A0A087XGF0_POEFO Loading...

RNA 3'-terminal phosphate cyclase

Catalyzes the conversion of 3'-phosphate to a 2',3'-cyclic phosphodiester at the end of RNA. The mechanism of action of the enzyme occurs in 3 steps: (A) adenylation of the enzyme by ATP; (B) transfer of adenylate to an RNA-N3'P to produce RNA-N3'PP5'A; (C) and attack of the adjacent 2'-hydroxyl on the 3'-phosphorus in the diester linkage to produce the cyclic end product. Likely functions in some aspects of cellular RNA processing. Function plays an important role in regulating axon regeneration by inhibiting central nervous system (CNS) axon regeneration following optic nerve injury.

AlphaFold DB , UniProt , Accession A0A087XGF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 aa.

Structure Viewer

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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	36.1	Very low	80.6	Confident	241 Å²	241	81.5 Å²	81.5	100%	1.187	48%	0.482	S	S	*	.				0	109.5	0	-76.1	177.8	-176.1	0	0	105.4	S3	M1-S3 PolarHBondContact O-N 2.69Å
2	D	46.3	Very low	81.2	Confident	175 Å²	175	78.1 Å²	78.1	94%	0.936	46%	0.462	S	S	*	.			trans	-65.8	104.4	176.7	-77.2	-22.7	0	0	0	108.1	A4	D2-A4 PolarHBondContact O-N 2.98Å
3	S	63.5	Low	81.9	Confident	94 Å²	94	79.3 Å²	79.3	66%	0.657	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-61.3	132	167.6	178.4	0	0	0	0	107.9	M1 A5	M1-S3 PolarHBondContact O-N 2.69Å; S3-A5 PolarHBondContact O-N 2.9Å
4	A	81.8	Confident	82.4	Confident	87 Å²	87	75.5 Å²	75.5	72%	0.719	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-57.4	135.3	176	0	0	0	0	0	109.8	D2 V6	D2-A4 PolarHBondContact O-N 2.98Å; A4-V6 PolarHBondContact O-N 3.44Å
5	A	90.4	Very high	82.4	Confident	53 Å²	53	70.7 Å²	70.7	44%	0.438	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.1	135.7	-179.2	0	0	0	0	0	111	S3 E7 A33	S3-A5 PolarHBondContact O-N 2.9Å; A5-E7 PolarHBondContact O-N 2.85Å; A5-A33 CarbonylContact C-O 3.59Å; A5-A33 VanDerWaalsContact CA-O 3.3Å; A5-A33 WeakPolarHBondContact CA-O 3.28Å; A5-A33 HydrophobicContact CB-CB 3.99Å
6	V	95.8	Very high	82.9	Confident	47 Å²	47	66.4 Å²	66.4	29%	0.285	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.8	175.1	-176.3	0	0	0	0	108.4	A4 I8 A33 I34 K35 L331	A4-V6 PolarHBondContact O-N 3.44Å; V6-I8 HydrophobicContact CG1-CG1 4.47Å; V6-A33 PolarHBondContact N-O 3.31Å; V6-I34 HydrophobicContact CB-CG2 4.4Å; V6-I34 CarbonylContact O-C 3.56Å; V6-I34 WeakPolarHBondContact O-CA 3.46Å; V6-K35 PolarHBondContact O-N 2.65Å; V6-L331 HydrophobicContact CB-CD2 3.97Å; V6-L331 HydrophobicContact CG1-CD2 3.88Å; V6-L331 HydrophobicContact CG2-CD2 4.23Å
7	E	97.3	Very high	83.3	Confident	109 Å²	109	63.1 Å²	63.1	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132	176.4	-167.8	168.8	94	0	0	110.7	A5 K35 I37	A5-E7 PolarHBondContact O-N 2.85Å; E7-K35 CarbonylContact C-O 3.52Å; E7-K35 WeakPolarHBondContact CA-O 3.49Å; E7-K35 IonicContact OE2-NZ 3.45Å; E7-K35 PolarHBondContact OE2-NZ 2.88Å; E7-I37 HydrophobicContact CG-CD1 4.14Å; E7-I37 HydrophobicContact CG-CG1 4.24Å; E7-I37 HydrophobicContact CG-CG2 4.19Å; E7-I37 WeakPolarHBondContact OE1-CD1 3.42Å
8	I	96.6	Very high	83.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.3	-176.5	-57.4	173	0	0	0	107.9	V6 G10 I19 S23 I34 K35 I36 I37 I327 L331	V6-I8 HydrophobicContact CG1-CG1 4.47Å; I8-G10 PolarHBondContact O-N 3.47Å; I8-I19 HydrophobicContact CG2-CG2 3.89Å; I8-S23 WeakPolarHBondContact CD1-OG 3.45Å; I8-I34 HydrophobicContact CD1-CB 4.22Å; I8-I34 HydrophobicContact CD1-CD1 4.45Å; I8-I34 HydrophobicContact CD1-CG2 4.14Å; I8-K35 PolarHBondContact N-O 2.76Å; I8-I36 HydrophobicContact CB-CG1 4.28Å; I8-I36 HydrophobicContact CD1-CG1 4.35Å; I8-I36 HydrophobicContact CG2-CG2 4.48Å; I8-I36 CarbonylContact O-C 3.53Å; I8-I36 WeakPolarHBondContact O-CA 3.2Å; I8-I37 PolarHBondContact O-N 3.03Å; I8-I327 HydrophobicContact CG2-CD1 3.67Å; I8-L331 HydrophobicContact CD1-CD1 3.81Å; I8-L331 HydrophobicContact CD1-CD2 4.18Å; I8-L331 HydrophobicContact CD1-CG 4.26Å
9	D	95.3	Very high	84.5	Confident	44 Å²	44	56.8 Å²	56.8	24%	0.235	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	105.7	174.2	-172.1	-30.1	0	0	0	110.1	S11 V12 I37 K38	D9-S11 PolarHBondContact O-N 3.19Å; D9-S11 VanDerWaalsContact O-N 3.15Å; D9-S11 VanDerWaalsContact OD1-CB 3.28Å; D9-S11 WeakPolarHBondContact OD1-CB 3.38Å; D9-S11 PolarHBondContact OD1-N 2.97Å; D9-S11 PolarHBondContact OD1-OG 3.01Å; D9-V12 HydrophobicContact CB-CG1 3.78Å; D9-V12 VanDerWaalsContact O-CG2 3.22Å; D9-V12 WeakPolarHBondContact O-CG2 3.18Å; D9-V12 PolarHBondContact O-N 3.41Å; D9-I37 HydrophobicContact CB-CG1 4.49Å; D9-K38 IonicContact OD2-NZ 2.63Å; D9-K38 PolarHBondContact OD2-NZ 2.79Å
10	G	92.6	Very high	85.1	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	4.9	-179.4	0	0	0	0	0	115.4	I8 I37 K38 R40	I8-G10 PolarHBondContact O-N 3.47Å; G10-I37 WeakPolarHBondContact CA-O 3.45Å; G10-I37 PolarHBondContact N-O 3.36Å; G10-K38 CarbonylContact C-O 3.41Å; G10-R40 PolarHBondContact O-N 2.78Å
11	S	90.6	Very high	85.7	Confident	42 Å²	42	53.4 Å²	53.4	29%	0.294	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-11.9	173.8	75.1	0	0	0	0	113.8	D9 K38	D9-S11 PolarHBondContact O-N 3.19Å; D9-S11 VanDerWaalsContact O-N 3.15Å; D9-S11 VanDerWaalsContact OD1-CB 3.28Å; D9-S11 WeakPolarHBondContact OD1-CB 3.38Å; D9-S11 PolarHBondContact OD1-N 2.97Å; D9-S11 PolarHBondContact OD1-OG 3.01Å; S11-K38 PolarHBondContact N-O 3.13Å
12	V	88.2	Confident	88.6	Confident	41 Å²	41	42.7 Å²	42.7	25%	0.248	26%	0.257	C	S	.	.	S	Bend	trans	-69.4	155	-177.6	-55.5	0	0	0	0	112.1	D9 E14 G15 I19	D9-V12 HydrophobicContact CB-CG1 3.78Å; D9-V12 VanDerWaalsContact O-CG2 3.22Å; D9-V12 WeakPolarHBondContact O-CG2 3.18Å; D9-V12 PolarHBondContact O-N 3.41Å; V12-E14 PolarHBondContact O-N 3.3Å; V12-G15 WeakPolarHBondContact O-CA 3.29Å; V12-G15 PolarHBondContact O-N 2.96Å; V12-I19 HydrophobicContact CG2-CD1 4.27Å; V12-I19 WeakPolarHBondContact O-CD1 3.32Å
13	M	90.7	Very high	91.1	Very high	94 Å²	94	34.4 Å²	34.4	46%	0.463	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-121.2	174.9	-55.8	-65.2	-142	0	0	112.6	G15 L319 T323 H326	M13-G15 PolarHBondContact O-N 3.37Å; M13-L319 HydrophobicContact CB-CD1 4.27Å; M13-T323 HydrophobicContact CB-CG2 4.17Å; M13-T323 WeakPolarHBondContact CB-OG1 3.33Å; M13-H326 HydrophobicContact CE-CB 4.34Å
14	E	88.8	Confident	92.7	Very high	26 Å²	26	30 Å²	30	12%	0.121	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.5	177.6	-165.4	-120.4	148.5	0	0	112.4	V12 G16 R43 L319 H320 T323	V12-E14 PolarHBondContact O-N 3.3Å; E14-G16 PolarHBondContact O-N 2.78Å; E14-G16 VanDerWaalsContact O-N 3.08Å; E14-G16 WeakPolarHBondContact OE2-CA 2.92Å; E14-R43 VanDerWaalsContact CD-NH2 3.26Å; E14-R43 PolarHBondContact O-NE 3.22Å; E14-R43 PolarHBondContact O-NH2 3.18Å; E14-R43 IonicContact OE1-CZ 3.27Å; E14-R43 IonicContact OE1-NH2 2.97Å; E14-R43 PolarHBondContact OE1-NH2 3.33Å; E14-L319 HydrophobicContact CB-CD2 4.13Å; E14-L319 HydrophobicContact CB-CG 3.99Å; E14-L319 HydrophobicContact CG-CD2 4.49Å; E14-H320 IonicContact OE1-CD2 3.85Å; E14-H320 IonicContact OE1-CE1 3.06Å; E14-H320 IonicContact OE1-NE2 2.65Å; E14-H320 PolarHBondContact OE1-NE2 3.38Å; E14-H320 IonicContact OE2-CD2 2.82Å; E14-H320 PolarHBondContact OE2-CD2 3.36Å; E14-H320 IonicContact OE2-NE2 2.76Å; E14-T323 HydrophobicContact CB-CG2 4.47Å; E14-T323 WeakPolarHBondContact CB-OG1 3.45Å; E14-T323 PolarHBondContact N-OG1 3Å
15	G	82.8	Confident	93.5	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	15%	0.147	C	C	.	.			trans	53.2	32.1	-178.3	0	0	0	0	0	113	V12 M13 R40 R43	V12-G15 WeakPolarHBondContact O-CA 3.29Å; V12-G15 PolarHBondContact O-N 2.96Å; M13-G15 PolarHBondContact O-N 3.37Å; G15-R40 WeakPolarHBondContact O-CA 3.33Å; G15-R40 WeakPolarHBondContact O-CG 3.19Å; G15-R43 WeakPolarHBondContact O-CG 3.34Å
16	G	89.1	Confident	93.9	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-103.9	-173.9	-173.8	0	0	0	0	0	113.6	E14 Q18	E14-G16 PolarHBondContact O-N 2.78Å; E14-G16 VanDerWaalsContact O-N 3.08Å; E14-G16 WeakPolarHBondContact OE2-CA 2.92Å; G16-Q18 PolarHBondContact O-N 2.98Å
17	G	90.4	Very high	94	Very high	9 Å²	9	21 Å²	21	9%	0.093	11%	0.113	C	C	.	.	H	α-helix	trans	-69.6	-12.7	177.1	0	0	0	0	0	113.8	L20 R21	G17-L20 PolarHBondContact O-N 2.74Å; G17-R21 PolarHBondContact O-N 3.01Å; G17-R21 PolarHBondContact O-NH1 3.17Å
18	Q	94	Very high	94.1	Very high	6 Å²	6	16 Å²	16	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-65.5	-38.7	178.9	-177.6	167.3	36.7	0	0	112.3	G16 L20 R21 V22 D297 H320	G16-Q18 PolarHBondContact O-N 2.98Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.84Å; Q18-R21 PolarHBondContact O-N 3.45Å; Q18-R21 VanDerWaalsContact O-N 3.12Å; Q18-V22 HydrophobicContact CG-CG2 3.88Å; Q18-V22 WeakPolarHBondContact O-CG2 3.31Å; Q18-V22 PolarHBondContact O-N 3.08Å; Q18-D297 PolarHBondContact NE2-OD1 3.27Å; Q18-H320 PolarHBondContact OE1-CD2 3.13Å; Q18-H320 PolarHBondContact OE1-O 3.35Å
19	I	95.8	Very high	94.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-54.7	-46.4	176.4	-65.7	172.9	0	0	0	110.1	I8 V12 R21 S23 T323 I327	I8-I19 HydrophobicContact CG2-CG2 3.89Å; V12-I19 HydrophobicContact CG2-CD1 4.27Å; V12-I19 WeakPolarHBondContact O-CD1 3.32Å; I19-R21 PolarHBondContact O-N 3.02Å; I19-S23 WeakPolarHBondContact O-CB 3.13Å; I19-S23 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-OG 3.08Å; I19-T323 HydrophobicContact CD1-CG2 3.9Å; I19-T323 HydrophobicContact CG1-CG2 3.4Å; I19-I327 HydrophobicContact CG1-CG1 4.39Å; I19-I327 HydrophobicContact CG2-CD1 3.97Å; I19-I327 HydrophobicContact CG2-CG1 4.36Å
20	L	96.3	Very high	94.1	Very high	5 Å²	5	17 Å²	17	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-59.9	-47.2	178.6	-61.2	171.6	0	0	0	111.8	G17 Q18 A24 I36 I39 L48 H53 L57	G17-L20 PolarHBondContact O-N 2.74Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.84Å; L20-A24 WeakPolarHBondContact O-CB 3.48Å; L20-A24 PolarHBondContact O-N 3.29Å; L20-I36 HydrophobicContact CD2-CB 4.5Å; L20-I36 HydrophobicContact CD2-CD1 3.74Å; L20-I36 HydrophobicContact CD2-CG2 4.1Å; L20-I39 HydrophobicContact CD1-CG2 4Å; L20-I39 HydrophobicContact CD2-CD1 3.99Å; L20-I39 HydrophobicContact CD2-CG1 4.02Å; L20-I39 HydrophobicContact CD2-CG2 4.08Å; L20-I39 HydrophobicContact CG-CG2 4.42Å; L20-L48 HydrophobicContact CD1-CD2 3.43Å; L20-L48 VanDerWaalsContact CD1-CD2 3.43Å; L20-L48 HydrophobicContact CD2-CD2 4.28Å; L20-H53 HydrophobicContact CD1-CB 3.96Å; L20-L57 HydrophobicContact CB-CD2 4.43Å
21	R	97.2	Very high	94.2	Very high	36 Å²	36	19.1 Å²	19.1	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-50.6	-176.7	-65.2	-167.4	-63.5	-78.4	3.5	111.9	G17 Q18 I19 A25 L102 A106	G17-R21 PolarHBondContact O-N 3.01Å; G17-R21 PolarHBondContact O-NH1 3.17Å; Q18-R21 PolarHBondContact O-N 3.45Å; Q18-R21 VanDerWaalsContact O-N 3.12Å; I19-R21 PolarHBondContact O-N 3.02Å; R21-A25 VanDerWaalsContact O-CB 3.26Å; R21-A25 WeakPolarHBondContact O-CB 3.18Å; R21-A25 PolarHBondContact O-N 2.94Å; R21-L102 WeakPolarHBondContact CD-O 3.26Å; R21-A106 HydrophobicContact CB-CB 4.03Å; R21-A106 HydrophobicContact CG-CB 4Å
22	V	98	Very high	94.4	Very high	17 Å²	17	19 Å²	19	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-43.6	-177.7	179.1	0	0	0	0	110.2	Q18 A25 L26 I327	Q18-V22 HydrophobicContact CG-CG2 3.88Å; Q18-V22 WeakPolarHBondContact O-CG2 3.31Å; Q18-V22 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.06Å; V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.89Å; V22-I327 HydrophobicContact CB-CG2 4.2Å; V22-I327 HydrophobicContact CG1-CB 4.2Å; V22-I327 HydrophobicContact CG1-CG2 3.76Å
23	S	98	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-47.8	179.9	-54.8	0	0	0	0	112	I8 I19 A25 L26 S27 I327	I8-S23 WeakPolarHBondContact CD1-OG 3.45Å; I19-S23 WeakPolarHBondContact O-CB 3.13Å; I19-S23 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-OG 3.08Å; S23-A25 PolarHBondContact O-N 3.4Å; S23-L26 PolarHBondContact O-N 2.95Å; S23-S27 VanDerWaalsContact O-CB 3.28Å; S23-S27 WeakPolarHBondContact O-CB 3.33Å; S23-S27 PolarHBondContact O-N 3.47Å; S23-I327 WeakPolarHBondContact OG-CG2 3.47Å
24	A	98.2	Very high	95.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63.8	-42.1	179.4	0	0	0	0	0	111.6	L20 S27 C28 L57 V60 L80	L20-A24 WeakPolarHBondContact O-CB 3.48Å; L20-A24 PolarHBondContact O-N 3.29Å; A24-S27 PolarHBondContact O-N 3.08Å; A24-C28 WeakPolarHBondContact O-CB 3.32Å; A24-C28 PolarHBondContact O-N 3.41Å; A24-L57 HydrophobicContact CB-CD2 3.67Å; A24-V60 HydrophobicContact CB-CB 4.31Å; A24-V60 HydrophobicContact CB-CG1 3.98Å; A24-V60 HydrophobicContact CB-CG2 4.37Å; A24-V60 WeakPolarHBondContact O-CG1 3.49Å; A24-L80 HydrophobicContact CB-CD2 4Å
25	A	98.4	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-45.3	177.3	0	0	0	0	0	112.3	R21 V22 S23 C28 I29 P109 I301	R21-A25 VanDerWaalsContact O-CB 3.26Å; R21-A25 WeakPolarHBondContact O-CB 3.18Å; R21-A25 PolarHBondContact O-N 2.94Å; V22-A25 PolarHBondContact O-N 3.06Å; S23-A25 PolarHBondContact O-N 3.4Å; A25-C28 WeakPolarHBondContact O-CB 3.37Å; A25-C28 PolarHBondContact O-N 3.05Å; A25-I29 WeakPolarHBondContact O-CD1 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.25Å; A25-I29 WeakPolarHBondContact O-CG1 3.41Å; A25-I29 PolarHBondContact O-N 2.83Å; A25-P109 HydrophobicContact CB-CB 4.38Å; A25-I301 HydrophobicContact CB-CD1 3.76Å
26	L	98.4	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.6	-36.4	177.4	-71.2	176.1	0	0	0	112.7	V22 S23 I29 T30 I301 L305 I327 A328 L331 T332	V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.89Å; S23-L26 PolarHBondContact O-N 2.95Å; L26-I29 PolarHBondContact O-N 3.09Å; L26-T30 WeakPolarHBondContact O-CB 3.43Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 2.91Å; L26-T30 PolarHBondContact O-OG1 3.03Å; L26-I301 HydrophobicContact CD2-CD1 3.96Å; L26-I301 HydrophobicContact CD2-CG1 3.84Å; L26-I301 HydrophobicContact CG-CD1 3.99Å; L26-I301 HydrophobicContact CG-CG1 4.29Å; L26-L305 HydrophobicContact CD2-CD1 4.33Å; L26-L305 HydrophobicContact CD2-CD2 3.94Å; L26-L305 HydrophobicContact CD2-CG 4.18Å; L26-I327 HydrophobicContact CD1-CG2 4.41Å; L26-A328 HydrophobicContact CD1-CB 4.29Å; L26-L331 HydrophobicContact CB-CB 3.99Å; L26-L331 HydrophobicContact CB-CD1 3.88Å; L26-L331 HydrophobicContact CD1-CB 4.01Å; L26-L331 HydrophobicContact CD1-CD1 4.25Å; L26-T332 HydrophobicContact CD1-CG2 4.16Å; L26-T332 HydrophobicContact CD2-CG2 3.7Å; L26-T332 HydrophobicContact CG-CG2 4.44Å
27	S	98.1	Very high	96.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-49.2	172.2	173.4	0	0	0	0	111	S23 A24 I29 G31 S32 P82	S23-S27 VanDerWaalsContact O-CB 3.28Å; S23-S27 WeakPolarHBondContact O-CB 3.33Å; S23-S27 PolarHBondContact O-N 3.47Å; A24-S27 PolarHBondContact O-N 3.08Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 2.72Å; S27-G31 WeakPolarHBondContact O-CA 3.43Å; S27-G31 PolarHBondContact O-N 3.2Å; S27-S32 WeakPolarHBondContact CB-O 3.45Å; S27-S32 PolarHBondContact OG-O 3.24Å; S27-P82 WeakPolarHBondContact O-CG 3.27Å
28	C	97.9	Very high	97	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-54.3	-46.3	175.4	171.4	0	0	0	0	112.5	A24 A25 V60 C64 C110	A24-C28 WeakPolarHBondContact O-CB 3.32Å; A24-C28 PolarHBondContact O-N 3.41Å; A25-C28 WeakPolarHBondContact O-CB 3.37Å; A25-C28 PolarHBondContact O-N 3.05Å; C28-V60 HydrophobicContact CB-CG1 3.77Å; C28-C64 HydrophobicContact CB-CB 4.33Å; C28-C110 HydrophobicContact CB-CB 4.5Å; C28-C110 VanDerWaalsContact SG-CB 3.52Å; C28-C110 PolarHBondContact SG-SG 3.38Å
29	I	97.2	Very high	97.1	Very high	17 Å²	17	21 Å²	21	9%	0.087	12%	0.121	C	C	.	.	H	α-helix	trans	-77.2	-40.3	-174.9	-65.6	162.9	0	0	0	112.3	A25 L26 S27 P109 Y113 L305 V360	A25-I29 WeakPolarHBondContact O-CD1 3.4Å; A25-I29 VanDerWaalsContact O-CG1 3.25Å; A25-I29 WeakPolarHBondContact O-CG1 3.41Å; A25-I29 PolarHBondContact O-N 2.83Å; L26-I29 PolarHBondContact O-N 3.09Å; S27-I29 VanDerWaalsContact C-N 3.33Å; S27-I29 PolarHBondContact O-N 2.72Å; I29-P109 HydrophobicContact CD1-CB 3.78Å; I29-P109 WeakPolarHBondContact CD1-O 3.48Å; I29-Y113 HydrophobicContact CD1-CD2 4.11Å; I29-Y113 HydrophobicContact CD1-CE2 4.36Å; I29-Y113 HydrophobicContact CG1-CD2 4.03Å; I29-Y113 HydrophobicContact CG1-CG 4.32Å; I29-Y113 HydrophobicContact CG2-CD1 4.01Å; I29-Y113 HydrophobicContact CG2-CD2 3.97Å; I29-Y113 HydrophobicContact CG2-CE1 4.11Å; I29-Y113 HydrophobicContact CG2-CE2 4.04Å; I29-Y113 HydrophobicContact CG2-CG 3.96Å; I29-L305 HydrophobicContact CD1-CD1 3.63Å; I29-L305 HydrophobicContact CG2-CD1 4.47Å; I29-L305 HydrophobicContact CG2-CD2 3.91Å; I29-V360 HydrophobicContact CG2-CG1 4Å
30	T	95.3	Very high	96.9	Very high	48 Å²	48	21.9 Å²	21.9	29%	0.294	12%	0.124	S	C	.	.	H	α-helix	trans	-86.2	-13.8	-176.3	62.1	0	0	0	0	113.3	L26 S32 T332	L26-T30 WeakPolarHBondContact O-CB 3.43Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 2.91Å; L26-T30 PolarHBondContact O-OG1 3.03Å; T30-S32 PolarHBondContact O-N 2.9Å; T30-S32 PolarHBondContact OG1-N 2.87Å; T30-S32 PolarHBondContact OG1-OG 2.91Å; T30-T332 HydrophobicContact CG2-CG2 4.39Å
