.62	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	172.5	174	-154.8	-1.7	0	0	0	111.5	V893 N894	D885-V893 CarbonylContact O-C 3.54Å; D885-V893 WeakPolarHBondContact O-CA 3.49Å; D885-N894 PolarHBondContact N-O 3.13Å; D885-N894 VanDerWaalsContact N-O 3.12Å; D885-N894 PolarHBondContact O-N 3.11Å
886	L	95	Very high	91	Very high	89 Å²	89	83.3 Å²	83.3	47%	0.466	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.2	176.2	-175.5	71.4	0	0	0	109.8	T888 E891 V893	L886-T888 PolarHBondContact O-N 3.43Å; L886-E891 VanDerWaalsContact CD1-O 3.31Å; L886-E891 WeakPolarHBondContact CD1-O 3.1Å; L886-V893 HydrophobicContact CD1-CG2 4.02Å
887	D	94.9	Very high	90.6	Very high	54 Å²	54	83 Å²	83	29%	0.289	43%	0.428	S	S	.	.			trans	-66.4	117.9	168.6	-179.2	-31.3	0	0	0	109.4	E889 T890 E891 Q892	D887-E889 VanDerWaalsContact C-N 3.28Å; D887-E889 PolarHBondContact O-N 3.27Å; D887-E889 PolarHBondContact OD1-N 2.68Å; D887-T890 VanDerWaalsContact CB-OG1 3.31Å; D887-T890 WeakPolarHBondContact CB-OG1 3.38Å; D887-T890 PolarHBondContact OD1-N 2.98Å; D887-T890 PolarHBondContact OD1-OG1 3.43Å; D887-T890 PolarHBondContact OD2-OG1 2.92Å; D887-E891 WeakPolarHBondContact O-CA 3.41Å; D887-E891 PolarHBondContact O-N 3.49Å; D887-Q892 HydrophobicContact CB-CB 4.48Å; D887-Q892 PolarHBondContact N-O 3.49Å
888	T	95.9	Very high	90.6	Very high	133 Å²	133	79.7 Å²	79.7	82%	0.816	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-12.6	-174.7	55.6	0	0	0	0	114.4	L886	L886-T888 PolarHBondContact O-N 3.43Å
889	E	95.6	Very high	90.7	Very high	177 Å²	177	76.6 Å²	76.6	83%	0.827	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-43.4	176.6	-63.3	-173.7	176.4	0	0	111.3	D887	D887-E889 VanDerWaalsContact C-N 3.28Å; D887-E889 PolarHBondContact O-N 3.27Å; D887-E889 PolarHBondContact OD1-N 2.68Å
890	T	92.8	Very high	90.7	Very high	70 Å²	70	80.4 Å²	80.4	43%	0.429	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-11.2	-175.9	70.4	0	0	0	0	114	D887 Q892	D887-T890 VanDerWaalsContact CB-OG1 3.31Å; D887-T890 WeakPolarHBondContact CB-OG1 3.38Å; D887-T890 PolarHBondContact OD1-N 2.98Å; D887-T890 PolarHBondContact OD1-OG1 3.43Å; D887-T890 PolarHBondContact OD2-OG1 2.92Å; T890-Q892 PolarHBondContact O-N 3.23Å; T890-Q892 WeakPolarHBondContact OG1-CB 3.48Å; T890-Q892 WeakPolarHBondContact OG1-CG 3.24Å; T890-Q892 PolarHBondContact OG1-N 2.94Å
891	E	90.9	Very high	90.9	Very high	158 Å²	158	83.8 Å²	83.8	74%	0.738	43%	0.432	S	S	*	.			trans	59	18.2	-172.1	-56.4	-178.1	173	0	0	113.6	L886 D887	L886-E891 VanDerWaalsContact CD1-O 3.31Å; L886-E891 WeakPolarHBondContact CD1-O 3.1Å; D887-E891 WeakPolarHBondContact O-CA 3.41Å; D887-E891 PolarHBondContact O-N 3.49Å
892	Q	90.2	Very high	90.9	Very high	89 Å²	89	83.6 Å²	83.6	42%	0.416	44%	0.435	S	S	.	.			trans	-81.2	136.3	179.8	-68.5	-176	15.8	0	0	112.1	D887 T890	D887-Q892 HydrophobicContact CB-CB 4.48Å; D887-Q892 PolarHBondContact N-O 3.49Å; T890-Q892 PolarHBondContact O-N 3.23Å; T890-Q892 WeakPolarHBondContact OG1-CB 3.48Å; T890-Q892 WeakPolarHBondContact OG1-CG 3.24Å; T890-Q892 PolarHBondContact OG1-N 2.94Å
893	V	90.4	Very high	90.9	Very high	31 Å²	31	79.5 Å²	79.5	19%	0.188	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.1	-179.7	-174.8	0	0	0	0	110.9	R286 I884 D885 L886 L896	R286-V893 PolarHBondContact NH2-O 3.08Å; I884-V893 HydrophobicContact CG2-CG1 4.4Å; D885-V893 CarbonylContact O-C 3.54Å; D885-V893 WeakPolarHBondContact O-CA 3.49Å; L886-V893 HydrophobicContact CD1-CG2 4.02Å; V893-L896 HydrophobicContact CG1-CB 4.07Å; V893-L896 HydrophobicContact CG1-CD2 4.2Å