31	G	95.3	Very high	96.6	Very high	49 Å²	49	24.2 Å²	24.2	51%	0.505	14%	0.144	S	C	.	.			trans	74.6	5.8	-175.1	0	0	0	0	0	114	S27 P82	S27-G31 WeakPolarHBondContact O-CA 3.43Å; S27-G31 PolarHBondContact O-N 3.2Å; G31-P82 VanDerWaalsContact C-CG 3.43Å; G31-P82 WeakPolarHBondContact O-CG 2.91Å
32	S	95.5	Very high	96.1	Very high	38 Å²	38	26 Å²	26	27%	0.266	17%	0.173	S	C	.	.			trans	-80.4	124.9	179	-61.6	0	0	0	0	110.9	S27 T30	S27-S32 WeakPolarHBondContact CB-O 3.45Å; S27-S32 PolarHBondContact OG-O 3.24Å; T30-S32 PolarHBondContact O-N 2.9Å; T30-S32 PolarHBondContact OG1-N 2.87Å; T30-S32 PolarHBondContact OG1-OG 2.91Å
33	A	97.8	Very high	95.6	Very high	20 Å²	20	29.7 Å²	29.7	17%	0.165	19%	0.185	C	C	.	.			trans	-64.7	142.2	170.9	0	0	0	0	0	110.7	A5 V6 L80 T81	A5-A33 CarbonylContact C-O 3.59Å; A5-A33 VanDerWaalsContact CA-O 3.3Å; A5-A33 WeakPolarHBondContact CA-O 3.28Å; A5-A33 HydrophobicContact CB-CB 3.99Å; V6-A33 PolarHBondContact N-O 3.31Å; A33-L80 WeakPolarHBondContact CA-O 3.42Å; A33-T81 HydrophobicContact CB-CG2 4.39Å
34	I	98.2	Very high	95.1	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.5	179.6	62.6	168.6	0	0	0	111.8	V6 I8 I36 S79 L80 L331	V6-I34 HydrophobicContact CB-CG2 4.4Å; V6-I34 CarbonylContact O-C 3.56Å; V6-I34 WeakPolarHBondContact O-CA 3.46Å; I8-I34 HydrophobicContact CD1-CB 4.22Å; I8-I34 HydrophobicContact CD1-CD1 4.45Å; I8-I34 HydrophobicContact CD1-CG2 4.14Å; I34-I36 HydrophobicContact CD1-CD1 4.04Å; I34-I36 HydrophobicContact CD1-CG1 4.13Å; I34-S79 CarbonylContact O-C 3.52Å; I34-S79 VanDerWaalsContact O-CA 3.32Å; I34-S79 WeakPolarHBondContact O-CA 3.42Å; I34-L80 HydrophobicContact CD1-CB 4.38Å; I34-L80 HydrophobicContact CD1-CD2 4.49Å; I34-L80 HydrophobicContact CG1-CB 3.86Å; I34-L80 PolarHBondContact N-O 2.88Å; I34-L80 PolarHBondContact O-N 3.02Å; I34-L331 HydrophobicContact CG2-CD1 4.47Å; I34-L331 HydrophobicContact CG2-CD2 3.65Å
35	K	98.1	Very high	94.5	Very high	78 Å²	78	38.1 Å²	38.1	34%	0.339	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.8	167.9	-179.6	-176	170.8	-146.2	0	108.6	V6 E7 I8 I37 I78	V6-K35 PolarHBondContact O-N 2.65Å; E7-K35 CarbonylContact C-O 3.52Å; E7-K35 WeakPolarHBondContact CA-O 3.49Å; E7-K35 IonicContact OE2-NZ 3.45Å; E7-K35 PolarHBondContact OE2-NZ 2.88Å; I8-K35 PolarHBondContact N-O 2.76Å; K35-I37 HydrophobicContact CD-CG2 4.23Å; K35-I37 HydrophobicContact CG-CG2 4.04Å; K35-I78 CarbonylContact C-O 3.54Å; K35-I78 WeakPolarHBondContact CA-O 2.96Å
36	I	97.4	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.5	177.9	-48.8	178.7	0	0	0	107.8	I8 L20 I34 I39 D77 I78	I8-I36 HydrophobicContact CB-CG1 4.28Å; I8-I36 HydrophobicContact CD1-CG1 4.35Å; I8-I36 HydrophobicContact CG2-CG2 4.48Å; I8-I36 CarbonylContact O-C 3.53Å; I8-I36 WeakPolarHBondContact O-CA 3.2Å; L20-I36 HydrophobicContact CD2-CB 4.5Å; L20-I36 HydrophobicContact CD2-CD1 3.74Å; L20-I36 HydrophobicContact CD2-CG2 4.1Å; I34-I36 HydrophobicContact CD1-CD1 4.04Å; I34-I36 HydrophobicContact CD1-CG1 4.13Å; I36-I39 HydrophobicContact CB-CG1 4.42Å; I36-I39 HydrophobicContact CG2-CG1 3.88Å; I36-D77 CarbonylContact O-C 3.6Å; I36-D77 VanDerWaalsContact O-CA 3.23Å; I36-D77 WeakPolarHBondContact O-CA 3.2Å; I36-I78 HydrophobicContact CB-CD1 4.05Å; I36-I78 HydrophobicContact CB-CG1 4.09Å; I36-I78 HydrophobicContact CD1-CD1 3.9Å; I36-I78 HydrophobicContact CD1-CG1 4.46Å; I36-I78 HydrophobicContact CG1-CD1 3.83Å; I36-I78 HydrophobicContact CG1-CG1 4.39Å; I36-I78 PolarHBondContact N-O 3.2Å; I36-I78 PolarHBondContact O-N 3.09Å
37	I	97.2	Very high	93.9	Very high	24 Å²	24	41.4 Å²	41.4	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	165.1	-179.9	64.1	167.4	0	0	0	111.3	E7 I8 D9 G10 K35 I39 T76 D77	E7-I37 HydrophobicContact CG-CD1 4.14Å; E7-I37 HydrophobicContact CG-CG1 4.24Å; E7-I37 HydrophobicContact CG-CG2 4.19Å; E7-I37 WeakPolarHBondContact OE1-CD1 3.42Å; I8-I37 PolarHBondContact O-N 3.03Å; D9-I37 HydrophobicContact CB-CG1 4.49Å; G10-I37 WeakPolarHBondContact CA-O 3.45Å; G10-I37 PolarHBondContact N-O 3.36Å; K35-I37 HydrophobicContact CD-CG2 4.23Å; K35-I37 HydrophobicContact CG-CG2 4.04Å; I37-I39 PolarHBondContact O-N 2.79Å; I37-I39 VanDerWaalsContact O-N 3.09Å; I37-T76 CarbonylContact C-O 3.42Å; I37-D77 WeakPolarHBondContact CA-OD1 3.31Å; I37-D77 WeakPolarHBondContact CB-OD1 3.5Å; I37-D77 VanDerWaalsContact CG2-OD1 3.26Å; I37-D77 WeakPolarHBondContact CG2-OD1 3.45Å
38	K	95.6	Very high	93.6	Very high	100 Å²	100	41.4 Å²	41.4	44%	0.435	26%	0.263	S	S	.	.	S	Bend	trans	50.3	37.6	176.1	-54.7	-175.5	-162	153.3	0	114	D9 G10 S11 R40 A41 T76	D9-K38 IonicContact OD2-NZ 2.63Å; D9-K38 PolarHBondContact OD2-NZ 2.79Å; G10-K38 CarbonylContact C-O 3.41Å; S11-K38 PolarHBondContact N-O 3.13Å; K38-R40 PolarHBondContact O-N 2.97Å; K38-A41 HydrophobicContact CB-CB 4.08Å; K38-A41 WeakPolarHBondContact O-CB 3.43Å; K38-A41 PolarHBondContact O-N 3.02Å; K38-T76 PolarHBondContact N-O 2.87Å
39	I	94.9	Very high	92.9	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	116.6	-175.5	-65.3	168.4	0	0	0	109.3	L20 I36 I37 A41 G47 L48 T76 I78	L20-I39 HydrophobicContact CD1-CG2 4Å; L20-I39 HydrophobicContact CD2-CD1 3.99Å; L20-I39 HydrophobicContact CD2-CG1 4.02Å; L20-I39 HydrophobicContact CD2-CG2 4.08Å; L20-I39 HydrophobicContact CG-CG2 4.42Å; I36-I39 HydrophobicContact CB-CG1 4.42Å; I36-I39 HydrophobicContact CG2-CG1 3.88Å; I37-I39 PolarHBondContact O-N 2.79Å; I37-I39 VanDerWaalsContact O-N 3.09Å; I39-A41 PolarHBondContact O-N 3.32Å; I39-A41 VanDerWaalsContact O-N 3.15Å; I39-G47 VanDerWaalsContact O-CA 3.23Å; I39-G47 WeakPolarHBondContact O-CA 3.33Å; I39-G47 PolarHBondContact O-N 3.41Å; I39-L48 HydrophobicContact CD1-CD2 4.21Å; I39-L48 HydrophobicContact CD1-CG 4.24Å; I39-L48 HydrophobicContact CG2-CD2 4.07Å; I39-T76 WeakPolarHBondContact CB-O 3.02Å; I39-T76 VanDerWaalsContact CG1-O 3.23Å; I39-T76 WeakPolarHBondContact CG1-O 3.42Å; I39-T76 PolarHBondContact N-O 2.81Å; I39-I78 HydrophobicContact CD1-CB 4.43Å; I39-I78 HydrophobicContact CD1-CG1 3.96Å; I39-I78 HydrophobicContact CD1-CG2 3.96Å
40	R	91.5	Very high	92.4	Very high	21 Å²	21	48.8 Å²	48.8	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.3	175.8	-59.3	179	57.5	-124.8	1.1	114.1	G10 G15 K38 G42 R43 T45 P46 G47 S49	G10-R40 PolarHBondContact O-N 2.78Å; G15-R40 WeakPolarHBondContact O-CA 3.33Å; G15-R40 WeakPolarHBondContact O-CG 3.19Å; K38-R40 PolarHBondContact O-N 2.97Å; R40-G42 PolarHBondContact O-N 2.82Å; R40-G42 VanDerWaalsContact O-N 3.15Å; R40-R43 HydrophobicContact CB-CB 4.26Å; R40-R43 HydrophobicContact CB-CG 4.05Å; R40-R43 WeakPolarHBondContact O-CB 3.41Å; R40-R43 PolarHBondContact O-N 2.82Å; R40-T45 PolarHBondContact NH1-O 3.06Å; R40-T45 PolarHBondContact NH2-O 3.5Å; R40-T45 PolarHBondContact NH2-OG1 2.93Å; R40-P46 WeakPolarHBondContact O-CA 3.34Å; R40-G47 PolarHBondContact NH1-O 3.37Å; R40-S49 PolarHBondContact NH1-OG 2.86Å
41	A	90.3	Very high	92.1	Very high	53 Å²	53	48.8 Å²	48.8	44%	0.438	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.8	-176.4	0	0	0	0	0	113.9	K38 I39 R43	K38-A41 HydrophobicContact CB-CB 4.08Å; K38-A41 WeakPolarHBondContact O-CB 3.43Å; K38-A41 PolarHBondContact O-N 3.02Å; I39-A41 PolarHBondContact O-N 3.32Å; I39-A41 VanDerWaalsContact O-N 3.15Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.71Å
42	G	86.1	Confident	92	Very high	73 Å²	73	47.7 Å²	47.7	75%	0.753	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	2.7	177.2	0	0	0	0	0	115.6	R40	R40-G42 PolarHBondContact O-N 2.82Å; R40-G42 VanDerWaalsContact O-N 3.15Å
43	R	87.9	Confident	91.9	Very high	95 Å²	95	46.8 Å²	46.8	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	-95.8	157.2	-178.8	-63.4	-63.8	-175.6	135.4	3.3	111.4	E14 G15 R40 A41 T45 P46	E14-R43 VanDerWaalsContact CD-NH2 3.26Å; E14-R43 PolarHBondContact O-NE 3.22Å; E14-R43 PolarHBondContact O-NH2 3.18Å; E14-R43 IonicContact OE1-CZ 3.27Å; E14-R43 IonicContact OE1-NH2 2.97Å; E14-R43 PolarHBondContact OE1-NH2 3.33Å; G15-R43 WeakPolarHBondContact O-CG 3.34Å; R40-R43 HydrophobicContact CB-CB 4.26Å; R40-R43 HydrophobicContact CB-CG 4.05Å; R40-R43 WeakPolarHBondContact O-CB 3.41Å; R40-R43 PolarHBondContact O-N 2.82Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.71Å; R43-T45 PolarHBondContact O-N 3Å; R43-P46 WeakPolarHBondContact O-CD 3.08Å
44	S	87.1	Confident	91.8	Very high	124 Å²	124	46.9 Å²	46.9	87%	0.867	27%	0.266	S	S	*	.	S	Bend	trans	-55.3	-27.7	175.9	55.8	0	0	0	0	113.8
45	T	87.4	Confident	91.8	Very high	55 Å²	55	47.5 Å²	47.5	34%	0.337	27%	0.27	S	S	.	.	S	Bend	trans	-126.1	98	170.7	62.4	0	0	0	0	109.1	R40 R43 S49	R40-T45 PolarHBondContact NH1-O 3.06Å; R40-T45 PolarHBondContact NH2-O 3.5Å; R40-T45 PolarHBondContact NH2-OG1 2.93Å; R43-T45 PolarHBondContact O-N 3Å; T45-S49 PolarHBondContact OG1-OG 2.9Å
46	P	90.8	Very high	91.7	Very high	68 Å²	68	44.1 Å²	44.1	44%	0.442	26%	0.257	S	S	.	.			trans	-63.3	167.8	176.2	-25.4	36.5	0	0	0	114	R40 R43	R40-P46 WeakPolarHBondContact O-CA 3.34Å; R43-P46 WeakPolarHBondContact O-CD 3.08Å
47	G	93.2	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	71.5	-170.1	177.3	0	0	0	0	0	114.8	I39 R40 S49 S75	I39-G47 VanDerWaalsContact O-CA 3.23Å; I39-G47 WeakPolarHBondContact O-CA 3.33Å; I39-G47 PolarHBondContact O-N 3.41Å; R40-G47 PolarHBondContact NH1-O 3.37Å; G47-S49 PolarHBondContact O-N 2.82Å; G47-S75 CarbonylContact C-O 3.59Å; G47-S75 WeakPolarHBondContact CA-O 3.29Å
48	L	91.8	Very high	91.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-68.2	61.1	169.4	-64.1	-175.2	0	0	0	111.1	L20 I39 R50 H53 L57 A71 S72 I73 G74 S75 I78	L20-L48 HydrophobicContact CD1-CD2 3.43Å; L20-L48 VanDerWaalsContact CD1-CD2 3.43Å; L20-L48 HydrophobicContact CD2-CD2 4.28Å; I39-L48 HydrophobicContact CD1-CD2 4.21Å; I39-L48 HydrophobicContact CD1-CG 4.24Å; I39-L48 HydrophobicContact CG2-CD2 4.07Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.96Å; L48-H53 HydrophobicContact CD2-CB 3.86Å; L48-L57 HydrophobicContact CD1-CD1 4.02Å; L48-L57 HydrophobicContact CD2-CD1 3.91Å; L48-A71 HydrophobicContact CD1-CB 4.41Å; L48-S72 WeakPolarHBondContact CB-O 3.36Å; L48-I73 WeakPolarHBondContact O-CA 3.38Å; L48-G74 PolarHBondContact O-N 3.28Å; L48-S75 PolarHBondContact N-O 3.03Å; L48-I78 HydrophobicContact CD1-CG2 3.83Å
49	S	83.5	Confident	92	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	25%	0.254	C	S	.	.			trans	-80.1	-5.8	-173.1	83.8	0	0	0	0	114.7	R40 T45 G47	R40-S49 PolarHBondContact NH1-OG 2.86Å; T45-S49 PolarHBondContact OG1-OG 2.9Å; G47-S49 PolarHBondContact O-N 2.82Å
50	R	85.8	Confident	92.1	Very high	142 Å²	142	43.1 Å²	43.1	54%	0.536	25%	0.254	S	S	.	.	S	Bend	trans	-117.3	129.2	179.4	-56.3	-61	-171.2	176.5	0.6	109.1	L48 Q52 H53	L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.96Å; R50-Q52 PolarHBondContact O-N 3.29Å; R50-Q52 VanDerWaalsContact O-N 3.13Å; R50-H53 WeakPolarHBondContact O-CB 3.41Å; R50-H53 PolarHBondContact O-N 2.9Å
51	P	89.3	Confident	92.4	Very high	48 Å²	48	42.8 Å²	42.8	31%	0.312	25%	0.254	S	S	.	.	H	α-helix	trans	-50.2	-39.1	175.8	-30.5	36.6	0	0	0	113.2	H53 L54 T55 I73 T96	P51-H53 VanDerWaalsContact C-N 3.28Å; P51-H53 PolarHBondContact O-N 3.31Å; P51-L54 PolarHBondContact O-N 2.85Å; P51-L54 VanDerWaalsContact O-N 3.1Å; P51-T55 PolarHBondContact O-N 3.13Å; P51-T55 PolarHBondContact O-OG1 3.19Å; P51-I73 HydrophobicContact CG-CD1 4.46Å; P51-T96 HydrophobicContact CG-CG2 4.19Å
52	Q	92.8	Very high	92.8	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	26%	0.255	C	S	.	.	H	α-helix	trans	-53.2	-38	175.6	-177.1	-173.2	38.9	0	0	114.7	R50 G56 T94 S99 L102 L103	R50-Q52 PolarHBondContact O-N 3.29Å; R50-Q52 VanDerWaalsContact O-N 3.13Å; Q52-G56 PolarHBondContact O-N 3.42Å; Q52-T94 HydrophobicContact CB-CG2 4.32Å; Q52-S99 VanDerWaalsContact NE2-C 3.29Å; Q52-S99 PolarHBondContact NE2-O 3.47Å; Q52-L102 VanDerWaalsContact NE2-CB 3.29Å; Q52-L103 HydrophobicContact CG-CD2 4.27Å
53	H	93.2	Very high	93.3	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-46.8	178.1	-58.2	148.6	0	0	0	110.6	L20 L48 R50 P51 G56 L57	L20-H53 HydrophobicContact CD1-CB 3.96Å; L48-H53 HydrophobicContact CD2-CB 3.86Å; R50-H53 WeakPolarHBondContact O-CB 3.41Å; R50-H53 PolarHBondContact O-N 2.9Å; P51-H53 VanDerWaalsContact C-N 3.28Å; P51-H53 PolarHBondContact O-N 3.31Å; H53-G56 PolarHBondContact O-N 2.98Å; H53-L57 WeakPolarHBondContact O-CG 3.2Å; H53-L57 PolarHBondContact O-N 3.17Å
54	L	96.1	Very high	93.8	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.115	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-50.4	178.4	176	58.9	0	0	0	111	P51 G56 L57 Q58 A71 I73	P51-L54 PolarHBondContact O-N 2.85Å; P51-L54 VanDerWaalsContact O-N 3.1Å; L54-G56 VanDerWaalsContact C-N 3.27Å; L54-G56 PolarHBondContact O-N 3.25Å; L54-L57 PolarHBondContact O-N 2.89Å; L54-Q58 HydrophobicContact CD1-CG 4.15Å; L54-Q58 HydrophobicContact CG-CG 4.49Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 3.49Å; L54-A71 HydrophobicContact CD1-CB 3.71Å; L54-A71 VanDerWaalsContact CD1-O 3.28Å; L54-A71 WeakPolarHBondContact CD1-O 3.48Å; L54-I73 HydrophobicContact CB-CD1 4.04Å; L54-I73 HydrophobicContact CD2-CD1 3.76Å; L54-I73 HydrophobicContact CD2-CG1 3.95Å
55	T	97.5	Very high	94.2	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-39.6	177.8	-53	0	0	0	0	111.6	P51 Q58 L59 A92 T94 L103	P51-T55 PolarHBondContact O-N 3.13Å; P51-T55 PolarHBondContact O-OG1 3.19Å; T55-Q58 PolarHBondContact O-N 3.36Å; T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 PolarHBondContact O-N 2.92Å; T55-A92 HydrophobicContact CG2-CB 3.79Å; T55-T94 HydrophobicContact CG2-CG2 4.4Å; T55-L103 HydrophobicContact CG2-CD1 4.34Å; T55-L103 HydrophobicContact CG2-CD2 4.09Å
56	G	97.5	Very high	94.6	Very high	6 Å²	6	32.3 Å²	32.3	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-43.6	176.3	0	0	0	0	0	113	Q52 H53 L54 L59 V60	Q52-G56 PolarHBondContact O-N 3.42Å; H53-G56 PolarHBondContact O-N 2.98Å; L54-G56 VanDerWaalsContact C-N 3.27Å; L54-G56 PolarHBondContact O-N 3.25Å; G56-L59 PolarHBondContact O-N 2.95Å; G56-V60 WeakPolarHBondContact O-CG2 3.47Å; G56-V60 PolarHBondContact O-N 2.79Å
57	L	98	Very high	95	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-41.5	176.2	-69	171.7	0	0	0	111.9	L20 A24 L48 H53 L54 V60 S61 L68 I78	L20-L57 HydrophobicContact CB-CD2 4.43Å; A24-L57 HydrophobicContact CB-CD2 3.67Å; L48-L57 HydrophobicContact CD1-CD1 4.02Å; L48-L57 HydrophobicContact CD2-CD1 3.91Å; H53-L57 WeakPolarHBondContact O-CG 3.2Å; H53-L57 PolarHBondContact O-N 3.17Å; L54-L57 PolarHBondContact O-N 2.89Å; L57-V60 PolarHBondContact O-N 3.47Å; L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.15Å; L57-L68 HydrophobicContact CB-CD1 4.43Å; L57-L68 HydrophobicContact CB-CD2 3.83Å; L57-I78 HydrophobicContact CD1-CG1 4.36Å
58	Q	98.1	Very high	95.2	Very high	96 Å²	96	33.6 Å²	33.6	45%	0.449	19%	0.188	S	C	.	.	H	α-helix	trans	-62	-43.4	175.5	-72.9	170.9	-27.1	0	0	111.5	L54 T55 V60 S61 D62 L68	L54-Q58 HydrophobicContact CD1-CG 4.15Å; L54-Q58 HydrophobicContact CG-CG 4.49Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 3.49Å; T55-Q58 PolarHBondContact O-N 3.36Å; Q58-V60 PolarHBondContact O-N 3.45Å; Q58-S61 WeakPolarHBondContact O-CB 3.49Å; Q58-S61 PolarHBondContact O-N 2.94Å; Q58-D62 WeakPolarHBondContact O-CB 3.34Å; Q58-D62 PolarHBondContact O-N 3.41Å; Q58-L68 HydrophobicContact CG-CD2 4.14Å
59	L	98.4	Very high	95.5	Very high	6 Å²	6	39 Å²	39	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-43.2	176.2	177.5	60	0	0	0	111.9	T55 G56 D62 L63 H90 A92 A107 L122	T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 PolarHBondContact O-N 2.92Å; G56-L59 PolarHBondContact O-N 2.95Å; L59-D62 PolarHBondContact O-N 2.7Å; L59-L63 HydrophobicContact CD1-CD1 4.26Å; L59-L63 HydrophobicContact CD1-CG 4.49Å; L59-L63 HydrophobicContact CG-CD1 4.11Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.68Å; L59-H90 HydrophobicContact CD1-CB 3.66Å; L59-A92 HydrophobicContact CB-CB 4.14Å; L59-A92 HydrophobicContact CD1-CB 4.19Å; L59-A92 HydrophobicContact CD2-CB 3.66Å; L59-A92 HydrophobicContact CG-CB 4.21Å; L59-A107 HydrophobicContact CD2-CB 3.41Å; L59-A107 VanDerWaalsContact CD2-CB 3.41Å; L59-A107 HydrophobicContact CG-CB 3.94Å; L59-L122 HydrophobicContact CD2-CD2 3.84Å
60	V	98.4	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-42.8	176	173.1	0	0	0	0	111.2	A24 C28 G56 L57 Q58 D62 L63 C64 L80 A106	A24-V60 HydrophobicContact CB-CB 4.31Å; A24-V60 HydrophobicContact CB-CG1 3.98Å; A24-V60 HydrophobicContact CB-CG2 4.37Å; A24-V60 WeakPolarHBondContact O-CG1 3.49Å; C28-V60 HydrophobicContact CB-CG1 3.77Å; G56-V60 WeakPolarHBondContact O-CG2 3.47Å; G56-V60 PolarHBondContact O-N 2.79Å; L57-V60 PolarHBondContact O-N 3.47Å; Q58-V60 PolarHBondContact O-N 3.45Å; V60-D62 VanDerWaalsContact C-N 3.29Å; V60-D62 PolarHBondContact O-N 3.09Å; V60-L63 PolarHBondContact O-N 3.49Å; V60-C64 PolarHBondContact O-N 3.43Å; V60-C64 PolarHBondContact O-SG 3.12Å; V60-L80 HydrophobicContact CG1-CD2 4.23Å; V60-A106 HydrophobicContact CG2-CB 4.05Å
61	S	98	Very high	96.5	Very high	13 Å²	13	34.1 Å²	34.1	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-40	175.9	-166.1	0	0	0	0	112	L57 Q58 S65 G66	L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.15Å; Q58-S61 WeakPolarHBondContact O-CB 3.49Å; Q58-S61 PolarHBondContact O-N 2.94Å; S61-S65 CarbonylContact O-C 2.92Å; S61-S65 PolarHBondContact O-N 2.79Å; S61-S65 VanDerWaalsContact O-N 3.08Å; S61-G66 PolarHBondContact O-N 2.99Å; S61-G66 PolarHBondContact OG-O 3.28Å
62	D	97.8	Very high	96.8	Very high	85 Å²	85	34.9 Å²	34.9	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-46.2	177.4	-174.1	44.2	0	0	0	111.5	Q58 L59 V60 C64 S65 H90	Q58-D62 WeakPolarHBondContact O-CB 3.34Å; Q58-D62 PolarHBondContact O-N 3.41Å; L59-D62 PolarHBondContact O-N 2.7Å; V60-D62 VanDerWaalsContact C-N 3.29Å; V60-D62 PolarHBondContact O-N 3.09Å; D62-C64 PolarHBondContact O-N 3.37Å; D62-S65 PolarHBondContact O-N 3.22Å; D62-H90 IonicContact OD2-CE1 2.76Å; D62-H90 IonicContact OD2-CG 3.02Å; D62-H90 IonicContact OD2-ND1 2.83Å; D62-H90 PolarHBondContact OD2-ND1 3.47Å
63	L	97.9	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-33.9	177.2	-79.8	161.9	0	0	0	113.7	L59 V60 V85 R86 H90 A107 C110 L120	L59-L63 HydrophobicContact CD1-CD1 4.26Å; L59-L63 HydrophobicContact CD1-CG 4.49Å; L59-L63 HydrophobicContact CG-CD1 4.11Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.68Å; V60-L63 PolarHBondContact O-N 3.49Å; L63-V85 WeakPolarHBondContact O-CA 3.38Å; L63-R86 PolarHBondContact O-N 3.26Å; L63-H90 VanDerWaalsContact CD2-CD2 3.43Å; L63-H90 WeakPolarHBondContact CD2-CD2 3.12Å; L63-A107 HydrophobicContact CD1-CB 3.76Å; L63-C110 HydrophobicContact CB-CB 4.41Å; L63-C110 HydrophobicContact CD1-CB 4.05Å; L63-L120 HydrophobicContact CD2-CD2 4.04Å
64	C	97.1	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.3	177.2	68.9	0	0	0	0	114.7	C28 V60 D62 G66 G83 K84 V85	C28-C64 HydrophobicContact CB-CB 4.33Å; V60-C64 PolarHBondContact O-N 3.43Å; V60-C64 PolarHBondContact O-SG 3.12Å; D62-C64 PolarHBondContact O-N 3.37Å; C64-G66 PolarHBondContact O-N 3.14Å; C64-G83 CarbonylContact O-C 3.59Å; C64-G83 WeakPolarHBondContact O-CA 3.39Å; C64-G83 PolarHBondContact O-N 2.93Å; C64-G83 VanDerWaalsContact O-N 3.08Å; C64-K84 CarbonylContact C-O 3.5Å; C64-K84 VanDerWaalsContact C-O 3.23Å; C64-K84 CarbonylContact O-C 3.55Å; C64-K84 PolarHBondContact O-N 2.93Å; C64-K84 VanDerWaalsContact O-O 3.04Å; C64-V85 HydrophobicContact CB-CG2 4.39Å
65	S	96	Very high	96.9	Very high	74 Å²	74	39.1 Å²	39.1	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	35.6	-171.6	-54.6	0	0	0	0	112.3	S61 D62	S61-S65 CarbonylContact O-C 2.92Å; S61-S65 PolarHBondContact O-N 2.79Å; S61-S65 VanDerWaalsContact O-N 3.08Å; D62-S65 PolarHBondContact O-N 3.22Å
66	G	96.3	Very high	96.9	Very high	21 Å²	21	41.7 Å²	41.7	22%	0.216	27%	0.266	C	S	.	.			trans	-88.4	171.1	-174	0	0	0	0	0	113.2	S61 C64 T81	S61-G66 PolarHBondContact O-N 2.99Å; S61-G66 PolarHBondContact OG-O 3.28Å; C64-G66 PolarHBondContact O-N 3.14Å; G66-T81 CarbonylContact C-O 3.59Å; G66-T81 VanDerWaalsContact CA-O 3.22Å; G66-T81 WeakPolarHBondContact CA-O 3.38Å
67	S	97.8	Very high	96.8	Very high	58 Å²	58	44.6 Å²	44.6	41%	0.406	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.4	174	-174.5	0	0	0	0	110.2	L80 T81	S67-L80 WeakPolarHBondContact O-CA 3.05Å; S67-T81 PolarHBondContact N-O 2.92Å; S67-T81 PolarHBondContact O-N 2.91Å
68	L	97.9	Very high	96.8	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.199	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.7	175	-178.9	66.9	0	0	0	110	L57 Q58 A71 I78 S79 L80	L57-L68 HydrophobicContact CB-CD1 4.43Å; L57-L68 HydrophobicContact CB-CD2 3.83Å; Q58-L68 HydrophobicContact CG-CD2 4.14Å; L68-A71 HydrophobicContact CD1-CB 4Å; L68-A71 HydrophobicContact CD2-CB 3.43Å; L68-A71 VanDerWaalsContact CD2-CB 3.43Å; L68-A71 HydrophobicContact CG-CB 3.51Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; L68-S79 WeakPolarHBondContact CA-O 3.22Å; L68-L80 HydrophobicContact CB-CD1 4.37Å; L68-L80 HydrophobicContact CD1-CB 4.23Å; L68-L80 HydrophobicContact CD1-CD1 4.35Å
69	Q	97.9	Very high	96.8	Very high	113 Å²	113	41.7 Å²	41.7	53%	0.528	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.8	-178.4	-60	179.9	25.4	0	0	111	A71 I78 S79	Q69-A71 PolarHBondContact O-N 3.35Å; Q69-I78 WeakPolarHBondContact O-CA 3.36Å; Q69-S79 PolarHBondContact N-O 3.09Å; Q69-S79 PolarHBondContact O-N 3.46Å
70	G	95.4	Very high	96.8	Very high	47 Å²	47	41.4 Å²	41.4	49%	0.485	27%	0.269	S	S	.	.	S	Bend	trans	72.3	1.9	179.5	0	0	0	0	0	114.7	S72 S75	G70-S72 PolarHBondContact O-N 2.95Å; G70-S72 VanDerWaalsContact O-N 3.14Å; G70-S75 WeakPolarHBondContact O-CB 3.41Å; G70-S75 PolarHBondContact O-OG 3.39Å
71	A	95.1	Very high	96.8	Very high	25 Å²	25	44.8 Å²	44.8	21%	0.207	29%	0.29	C	S	.	.			trans	-83.6	91.7	-177.3	0	0	0	0	0	112.1	L48 L54 L68 Q69 I78	L48-A71 HydrophobicContact CD1-CB 4.41Å; L54-A71 HydrophobicContact CD1-CB 3.71Å; L54-A71 VanDerWaalsContact CD1-O 3.28Å; L54-A71 WeakPolarHBondContact CD1-O 3.48Å; L68-A71 HydrophobicContact CD1-CB 4Å; L68-A71 HydrophobicContact CD2-CB 3.43Å; L68-A71 VanDerWaalsContact CD2-CB 3.43Å; L68-A71 HydrophobicContact CG-CB 3.51Å; Q69-A71 PolarHBondContact O-N 3.35Å; A71-I78 HydrophobicContact CB-CG2 4.07Å
72	S	95.2	Very high	96.8	Very high	65 Å²	65	45 Å²	45	46%	0.455	29%	0.292	S	S	.	.	S	Bend	trans	-134.2	166.1	168.1	64.8	0	0	0	0	110	L48 G70 G74 S75	L48-S72 WeakPolarHBondContact CB-O 3.36Å; G70-S72 PolarHBondContact O-N 2.95Å; G70-S72 VanDerWaalsContact O-N 3.14Å; S72-G74 PolarHBondContact O-N 2.86Å; S72-S75 PolarHBondContact N-OG 3.41Å; S72-S75 WeakPolarHBondContact O-CB 3.48Å; S72-S75 PolarHBondContact O-N 3.48Å; S72-S75 VanDerWaalsContact O-N 3.11Å; S72-S75 PolarHBondContact O-OG 2.62Å; S72-S75 VanDerWaalsContact O-OG 3.11Å; S72-S75 PolarHBondContact OG-OG 2.86Å
73	I	94.6	Very high	96.7	Very high	94 Å²	94	42.6 Å²	42.6	48%	0.482	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	129	177.4	-62.7	-61.6	0	0	0	109.3	L48 P51 L54	L48-I73 WeakPolarHBondContact O-CA 3.38Å; P51-I73 HydrophobicContact CG-CD1 4.46Å; L54-I73 HydrophobicContact CB-CD1 4.04Å; L54-I73 HydrophobicContact CD2-CD1 3.76Å; L54-I73 HydrophobicContact CD2-CG1 3.95Å
74	G	94	Very high	96.5	Very high	42 Å²	42	47.9 Å²	47.9	43%	0.433	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-8.9	-177.8	0	0	0	0	0	115.1	L48 S72 T76	L48-G74 PolarHBondContact O-N 3.28Å; S72-G74 PolarHBondContact O-N 2.86Å; G74-T76 PolarHBondContact O-N 3.42Å
75	S	96.4	Very high	96.5	Very high	20 Å²	20	48.2 Å²	48.2	14%	0.14	31%	0.311	C	S	.	.			trans	-57.1	134.3	177.6	-66.3	0	0	0	0	112.6	G47 L48 G70 S72	G47-S75 CarbonylContact C-O 3.59Å; G47-S75 WeakPolarHBondContact CA-O 3.29Å; L48-S75 PolarHBondContact N-O 3.03Å; G70-S75 WeakPolarHBondContact O-CB 3.41Å; G70-S75 PolarHBondContact O-OG 3.39Å; S72-S75 PolarHBondContact N-OG 3.41Å; S72-S75 WeakPolarHBondContact O-CB 3.48Å; S72-S75 PolarHBondContact O-N 3.48Å; S72-S75 VanDerWaalsContact O-N 3.11Å; S72-S75 PolarHBondContact O-OG 2.62Å; S72-S75 VanDerWaalsContact O-OG 3.11Å; S72-S75 PolarHBondContact OG-OG 2.86Å
76	T	96.2	Very high	96.3	Very high	68 Å²	68	50.8 Å²	50.8	42%	0.417	31%	0.31	S	S	.	.	S	Bend	trans	-93.3	-13.4	176.1	50.3	0	0	0	0	112.8	I37 K38 I39 G74	I37-T76 CarbonylContact C-O 3.42Å; K38-T76 PolarHBondContact N-O 2.87Å; I39-T76 WeakPolarHBondContact CB-O 3.02Å; I39-T76 VanDerWaalsContact CG1-O 3.23Å; I39-T76 WeakPolarHBondContact CG1-O 3.42Å; I39-T76 PolarHBondContact N-O 2.81Å; G74-T76 PolarHBondContact O-N 3.42Å
77	D	97.1	Very high	96.3	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.364	31%	0.313	S	S	.	.			trans	-142.6	137.5	-174.7	-54.1	-94.9	0	0	0	109.3	I36 I37	I36-D77 CarbonylContact O-C 3.6Å; I36-D77 VanDerWaalsContact O-CA 3.23Å; I36-D77 WeakPolarHBondContact O-CA 3.2Å; I37-D77 WeakPolarHBondContact CA-OD1 3.31Å; I37-D77 WeakPolarHBondContact CB-OD1 3.5Å; I37-D77 VanDerWaalsContact CG2-OD1 3.26Å; I37-D77 WeakPolarHBondContact CG2-OD1 3.45Å
78	I	97.8	Very high	96.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160	173.2	62.9	84.3	0	0	0	110.6	K35 I36 I39 L48 L57 L68 Q69 A71	K35-I78 CarbonylContact C-O 3.54Å; K35-I78 WeakPolarHBondContact CA-O 2.96Å; I36-I78 HydrophobicContact CB-CD1 4.05Å; I36-I78 HydrophobicContact CB-CG1 4.09Å; I36-I78 HydrophobicContact CD1-CD1 3.9Å; I36-I78 HydrophobicContact CD1-CG1 4.46Å; I36-I78 HydrophobicContact CG1-CD1 3.83Å; I36-I78 HydrophobicContact CG1-CG1 4.39Å; I36-I78 PolarHBondContact N-O 3.2Å; I36-I78 PolarHBondContact O-N 3.09Å; I39-I78 HydrophobicContact CD1-CB 4.43Å; I39-I78 HydrophobicContact CD1-CG1 3.96Å; I39-I78 HydrophobicContact CD1-CG2 3.96Å; L48-I78 HydrophobicContact CD1-CG2 3.83Å; L57-I78 HydrophobicContact CD1-CG1 4.36Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; Q69-I78 WeakPolarHBondContact O-CA 3.36Å; A71-I78 HydrophobicContact CB-CG2 4.07Å
79	S	98.2	Very high	96.2	Very high	36 Å²	36	55 Å²	55	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.8	168.3	-58.2	0	0	0	0	109.9	I34 L68 Q69	I34-S79 CarbonylContact O-C 3.52Å; I34-S79 VanDerWaalsContact O-CA 3.32Å; I34-S79 WeakPolarHBondContact O-CA 3.42Å; L68-S79 WeakPolarHBondContact CA-O 3.22Å; Q69-S79 PolarHBondContact N-O 3.09Å; Q69-S79 PolarHBondContact O-N 3.46Å
80	L	98.4	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.3	175.4	174.5	65.5	0	0	0	108.2	A24 A33 I34 V60 S67 L68	A24-L80 HydrophobicContact CB-CD2 4Å; A33-L80 WeakPolarHBondContact CA-O 3.42Å; I34-L80 HydrophobicContact CD1-CB 4.38Å; I34-L80 HydrophobicContact CD1-CD2 4.49Å; I34-L80 HydrophobicContact CG1-CB 3.86Å; I34-L80 PolarHBondContact N-O 2.88Å; I34-L80 PolarHBondContact O-N 3.02Å; V60-L80 HydrophobicContact CG1-CD2 4.23Å; S67-L80 WeakPolarHBondContact O-CA 3.05Å; L68-L80 HydrophobicContact CB-CD1 4.37Å; L68-L80 HydrophobicContact CD1-CB 4.23Å; L68-L80 HydrophobicContact CD1-CD1 4.35Å
81	T	98.2	Very high	96.3	Very high	72 Å²	72	52 Å²	52	44%	0.442	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.4	168.2	-57.5	0	0	0	0	107.6	A33 G66 S67	A33-T81 HydrophobicContact CB-CG2 4.39Å; G66-T81 CarbonylContact C-O 3.59Å; G66-T81 VanDerWaalsContact CA-O 3.22Å; G66-T81 WeakPolarHBondContact CA-O 3.38Å; S67-T81 PolarHBondContact N-O 2.92Å; S67-T81 PolarHBondContact O-N 2.91Å
82	P	97.4	Very high	96.5	Very high	18 Å²	18	51 Å²	51	12%	0.117	30%	0.303	C	S	.	.			trans	-70.5	144.3	-177	31.7	-36.8	0	0	0	110.8	S27 G31	S27-P82 WeakPolarHBondContact O-CG 3.27Å; G31-P82 VanDerWaalsContact C-CG 3.43Å; G31-P82 WeakPolarHBondContact O-CG 2.91Å
83	G	96.2	Very high	96.6	Very high	34 Å²	34	51.2 Å²	51.2	35%	0.351	30%	0.299	S	S	.	.			trans	-101.9	-153.3	167.4	0	0	0	0	0	111.2	C64	C64-G83 CarbonylContact O-C 3.59Å; C64-G83 WeakPolarHBondContact O-CA 3.39Å; C64-G83 PolarHBondContact O-N 2.93Å; C64-G83 VanDerWaalsContact O-N 3.08Å
84	K	94.2	Very high	96.6	Very high	110 Å²	110	46.9 Å²	46.9	48%	0.478	28%	0.277	S	S	.	.			trans	-76.3	128.5	174.7	-171	-177.4	-179.4	-172.5	0	110.3	C64 R86 N364	C64-K84 CarbonylContact C-O 3.5Å; C64-K84 VanDerWaalsContact C-O 3.23Å; C64-K84 CarbonylContact O-C 3.55Å; C64-K84 PolarHBondContact O-N 2.93Å; C64-K84 VanDerWaalsContact O-O 3.04Å; K84-R86 PolarHBondContact O-N 3.35Å; K84-N364 WeakPolarHBondContact CE-OD1 3.33Å
85	V	95.9	Very high	96.6	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.042	29%	0.294	C	S	.	.			trans	-63.4	128.7	170.5	-169.3	0	0	0	0	110.2	L63 C64 C110 A114	L63-V85 WeakPolarHBondContact O-CA 3.38Å; C64-V85 HydrophobicContact CB-CG2 4.39Å; V85-C110 WeakPolarHBondContact CG1-O 3.48Å; V85-A114 HydrophobicContact CG1-CB 4.21Å
86	R	91.7	Very high	96.5	Very high	129 Å²	129	54.4 Å²	54.4	49%	0.487	30%	0.302	S	S	.	.			trans	-127.3	146.9	-179	-68.1	-179.6	-176.3	-106.8	3.5	111.1	L63 K84	L63-R86 PolarHBondContact O-N 3.26Å; K84-R86 PolarHBondContact O-N 3.35Å
87	S	96.2	Very high	96.4	Very high	39 Å²	39	51.8 Å²	51.8	27%	0.273	29%	0.288	S	S	.	.			trans	-70.5	163.8	164	58.4	0	0	0	0	111.3	D115 A116 S118	S87-D115 WeakPolarHBondContact CB-OD1 3.23Å; S87-D115 PolarHBondContact N-OD1 2.96Å; S87-D115 PolarHBondContact OG-OD1 3.06Å; S87-A116 WeakPolarHBondContact CB-O 3.19Å; S87-S118 WeakPolarHBondContact CA-OG 3.33Å
88	G	96.2	Very high	96.3	Very high	27 Å²	27	49.1 Å²	49.1	28%	0.278	28%	0.276	S	S	.	.	S	Bend	trans	149.3	-168.1	176.8	0	0	0	0	0	113.5	S118 Q119	G88-S118 WeakPolarHBondContact O-CA 3.38Å; G88-Q119 PolarHBondContact O-N 3.46Å
89	N	98	Very high	96.3	Very high	138 Å²	138	49.1 Å²	49.1	74%	0.738	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.4	177.2	-62.1	-27.3	0	0	0	109.1	Q119	N89-Q119 CarbonylContact C-O 3.54Å; N89-Q119 WeakPolarHBondContact CA-O 3.36Å; N89-Q119 VanDerWaalsContact OD1-CB 3.28Å; N89-Q119 WeakPolarHBondContact OD1-CB 3.39Å; N89-Q119 WeakPolarHBondContact OD1-CG 3.41Å
90	H	97.9	Very high	96.3	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.065	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.3	-179.9	-56.2	-83.1	0	0	0	109.5	L59 D62 L63 Q119 L120 L121	L59-H90 HydrophobicContact CD1-CB 3.66Å; D62-H90 IonicContact OD2-CE1 2.76Å; D62-H90 IonicContact OD2-CG 3.02Å; D62-H90 IonicContact OD2-ND1 2.83Å; D62-H90 PolarHBondContact OD2-ND1 3.47Å; L63-H90 VanDerWaalsContact CD2-CD2 3.43Å; L63-H90 WeakPolarHBondContact CD2-CD2 3.12Å; H90-Q119 PolarHBondContact N-O 3.21Å; H90-L120 HydrophobicContact CB-CD2 3.91Å; H90-L120 CarbonylContact O-C 3.55Å; H90-L120 WeakPolarHBondContact O-CA 3.26Å; H90-L121 PolarHBondContact O-N 3.29Å
91	T	98.3	Very high	96.3	Very high	85 Å²	85	47.5 Å²	47.5	52%	0.521	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.6	177.8	-62.2	0	0	0	0	109.8	L121	T91-L121 WeakPolarHBondContact CA-O 3.41Å; T91-L121 HydrophobicContact CG2-CB 4.34Å; T91-L121 HydrophobicContact CG2-CD2 4.31Å; T91-L121 HydrophobicContact CG2-CG 4.49Å
92	A	98	Very high	96.3	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	107.2	175.9	0	0	0	0	0	109.8	T55 L59 L103 L121 L122 K123	T55-A92 HydrophobicContact CG2-CB 3.79Å; L59-A92 HydrophobicContact CB-CB 4.14Å; L59-A92 HydrophobicContact CD1-CB 4.19Å; L59-A92 HydrophobicContact CD2-CB 3.66Å; L59-A92 HydrophobicContact CG-CB 4.21Å; A92-L103 HydrophobicContact CB-CD1 3.93Å; A92-L121 PolarHBondContact N-O 2.9Å; A92-L122 HydrophobicContact CB-CD2 3.97Å; A92-K123 PolarHBondContact O-N 3.48Å
93	D	97.6	Very high	96.3	Very high	69 Å²	69	44.1 Å²	44.1	37%	0.369	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.8	179.1	-167	-13.8	0	0	0	110.5	Q95 K123	D93-Q95 PolarHBondContact O-N 3.37Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.36Å; D93-Q95 PolarHBondContact OD1-N 2.91Å; D93-K123 HydrophobicContact CB-CB 4.01Å; D93-K123 HydrophobicContact CB-CD 4.33Å
94	T	94.4	Very high	96.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	23%	0.227	C	C	.	.			trans	-74.6	-10.8	177.1	62.9	0	0	0	0	113.1	Q52 T55 T96 L103 K123 G124	Q52-T94 HydrophobicContact CB-CG2 4.32Å; T55-T94 HydrophobicContact CG2-CG2 4.4Å; T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact O-OG1 3.49Å; T94-T96 PolarHBondContact OG1-O 2.9Å; T94-L103 HydrophobicContact CG2-CD1 3.69Å; T94-L103 HydrophobicContact CG2-CD2 4.43Å; T94-L103 HydrophobicContact CG2-CG 4.29Å; T94-K123 PolarHBondContact N-O 3.14Å; T94-K123 PolarHBondContact OG1-O 2.94Å; T94-K123 VanDerWaalsContact OG1-O 3.12Å; T94-G124 WeakPolarHBondContact OG1-CA 3.33Å
95	Q	94.4	Very high	96.6	Very high	168 Å²	168	39.2 Å²	39.2	79%	0.785	21%	0.213	S	C	*	.	S	Bend	trans	51.8	16.1	-175	-59.7	-177.1	-18.4	0	0	114.1	D93	D93-Q95 PolarHBondContact O-N 3.37Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.36Å; D93-Q95 PolarHBondContact OD1-N 2.91Å
96	T	93.6	Very high	96.7	Very high	52 Å²	52	38.9 Å²	38.9	32%	0.319	21%	0.211	S	C	.	.	S	Bend	trans	-149.9	-174.2	-172.9	59	0	0	0	0	108.7	P51 T94 G98 G124 K164	P51-T96 HydrophobicContact CG-CG2 4.19Å; T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact O-OG1 3.49Å; T94-T96 PolarHBondContact OG1-O 2.9Å; T96-G98 PolarHBondContact O-N 3.41Å; T96-G98 VanDerWaalsContact O-N 3.17Å; T96-G98 PolarHBondContact OG1-N 2.92Å; T96-G124 WeakPolarHBondContact O-CA 3.41Å; T96-K164 CarbonylContact C-O 3.46Å
97	A	93.9	Very high	97	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	19%	0.188	C	C	.	.	S	Bend	trans	-79.5	25.3	170.5	0	0	0	0	0	114.2	S99 Y162	A97-S99 PolarHBondContact O-N 2.91Å; A97-Y162 HydrophobicContact CB-CD2 4.25Å
98	G	95.9	Very high	97.1	Very high	11 Å²	11	31 Å²	31	11%	0.113	18%	0.175	C	C	.	.			trans	-60.2	133.6	174.7	0	0	0	0	0	110.9	T96 V100 G124 G125	T96-G98 PolarHBondContact O-N 3.41Å; T96-G98 VanDerWaalsContact O-N 3.17Å; T96-G98 PolarHBondContact OG1-N 2.92Å; G98-V100 PolarHBondContact O-N 2.82Å; G98-G124 CarbonylContact O-C 3.55Å; G98-G124 WeakPolarHBondContact O-CA 3.34Å; G98-G125 PolarHBondContact O-N 3.4Å