894	N	89.8	Confident	90.9	Very high	68 Å²	68	78.6 Å²	78.6	36%	0.364	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	153.2	177.2	-65	-45.2	0	0	0	111.4	I884 D885 L896	I884-N894 VanDerWaalsContact CA-O 3.24Å; I884-N894 WeakPolarHBondContact CA-O 3.42Å; D885-N894 PolarHBondContact N-O 3.13Å; D885-N894 VanDerWaalsContact N-O 3.12Å; D885-N894 PolarHBondContact O-N 3.11Å; N894-L896 VanDerWaalsContact C-N 3.28Å; N894-L896 PolarHBondContact O-N 3.44Å; N894-L896 VanDerWaalsContact O-N 3.14Å
895	G	85.6	Confident	90.9	Very high	36 Å²	36	82.1 Å²	82.1	37%	0.371	44%	0.441	S	S	.	.	S	Bend	trans	68	6.9	172.1	0	0	0	0	0	118.5	D883 I884 F897	D883-G895 VanDerWaalsContact O-CA 3.26Å; D883-G895 WeakPolarHBondContact O-CA 3.26Å; I884-G895 WeakPolarHBondContact CG1-O 3.44Å; G895-F897 VanDerWaalsContact C-N 3.29Å; G895-F897 PolarHBondContact O-N 3.01Å
896	L	84	Confident	90.6	Very high	4 Å²	4	79.3 Å²	79.3	2%	0.021	43%	0.426	C	S	.	.			trans	-70.2	-23.7	177.6	-160.1	65.1	0	0	0	113.4	T379 G384 E398 L402 I884 V893 N894	T379-L896 HydrophobicContact CG2-CD1 3.3Å; T379-L896 HydrophobicContact CG2-CG 3.96Å; G384-L896 PolarHBondContact N-O 2.88Å; E398-L896 HydrophobicContact CB-CD2 4.47Å; E398-L896 HydrophobicContact CG-CD2 4.35Å; L402-L896 HydrophobicContact CD1-CD2 4.29Å; L402-L896 HydrophobicContact CD2-CD1 4.34Å; L402-L896 HydrophobicContact CD2-CD2 4.32Å; L402-L896 HydrophobicContact CG-CD2 4.2Å; I884-L896 HydrophobicContact CD1-CD1 3.66Å; I884-L896 HydrophobicContact CG1-CD1 4.26Å; V893-L896 HydrophobicContact CG1-CB 4.07Å; V893-L896 HydrophobicContact CG1-CD2 4.2Å; N894-L896 VanDerWaalsContact C-N 3.28Å; N894-L896 PolarHBondContact O-N 3.44Å; N894-L896 VanDerWaalsContact O-N 3.14Å
897	F	81.9	Confident	90.2	Very high	42 Å²	42	78.4 Å²	78.4	18%	0.184	42%	0.422	C	S	.	.			trans	-145.2	0	-170.9	-54	-69.7	0	0	0	114.5	I282 K383 M397 E398 N401 G895	I282-F897 HydrophobicContact CB-CB 4.02Å; I282-F897 HydrophobicContact CB-CD2 3.9Å; I282-F897 HydrophobicContact CB-CG 4.36Å; I282-F897 HydrophobicContact CD1-CD2 3.73Å; I282-F897 HydrophobicContact CD1-CE2 3.97Å; I282-F897 HydrophobicContact CG1-CD2 3.92Å; I282-F897 HydrophobicContact CG2-CB 4.22Å; K383-F897 WeakPolarHBondContact CE-OXT 3.16Å; K383-F897 PolarHBondContact NZ-OXT 3.11Å; M397-F897 HydrophobicContact CB-CE2 4.43Å; M397-F897 HydrophobicContact CB-CZ 4.43Å; M397-F897 HydrophobicContact CE-CB 4.25Å; M397-F897 HydrophobicContact CE-CD1 3.18Å; M397-F897 HydrophobicContact CE-CD2 4.15Å; M397-F897 HydrophobicContact CE-CE1 3.37Å; M397-F897 HydrophobicContact CE-CE2 4.28Å; M397-F897 HydrophobicContact CE-CG 3.6Å; M397-F897 HydrophobicContact CE-CZ 3.94Å; M397-F897 HydrophobicContact CG-CE1 3.96Å; M397-F897 HydrophobicContact CG-CE2 3.94Å; M397-F897 HydrophobicContact CG-CZ 3.6Å; E398-F897 HydrophobicContact CG-CE2 3.96Å; N401-F897 HydrophobicContact CB-CE1 4.2Å; N401-F897 HydrophobicContact CB-CZ 3.92Å; N401-F897 WeakPolarHBondContact ND2-CE1 3.49Å; N401-F897 WeakPolarHBondContact ND2-CZ 3.49Å; G895-F897 VanDerWaalsContact C-N 3.29Å; G895-F897 PolarHBondContact O-N 3.01Å

Retrieved 897 of 897 residues in 560.8 ms (Link to these results)

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