99	S	97.6	Very high	97.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-63.9	123.5	-173.1	160.5	0	0	0	0	113.6	Q52 A97 C101 L102 L103 G125 A131	Q52-S99 VanDerWaalsContact NE2-C 3.29Å; Q52-S99 PolarHBondContact NE2-O 3.47Å; A97-S99 PolarHBondContact O-N 2.91Å; S99-C101 PolarHBondContact O-N 2.81Å; S99-C101 WeakPolarHBondContact OG-CB 3.3Å; S99-C101 PolarHBondContact OG-N 2.76Å; S99-C101 VanDerWaalsContact OG-N 3.09Å; S99-L102 PolarHBondContact O-N 3.35Å; S99-L102 PolarHBondContact OG-N 2.8Å; S99-L103 PolarHBondContact O-N 2.88Å; S99-G125 WeakPolarHBondContact CA-O 3.34Å; S99-A131 VanDerWaalsContact CB-CB 3.47Å; S99-A131 WeakPolarHBondContact OG-CB 3.47Å
100	V	98.2	Very high	97.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-26.8	171.6	-57.9	0	0	0	0	111.8	G98 L103 L104 L122 G125 T126 I134 V169	G98-V100 PolarHBondContact O-N 2.82Å; V100-L103 WeakPolarHBondContact O-CB 3.41Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L104 PolarHBondContact O-N 3.03Å; V100-L122 HydrophobicContact CB-CB 3.95Å; V100-L122 HydrophobicContact CG1-CB 4.17Å; V100-G125 PolarHBondContact N-O 3.42Å; V100-T126 HydrophobicContact CG2-CG2 4.22Å; V100-I134 HydrophobicContact CG2-CD1 4.37Å; V100-V169 HydrophobicContact CG2-CG2 3.89Å
101	C	98.1	Very high	97.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-38.2	178.3	-54	0	0	0	0	111.9	S99 L104 Q105 P132 I134	S99-C101 PolarHBondContact O-N 2.81Å; S99-C101 WeakPolarHBondContact OG-CB 3.3Å; S99-C101 PolarHBondContact OG-N 2.76Å; S99-C101 VanDerWaalsContact OG-N 3.09Å; C101-L104 WeakPolarHBondContact O-CB 3.25Å; C101-L104 PolarHBondContact O-N 2.65Å; C101-Q105 WeakPolarHBondContact O-CG 3.41Å; C101-Q105 PolarHBondContact O-N 2.76Å; C101-P132 PolarHBondContact SG-O 3.36Å; C101-I134 VanDerWaalsContact SG-CA 3.6Å
102	L	97.8	Very high	97.3	Very high	18 Å²	18	18.6 Å²	18.6	9%	0.094	10%	0.1	C	C	.	.	H	α-helix	trans	-75.7	-27.9	175.8	-48.1	179.5	0	0	0	111.9	R21 Q52 S99 L104 Q105 A106 A131	R21-L102 WeakPolarHBondContact CD-O 3.26Å; Q52-L102 VanDerWaalsContact NE2-CB 3.29Å; S99-L102 PolarHBondContact O-N 3.35Å; S99-L102 PolarHBondContact OG-N 2.8Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-Q105 PolarHBondContact O-N 2.92Å; L102-A106 PolarHBondContact O-N 3.11Å; L102-A131 HydrophobicContact CD1-CB 3.98Å; L102-A131 HydrophobicContact CD2-CB 4.24Å; L102-A131 HydrophobicContact CG-CB 3.96Å
103	L	98.4	Very high	97.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-45.8	167.7	-65.9	-179.9	0	0	0	110.3	Q52 T55 A92 T94 S99 V100 Q105 A106 A107 L122	Q52-L103 HydrophobicContact CG-CD2 4.27Å; T55-L103 HydrophobicContact CG2-CD1 4.34Å; T55-L103 HydrophobicContact CG2-CD2 4.09Å; A92-L103 HydrophobicContact CB-CD1 3.93Å; T94-L103 HydrophobicContact CG2-CD1 3.69Å; T94-L103 HydrophobicContact CG2-CD2 4.43Å; T94-L103 HydrophobicContact CG2-CG 4.29Å; S99-L103 PolarHBondContact O-N 2.88Å; V100-L103 WeakPolarHBondContact O-CB 3.41Å; V100-L103 PolarHBondContact O-N 3.46Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.5Å; L103-A106 PolarHBondContact O-N 2.92Å; L103-A106 VanDerWaalsContact O-N 3.15Å; L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.33Å; L103-L122 HydrophobicContact CB-CD1 4.42Å; L103-L122 HydrophobicContact CB-CD2 4.25Å
104	L	98.6	Very high	97.3	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61.2	-40.9	176.2	-175.4	63.9	0	0	0	112.1	V100 C101 L102 A106 A107 L108 L120 L122 T137 F152 V171	V100-L104 PolarHBondContact O-N 3.03Å; C101-L104 WeakPolarHBondContact O-CB 3.25Å; C101-L104 PolarHBondContact O-N 2.65Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 3.05Å; L104-L108 HydrophobicContact CD1-CB 3.82Å; L104-L108 HydrophobicContact CG-CB 4.17Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 PolarHBondContact O-N 3.28Å; L104-L120 HydrophobicContact CD1-CD1 4.31Å; L104-L122 HydrophobicContact CB-CD1 3.74Å; L104-L122 HydrophobicContact CD1-CD1 4.16Å; L104-T137 HydrophobicContact CD2-CG2 3.56Å; L104-F152 HydrophobicContact CD2-CE2 4.11Å; L104-V171 HydrophobicContact CD1-CB 4.41Å; L104-V171 HydrophobicContact CD1-CG1 3.93Å; L104-V171 HydrophobicContact CD1-CG2 4.14Å
105	Q	98.1	Very high	97.4	Very high	37 Å²	37	17.9 Å²	17.9	17%	0.173	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-32	176	-76.6	178.5	4	0	0	113.2	C101 L102 L103 P109 Q298	C101-Q105 WeakPolarHBondContact O-CG 3.41Å; C101-Q105 PolarHBondContact O-N 2.76Å; L102-Q105 PolarHBondContact O-N 2.92Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.5Å; Q105-P109 WeakPolarHBondContact O-CD 3.24Å; Q105-Q298 VanDerWaalsContact NE2-CD 3.35Å
106	A	97.8	Very high	97.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-78.5	-40.5	175.2	0	0	0	0	0	112	R21 V60 L102 L103 L104 C110	R21-A106 HydrophobicContact CB-CB 4.03Å; R21-A106 HydrophobicContact CG-CB 4Å; V60-A106 HydrophobicContact CG2-CB 4.05Å; L102-A106 PolarHBondContact O-N 3.11Å; L103-A106 PolarHBondContact O-N 2.92Å; L103-A106 VanDerWaalsContact O-N 3.15Å; L104-A106 PolarHBondContact O-N 2.86Å; A106-C110 PolarHBondContact O-SG 2.84Å; A106-C110 VanDerWaalsContact O-SG 3.35Å
107	A	98.4	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-89.1	-35.7	-169.4	0	0	0	0	0	114.6	L59 L63 L103 L104 C110 A111 L120	L59-A107 HydrophobicContact CD2-CB 3.41Å; L59-A107 VanDerWaalsContact CD2-CB 3.41Å; L59-A107 HydrophobicContact CG-CB 3.94Å; L63-A107 HydrophobicContact CD1-CB 3.76Å; L103-A107 WeakPolarHBondContact O-CB 3.46Å; L103-A107 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 3.05Å; A107-C110 WeakPolarHBondContact O-CB 3.47Å; A107-C110 PolarHBondContact O-N 3.06Å; A107-C110 VanDerWaalsContact O-N 3.15Å; A107-A111 PolarHBondContact O-N 3.47Å; A107-L120 HydrophobicContact CB-CD1 3.96Å
108	L	98.7	Very high	98	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-57.6	-51.2	-175.5	178.5	65.3	0	0	0	111.4	L104 C110 A111 L112 F141 F152 A173 F302	L104-L108 HydrophobicContact CD1-CB 3.82Å; L104-L108 HydrophobicContact CG-CB 4.17Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 PolarHBondContact O-N 3.28Å; L108-C110 PolarHBondContact O-N 2.9Å; L108-A111 PolarHBondContact O-N 3.44Å; L108-A111 VanDerWaalsContact O-N 3.09Å; L108-L112 HydrophobicContact CD1-CD2 4.19Å; L108-L112 HydrophobicContact CD1-CG 4.4Å; L108-L112 HydrophobicContact CG-CD1 4.5Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.83Å; L108-F141 HydrophobicContact CD2-CE1 3.67Å; L108-F141 HydrophobicContact CD2-CZ 4.11Å; L108-F152 HydrophobicContact CD1-CB 4.05Å; L108-F152 HydrophobicContact CD1-CD1 4.28Å; L108-F152 HydrophobicContact CD1-CD2 4.47Å; L108-F152 HydrophobicContact CD1-CG 4.02Å; L108-F152 HydrophobicContact CD2-CD1 4.09Å; L108-F152 HydrophobicContact CD2-CE1 3.93Å; L108-F152 HydrophobicContact CD2-CE2 4.42Å; L108-F152 HydrophobicContact CD2-CG 4.4Å; L108-F152 HydrophobicContact CD2-CZ 4.08Å; L108-A173 HydrophobicContact CD1-CB 3.94Å; L108-F302 HydrophobicContact CD2-CZ 4.47Å
109	P	98.4	Very high	98.1	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-55.6	-39.6	178.8	-24.3	35.3	0	0	0	112.5	A25 I29 Q105 Y113 I301 F302	A25-P109 HydrophobicContact CB-CB 4.38Å; I29-P109 HydrophobicContact CD1-CB 3.78Å; I29-P109 WeakPolarHBondContact CD1-O 3.48Å; Q105-P109 WeakPolarHBondContact O-CD 3.24Å; P109-Y113 WeakPolarHBondContact O-CD2 3.39Å; P109-I301 HydrophobicContact CB-CD1 3.91Å; P109-I301 HydrophobicContact CG-CD1 3.95Å; P109-I301 HydrophobicContact CG-CG2 4.25Å; P109-F302 HydrophobicContact CG-CZ 4.15Å
110	C	98.4	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-48.5	177	-55	0	0	0	0	111.7	C28 L63 V85 A106 A107 L108 L112 Y113	C28-C110 HydrophobicContact CB-CB 4.5Å; C28-C110 VanDerWaalsContact SG-CB 3.52Å; C28-C110 PolarHBondContact SG-SG 3.38Å; L63-C110 HydrophobicContact CB-CB 4.41Å; L63-C110 HydrophobicContact CD1-CB 4.05Å; V85-C110 WeakPolarHBondContact CG1-O 3.48Å; A106-C110 PolarHBondContact O-SG 2.84Å; A106-C110 VanDerWaalsContact O-SG 3.35Å; A107-C110 WeakPolarHBondContact O-CB 3.47Å; A107-C110 PolarHBondContact O-N 3.06Å; A107-C110 VanDerWaalsContact O-N 3.15Å; L108-C110 PolarHBondContact O-N 2.9Å; C110-L112 PolarHBondContact O-N 3.02Å; C110-Y113 PolarHBondContact O-N 3.42Å
111	A	98.4	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63	-27.3	-176.5	0	0	0	0	0	113.2	A107 L108 Y113 A114 L120 A173	A107-A111 PolarHBondContact O-N 3.47Å; L108-A111 PolarHBondContact O-N 3.44Å; L108-A111 VanDerWaalsContact O-N 3.09Å; A111-Y113 PolarHBondContact O-N 2.88Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 2.63Å; A111-L120 HydrophobicContact CB-CD1 4.49Å; A111-A173 HydrophobicContact CB-CB 3.84Å
112	L	98.3	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.5	175.8	-59.7	173.5	0	0	0	113.2	L108 C110 V150 Q174 P175 L176 F302 N362	L108-L112 HydrophobicContact CD1-CD2 4.19Å; L108-L112 HydrophobicContact CD1-CG 4.4Å; L108-L112 HydrophobicContact CG-CD1 4.5Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.83Å; C110-L112 PolarHBondContact O-N 3.02Å; L112-V150 HydrophobicContact CD1-CB 4.4Å; L112-V150 HydrophobicContact CD1-CG1 3.82Å; L112-V150 HydrophobicContact CD1-CG2 3.75Å; L112-V150 HydrophobicContact CD2-CG1 3.76Å; L112-V150 HydrophobicContact CG-CG1 4.42Å; L112-Q174 VanDerWaalsContact CD2-O 3.31Å; L112-Q174 WeakPolarHBondContact CD2-O 3.22Å; L112-P175 WeakPolarHBondContact O-CA 3.22Å; L112-L176 HydrophobicContact CB-CD2 4.12Å; L112-L176 HydrophobicContact CB-CG 4.25Å; L112-L176 HydrophobicContact CD1-CD2 4.17Å; L112-L176 HydrophobicContact CD2-CD2 4.05Å; L112-L176 HydrophobicContact CG-CD2 4.3Å; L112-L176 PolarHBondContact O-N 3.03Å; L112-F302 HydrophobicContact CD1-CE1 3.89Å; L112-N362 PolarHBondContact O-ND2 3.3Å
113	Y	98	Very high	98.2	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	15.3	179.7	-75.3	-95.9	0	0	0	112.9	I29 P109 C110 A111 L179 L305 V360 N362 N364	I29-Y113 HydrophobicContact CD1-CD2 4.11Å; I29-Y113 HydrophobicContact CD1-CE2 4.36Å; I29-Y113 HydrophobicContact CG1-CD2 4.03Å; I29-Y113 HydrophobicContact CG1-CG 4.32Å; I29-Y113 HydrophobicContact CG2-CD1 4.01Å; I29-Y113 HydrophobicContact CG2-CD2 3.97Å; I29-Y113 HydrophobicContact CG2-CE1 4.11Å; I29-Y113 HydrophobicContact CG2-CE2 4.04Å; I29-Y113 HydrophobicContact CG2-CG 3.96Å; P109-Y113 WeakPolarHBondContact O-CD2 3.39Å; C110-Y113 PolarHBondContact O-N 3.42Å; A111-Y113 PolarHBondContact O-N 2.88Å; Y113-L179 HydrophobicContact CE2-CD1 4.44Å; Y113-L305 HydrophobicContact CE2-CD1 4.23Å; Y113-V360 HydrophobicContact CD1-CG1 4.36Å; Y113-V360 HydrophobicContact CE1-CB 4.04Å; Y113-V360 HydrophobicContact CE1-CG1 3.67Å; Y113-V360 WeakPolarHBondContact CE1-O 3.43Å; Y113-V360 PolarHBondContact OH-O 3.27Å; Y113-N362 WeakPolarHBondContact CA-ND2 3.38Å; Y113-N362 HydrophobicContact CD1-CB 3.8Å; Y113-N362 HydrophobicContact CE1-CB 4.2Å; Y113-N362 PolarHBondContact O-OD1 3.31Å; Y113-N362 VanDerWaalsContact O-OD1 3.13Å; Y113-N364 PolarHBondContact O-ND2 3.39Å
114	A	97.6	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-74.9	171.4	172.4	0	0	0	0	0	112.6	V85 A111 P175 N362	V85-A114 HydrophobicContact CG1-CB 4.21Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 2.63Å; A114-P175 WeakPolarHBondContact O-CB 3.33Å; A114-N362 PolarHBondContact O-ND2 3.09Å
115	D	96.3	Very high	98.1	Very high	58 Å²	58	17 Å²	17	31%	0.31	10%	0.096	S	C	.	.	S	Bend	trans	-82.1	-15.3	176.4	51.4	-1.3	0	0	0	114.3	S87 N364	S87-D115 WeakPolarHBondContact CB-OD1 3.23Å; S87-D115 PolarHBondContact N-OD1 2.96Å; S87-D115 PolarHBondContact OG-OD1 3.06Å; D115-N364 WeakPolarHBondContact CA-O 2.99Å; D115-N364 HydrophobicContact CB-CB 4Å; D115-N364 WeakPolarHBondContact CB-O 3.47Å
116	A	97.9	Very high	98.1	Very high	43 Å²	43	15.2 Å²	15.2	36%	0.355	9%	0.088	S	C	.	.	S	Bend	trans	-157.8	-175.6	176.1	0	0	0	0	0	109.8	S87	S87-A116 WeakPolarHBondContact CB-O 3.19Å
117	A	98.2	Very high	98	Very high	40 Å²	40	15.3 Å²	15.3	33%	0.331	9%	0.088	S	C	.	.			trans	-63.8	135.6	178.8	0	0	0	0	0	112.5	A173	A117-A173 WeakPolarHBondContact CA-O 3.32Å
118	S	98.4	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.7	176.8	-61.9	0	0	0	0	111.7	S87 G88 T172 A173	S87-S118 WeakPolarHBondContact CA-OG 3.33Å; G88-S118 WeakPolarHBondContact O-CA 3.38Å; S118-T172 WeakPolarHBondContact O-CA 3.41Å; S118-A173 PolarHBondContact N-O 3.03Å; S118-A173 PolarHBondContact O-N 2.64Å
119	Q	98.6	Very high	97.3	Very high	71 Å²	71	20.6 Å²	20.6	33%	0.332	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.2	172.2	-60.4	-64.7	-27.3	0	0	109.4	G88 N89 H90 V171 T172	G88-Q119 PolarHBondContact O-N 3.46Å; N89-Q119 CarbonylContact C-O 3.54Å; N89-Q119 WeakPolarHBondContact CA-O 3.36Å; N89-Q119 VanDerWaalsContact OD1-CB 3.28Å; N89-Q119 WeakPolarHBondContact OD1-CB 3.39Å; N89-Q119 WeakPolarHBondContact OD1-CG 3.41Å; H90-Q119 PolarHBondContact N-O 3.21Å; Q119-V171 CarbonylContact C-O 3.23Å; Q119-V171 WeakPolarHBondContact CA-O 3.33Å; Q119-T172 VanDerWaalsContact CD-OG1 3.25Å; Q119-T172 PolarHBondContact NE2-OG1 3.38Å; Q119-T172 PolarHBondContact OE1-OG1 3.46Å
120	L	98.6	Very high	96.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.7	177.2	-44	175.7	0	0	0	109.1	L63 H90 L104 A107 A111 L122 A170 V171	L63-L120 HydrophobicContact CD2-CD2 4.04Å; H90-L120 HydrophobicContact CB-CD2 3.91Å; H90-L120 CarbonylContact O-C 3.55Å; H90-L120 WeakPolarHBondContact O-CA 3.26Å; L104-L120 HydrophobicContact CD1-CD1 4.31Å; A107-L120 HydrophobicContact CB-CD1 3.96Å; A111-L120 HydrophobicContact CB-CD1 4.49Å; L120-L122 HydrophobicContact CB-CD2 4.1Å; L120-L122 HydrophobicContact CB-CG 4.33Å; L120-A170 CarbonylContact O-C 3.55Å; L120-A170 WeakPolarHBondContact O-CA 3.2Å; L120-V171 HydrophobicContact CB-CB 4.19Å; L120-V171 PolarHBondContact N-O 2.91Å; L120-V171 PolarHBondContact O-N 2.85Å
121	L	98.7	Very high	96.7	Very high	37 Å²	37	30.3 Å²	30.3	19%	0.194	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.6	171.4	-173.5	63.8	0	0	0	109.3	H90 T91 A92 E168 A170	H90-L121 PolarHBondContact O-N 3.29Å; T91-L121 WeakPolarHBondContact CA-O 3.41Å; T91-L121 HydrophobicContact CG2-CB 4.34Å; T91-L121 HydrophobicContact CG2-CD2 4.31Å; T91-L121 HydrophobicContact CG2-CG 4.49Å; A92-L121 PolarHBondContact N-O 2.9Å; L121-E168 HydrophobicContact CD1-CG 3.52Å; L121-E168 HydrophobicContact CG-CG 4.41Å; L121-A170 HydrophobicContact CD1-CB 4.31Å
122	L	98.6	Very high	96.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123	-175.1	-51.5	-178.3	0	0	0	110.2	L59 A92 V100 L103 L104 L120 E168 V169 V171	L59-L122 HydrophobicContact CD2-CD2 3.84Å; A92-L122 HydrophobicContact CB-CD2 3.97Å; V100-L122 HydrophobicContact CB-CB 3.95Å; V100-L122 HydrophobicContact CG1-CB 4.17Å; L103-L122 HydrophobicContact CB-CD1 4.42Å; L103-L122 HydrophobicContact CB-CD2 4.25Å; L104-L122 HydrophobicContact CB-CD1 3.74Å; L104-L122 HydrophobicContact CD1-CD1 4.16Å; L120-L122 HydrophobicContact CB-CD2 4.1Å; L120-L122 HydrophobicContact CB-CG 4.33Å; L122-E168 WeakPolarHBondContact O-CA 3.48Å; L122-V169 PolarHBondContact N-O 3.06Å; L122-V169 PolarHBondContact O-N 2.88Å; L122-V171 HydrophobicContact CD1-CG2 4.28Å
123	K	98.4	Very high	96.4	Very high	57 Å²	57	31.3 Å²	31.3	25%	0.248	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.8	-177.3	-61.8	-178.5	176.9	-169.1	0	112.7	A92 D93 T94 G167 E168	A92-K123 PolarHBondContact O-N 3.48Å; D93-K123 HydrophobicContact CB-CB 4.01Å; D93-K123 HydrophobicContact CB-CD 4.33Å; T94-K123 PolarHBondContact N-O 3.14Å; T94-K123 PolarHBondContact OG1-O 2.94Å; T94-K123 VanDerWaalsContact OG1-O 3.12Å; K123-G167 CarbonylContact C-O 3.53Å; K123-G167 WeakPolarHBondContact CA-O 3.33Å; K123-E168 WeakPolarHBondContact CE-OE2 3.13Å; K123-E168 HydrophobicContact CG-CG 4.32Å; K123-E168 IonicContact NZ-OE2 3.33Å; K123-E168 PolarHBondContact NZ-OE2 2.86Å
124	G	97.4	Very high	96.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-141.3	-177.5	0	0	0	0	0	113.9	T94 T96 G98 G165 G166 G167	T94-G124 WeakPolarHBondContact OG1-CA 3.33Å; T96-G124 WeakPolarHBondContact O-CA 3.41Å; G98-G124 CarbonylContact O-C 3.55Å; G98-G124 WeakPolarHBondContact O-CA 3.34Å; G124-G165 CarbonylContact O-C 3.46Å; G124-G166 PolarHBondContact O-N 3.07Å; G124-G167 PolarHBondContact N-O 3.03Å; G124-G167 WeakPolarHBondContact O-CA 3.39Å; G124-G167 PolarHBondContact O-N 3.14Å
125	G	97.6	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-85.2	122.8	173	0	0	0	0	0	111.8	G98 S99 V100 N127 G160	G98-G125 PolarHBondContact O-N 3.4Å; S99-G125 WeakPolarHBondContact CA-O 3.34Å; V100-G125 PolarHBondContact N-O 3.42Å; G125-N127 VanDerWaalsContact C-N 3.32Å; G125-G160 CarbonylContact C-O 3.54Å; G125-G160 WeakPolarHBondContact CA-O 3.34Å
126	T	97.6	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-79.2	-22.9	169.3	57.4	0	0	0	0	112.1	V100 I134 R159 G160 V169	V100-T126 HydrophobicContact CG2-CG2 4.22Å; T126-I134 HydrophobicContact CG2-CG2 4.48Å; T126-I134 PolarHBondContact O-N 3.27Å; T126-R159 WeakPolarHBondContact OG1-CA 3.31Å; T126-G160 PolarHBondContact N-O 2.85Å; T126-G160 PolarHBondContact OG1-N 3.12Å; T126-G160 PolarHBondContact OG1-O 3.45Å; T126-V169 HydrophobicContact CG2-CG2 3.86Å
127	N	95.7	Very high	96.6	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-137.1	76.2	-178.6	-64.6	81.3	0	0	0	107.3	G125 Q133 R159 G160 Y161 F198 L263	G125-N127 VanDerWaalsContact C-N 3.32Å; N127-Q133 WeakPolarHBondContact ND2-CB 3.49Å; N127-Q133 PolarHBondContact ND2-OE1 3.15Å; N127-R159 PolarHBondContact OD1-NH1 3.3Å; N127-G160 PolarHBondContact N-O 3.08Å; N127-Y161 HydrophobicContact CB-CD1 3.85Å; N127-Y161 HydrophobicContact CB-CE1 3.63Å; N127-F198 HydrophobicContact CB-CZ 4.44Å; N127-F198 WeakPolarHBondContact ND2-CZ 3.28Å; N127-L263 HydrophobicContact CB-CD1 4.42Å; N127-L263 HydrophobicContact CB-CD2 3.87Å; N127-L263 WeakPolarHBondContact O-CD1 3.25Å
128	A	93	Very high	96.6	Very high	12 Å²	12	27.7 Å²	27.7	10%	0.099	14%	0.143	C	C	.	.			trans	-96.6	156.2	178.9	0	0	0	0	0	111.3
129	E	89.6	Confident	96.6	Very high	101 Å²	101	33.3 Å²	33.3	47%	0.472	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	151.5	171.2	-59.8	-163.9	172.6	0	0	111.3	A131 K265	E129-A131 PolarHBondContact O-N 3.09Å; E129-A131 VanDerWaalsContact O-N 3.14Å; E129-K265 WeakPolarHBondContact OE1-CD 3.3Å; E129-K265 WeakPolarHBondContact OE1-CE 3.2Å; E129-K265 IonicContact OE1-NZ 3.02Å; E129-K265 PolarHBondContact OE1-NZ 2.91Å; E129-K265 IonicContact OE2-NZ 3.5Å; E129-K265 PolarHBondContact OE2-NZ 3.34Å
130	M	89.8	Confident	96.6	Very high	187 Å²	187	29.9 Å²	29.9	92%	0.921	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	27.6	178.2	-54	-61.6	-67.3	0	0	113.8
131	A	94.1	Very high	96.6	Very high	20 Å²	20	30.1 Å²	30.1	17%	0.165	15%	0.152	C	C	.	.	S	Bend	trans	-146.3	154.4	175.1	0	0	0	0	0	110.1	S99 L102 E129 Q133	S99-A131 VanDerWaalsContact CB-CB 3.47Å; S99-A131 WeakPolarHBondContact OG-CB 3.47Å; L102-A131 HydrophobicContact CD1-CB 3.98Å; L102-A131 HydrophobicContact CD2-CB 4.24Å; L102-A131 HydrophobicContact CG-CB 3.96Å; E129-A131 PolarHBondContact O-N 3.09Å; E129-A131 VanDerWaalsContact O-N 3.14Å; A131-Q133 PolarHBondContact O-N 2.91Å
132	P	94.3	Very high	96.6	Very high	19 Å²	19	30 Å²	30	12%	0.123	15%	0.15	C	C	.	.			trans	-58	139.3	171.1	-23.2	33.8	0	0	0	111.2	C101 Y136	C101-P132 PolarHBondContact SG-O 3.36Å; P132-Y136 HydrophobicContact CB-CD1 3.92Å; P132-Y136 HydrophobicContact CB-CG 4.25Å
133	Q	96.8	Very high	96.5	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	16%	0.163	C	C	.	.			trans	-69.1	149.1	169.2	-59.8	-170.4	24.1	0	0	109.7	N127 A131 D135 Y136 T137 I246 S261 A262 L263	N127-Q133 WeakPolarHBondContact ND2-CB 3.49Å; N127-Q133 PolarHBondContact ND2-OE1 3.15Å; A131-Q133 PolarHBondContact O-N 2.91Å; Q133-D135 PolarHBondContact O-N 3.35Å; Q133-D135 VanDerWaalsContact O-N 3.11Å; Q133-Y136 WeakPolarHBondContact O-CA 3.4Å; Q133-Y136 WeakPolarHBondContact O-CB 3.34Å; Q133-Y136 PolarHBondContact O-N 2.89Å; Q133-T137 PolarHBondContact O-N 2.82Å; Q133-I246 PolarHBondContact NE2-O 3.32Å; Q133-S261 PolarHBondContact NE2-OG 2.85Å; Q133-A262 PolarHBondContact NE2-O 3.32Å; Q133-L263 HydrophobicContact CG-CD2 4.37Å
134	I	97.9	Very high	96.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-57.5	-31.6	-178.2	-169.5	59.8	0	0	0	113.2	V100 C101 T126 Y136 T137 V138 I156 V169	V100-I134 HydrophobicContact CG2-CD1 4.37Å; C101-I134 VanDerWaalsContact SG-CA 3.6Å; T126-I134 HydrophobicContact CG2-CG2 4.48Å; T126-I134 PolarHBondContact O-N 3.27Å; I134-Y136 VanDerWaalsContact C-N 3.28Å; I134-Y136 PolarHBondContact O-N 3.44Å; I134-T137 VanDerWaalsContact O-CB 3.31Å; I134-T137 WeakPolarHBondContact O-CB 3.49Å; I134-T137 PolarHBondContact O-N 3.44Å; I134-T137 VanDerWaalsContact O-N 3.14Å; I134-V138 PolarHBondContact O-N 3.32Å; I134-I156 HydrophobicContact CB-CD1 4.49Å; I134-I156 HydrophobicContact CG1-CD1 3.76Å; I134-I156 HydrophobicContact CG1-CG1 3.88Å; I134-I156 HydrophobicContact CG2-CD1 3.9Å; I134-V169 HydrophobicContact CD1-CG1 4.24Å; I134-V169 HydrophobicContact CD1-CG2 4.16Å; I134-V169 HydrophobicContact CG1-CG2 4.21Å
135	D	97.9	Very high	96.6	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-32.1	175.7	-58.6	-91	0	0	0	112.1	Q133 V138 K139 R159 R196 I247	Q133-D135 PolarHBondContact O-N 3.35Å; Q133-D135 VanDerWaalsContact O-N 3.11Å; D135-V138 PolarHBondContact O-N 2.93Å; D135-K139 WeakPolarHBondContact O-CB 3.39Å; D135-K139 WeakPolarHBondContact O-CG 3.47Å; D135-K139 PolarHBondContact O-N 3.37Å; D135-R159 IonicContact OD1-CZ 2.65Å; D135-R159 IonicContact OD1-NH1 3.53Å; D135-R159 IonicContact OD1-NH2 3.37Å; D135-R159 PolarHBondContact OD1-NH2 3.01Å; D135-R159 IonicContact OD2-CZ 2.6Å; D135-R159 IonicContact OD2-NH1 2.88Å; D135-R159 PolarHBondContact OD2-NH1 2.92Å; D135-R159 IonicContact OD2-NH2 2.86Å; D135-R159 PolarHBondContact OD2-NH2 3.33Å; D135-R196 WeakPolarHBondContact OD1-CD 3.4Å; D135-R196 IonicContact OD1-NH1 3.71Å; D135-I247 HydrophobicContact CB-CD1 3.91Å; D135-I247 HydrophobicContact CB-CG2 3.89Å
136	Y	98.6	Very high	96.6	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-45.2	171.8	-177.7	-81.8	0	0	0	110.2	P132 Q133 I134 V138 K139 V140 F141 I247 A259 D292 F294 L295	P132-Y136 HydrophobicContact CB-CD1 3.92Å; P132-Y136 HydrophobicContact CB-CG 4.25Å; Q133-Y136 WeakPolarHBondContact O-CA 3.4Å; Q133-Y136 WeakPolarHBondContact O-CB 3.34Å; Q133-Y136 PolarHBondContact O-N 2.89Å; I134-Y136 VanDerWaalsContact C-N 3.28Å; I134-Y136 PolarHBondContact O-N 3.44Å; Y136-V138 VanDerWaalsContact C-N 3.33Å; Y136-V138 PolarHBondContact O-N 3.25Å; Y136-K139 PolarHBondContact O-N 3.17Å; Y136-V140 HydrophobicContact CD1-CB 4.31Å; Y136-V140 HydrophobicContact CD2-CB 4.09Å; Y136-V140 HydrophobicContact CD2-CG1 4.34Å; Y136-V140 HydrophobicContact CD2-CG2 4.11Å; Y136-V140 HydrophobicContact CE1-CB 4.26Å; Y136-V140 HydrophobicContact CE1-CG1 4.14Å; Y136-V140 HydrophobicContact CE2-CB 4.06Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 4.3Å; Y136-V140 HydrophobicContact CG-CB 4.22Å; Y136-V140 WeakPolarHBondContact O-CA 3.17Å; Y136-V140 VanDerWaalsContact O-CB 3.3Å; Y136-V140 WeakPolarHBondContact O-CB 3.35Å; Y136-V140 PolarHBondContact O-N 3.05Å; Y136-F141 HydrophobicContact CD1-CB 4.47Å; Y136-F141 HydrophobicContact CE1-CB 4.35Å; Y136-F141 PolarHBondContact O-N 3.41Å; Y136-I247 VanDerWaalsContact N-CD1 3.31Å; Y136-A259 HydrophobicContact CD2-CB 3.53Å; Y136-A259 HydrophobicContact CE2-CB 3.66Å; Y136-D292 WeakPolarHBondContact CE2-OD2 3.48Å; Y136-D292 VanDerWaalsContact OH-CG 3.29Å; Y136-D292 PolarHBondContact OH-OD1 2.88Å; Y136-D292 PolarHBondContact OH-OD2 2.84Å; Y136-F294 HydrophobicContact CE2-CD2 4.43Å; Y136-F294 WeakPolarHBondContact OH-CB 3.42Å; Y136-L295 VanDerWaalsContact OH-CG 3.3Å; Y136-L295 WeakPolarHBondContact OH-CG 3.48Å; Y136-L295 PolarHBondContact OH-N 2.84Å
137	T	98.3	Very high	96.7	Very high	6 Å²	6	37 Å²	37	4%	0.037	19%	0.185	C	C	.	.	I	π-helix	trans	-56.2	-48.2	177.1	-56.2	0	0	0	0	111.4	L104 Q133 I134 F141 K142	L104-T137 HydrophobicContact CD2-CG2 3.56Å; Q133-T137 PolarHBondContact O-N 2.82Å; I134-T137 VanDerWaalsContact O-CB 3.31Å; I134-T137 WeakPolarHBondContact O-CB 3.49Å; I134-T137 PolarHBondContact O-N 3.44Å; I134-T137 VanDerWaalsContact O-N 3.14Å; T137-F141 HydrophobicContact CG2-CD1 4.16Å; T137-K142 WeakPolarHBondContact O-CB 3.47Å; T137-K142 PolarHBondContact O-N 2.96Å
138	V	98.1	Very high	96.8	Very high	39 Å²	39	36.8 Å²	36.8	24%	0.236	19%	0.185	C	C	.	.	I	π-helix	trans	-76	-35.9	-175.3	176.2	0	0	0	0	112.8	I134 D135 Y136 C154 I156	I134-V138 PolarHBondContact O-N 3.32Å; D135-V138 PolarHBondContact O-N 2.93Å; Y136-V138 VanDerWaalsContact C-N 3.33Å; Y136-V138 PolarHBondContact O-N 3.25Å; V138-C154 HydrophobicContact CG2-CB 3.91Å; V138-I156 HydrophobicContact CG2-CD1 4.35Å
139	K	98.3	Very high	97.1	Very high	118 Å²	118	37.4 Å²	37.4	51%	0.513	19%	0.192	S	C	.	.	I	π-helix	trans	-103	-15.3	-170	-59.6	-65.6	-173.7	-177.8	0	114.6	D135 Y136 I249 L257	D135-K139 WeakPolarHBondContact O-CB 3.39Å; D135-K139 WeakPolarHBondContact O-CG 3.47Å; D135-K139 PolarHBondContact O-N 3.37Å; Y136-K139 PolarHBondContact O-N 3.17Å; K139-I249 HydrophobicContact CB-CD1 3.33Å; K139-I249 HydrophobicContact CG-CD1 4.05Å; K139-L257 WeakPolarHBondContact O-CD1 3.18Å
140	V	98.6	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-123.7	-59.1	-178	-180	0	0	0	0	110.5	Y136 P143 I144 I249 L257 A259 L295	Y136-V140 HydrophobicContact CD1-CB 4.31Å; Y136-V140 HydrophobicContact CD2-CB 4.09Å; Y136-V140 HydrophobicContact CD2-CG1 4.34Å; Y136-V140 HydrophobicContact CD2-CG2 4.11Å; Y136-V140 HydrophobicContact CE1-CB 4.26Å; Y136-V140 HydrophobicContact CE1-CG1 4.14Å; Y136-V140 HydrophobicContact CE2-CB 4.06Å; Y136-V140 HydrophobicContact CE2-CG1 3.79Å; Y136-V140 HydrophobicContact CE2-CG2 4.3Å; Y136-V140 HydrophobicContact CG-CB 4.22Å; Y136-V140 WeakPolarHBondContact O-CA 3.17Å; Y136-V140 VanDerWaalsContact O-CB 3.3Å; Y136-V140 WeakPolarHBondContact O-CB 3.35Å; Y136-V140 PolarHBondContact O-N 3.05Å; V140-P143 WeakPolarHBondContact O-CD 3.43Å; V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.42Å; V140-I144 PolarHBondContact O-N 2.99Å; V140-I249 HydrophobicContact CG2-CD1 4.09Å; V140-I249 HydrophobicContact CG2-CG1 4.1Å; V140-I249 HydrophobicContact CG2-CG2 4.17Å; V140-L257 HydrophobicContact CG1-CB 3.99Å; V140-A259 HydrophobicContact CG2-CB 4.15Å; V140-L295 HydrophobicContact CG1-CD1 3.51Å; V140-L295 HydrophobicContact CG1-CG 3.91Å
141	F	98.7	Very high	97.9	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.031	15%	0.15	C	C	.	.	I	π-helix	trans	-65.2	-52.7	-177	173.7	-101.9	0	0	0	112.5	L108 Y136 T137 I144 V145 F152 L295 Q298 F302	L108-F141 HydrophobicContact CD2-CE1 3.67Å; L108-F141 HydrophobicContact CD2-CZ 4.11Å; Y136-F141 HydrophobicContact CD1-CB 4.47Å; Y136-F141 HydrophobicContact CE1-CB 4.35Å; Y136-F141 PolarHBondContact O-N 3.41Å; T137-F141 HydrophobicContact CG2-CD1 4.16Å; F141-I144 PolarHBondContact O-N 3.04Å; F141-I144 VanDerWaalsContact O-N 3.11Å; F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CD2-CG1 3.87Å; F141-V145 HydrophobicContact CE1-CG1 4.12Å; F141-V145 HydrophobicContact CE1-CG2 4.01Å; F141-V145 HydrophobicContact CE2-CG1 3.38Å; F141-V145 HydrophobicContact CG-CG1 4.43Å; F141-V145 HydrophobicContact CZ-CB 4.47Å; F141-V145 HydrophobicContact CZ-CG1 3.53Å; F141-V145 HydrophobicContact CZ-CG2 4.23Å; F141-V145 WeakPolarHBondContact O-CG2 3.33Å; F141-V145 PolarHBondContact O-N 3.12Å; F141-F152 HydrophobicContact CD1-CZ 4.04Å; F141-F152 HydrophobicContact CE1-CE1 4.41Å; F141-F152 HydrophobicContact CE1-CZ 4.07Å; F141-L295 HydrophobicContact CD2-CD2 4.21Å; F141-Q298 HydrophobicContact CD2-CB 4.07Å; F141-Q298 HydrophobicContact CE2-CB 3.98Å; F141-F302 AromaticContact CE2-CE2 3.82Å; F141-F302 HydrophobicContact CE2-CE2 3.82Å; F141-F302 HydrophobicContact CE2-CZ 4.41Å; F141-F302 AromaticContact CZ-CE2 3.66Å; F141-F302 HydrophobicContact CZ-CE2 3.66Å; F141-F302 AromaticContact CZ-CZ 3.79Å; F141-F302 HydrophobicContact CZ-CZ 3.79Å
142	K	98.6	Very high	98.1	Very high	33 Å²	33	28.1 Å²	28.1	14%	0.143	14%	0.143	C	C	.	.	H	α-helix	trans	-52.3	-55.3	-178.5	172.1	174	171.3	170.6	0	112.6	T137 I144 V145 E146 F152 D153	T137-K142 WeakPolarHBondContact O-CB 3.47Å; T137-K142 PolarHBondContact O-N 2.96Å; K142-I144 PolarHBondContact O-N 3.43Å; K142-V145 WeakPolarHBondContact O-CG2 3.47Å; K142-V145 PolarHBondContact O-N 2.81Å; K142-E146 WeakPolarHBondContact CE-OE1 3.27Å; K142-E146 HydrophobicContact CG-CG 4.45Å; K142-E146 IonicContact NZ-OE1 3.65Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 3.39Å; K142-F152 HydrophobicContact CB-CE1 3.75Å; K142-F152 HydrophobicContact CB-CE2 4.35Å; K142-F152 HydrophobicContact CB-CZ 3.49Å; K142-F152 VanDerWaalsContact CB-CZ 3.49Å; K142-F152 HydrophobicContact CD-CE1 4.31Å; K142-F152 HydrophobicContact CD-CE2 4.47Å; K142-F152 HydrophobicContact CD-CZ 4.24Å; K142-F152 WeakPolarHBondContact CD-O 3.23Å; K142-F152 WeakPolarHBondContact CE-O 3.23Å; K142-F152 HydrophobicContact CG-CD1 4.36Å; K142-F152 HydrophobicContact CG-CE1 3.72Å; K142-F152 HydrophobicContact CG-CZ 3.86Å; K142-F152 PolarHBondContact NZ-O 3.25Å; K142-D153 IonicContact NZ-OD1 3.04Å; K142-D153 PolarHBondContact NZ-OD1 3Å
143	P	98.4	Very high	98.3	Very high	43 Å²	43	31.9 Å²	31.9	28%	0.279	16%	0.162	S	C	.	.	H	α-helix	trans	-60.6	-28.3	-179.7	-24.9	34.5	0	0	0	114.3	V140 L257	V140-P143 WeakPolarHBondContact O-CD 3.43Å; P143-L257 HydrophobicContact CB-CD1 3.84Å; P143-L257 HydrophobicContact CG-CD1 4.09Å
144	I	98.5	Very high	98.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-80.3	-42	178.7	-61.3	-53.1	0	0	0	111.2	V140 F141 K142 E146 K147 M184 L257 L295 L299	V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.42Å; V140-I144 PolarHBondContact O-N 2.99Å; F141-I144 PolarHBondContact O-N 3.04Å; F141-I144 VanDerWaalsContact O-N 3.11Å; K142-I144 PolarHBondContact O-N 3.43Å; I144-E146 VanDerWaalsContact C-N 3.27Å; I144-E146 PolarHBondContact O-N 3.01Å; I144-K147 VanDerWaalsContact O-CB 3.29Å; I144-K147 WeakPolarHBondContact O-CB 3.39Å; I144-K147 PolarHBondContact O-N 3.21Å; I144-K147 VanDerWaalsContact O-N 3.13Å; I144-M184 HydrophobicContact CD1-CE 3.84Å; I144-M184 HydrophobicContact CD1-SD 4.42Å; I144-M184 HydrophobicContact CG2-CE 4.37Å; I144-M184 HydrophobicContact CG2-SD 3.88Å; I144-L257 HydrophobicContact CD1-CD1 4.11Å; I144-L257 HydrophobicContact CD1-CG 4.31Å; I144-L257 HydrophobicContact CG1-CD1 4.23Å; I144-L295 HydrophobicContact CB-CD2 4.25Å; I144-L295 HydrophobicContact CG1-CD1 3.89Å; I144-L295 HydrophobicContact CG1-CD2 4.48Å; I144-L295 HydrophobicContact CG2-CD2 4.35Å; I144-L299 HydrophobicContact CG2-CD1 3.83Å; I144-L299 HydrophobicContact CG2-CD2 3.83Å; I144-L299 HydrophobicContact CG2-CG 4.44Å
145	V	98.5	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.8	-23.9	176.5	-61.3	0	0	0	0	112.9	F141 K142 K147 F148 V150 F152 L299 F302	F141-V145 HydrophobicContact CD1-CG2 4.31Å; F141-V145 HydrophobicContact CD2-CG1 3.87Å; F141-V145 HydrophobicContact CE1-CG1 4.12Å; F141-V145 HydrophobicContact CE1-CG2 4.01Å; F141-V145 HydrophobicContact CE2-CG1 3.38Å; F141-V145 HydrophobicContact CG-CG1 4.43Å; F141-V145 HydrophobicContact CZ-CB 4.47Å; F141-V145 HydrophobicContact CZ-CG1 3.53Å; F141-V145 HydrophobicContact CZ-CG2 4.23Å; F141-V145 WeakPolarHBondContact O-CG2 3.33Å; F141-V145 PolarHBondContact O-N 3.12Å; K142-V145 WeakPolarHBondContact O-CG2 3.47Å; K142-V145 PolarHBondContact O-N 2.81Å; V145-K147 PolarHBondContact O-N 3.14Å; V145-F148 WeakPolarHBondContact O-CA 3.25Å; V145-F148 WeakPolarHBondContact O-CB 3.47Å; V145-F148 PolarHBondContact O-N 3.17Å; V145-V150 HydrophobicContact CB-CB 4.14Å; V145-V150 HydrophobicContact CB-CG1 4.48Å; V145-V150 HydrophobicContact CB-CG2 4.19Å; V145-V150 HydrophobicContact CG2-CB 4.11Å; V145-V150 HydrophobicContact CG2-CG1 4.04Å; V145-V150 VanDerWaalsContact O-CB 3.3Å; V145-V150 WeakPolarHBondContact O-CB 3.2Å; V145-V150 WeakPolarHBondContact O-CG2 3.49Å; V145-V150 PolarHBondContact O-N 3.1Å; V145-F152 HydrophobicContact CG2-CE1 3.68Å; V145-L299 HydrophobicContact CG1-CD2 3.89Å; V145-F302 HydrophobicContact CG1-CD2 4.07Å; V145-F302 HydrophobicContact CG1-CE2 3.92Å; V145-F302 HydrophobicContact CG1-CG 4.46Å; V145-F302 HydrophobicContact CG1-CZ 4.18Å
146	E	98.4	Very high	98.3	Very high	75 Å²	75	38 Å²	38	35%	0.35	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-57	-27.9	169	-80.1	171.6	171.8	0	0	112.5	K142 I144 F148 G149 V150	K142-E146 WeakPolarHBondContact CE-OE1 3.27Å; K142-E146 HydrophobicContact CG-CG 4.45Å; K142-E146 IonicContact NZ-OE1 3.65Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 3.39Å; I144-E146 VanDerWaalsContact C-N 3.27Å; I144-E146 PolarHBondContact O-N 3.01Å; E146-F148 PolarHBondContact O-N 2.86Å; E146-G149 WeakPolarHBondContact O-CA 3.49Å; E146-G149 PolarHBondContact O-N 2.96Å; E146-V150 WeakPolarHBondContact CA-O 3.37Å; E146-V150 VanDerWaalsContact CG-O 3.23Å; E146-V150 WeakPolarHBondContact CG-O 3.3Å
147	K	98.3	Very high	98.2	Very high	88 Å²	88	43.4 Å²	43.4	38%	0.383	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-66.5	-20.8	173.3	-57.1	-173.3	-178.6	-170.6	0	113.2	I144 V145 G149 V182 M184 G255	I144-K147 VanDerWaalsContact O-CB 3.29Å; I144-K147 WeakPolarHBondContact O-CB 3.39Å; I144-K147 PolarHBondContact O-N 3.21Å; I144-K147 VanDerWaalsContact O-N 3.13Å; V145-K147 PolarHBondContact O-N 3.14Å; K147-G149 VanDerWaalsContact C-N 3.28Å; K147-V182 HydrophobicContact CB-CG1 3.71Å; K147-M184 HydrophobicContact CD-SD 4.26Å; K147-G255 PolarHBondContact NZ-O 3.01Å
148	F	98.7	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-85.7	2.3	171.4	-65.9	-103.8	0	0	0	112.5	V145 E146 V150 L179 Q180 V182 L299 F302 M303 A306	V145-F148 WeakPolarHBondContact O-CA 3.25Å; V145-F148 WeakPolarHBondContact O-CB 3.47Å; V145-F148 PolarHBondContact O-N 3.17Å; E146-F148 PolarHBondContact O-N 2.86Å; F148-V150 HydrophobicContact CB-CG2 4.2Å; F148-L179 HydrophobicContact CB-CD2 4Å; F148-Q180 WeakPolarHBondContact CA-O 3.06Å; F148-Q180 WeakPolarHBondContact CD1-O 3.49Å; F148-Q180 PolarHBondContact O-N 2.58Å; F148-V182 HydrophobicContact CD1-CG1 4.03Å; F148-V182 HydrophobicContact CD2-CG1 3.5Å; F148-V182 HydrophobicContact CD2-CG2 4.4Å; F148-V182 HydrophobicContact CE1-CB 4.49Å; F148-V182 HydrophobicContact CE1-CG1 4.03Å; F148-V182 HydrophobicContact CE1-CG2 3.83Å; F148-V182 HydrophobicContact CE2-CB 4.17Å; F148-V182 HydrophobicContact CE2-CG1 3.53Å; F148-V182 HydrophobicContact CE2-CG2 3.55Å; F148-V182 HydrophobicContact CG-CG1 3.78Å; F148-V182 HydrophobicContact CZ-CB 4.14Å; F148-V182 HydrophobicContact CZ-CG1 3.82Å; F148-V182 HydrophobicContact CZ-CG2 3.22Å; F148-L299 HydrophobicContact CE2-CD2 3.98Å; F148-F302 HydrophobicContact CD1-CB 3.8Å; F148-F302 HydrophobicContact CD2-CB 4.42Å; F148-F302 HydrophobicContact CE1-CB 3.77Å; F148-F302 HydrophobicContact CE2-CB 4.38Å; F148-F302 HydrophobicContact CG-CB 4.13Å; F148-F302 HydrophobicContact CZ-CB 4.05Å; F148-M303 HydrophobicContact CE1-CG 4.05Å; F148-M303 HydrophobicContact CZ-CG 3.92Å; F148-A306 HydrophobicContact CD1-CB 4.28Å
149	G	98.4	Very high	98.2	Very high	25 Å²	25	44.8 Å²	44.8	26%	0.258	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	10.8	-173.8	0	0	0	0	0	114.2	E146 K147 H151	E146-G149 WeakPolarHBondContact O-CA 3.49Å; E146-G149 PolarHBondContact O-N 2.96Å; K147-G149 VanDerWaalsContact C-N 3.28Å; G149-H151 PolarHBondContact O-CD2 3.33Å
150	V	98.6	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.			trans	-75.2	129.7	178.9	179.9	0	0	0	0	110.2	L112 V145 E146 F148 F152 L176 L179 F302	L112-V150 HydrophobicContact CD1-CB 4.4Å; L112-V150 HydrophobicContact CD1-CG1 3.82Å; L112-V150 HydrophobicContact CD1-CG2 3.75Å; L112-V150 HydrophobicContact CD2-CG1 3.76Å; L112-V150 HydrophobicContact CG-CG1 4.42Å; V145-V150 HydrophobicContact CB-CB 4.14Å; V145-V150 HydrophobicContact CB-CG1 4.48Å; V145-V150 HydrophobicContact CB-CG2 4.19Å; V145-V150 HydrophobicContact CG2-CB 4.11Å; V145-V150 HydrophobicContact CG2-CG1 4.04Å; V145-V150 VanDerWaalsContact O-CB 3.3Å; V145-V150 WeakPolarHBondContact O-CB 3.2Å; V145-V150 WeakPolarHBondContact O-CG2 3.49Å; V145-V150 PolarHBondContact O-N 3.1Å; E146-V150 WeakPolarHBondContact CA-O 3.37Å; E146-V150 VanDerWaalsContact CG-O 3.23Å; E146-V150 WeakPolarHBondContact CG-O 3.3Å; F148-V150 HydrophobicContact CB-CG2 4.2Å; V150-F152 HydrophobicContact CG1-CD1 3.9Å; V150-F152 HydrophobicContact CG1-CE1 4.38Å; V150-L176 HydrophobicContact CG2-CD2 4.14Å; V150-L179 HydrophobicContact CG2-CD2 3.53Å; V150-F302 HydrophobicContact CG2-CD1 4.15Å; V150-F302 HydrophobicContact CG2-CE1 4.11Å
151	H	98.3	Very high	97.9	Very high	108 Å²	108	39.6 Å²	39.6	50%	0.5	20%	0.197	S	C	.	.			trans	-124.7	118.5	173.8	-63	-60.3	0	0	0	110.8	G149 Q174	G149-H151 PolarHBondContact O-CD2 3.33Å; H151-Q174 HydrophobicContact CB-CB 4.14Å; H151-Q174 HydrophobicContact CB-CG 4.21Å; H151-Q174 WeakPolarHBondContact O-CB 3.33Å; H151-Q174 PolarHBondContact O-N 2.96Å
152	F	98.5	Very high	97.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149	173.1	72.5	-74.1	0	0	0	111.6	L104 L108 F141 K142 V145 V150 C154 V171 T172 A173	L104-F152 HydrophobicContact CD2-CE2 4.11Å; L108-F152 HydrophobicContact CD1-CB 4.05Å; L108-F152 HydrophobicContact CD1-CD1 4.28Å; L108-F152 HydrophobicContact CD1-CD2 4.47Å; L108-F152 HydrophobicContact CD1-CG 4.02Å; L108-F152 HydrophobicContact CD2-CD1 4.09Å; L108-F152 HydrophobicContact CD2-CE1 3.93Å; L108-F152 HydrophobicContact CD2-CE2 4.42Å; L108-F152 HydrophobicContact CD2-CG 4.4Å; L108-F152 HydrophobicContact CD2-CZ 4.08Å; F141-F152 HydrophobicContact CD1-CZ 4.04Å; F141-F152 HydrophobicContact CE1-CE1 4.41Å; F141-F152 HydrophobicContact CE1-CZ 4.07Å; K142-F152 HydrophobicContact CB-CE1 3.75Å; K142-F152 HydrophobicContact CB-CE2 4.35Å; K142-F152 HydrophobicContact CB-CZ 3.49Å; K142-F152 VanDerWaalsContact CB-CZ 3.49Å; K142-F152 HydrophobicContact CD-CE1 4.31Å; K142-F152 HydrophobicContact CD-CE2 4.47Å; K142-F152 HydrophobicContact CD-CZ 4.24Å; K142-F152 WeakPolarHBondContact CD-O 3.23Å; K142-F152 WeakPolarHBondContact CE-O 3.23Å; K142-F152 HydrophobicContact CG-CD1 4.36Å; K142-F152 HydrophobicContact CG-CE1 3.72Å; K142-F152 HydrophobicContact CG-CZ 3.86Å; K142-F152 PolarHBondContact NZ-O 3.25Å; V145-F152 HydrophobicContact CG2-CE1 3.68Å; V150-F152 HydrophobicContact CG1-CD1 3.9Å; V150-F152 HydrophobicContact CG1-CE1 4.38Å; F152-C154 VanDerWaalsContact CD2-SG 3.58Å; F152-C154 WeakPolarHBondContact CE2-SG 3.46Å; F152-V171 HydrophobicContact CB-CG1 4.42Å; F152-V171 HydrophobicContact CD2-CG1 3.92Å; F152-T172 CarbonylContact C-O 3.57Å; F152-T172 WeakPolarHBondContact CA-O 3.39Å; F152-T172 WeakPolarHBondContact CB-O 3.38Å; F152-A173 HydrophobicContact CB-CB 4.31Å
153	D	98.2	Very high	97.2	Very high	99 Å²	99	50.1 Å²	50.1	53%	0.529	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.2	174.2	-71.4	-45.8	0	0	0	111.3	K142 V171 T172	K142-D153 IonicContact NZ-OD1 3.04Å; K142-D153 PolarHBondContact NZ-OD1 3Å; D153-V171 CarbonylContact O-C 3.59Å; D153-V171 WeakPolarHBondContact O-CA 3.32Å; D153-V171 WeakPolarHBondContact O-CG1 3.18Å; D153-T172 PolarHBondContact N-O 3.18Å; D153-T172 PolarHBondContact O-N 2.81Å
154	C	97.3	Very high	96.8	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.9	176.5	-69.6	0	0	0	0	109.8	V138 F152 V169	V138-C154 HydrophobicContact CG2-CB 3.91Å; F152-C154 VanDerWaalsContact CD2-SG 3.58Å; F152-C154 WeakPolarHBondContact CE2-SG 3.46Å; C154-V169 HydrophobicContact CB-CG1 4.35Å
155	D	98	Very high	96.5	Very high	83 Å²	83	56 Å²	56	44%	0.444	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	106.2	170.6	174.5	27.6	0	0	0	109.5	R157 V169 A170	D155-R157 PolarHBondContact O-N 3.05Å; D155-R157 VanDerWaalsContact O-N 3.14Å; D155-R157 WeakPolarHBondContact OD2-CG 3.25Å; D155-R157 IonicContact OD2-NE 3.62Å; D155-R157 PolarHBondContact OD2-NE 2.89Å; D155-V169 WeakPolarHBondContact O-CA 3.35Å; D155-A170 HydrophobicContact CB-CB 4.29Å; D155-A170 PolarHBondContact N-O 3.49Å; D155-A170 PolarHBondContact O-N 2.75Å
156	I	97.6	Very high	96.3	Very high	39 Å²	39	58 Å²	58	20%	0.2	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	87.7	177.6	-51	168.8	0	0	0	108	I134 V138 R159	I134-I156 HydrophobicContact CB-CD1 4.49Å; I134-I156 HydrophobicContact CG1-CD1 3.76Å; I134-I156 HydrophobicContact CG1-CG1 3.88Å; I134-I156 HydrophobicContact CG2-CD1 3.9Å; V138-I156 HydrophobicContact CG2-CD1 4.35Å; I156-R159 HydrophobicContact CG2-CG 4Å
157	R	96.9	Very high	96.2	Very high	117 Å²	117	54.5 Å²	54.5	44%	0.442	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-41.1	-177.8	-65.6	178.6	176.3	179.3	0.5	112.3	D155 E168	D155-R157 PolarHBondContact O-N 3.05Å; D155-R157 VanDerWaalsContact O-N 3.14Å; D155-R157 WeakPolarHBondContact OD2-CG 3.25Å; D155-R157 IonicContact OD2-NE 3.62Å; D155-R157 PolarHBondContact OD2-NE 2.89Å; R157-E168 HydrophobicContact CB-CB 4.36Å; R157-E168 HydrophobicContact CB-CG 4.39Å; R157-E168 WeakPolarHBondContact CD-OE1 3.39Å; R157-E168 PolarHBondContact N-O 2.98Å; R157-E168 IonicContact NH1-OE1 3.71Å; R157-E168 PolarHBondContact NH1-OE1 2.77Å
158	M	97.4	Very high	96.2	Very high	62 Å²	62	52.7 Å²	52.7	31%	0.305	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.9	-179.3	-170.4	63.4	64.7	0	0	109.9	G166 G167 E168 A239 C240	M158-G166 VanDerWaalsContact CG-O 3.22Å; M158-G166 WeakPolarHBondContact CG-O 3.19Å; M158-G167 CarbonylContact O-C 3.6Å; M158-G167 WeakPolarHBondContact O-CA 3.34Å; M158-E168 HydrophobicContact CB-CB 3.99Å; M158-E168 PolarHBondContact N-O 2.93Å; M158-E168 VanDerWaalsContact N-O 3.09Å; M158-E168 PolarHBondContact O-N 3.25Å; M158-A239 VanDerWaalsContact SD-CA 3.57Å; M158-A239 PolarHBondContact SD-N 2.96Å; M158-C240 HydrophobicContact CG-CB 4.26Å
159	R	97.3	Very high	96.2	Very high	12 Å²	12	52.8 Å²	52.8	5%	0.045	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	141.2	169.3	-68.1	-174.8	175.1	-91.4	-2.5	110.6	T126 N127 D135 I156 Y161 E235 K238 A239 C240	T126-R159 WeakPolarHBondContact OG1-CA 3.31Å; N127-R159 PolarHBondContact OD1-NH1 3.3Å; D135-R159 IonicContact OD1-CZ 2.65Å; D135-R159 IonicContact OD1-NH1 3.53Å; D135-R159 IonicContact OD1-NH2 3.37Å; D135-R159 PolarHBondContact OD1-NH2 3.01Å; D135-R159 IonicContact OD2-CZ 2.6Å; D135-R159 IonicContact OD2-NH1 2.88Å; D135-R159 PolarHBondContact OD2-NH1 2.92Å; D135-R159 IonicContact OD2-NH2 2.86Å; D135-R159 PolarHBondContact OD2-NH2 3.33Å; I156-R159 HydrophobicContact CG2-CG 4Å; R159-Y161 HydrophobicContact CB-CE2 3.99Å; R159-Y161 WeakPolarHBondContact CD-OH 3.5Å; R159-E235 IonicContact CZ-OE1 3.41Å; R159-E235 IonicContact NE-OE1 2.85Å; R159-E235 PolarHBondContact NE-OE1 3.46Å; R159-E235 VanDerWaalsContact NE-OE1 3.07Å; R159-K238 WeakPolarHBondContact CB-O 3.5Å; R159-K238 PolarHBondContact N-O 3.37Å; R159-A239 HydrophobicContact CB-CB 4.2Å; R159-A239 CarbonylContact O-C 3.6Å; R159-A239 WeakPolarHBondContact O-CA 3.48Å; R159-C240 PolarHBondContact O-N 3.31Å
160	G	96.1	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	-178.1	0	0	0	0	0	112.1	G125 T126 N127 G165	G125-G160 CarbonylContact C-O 3.54Å; G125-G160 WeakPolarHBondContact CA-O 3.34Å; T126-G160 PolarHBondContact N-O 2.85Å; T126-G160 PolarHBondContact OG1-N 3.12Å; T126-G160 PolarHBondContact OG1-O 3.45Å; N127-G160 PolarHBondContact N-O 3.08Å; G160-G165 WeakPolarHBondContact CA-O 3.41Å
161	Y	94.8	Very high	96.2	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.035	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-126.5	154.5	-175.8	-57	-75.4	0	0	0	111.9	N127 R159 K164 G165 F198 A200 A239	N127-Y161 HydrophobicContact CB-CD1 3.85Å; N127-Y161 HydrophobicContact CB-CE1 3.63Å; R159-Y161 HydrophobicContact CB-CE2 3.99Å; R159-Y161 WeakPolarHBondContact CD-OH 3.5Å; Y161-K164 PolarHBondContact O-N 3.06Å; Y161-G165 PolarHBondContact N-O 2.82Å; Y161-G165 WeakPolarHBondContact O-CA 3.1Å; Y161-G165 PolarHBondContact O-N 3.43Å; Y161-F198 HydrophobicContact CE1-CD2 4.3Å; Y161-F198 AromaticContact CE1-CE2 3.47Å; Y161-F198 HydrophobicContact CE1-CE2 3.47Å; Y161-F198 VanDerWaalsContact CE1-CE2 3.47Å; Y161-F198 HydrophobicContact CE1-CZ 4.15Å; Y161-F198 AromaticContact CZ-CE2 3.79Å; Y161-F198 WeakPolarHBondContact OH-CD2 3.47Å; Y161-F198 WeakPolarHBondContact OH-CE2 3.07Å; Y161-A200 HydrophobicContact CD2-CB 4.15Å; Y161-A200 HydrophobicContact CE2-CB 3.41Å; Y161-A200 VanDerWaalsContact CE2-CB 3.41Å; Y161-A239 HydrophobicContact CE2-CB 4.05Å
162	Y	92.3	Very high	96.2	Very high	178 Å²	178	48.7 Å²	48.7	70%	0.698	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	142.2	171.8	-179.6	-86.8	0	0	0	111.1	A97	A97-Y162 HydrophobicContact CB-CD2 4.25Å
163	P	90.2	Very high	96.2	Very high	84 Å²	84	48.5 Å²	48.5	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.5	-21.8	4.2	31.7	-33.7	0	0	0	115.7
164	K	90.1	Very high	96.3	Very high	168 Å²	168	47.9 Å²	47.9	73%	0.73	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.8	-167.6	-64.8	-172.6	177.8	-175.8	0	113.6	T96 Y161 G166	T96-K164 CarbonylContact C-O 3.46Å; Y161-K164 PolarHBondContact O-N 3.06Å; K164-G166 PolarHBondContact O-N 2.88Å
165	G	92.4	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	74.2	-117	-169	0	0	0	0	0	110.1	G124 G160 Y161 G167	G124-G165 CarbonylContact O-C 3.46Å; G160-G165 WeakPolarHBondContact CA-O 3.41Å; Y161-G165 PolarHBondContact N-O 2.82Å; Y161-G165 WeakPolarHBondContact O-CA 3.1Å; Y161-G165 PolarHBondContact O-N 3.43Å; G165-G167 VanDerWaalsContact C-N 3.25Å; G165-G167 PolarHBondContact O-N 2.96Å
166	G	94	Very high	96.3	Very high	42 Å²	42	44.8 Å²	44.8	43%	0.433	22%	0.222	S	C	.	.			trans	76.4	10.5	179.4	0	0	0	0	0	114.6	G124 M158 K164	G124-G166 PolarHBondContact O-N 3.07Å; M158-G166 VanDerWaalsContact CG-O 3.22Å; M158-G166 WeakPolarHBondContact CG-O 3.19Å; K164-G166 PolarHBondContact O-N 2.88Å
167	G	97.3	Very high	96.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.7	169.7	0	0	0	0	0	110.9	K123 G124 M158 G165	K123-G167 CarbonylContact C-O 3.53Å; K123-G167 WeakPolarHBondContact CA-O 3.33Å; G124-G167 PolarHBondContact N-O 3.03Å; G124-G167 WeakPolarHBondContact O-CA 3.39Å; G124-G167 PolarHBondContact O-N 3.14Å; M158-G167 CarbonylContact O-C 3.6Å; M158-G167 WeakPolarHBondContact O-CA 3.34Å; G165-G167 VanDerWaalsContact C-N 3.25Å; G165-G167 PolarHBondContact O-N 2.96Å
168	E	98.1	Very high	96.3	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	120.9	-178.9	-174.9	175.3	116.5	0	0	108.4	L121 L122 K123 R157 M158	L121-E168 HydrophobicContact CD1-CG 3.52Å; L121-E168 HydrophobicContact CG-CG 4.41Å; L122-E168 WeakPolarHBondContact O-CA 3.48Å; K123-E168 WeakPolarHBondContact CE-OE2 3.13Å; K123-E168 HydrophobicContact CG-CG 4.32Å; K123-E168 IonicContact NZ-OE2 3.33Å; K123-E168 PolarHBondContact NZ-OE2 2.86Å; R157-E168 HydrophobicContact CB-CB 4.36Å; R157-E168 HydrophobicContact CB-CG 4.39Å; R157-E168 WeakPolarHBondContact CD-OE1 3.39Å; R157-E168 PolarHBondContact N-O 2.98Å; R157-E168 IonicContact NH1-OE1 3.71Å; R157-E168 PolarHBondContact NH1-OE1 2.77Å; M158-E168 HydrophobicContact CB-CB 3.99Å; M158-E168 PolarHBondContact N-O 2.93Å; M158-E168 VanDerWaalsContact N-O 3.09Å; M158-E168 PolarHBondContact O-N 3.25Å
169	V	98.6	Very high	96.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.4	176.4	-176.7	0	0	0	0	108.2	V100 L122 T126 I134 C154 D155 V171	V100-V169 HydrophobicContact CG2-CG2 3.89Å; L122-V169 PolarHBondContact N-O 3.06Å; L122-V169 PolarHBondContact O-N 2.88Å; T126-V169 HydrophobicContact CG2-CG2 3.86Å; I134-V169 HydrophobicContact CD1-CG1 4.24Å; I134-V169 HydrophobicContact CD1-CG2 4.16Å; I134-V169 HydrophobicContact CG1-CG2 4.21Å; C154-V169 HydrophobicContact CB-CG1 4.35Å; D155-V169 WeakPolarHBondContact O-CA 3.35Å; V169-V171 HydrophobicContact CG1-CG2 3.9Å
170	A	98.6	Very high	96.4	Very high	12 Å²	12	45.2 Å²	45.2	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.1	171.6	0	0	0	0	0	109.1	L120 L121 D155	L120-A170 CarbonylContact O-C 3.55Å; L120-A170 WeakPolarHBondContact O-CA 3.2Å; L121-A170 HydrophobicContact CD1-CB 4.31Å; D155-A170 HydrophobicContact CB-CB 4.29Å; D155-A170 PolarHBondContact N-O 3.49Å; D155-A170 PolarHBondContact O-N 2.75Å
171	V	98.8	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.1	-179	-178.8	0	0	0	0	109.8	L104 Q119 L120 L122 F152 D153 V169	L104-V171 HydrophobicContact CD1-CB 4.41Å; L104-V171 HydrophobicContact CD1-CG1 3.93Å; L104-V171 HydrophobicContact CD1-CG2 4.14Å; Q119-V171 CarbonylContact C-O 3.23Å; Q119-V171 WeakPolarHBondContact CA-O 3.33Å; L120-V171 HydrophobicContact CB-CB 4.19Å; L120-V171 PolarHBondContact N-O 2.91Å; L120-V171 PolarHBondContact O-N 2.85Å; L122-V171 HydrophobicContact CD1-CG2 4.28Å; F152-V171 HydrophobicContact CB-CG1 4.42Å; F152-V171 HydrophobicContact CD2-CG1 3.92Å; D153-V171 CarbonylContact O-C 3.59Å; D153-V171 WeakPolarHBondContact O-CA 3.32Å; D153-V171 WeakPolarHBondContact O-CG1 3.18Å; V169-V171 HydrophobicContact CG1-CG2 3.9Å
172	T	98.8	Very high	96.7	Very high	34 Å²	34	47.4 Å²	47.4	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.8	169.4	-57.5	0	0	0	0	108.2	S118 Q119 F152 D153	S118-T172 WeakPolarHBondContact O-CA 3.41Å; Q119-T172 VanDerWaalsContact CD-OG1 3.25Å; Q119-T172 PolarHBondContact NE2-OG1 3.38Å; Q119-T172 PolarHBondContact OE1-OG1 3.46Å; F152-T172 CarbonylContact C-O 3.57Å; F152-T172 WeakPolarHBondContact CA-O 3.39Å; F152-T172 WeakPolarHBondContact CB-O 3.38Å; D153-T172 PolarHBondContact N-O 3.18Å; D153-T172 PolarHBondContact O-N 2.81Å
173	A	98.5	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.5	176.8	0	0	0	0	0	110.1	L108 A111 A117 S118 F152	L108-A173 HydrophobicContact CD1-CB 3.94Å; A111-A173 HydrophobicContact CB-CB 3.84Å; A117-A173 WeakPolarHBondContact CA-O 3.32Å; S118-A173 PolarHBondContact N-O 3.03Å; S118-A173 PolarHBondContact O-N 2.64Å; F152-A173 HydrophobicContact CB-CB 4.31Å
174	Q	98.5	Very high	97.3	Very high	87 Å²	87	39.3 Å²	39.3	41%	0.407	21%	0.212	S	C	.	.			trans	-86.8	135.8	174.9	-61.1	-61.1	-33.9	0	0	109.7	L112 H151	L112-Q174 VanDerWaalsContact CD2-O 3.31Å; L112-Q174 WeakPolarHBondContact CD2-O 3.22Å; H151-Q174 HydrophobicContact CB-CB 4.14Å; H151-Q174 HydrophobicContact CB-CG 4.21Å; H151-Q174 WeakPolarHBondContact O-CB 3.33Å; H151-Q174 PolarHBondContact O-N 2.96Å
175	P	98.1	Very high	97.6	Very high	27 Å²	27	33.4 Å²	33.4	18%	0.175	19%	0.191	C	C	.	.			trans	-70.9	154.5	174.3	37	-39.6	0	0	0	109	L112 A114 L365	L112-P175 WeakPolarHBondContact O-CA 3.22Å; A114-P175 WeakPolarHBondContact O-CB 3.33Å; P175-L365 HydrophobicContact CB-CD1 4.03Å; P175-L365 HydrophobicContact CB-CD2 4.11Å; P175-L365 HydrophobicContact CB-CG 4.29Å; P175-L365 HydrophobicContact CG-CD1 4.39Å; P175-L365 HydrophobicContact CG-CD2 3.94Å
176	L	97.2	Very high	97.7	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.089	22%	0.217	C	C	.	.			trans	-135.3	150.9	176.4	59.1	91.3	0	0	0	110.4	L112 V150 E178 L179 N362 L365	L112-L176 HydrophobicContact CB-CD2 4.12Å; L112-L176 HydrophobicContact CB-CG 4.25Å; L112-L176 HydrophobicContact CD1-CD2 4.17Å; L112-L176 HydrophobicContact CD2-CD2 4.05Å; L112-L176 HydrophobicContact CG-CD2 4.3Å; L112-L176 PolarHBondContact O-N 3.03Å; V150-L176 HydrophobicContact CG2-CD2 4.14Å; L176-E178 WeakPolarHBondContact CD1-O 3.42Å; L176-L179 HydrophobicContact CD1-CB 4.46Å; L176-L179 HydrophobicContact CD1-CD2 3.84Å; L176-L179 HydrophobicContact CD1-CG 3.81Å; L176-L179 HydrophobicContact CD2-CD2 3.7Å; L176-L179 HydrophobicContact CG-CD2 4.44Å; L176-N362 WeakPolarHBondContact O-CB 2.99Å; L176-N362 PolarHBondContact O-ND2 3.4Å; L176-L365 WeakPolarHBondContact O-CD1 3.22Å
177	K	97.7	Very high	97.7	Very high	100 Å²	100	38.4 Å²	38.4	44%	0.435	20%	0.204	S	C	.	.	S	Bend	trans	-71.4	-42.5	-177.1	-173.2	58	172.4	177.4	0	112.1	V361 N362 L365	K177-V361 HydrophobicContact CD-CG1 3.97Å; K177-V361 HydrophobicContact CG-CG1 4.38Å; K177-V361 CarbonylContact O-C 3.6Å; K177-V361 WeakPolarHBondContact O-CA 3.33Å; K177-N362 PolarHBondContact NZ-O 3.05Å; K177-N362 PolarHBondContact O-N 3.18Å; K177-L365 HydrophobicContact CD-CB 4.19Å; K177-L365 PolarHBondContact NZ-O 2.85Å
178	E	97.4	Very high	97.6	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-158	143.4	178	55.3	-177.5	-146.7	0	0	110	L176 K307	L176-E178 WeakPolarHBondContact CD1-O 3.42Å; E178-K307 VanDerWaalsContact CD-CD 3.43Å; E178-K307 VanDerWaalsContact OE1-CD 3.32Å; E178-K307 WeakPolarHBondContact OE1-CD 3.39Å; E178-K307 IonicContact OE1-NZ 2.87Å; E178-K307 PolarHBondContact OE1-NZ 3.43Å; E178-K307 WeakPolarHBondContact OE2-CD 3.34Å; E178-K307 IonicContact OE2-NZ 2.88Å; E178-K307 PolarHBondContact OE2-NZ 3.32Å
179	L	98.6	Very high	97.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75.8	138.9	175.7	-75.3	169.8	0	0	0	110.6	Y113 F148 V150 L176 F302 L305 A306 K307	Y113-L179 HydrophobicContact CE2-CD1 4.44Å; F148-L179 HydrophobicContact CB-CD2 4Å; V150-L179 HydrophobicContact CG2-CD2 3.53Å; L176-L179 HydrophobicContact CD1-CB 4.46Å; L176-L179 HydrophobicContact CD1-CD2 3.84Å; L176-L179 HydrophobicContact CD1-CG 3.81Å; L176-L179 HydrophobicContact CD2-CD2 3.7Å; L176-L179 HydrophobicContact CG-CD2 4.44Å; L179-F302 HydrophobicContact CD1-CD1 4.13Å; L179-F302 HydrophobicContact CD2-CD1 4.37Å; L179-L305 HydrophobicContact CD1-CB 3.64Å; L179-L305 HydrophobicContact CD1-CD1 4.35Å; L179-A306 HydrophobicContact CB-CB 4.11Å; L179-A306 WeakPolarHBondContact O-CA 3.28Å; L179-K307 PolarHBondContact O-N 3.29Å
180	Q	98.4	Very high	97.4	Very high	87 Å²	87	43.7 Å²	43.7	41%	0.407	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-87.4	143	176.3	-59.6	-55.2	-50.5	0	0	111.1	F148	F148-Q180 WeakPolarHBondContact CA-O 3.06Å; F148-Q180 WeakPolarHBondContact CD1-O 3.49Å; F148-Q180 PolarHBondContact O-N 2.58Å
181	P	98.4	Very high	97.3	Very high	46 Å²	46	46.6 Å²	46.6	30%	0.299	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-74.8	153.9	175.4	33	-32.8	0	0	0	110.3	A306 K307 T309 S310	P181-A306 HydrophobicContact CB-CB 4.46Å; P181-K307 WeakPolarHBondContact CD-O 3.27Å; P181-K307 VanDerWaalsContact CG-O 3.31Å; P181-K307 WeakPolarHBondContact CG-O 3.35Å; P181-T309 WeakPolarHBondContact CB-O 3.42Å; P181-S310 WeakPolarHBondContact CA-OG 3.42Å
182	V	98.4	Very high	97.2	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	27%	0.272	C	S	.	.			trans	-119.4	148.5	178.4	-59.5	0	0	0	0	111.9	K147 F148 S310 R311 I312	K147-V182 HydrophobicContact CB-CG1 3.71Å; F148-V182 HydrophobicContact CD1-CG1 4.03Å; F148-V182 HydrophobicContact CD2-CG1 3.5Å; F148-V182 HydrophobicContact CD2-CG2 4.4Å; F148-V182 HydrophobicContact CE1-CB 4.49Å; F148-V182 HydrophobicContact CE1-CG1 4.03Å; F148-V182 HydrophobicContact CE1-CG2 3.83Å; F148-V182 HydrophobicContact CE2-CB 4.17Å; F148-V182 HydrophobicContact CE2-CG1 3.53Å; F148-V182 HydrophobicContact CE2-CG2 3.55Å; F148-V182 HydrophobicContact CG-CG1 3.78Å; F148-V182 HydrophobicContact CZ-CB 4.14Å; F148-V182 HydrophobicContact CZ-CG1 3.82Å; F148-V182 HydrophobicContact CZ-CG2 3.22Å; V182-S310 PolarHBondContact N-OG 3.1Å; V182-S310 CarbonylContact O-C 3.53Å; V182-S310 WeakPolarHBondContact O-CA 3.11Å; V182-R311 PolarHBondContact O-N 2.85Å; V182-I312 HydrophobicContact CG2-CG2 4.33Å
183	S	98.3	Very high	97.2	Very high	84 Å²	84	49 Å²	49	59%	0.587	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	106.6	168	-170.9	0	0	0	0	109.3	R311	S183-R311 CarbonylContact C-O 3.59Å; S183-R311 WeakPolarHBondContact CA-O 3.26Å
184	M	97.7	Very high	97.2	Very high	9 Å²	9	51 Å²	51	4%	0.044	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	71.9	176.6	-64.4	-178.9	59.9	0	0	108.5	I144 K147 C290 V291 R311 I312 R313	I144-M184 HydrophobicContact CD1-CE 3.84Å; I144-M184 HydrophobicContact CD1-SD 4.42Å; I144-M184 HydrophobicContact CG2-CE 4.37Å; I144-M184 HydrophobicContact CG2-SD 3.88Å; K147-M184 HydrophobicContact CD-SD 4.26Å; M184-C290 HydrophobicContact CB-CB 4.04Å; M184-C290 WeakPolarHBondContact O-CB 3.44Å; M184-C290 PolarHBondContact O-SG 3.47Å; M184-V291 HydrophobicContact CE-CG1 3.87Å; M184-V291 HydrophobicContact SD-CG1 4.44Å; M184-R311 PolarHBondContact N-O 2.89Å; M184-I312 HydrophobicContact CB-CG2 4.32Å; M184-I312 WeakPolarHBondContact O-CA 3Å; M184-R313 PolarHBondContact O-N 3.14Å
185	T	96.3	Very high	97.2	Very high	44 Å²	44	47.6 Å²	47.6	27%	0.27	26%	0.259	S	S	.	.			trans	-109	-17.6	-178.8	56.6	0	0	0	0	113	R311 R313 I352	T185-R311 HydrophobicContact CG2-CB 3.81Å; T185-R313 PolarHBondContact O-NE 3.35Å; T185-R313 VanDerWaalsContact O-NE 3.12Å; T185-R313 PolarHBondContact O-NH1 2.88Å; T185-R313 PolarHBondContact O-NH2 3.27Å; T185-I352 HydrophobicContact CG2-CD1 4.14Å
186	D	94.9	Very high	97.2	Very high	104 Å²	104	48.3 Å²	48.3	56%	0.556	26%	0.258	S	S	*	.			trans	-105.6	118.1	173.1	-178.4	15.4	0	0	0	111.2	G188 T254	D186-G188 PolarHBondContact OD1-N 2.97Å; D186-T254 HydrophobicContact CB-CG2 4.44Å; D186-T254 WeakPolarHBondContact O-CB 3.38Å; D186-T254 PolarHBondContact O-OG1 2.94Å
187	R	94.1	Very high	97.3	Very high	42 Å²	42	47.5 Å²	47.5	16%	0.158	25%	0.254	C	S	.	.			trans	-79.3	-33.1	179.5	-171.6	-169.3	73.5	161	-7.8	111.6	S252 T254 F258 I285 N288 G289 C290	R187-S252 WeakPolarHBondContact O-CB 3.41Å; R187-S252 PolarHBondContact O-OG 3.4Å; R187-T254 PolarHBondContact O-OG1 2.84Å; R187-F258 HydrophobicContact CG-CE2 4.31Å; R187-F258 HydrophobicContact CG-CZ 3.92Å; R187-I285 PolarHBondContact NH1-O 3.46Å; R187-N288 PolarHBondContact NE-OD1 2.92Å; R187-N288 VanDerWaalsContact NE-OD1 3.16Å; R187-N288 PolarHBondContact NH1-OD1 2.95Å; R187-N288 PolarHBondContact NH2-OD1 3.44Å; R187-N288 VanDerWaalsContact NH2-OD1 3.1Å; R187-G289 WeakPolarHBondContact CD-O 3.38Å; R187-G289 VanDerWaalsContact CG-O 3.24Å; R187-G289 WeakPolarHBondContact CG-O 3.14Å; R187-C290 PolarHBondContact N-SG 3.47Å
188	G	94.8	Very high	97.3	Very high	19 Å²	19	42.8 Å²	42.8	20%	0.196	23%	0.233	C	C	.	.			trans	55.4	-153.5	-163.6	0	0	0	0	0	113.9	D186 S253	D186-G188 PolarHBondContact OD1-N 2.97Å; G188-S253 WeakPolarHBondContact CA-OG 3.26Å
189	N	95.1	Very high	97.3	Very high	116 Å²	116	40.3 Å²	40.3	62%	0.62	22%	0.222	S	C	*	.			trans	-101.5	147.8	-177.5	-67.3	-46.2	0	0	0	111.3	T191 S252 S253	N189-T191 PolarHBondContact O-N 3.3Å; N189-S252 CarbonylContact O-C 3.41Å; N189-S252 WeakPolarHBondContact O-CA 3.33Å; N189-S252 WeakPolarHBondContact O-CB 3.43Å; N189-S253 PolarHBondContact N-OG 2.65Å; N189-S253 VanDerWaalsContact N-OG 3.1Å; N189-S253 PolarHBondContact O-N 3.46Å
190	I	96.8	Very high	97.2	Very high	29 Å²	29	40.3 Å²	40.3	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.6	171.2	-54.9	-57.1	0	0	0	109	I193 L226 A250 E251 F258 I285	I190-I193 HydrophobicContact CG2-CG1 4.18Å; I190-L226 HydrophobicContact CB-CD2 4.48Å; I190-L226 HydrophobicContact CG2-CD2 3.68Å; I190-A250 HydrophobicContact CD1-CB 4.44Å; I190-A250 HydrophobicContact CG2-CB 3.93Å; I190-E251 WeakPolarHBondContact CA-O 3.15Å; I190-F258 HydrophobicContact CD1-CD2 3.98Å; I190-F258 HydrophobicContact CD1-CE2 3.88Å; I190-I285 HydrophobicContact CD1-CG1 4.37Å; I190-I285 HydrophobicContact CD1-CG2 4.48Å; I190-I285 HydrophobicContact CG1-CD1 4.47Å; I190-I285 HydrophobicContact CG1-CG1 4.45Å; I190-I285 HydrophobicContact CG1-CG2 3.98Å
191	T	96.9	Very high	96.9	Very high	73 Å²	73	38 Å²	38	45%	0.448	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-19	-174.1	55.4	0	0	0	0	113.3	N189 L226 E251	N189-T191 PolarHBondContact O-N 3.3Å; T191-L226 VanDerWaalsContact O-CD1 3.27Å; T191-L226 WeakPolarHBondContact O-CD1 3.48Å; T191-E251 PolarHBondContact N-O 3.35Å; T191-E251 PolarHBondContact OG1-O 2.97Å
192	K	96.6	Very high	96.6	Very high	84 Å²	84	41.7 Å²	41.7	37%	0.365	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	140.9	-177.3	-178.1	171.9	162.8	-139.5	0	111.6	A250 E251	K192-A250 CarbonylContact O-C 3.59Å; K192-A250 WeakPolarHBondContact O-CA 3.33Å; K192-E251 HydrophobicContact CB-CB 4.35Å; K192-E251 WeakPolarHBondContact CD-OE1 3.36Å; K192-E251 WeakPolarHBondContact CE-OE1 3.35Å; K192-E251 PolarHBondContact N-O 2.74Å; K192-E251 IonicContact NZ-OE1 3.49Å; K192-E251 PolarHBondContact NZ-OE1 2.72Å; K192-E251 PolarHBondContact O-N 2.83Å
193	I	98.6	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.6	168.3	-62.9	172.6	0	0	0	108.7	I190 I219 I223 L226 Y227 I228 N229 I248 I249 A250 L281	I190-I193 HydrophobicContact CG2-CG1 4.18Å; I193-I219 HydrophobicContact CD1-CG2 3.79Å; I193-I219 HydrophobicContact CG2-CD1 4.26Å; I193-I223 HydrophobicContact CD1-CD1 3.71Å; I193-I223 HydrophobicContact CD1-CG2 4.45Å; I193-L226 HydrophobicContact CD1-CD2 3.87Å; I193-L226 HydrophobicContact CG1-CD2 3.74Å; I193-Y227 PolarHBondContact N-O 2.89Å; I193-I228 HydrophobicContact CB-CG1 4.19Å; I193-I228 HydrophobicContact CB-CG2 4.4Å; I193-I228 HydrophobicContact CG2-CG2 4.01Å; I193-I228 VanDerWaalsContact O-CA 3.32Å; I193-I228 WeakPolarHBondContact O-CA 3.23Å; I193-N229 PolarHBondContact O-N 3.11Å; I193-I248 HydrophobicContact CG2-CG2 3.58Å; I193-I249 CarbonylContact C-O 3.51Å; I193-I249 WeakPolarHBondContact CA-O 3.48Å; I193-A250 HydrophobicContact CG1-CB 3.97Å; I193-L281 HydrophobicContact CG2-CD2 4.05Å
194	H	98.6	Very high	96.3	Very high	44 Å²	44	42.9 Å²	42.9	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	168.1	179.8	66.3	-79.8	0	0	0	110.6	N229 I249 E251	H194-N229 CarbonylContact C-O 3.59Å; H194-N229 WeakPolarHBondContact CA-O 3.35Å; H194-I249 PolarHBondContact N-O 3.19Å; H194-I249 PolarHBondContact O-N 2.9Å; H194-I249 VanDerWaalsContact O-O 3.11Å; H194-E251 IonicContact CE1-OE1 3.85Å; H194-E251 PolarHBondContact CE1-OE1 3.21Å; H194-E251 IonicContact ND1-OE1 3.71Å; H194-E251 PolarHBondContact ND1-OE1 3.06Å; H194-E251 IonicContact NE2-OE1 2.79Å
195	G	98.4	Very high	96.3	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-170.4	179.9	0	0	0	0	0	112.9	N229 I230 Q231 I247	G195-N229 PolarHBondContact N-O 3.27Å; G195-I230 WeakPolarHBondContact O-CA 3.3Å; G195-Q231 PolarHBondContact O-N 2.79Å; G195-I247 CarbonylContact C-O 3.56Å; G195-I247 WeakPolarHBondContact CA-O 3.46Å
196	R	98.3	Very high	96.4	Very high	43 Å²	43	50 Å²	50	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.9	175	55.6	173.5	-75.9	170.5	-3.6	110.9	D135 Q231 V233 E235 I246 I247	D135-R196 WeakPolarHBondContact OD1-CD 3.4Å; D135-R196 IonicContact OD1-NH1 3.71Å; R196-Q231 CarbonylContact C-O 3.56Å; R196-Q231 VanDerWaalsContact CA-O 3.25Å; R196-Q231 WeakPolarHBondContact CA-O 3.29Å; R196-V233 HydrophobicContact CB-CG2 4.47Å; R196-V233 VanDerWaalsContact NH2-CG2 3.25Å; R196-E235 IonicContact CZ-OE1 3.09Å; R196-E235 VanDerWaalsContact CZ-OE1 3.27Å; R196-E235 IonicContact NH1-OE1 2.76Å; R196-E235 PolarHBondContact NH1-OE1 3.11Å; R196-E235 IonicContact NH2-OE1 3.78Å; R196-E235 PolarHBondContact NH2-OE1 3.37Å; R196-I246 WeakPolarHBondContact O-CA 3.3Å; R196-I247 HydrophobicContact CG-CG2 3.66Å; R196-I247 PolarHBondContact N-O 3.38Å; R196-I247 PolarHBondContact O-N 2.87Å
197	A	98.6	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.5	165.8	0	0	0	0	0	107.4	A208 M211 I230 Q231 P232 V233 G245 I246	A197-A208 HydrophobicContact CB-CB 4.38Å; A197-A208 VanDerWaalsContact CB-O 3.23Å; A197-A208 WeakPolarHBondContact CB-O 3.35Å; A197-A208 WeakPolarHBondContact O-CB 3.19Å; A197-M211 HydrophobicContact CB-CB 4.05Å; A197-M211 HydrophobicContact CB-CE 4.43Å; A197-I230 HydrophobicContact CB-CG2 4.28Å; A197-Q231 PolarHBondContact N-O 2.94Å; A197-P232 CarbonylContact O-C 3.4Å; A197-P232 VanDerWaalsContact O-CA 3.27Å; A197-P232 WeakPolarHBondContact O-CA 3.26Å; A197-V233 PolarHBondContact O-N 2.87Å; A197-G245 CarbonylContact C-O 3.59Å; A197-G245 WeakPolarHBondContact CA-O 3.11Å; A197-I246 HydrophobicContact CB-CB 4.18Å; A197-I246 HydrophobicContact CB-CD1 4.16Å; A197-I246 HydrophobicContact CB-CG1 4.06Å
198	F	97.9	Very high	96.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.5	-169.5	64	-94.1	0	0	0	112.4	N127 Y161 M211 V233 N244 G245 L263	N127-F198 HydrophobicContact CB-CZ 4.44Å; N127-F198 WeakPolarHBondContact ND2-CZ 3.28Å; Y161-F198 HydrophobicContact CE1-CD2 4.3Å; Y161-F198 AromaticContact CE1-CE2 3.47Å; Y161-F198 HydrophobicContact CE1-CE2 3.47Å; Y161-F198 VanDerWaalsContact CE1-CE2 3.47Å; Y161-F198 HydrophobicContact CE1-CZ 4.15Å; Y161-F198 AromaticContact CZ-CE2 3.79Å; Y161-F198 WeakPolarHBondContact OH-CD2 3.47Å; Y161-F198 WeakPolarHBondContact OH-CE2 3.07Å; F198-M211 WeakPolarHBondContact O-CE 3.44Å; F198-V233 WeakPolarHBondContact CA-O 3.47Å; F198-V233 HydrophobicContact CB-CG2 3.52Å; F198-N244 WeakPolarHBondContact O-CA 3.37Å; F198-N244 VanDerWaalsContact O-CB 3.3Å; F198-N244 WeakPolarHBondContact O-CB 3.3Å; F198-G245 WeakPolarHBondContact CD1-O 3.24Å; F198-G245 VanDerWaalsContact CE1-C 3.47Å; F198-G245 PolarHBondContact N-O 2.99Å; F198-G245 PolarHBondContact O-N 2.94Å; F198-L263 HydrophobicContact CZ-CD2 3.86Å
199	V	97.6	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.2	163.6	-68.9	0	0	0	0	109.3	L203 F205 L207 A208 V233 Q234 E235 G243 N244	V199-L203 HydrophobicContact CB-CB 4.1Å; V199-L203 HydrophobicContact CG1-CB 4.3Å; V199-F205 HydrophobicContact CG2-CD2 4.22Å; V199-L207 HydrophobicContact CG1-CB 3.82Å; V199-A208 HydrophobicContact CG1-CB 4.08Å; V199-A208 HydrophobicContact CG2-CB 4.38Å; V199-V233 PolarHBondContact N-O 3.32Å; V199-Q234 HydrophobicContact CG2-CB 4.15Å; V199-Q234 HydrophobicContact CG2-CG 4.03Å; V199-Q234 WeakPolarHBondContact O-CA 3.47Å; V199-E235 PolarHBondContact O-N 2.84Å; V199-G243 CarbonylContact C-O 3.49Å; V199-G243 WeakPolarHBondContact CA-O 3.38Å; V199-N244 HydrophobicContact CB-CB 4.43Å; V199-N244 HydrophobicContact CG1-CB 3.76Å
200	A	95.8	Very high	97.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.4	179	0	0	0	0	0	110.7	Y161 E235 A239 G243	Y161-A200 HydrophobicContact CD2-CB 4.15Å; Y161-A200 HydrophobicContact CE2-CB 3.41Å; Y161-A200 VanDerWaalsContact CE2-CB 3.41Å; A200-E235 HydrophobicContact CB-CB 4.02Å; A200-A239 HydrophobicContact CB-CB 3.7Å; A200-G243 PolarHBondContact N-O 2.75Å; A200-G243 PolarHBondContact O-N 2.83Å
201	G	92.4	Very high	97.1	Very high	38 Å²	38	44.7 Å²	44.7	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-134.3	-179.9	0	0	0	0	0	112.1	L203 N242	G201-L203 PolarHBondContact O-N 2.75Å; G201-N242 WeakPolarHBondContact CA-OD1 3.46Å
202	V	92.9	Very high	97.2	Very high	123 Å²	123	41.9 Å²	41.9	75%	0.745	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	3.4	-174.5	-52.4	0	0	0	0	114	N242	V202-N242 PolarHBondContact N-OD1 3.48Å
203	L	94.4	Very high	97.3	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.209	22%	0.22	C	C	.	.			trans	-73.6	135.1	-174.4	-66.3	-175.8	0	0	0	112	V199 G201 F205 L207 N242 N244	V199-L203 HydrophobicContact CB-CB 4.1Å; V199-L203 HydrophobicContact CG1-CB 4.3Å; G201-L203 PolarHBondContact O-N 2.75Å; L203-F205 PolarHBondContact O-N 3.04Å; L203-L207 HydrophobicContact CB-CD1 4.27Å; L203-L207 HydrophobicContact CD2-CD1 4.47Å; L203-N242 HydrophobicContact CD1-CB 4.42Å; L203-N242 HydrophobicContact CG-CB 4.22Å; L203-N244 HydrophobicContact CD1-CB 3.84Å
204	P	95.6	Very high	97.3	Very high	77 Å²	77	39.8 Å²	39.8	50%	0.5	22%	0.22	S	C	.	.			trans	-63.2	135.5	-178.7	-22.8	32.6	0	0	0	113	K206 L207	P204-K206 PolarHBondContact O-N 3.15Å; P204-L207 WeakPolarHBondContact O-CB 3.43Å; P204-L207 PolarHBondContact O-N 3.34Å
205	F	97.5	Very high	97.3	Very high	72 Å²	72	37.7 Å²	37.7	32%	0.316	21%	0.211	S	C	.	.	H	α-helix	trans	-56.8	-25.6	176.5	-174.9	-127.8	0	0	0	113.7	V199 L203 L207 A208 K209 P232 Q234	V199-F205 HydrophobicContact CG2-CD2 4.22Å; L203-F205 PolarHBondContact O-N 3.04Å; F205-L207 PolarHBondContact O-N 2.64Å; F205-A208 HydrophobicContact CD2-CB 4.29Å; F205-A208 HydrophobicContact CE2-CB 4.37Å; F205-A208 PolarHBondContact O-N 3.07Å; F205-A208 VanDerWaalsContact O-N 3.13Å; F205-K209 HydrophobicContact CD1-CD 4.49Å; F205-K209 HydrophobicContact CE1-CD 4.38Å; F205-K209 HydrophobicContact CE1-CG 4.35Å; F205-K209 PolarHBondContact O-N 3.43Å; F205-P232 HydrophobicContact CE2-CB 3.94Å; F205-P232 HydrophobicContact CZ-CB 3.88Å; F205-Q234 HydrophobicContact CD2-CB 3.9Å; F205-Q234 HydrophobicContact CE2-CB 4.33Å
206	K	97.8	Very high	97.4	Very high	131 Å²	131	39 Å²	39	57%	0.57	22%	0.216	S	C	*	.	H	α-helix	trans	-55	-35	174	177.4	164.8	170.4	51.4	0	112.8	P204 A208 K209 D210	P204-K206 PolarHBondContact O-N 3.15Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 3.36Å; K206-K209 WeakPolarHBondContact O-CB 3.48Å; K206-K209 PolarHBondContact O-N 3.19Å; K206-K209 VanDerWaalsContact O-N 3.13Å; K206-D210 WeakPolarHBondContact CE-OD2 3.18Å; K206-D210 VanDerWaalsContact CG-OD2 3.29Å; K206-D210 WeakPolarHBondContact CG-OD2 3.49Å; K206-D210 IonicContact NZ-OD1 3.07Å; K206-D210 PolarHBondContact NZ-OD1 2.91Å; K206-D210 IonicContact NZ-OD2 2.64Å; K206-D210 PolarHBondContact NZ-OD2 2.81Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.38Å
207	L	97.9	Very high	97.4	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-39.2	178.6	-58.7	175.7	0	0	0	112.1	V199 L203 P204 F205 D210 M211 A270	V199-L207 HydrophobicContact CG1-CB 3.82Å; L203-L207 HydrophobicContact CB-CD1 4.27Å; L203-L207 HydrophobicContact CD2-CD1 4.47Å; P204-L207 WeakPolarHBondContact O-CB 3.43Å; P204-L207 PolarHBondContact O-N 3.34Å; F205-L207 PolarHBondContact O-N 2.64Å; L207-D210 PolarHBondContact O-N 3.17Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 WeakPolarHBondContact O-CG 3.49Å; L207-M211 PolarHBondContact O-N 3.12Å; L207-A270 HydrophobicContact CB-CB 4.25Å; L207-A270 HydrophobicContact CD2-CB 3.95Å
208	A	98.4	Very high	97.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-39.9	175.6	0	0	0	0	0	112	A197 V199 F205 K206 S212 P232	A197-A208 HydrophobicContact CB-CB 4.38Å; A197-A208 VanDerWaalsContact CB-O 3.23Å; A197-A208 WeakPolarHBondContact CB-O 3.35Å; A197-A208 WeakPolarHBondContact O-CB 3.19Å; V199-A208 HydrophobicContact CG1-CB 4.08Å; V199-A208 HydrophobicContact CG2-CB 4.38Å; F205-A208 HydrophobicContact CD2-CB 4.29Å; F205-A208 HydrophobicContact CE2-CB 4.37Å; F205-A208 PolarHBondContact O-N 3.07Å; F205-A208 VanDerWaalsContact O-N 3.13Å; K206-A208 VanDerWaalsContact C-N 3.31Å; K206-A208 PolarHBondContact O-N 3.36Å; A208-S212 WeakPolarHBondContact O-CB 3.45Å; A208-S212 PolarHBondContact O-N 2.86Å; A208-P232 HydrophobicContact CB-CB 3.93Å
209	K	98.6	Very high	97.4	Very high	114 Å²	114	43.7 Å²	43.7	50%	0.496	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-44.8	175.9	-64.7	-173.5	178.7	-176.1	0	111.6	F205 K206 S212 A213 P232	F205-K209 HydrophobicContact CD1-CD 4.49Å; F205-K209 HydrophobicContact CE1-CD 4.38Å; F205-K209 HydrophobicContact CE1-CG 4.35Å; F205-K209 PolarHBondContact O-N 3.43Å; K206-K209 WeakPolarHBondContact O-CB 3.48Å; K206-K209 PolarHBondContact O-N 3.19Å; K206-K209 VanDerWaalsContact O-N 3.13Å; K209-S212 PolarHBondContact O-N 3.27Å; K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 2.63Å; K209-P232 HydrophobicContact CG-CB 4.05Å; K209-P232 HydrophobicContact CG-CG 4.16Å
210	D	98.6	Very high	97.4	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.203	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-44.5	-178.9	-68.9	-8	0	0	0	110.9	K206 L207 S212 A213 A214 A270	K206-D210 WeakPolarHBondContact CE-OD2 3.18Å; K206-D210 VanDerWaalsContact CG-OD2 3.29Å; K206-D210 WeakPolarHBondContact CG-OD2 3.49Å; K206-D210 IonicContact NZ-OD1 3.07Å; K206-D210 PolarHBondContact NZ-OD1 2.91Å; K206-D210 IonicContact NZ-OD2 2.64Å; K206-D210 PolarHBondContact NZ-OD2 2.81Å; K206-D210 WeakPolarHBondContact O-CB 3.45Å; K206-D210 PolarHBondContact O-N 3.38Å; L207-D210 PolarHBondContact O-N 3.17Å; D210-S212 PolarHBondContact O-N 3.31Å; D210-A213 PolarHBondContact O-N 2.81Å; D210-A214 VanDerWaalsContact O-CB 3.31Å; D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.41Å; D210-A270 HydrophobicContact CB-CB 3.86Å
211	M	98.8	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.6	-50.5	171.3	-78.9	-173.2	-67.6	0	0	112.5	A197 F198 L207 A214 A215 N244 G245 I246 A270 V273 G274	A197-M211 HydrophobicContact CB-CB 4.05Å; A197-M211 HydrophobicContact CB-CE 4.43Å; F198-M211 WeakPolarHBondContact O-CE 3.44Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 WeakPolarHBondContact O-CG 3.49Å; L207-M211 PolarHBondContact O-N 3.12Å; M211-A214 PolarHBondContact O-N 3.32Å; M211-A215 WeakPolarHBondContact O-CB 3.43Å; M211-A215 PolarHBondContact O-N 3.46Å; M211-N244 HydrophobicContact CE-CB 4.01Å; M211-G245 VanDerWaalsContact CE-O 3.29Å; M211-G245 WeakPolarHBondContact CE-O 3.5Å; M211-I246 HydrophobicContact CB-CD1 4.41Å; M211-I246 HydrophobicContact SD-CB 4.32Å; M211-I246 HydrophobicContact SD-CG2 4.34Å; M211-A270 HydrophobicContact CG-CB 3.99Å; M211-A270 WeakPolarHBondContact CG-O 3.32Å; M211-V273 HydrophobicContact CG-CB 4.07Å; M211-V273 HydrophobicContact CG-CG1 4.32Å; M211-V273 HydrophobicContact SD-CB 3.93Å; M211-V273 HydrophobicContact SD-CG1 3.59Å; M211-V273 VanDerWaalsContact SD-CG1 3.59Å; M211-G274 WeakPolarHBondContact O-CA 3.39Å
212	S	98.8	Very high	97.5	Very high	13 Å²	13	57.8 Å²	57.8	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-48.8	-180	170.7	0	0	0	0	111.4	A208 K209 D210 A214 A215 V216 I230	A208-S212 WeakPolarHBondContact O-CB 3.45Å; A208-S212 PolarHBondContact O-N 2.86Å; K209-S212 PolarHBondContact O-N 3.27Å; D210-S212 PolarHBondContact O-N 3.31Å; S212-A214 PolarHBondContact O-N 3.27Å; S212-A215 PolarHBondContact O-N 3.4Å; S212-V216 WeakPolarHBondContact O-CG2 3.45Å; S212-V216 PolarHBondContact O-N 3.34Å; S212-I230 PolarHBondContact OG-O 3.2Å
213	A	98.6	Very high	97.7	Very high	40 Å²	40	53.4 Å²	53.4	33%	0.331	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-43.6	-179.9	0	0	0	0	0	112.1	K209 D210 V216 R217	K209-A213 WeakPolarHBondContact O-CB 3.46Å; K209-A213 PolarHBondContact O-N 2.63Å; D210-A213 PolarHBondContact O-N 2.81Å; A213-V216 PolarHBondContact O-N 2.94Å; A213-R217 WeakPolarHBondContact O-CG 3.41Å; A213-R217 PolarHBondContact O-N 2.94Å
214	A	98.7	Very high	97.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.2	0	0	0	0	0	112.2	D210 M211 S212 R217 T218 D271 I275	D210-A214 VanDerWaalsContact O-CB 3.31Å; D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.41Å; M211-A214 PolarHBondContact O-N 3.32Å; S212-A214 PolarHBondContact O-N 3.27Å; A214-R217 PolarHBondContact O-N 2.78Å; A214-T218 PolarHBondContact O-N 3.45Å; A214-T218 PolarHBondContact O-OG1 2.69Å; A214-T218 VanDerWaalsContact O-OG1 3.1Å; A214-D271 HydrophobicContact CB-CB 3.91Å; A214-D271 WeakPolarHBondContact CB-O 3.39Å; A214-I275 HydrophobicContact CB-CG1 4.29Å
215	A	98.8	Very high	97.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-47.6	175.9	0	0	0	0	0	112.4	M211 S212 R217 T218 I219 I230 I246 I248 G274 A278	M211-A215 WeakPolarHBondContact O-CB 3.43Å; M211-A215 PolarHBondContact O-N 3.46Å; S212-A215 PolarHBondContact O-N 3.4Å; A215-R217 PolarHBondContact O-N 3Å; A215-T218 PolarHBondContact O-N 2.77Å; A215-I219 WeakPolarHBondContact O-CG1 3.21Å; A215-I219 PolarHBondContact O-N 3.47Å; A215-I230 HydrophobicContact CB-CD1 3.79Å; A215-I246 HydrophobicContact CB-CD1 3.61Å; A215-I248 HydrophobicContact CB-CD1 3.61Å; A215-G274 WeakPolarHBondContact CB-O 3.42Å; A215-A278 HydrophobicContact CB-CB 4.18Å
216	V	98.6	Very high	97.1	Very high	41 Å²	41	61.6 Å²	61.6	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-47	176.9	173.8	0	0	0	0	110.8	S212 A213 T218 I219 R220 I228 I230	S212-V216 WeakPolarHBondContact O-CG2 3.45Å; S212-V216 PolarHBondContact O-N 3.34Å; A213-V216 PolarHBondContact O-N 2.94Å; V216-T218 VanDerWaalsContact C-N 3.28Å; V216-T218 PolarHBondContact O-N 3.3Å; V216-I219 PolarHBondContact O-N 2.89Å; V216-R220 HydrophobicContact CG1-CG 4.23Å; V216-R220 WeakPolarHBondContact O-CB 3.33Å; V216-R220 VanDerWaalsContact O-CG 3.22Å; V216-R220 WeakPolarHBondContact O-CG 3.42Å; V216-R220 PolarHBondContact O-N 2.94Å; V216-I228 HydrophobicContact CG2-CG2 3.94Å; V216-I230 HydrophobicContact CG2-CD1 4.05Å
217	R	98.3	Very high	96.8	Very high	136 Å²	136	62.7 Å²	62.7	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-58.6	-40	177.6	-73.2	-169.8	-51.3	-97.1	6.7	112.1	A213 A214 A215 D271	A213-R217 WeakPolarHBondContact O-CG 3.41Å; A213-R217 PolarHBondContact O-N 2.94Å; A214-R217 PolarHBondContact O-N 2.78Å; A215-R217 PolarHBondContact O-N 3Å; R217-D271 IonicContact NH2-OD2 3.9Å; R217-D271 PolarHBondContact NH2-OD2 2.79Å
218	T	98.6	Very high	96.7	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-48.2	178.5	-63.3	0	0	0	0	111.8	A214 A215 V216 R220 K221 A278 E279 L282	A214-T218 PolarHBondContact O-N 3.45Å; A214-T218 PolarHBondContact O-OG1 2.69Å; A214-T218 VanDerWaalsContact O-OG1 3.1Å; A215-T218 PolarHBondContact O-N 2.77Å; V216-T218 VanDerWaalsContact C-N 3.28Å; V216-T218 PolarHBondContact O-N 3.3Å; T218-R220 VanDerWaalsContact C-N 3.27Å; T218-R220 PolarHBondContact O-N 2.93Å; T218-K221 WeakPolarHBondContact O-CB 3.23Å; T218-K221 WeakPolarHBondContact O-CG 3.17Å; T218-K221 PolarHBondContact O-N 3.42Å; T218-K221 VanDerWaalsContact O-N 3.15Å; T218-A278 HydrophobicContact CG2-CB 3.67Å; T218-E279 HydrophobicContact CG2-CG 4.16Å; T218-E279 VanDerWaalsContact CG2-OE1 3.27Å; T218-E279 WeakPolarHBondContact CG2-OE1 3.41Å; T218-L282 HydrophobicContact CG2-CD1 4.31Å
219	I	98.4	Very high	96.7	Very high	0 Å²	0	64 Å²	64	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-38.6	179.1	-64.4	164.7	0	0	0	111.1	I193 A215 V216 K221 E222 I223 I228 I230 I248 A278 L281	I193-I219 HydrophobicContact CD1-CG2 3.79Å; I193-I219 HydrophobicContact CG2-CD1 4.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.21Å; A215-I219 PolarHBondContact O-N 3.47Å; V216-I219 PolarHBondContact O-N 2.89Å; I219-K221 PolarHBondContact O-N 2.85Å; I219-K221 VanDerWaalsContact O-N 3.13Å; I219-E222 PolarHBondContact O-N 3.17Å; I219-E222 VanDerWaalsContact O-N 3.08Å; I219-I223 HydrophobicContact CG2-CB 4.09Å; I219-I223 HydrophobicContact CG2-CD1 4.24Å; I219-I223 HydrophobicContact CG2-CG1 4.46Å; I219-I223 PolarHBondContact O-N 2.9Å; I219-I228 HydrophobicContact CB-CD1 3.96Å; I219-I228 HydrophobicContact CG2-CD1 3.47Å; I219-I228 VanDerWaalsContact CG2-CD1 3.47Å; I219-I230 HydrophobicContact CD1-CD1 4.32Å; I219-I248 HydrophobicContact CD1-CD1 4.11Å; I219-I248 HydrophobicContact CD1-CG2 4.03Å; I219-A278 HydrophobicContact CD1-CB 4.29Å; I219-A278 HydrophobicContact CG1-CB 3.84Å; I219-L281 HydrophobicContact CD1-CD2 4.11Å
220	R	97.3	Very high	96.7	Very high	87 Å²	87	58.8 Å²	58.8	33%	0.328	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.5	179.1	-78.1	-75.2	-178.4	-114.4	3.9	114.9	V216 T218 E222 I223 K224 L226 I228	V216-R220 HydrophobicContact CG1-CG 4.23Å; V216-R220 WeakPolarHBondContact O-CB 3.33Å; V216-R220 VanDerWaalsContact O-CG 3.22Å; V216-R220 WeakPolarHBondContact O-CG 3.42Å; V216-R220 PolarHBondContact O-N 2.94Å; T218-R220 VanDerWaalsContact C-N 3.27Å; T218-R220 PolarHBondContact O-N 2.93Å; R220-E222 PolarHBondContact O-N 3.3Å; R220-I223 PolarHBondContact NH1-O 3.2Å; R220-K224 VanDerWaalsContact CZ-O 3.25Å; R220-K224 PolarHBondContact NE-O 2.95Å; R220-K224 PolarHBondContact NH1-O 3.13Å; R220-L226 PolarHBondContact NH1-O 3.1Å; R220-L226 PolarHBondContact NH2-O 2.87Å; R220-I228 HydrophobicContact CG-CD1 4.28Å
221	K	96.9	Very high	96.7	Very high	151 Å²	151	62.1 Å²	62.1	66%	0.657	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.5	172.9	-63.8	176.2	-177.1	174.9	0	112	T218 I219	T218-K221 WeakPolarHBondContact O-CB 3.23Å; T218-K221 WeakPolarHBondContact O-CG 3.17Å; T218-K221 PolarHBondContact O-N 3.42Å; T218-K221 VanDerWaalsContact O-N 3.15Å; I219-K221 PolarHBondContact O-N 2.85Å; I219-K221 VanDerWaalsContact O-N 3.13Å
222	E	95.1	Very high	96.7	Very high	98 Å²	98	64.3 Å²	64.3	46%	0.458	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-37	-178	-74.9	172.7	-135.9	0	0	112.8	I219 R220 L282 R286	I219-E222 PolarHBondContact O-N 3.17Å; I219-E222 VanDerWaalsContact O-N 3.08Å; R220-E222 PolarHBondContact O-N 3.3Å; E222-L282 HydrophobicContact CB-CD2 4.27Å; E222-R286 IonicContact OE1-CZ 3.4Å; E222-R286 IonicContact OE1-NE 3.76Å; E222-R286 PolarHBondContact OE1-NE 3.39Å; E222-R286 IonicContact OE1-NH2 2.85Å; E222-R286 PolarHBondContact OE1-NH2 3Å; E222-R286 IonicContact OE2-CZ 3.94Å; E222-R286 IonicContact OE2-NE 3.19Å; E222-R286 PolarHBondContact OE2-NE 3.36Å; E222-R286 IonicContact OE2-NH2 2.83Å; E222-R286 PolarHBondContact OE2-NH2 3.4Å
223	I	95.3	Very high	96.6	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.159	31%	0.306	C	S	.	.			trans	-113.9	91.7	-175.6	-54.4	178.5	0	0	0	109.3	I193 I219 R220 L226 L282 I285	I193-I223 HydrophobicContact CD1-CD1 3.71Å; I193-I223 HydrophobicContact CD1-CG2 4.45Å; I219-I223 HydrophobicContact CG2-CB 4.09Å; I219-I223 HydrophobicContact CG2-CD1 4.24Å; I219-I223 HydrophobicContact CG2-CG1 4.46Å; I219-I223 PolarHBondContact O-N 2.9Å; R220-I223 PolarHBondContact NH1-O 3.2Å; I223-L226 HydrophobicContact CG2-CB 3.43Å; I223-L226 VanDerWaalsContact CG2-CB 3.43Å; I223-L226 HydrophobicContact CG2-CD2 3.99Å; I223-L226 HydrophobicContact CG2-CG 4.37Å; I223-L282 HydrophobicContact CD1-CD2 4.14Å; I223-L282 HydrophobicContact CG1-CD2 4.44Å; I223-I285 HydrophobicContact CD1-CD1 4.03Å
224	K	91.6	Very high	96.4	Very high	148 Å²	148	67.3 Å²	67.3	64%	0.643	31%	0.308	S	S	*	.			trans	-78.7	-51.6	-170.7	-62.3	-175.6	-179.8	177.9	0	114	R220	R220-K224 VanDerWaalsContact CZ-O 3.25Å; R220-K224 PolarHBondContact NE-O 2.95Å; R220-K224 PolarHBondContact NH1-O 3.13Å
225	E	90.6	Very high	96.1	Very high	182 Å²	182	68.9 Å²	68.9	85%	0.85	32%	0.315	S	S	*	.	S	Bend	trans	-92.4	-11	-166.1	-59.3	-55.6	133.3	0	0	114.5
226	L	94.4	Very high	95.2	Very high	31 Å²	31	76.3 Å²	76.3	16%	0.162	35%	0.348	C	S	.	.	S	Bend	trans	-76.1	141.9	-173.2	-162.5	66.1	0	0	0	112.2	I190 T191 I193 R220 I223 I228	I190-L226 HydrophobicContact CB-CD2 4.48Å; I190-L226 HydrophobicContact CG2-CD2 3.68Å; T191-L226 VanDerWaalsContact O-CD1 3.27Å; T191-L226 WeakPolarHBondContact O-CD1 3.48Å; I193-L226 HydrophobicContact CD1-CD2 3.87Å; I193-L226 HydrophobicContact CG1-CD2 3.74Å; R220-L226 PolarHBondContact NH1-O 3.1Å; R220-L226 PolarHBondContact NH2-O 2.87Å; I223-L226 HydrophobicContact CG2-CB 3.43Å; I223-L226 VanDerWaalsContact CG2-CB 3.43Å; I223-L226 HydrophobicContact CG2-CD2 3.99Å; I223-L226 HydrophobicContact CG2-CG 4.37Å; L226-I228 PolarHBondContact O-N 3.11Å
227	Y	90.2	Very high	94.4	Very high	153 Å²	153	82.7 Å²	82.7	60%	0.6	38%	0.375	S	S	*	.			trans	-64.1	129.1	170.6	179.9	-104.8	0	0	0	111.4	I193 N229	I193-Y227 PolarHBondContact N-O 2.89Å; Y227-N229 HydrophobicContact CD1-CB 4.46Å; Y227-N229 HydrophobicContact CE1-CB 3.56Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å
228	I	97.2	Very high	94	Very high	20 Å²	20	82.3 Å²	82.3	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122	178.2	-55.2	176.1	0	0	0	109	I193 V216 I219 R220 L226 I230	I193-I228 HydrophobicContact CB-CG1 4.19Å; I193-I228 HydrophobicContact CB-CG2 4.4Å; I193-I228 HydrophobicContact CG2-CG2 4.01Å; I193-I228 VanDerWaalsContact O-CA 3.32Å; I193-I228 WeakPolarHBondContact O-CA 3.23Å; V216-I228 HydrophobicContact CG2-CG2 3.94Å; I219-I228 HydrophobicContact CB-CD1 3.96Å; I219-I228 HydrophobicContact CG2-CD1 3.47Å; I219-I228 VanDerWaalsContact CG2-CD1 3.47Å; R220-I228 HydrophobicContact CG-CD1 4.28Å; L226-I228 PolarHBondContact O-N 3.11Å; I228-I230 HydrophobicContact CG2-CD1 4.15Å; I228-I230 HydrophobicContact CG2-CG1 4.08Å
229	N	97.8	Very high	93.7	Very high	54 Å²	54	83 Å²	83	29%	0.289	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	96.6	176.5	-173.2	11.9	0	0	0	112.5	I193 H194 G195 Y227	I193-N229 PolarHBondContact O-N 3.11Å; H194-N229 CarbonylContact C-O 3.59Å; H194-N229 WeakPolarHBondContact CA-O 3.35Å; G195-N229 PolarHBondContact N-O 3.27Å; Y227-N229 HydrophobicContact CD1-CB 4.46Å; Y227-N229 HydrophobicContact CE1-CB 3.56Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å
230	I	98.5	Very high	93.3	Very high	6 Å²	6	85.3 Å²	85.3	3%	0.031	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	101.9	175.7	-57.7	171.9	0	0	0	108.4	G195 A197 S212 A215 V216 I219 I228 P232 I246 I248	G195-I230 WeakPolarHBondContact O-CA 3.3Å; A197-I230 HydrophobicContact CB-CG2 4.28Å; S212-I230 PolarHBondContact OG-O 3.2Å; A215-I230 HydrophobicContact CB-CD1 3.79Å; V216-I230 HydrophobicContact CG2-CD1 4.05Å; I219-I230 HydrophobicContact CD1-CD1 4.32Å; I228-I230 HydrophobicContact CG2-CD1 4.15Å; I228-I230 HydrophobicContact CG2-CG1 4.08Å; I230-P232 VanDerWaalsContact O-CD 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.15Å; I230-I246 HydrophobicContact CG2-CD1 3.9Å; I230-I246 HydrophobicContact CG2-CG1 4.25Å; I230-I248 HydrophobicContact CD1-CD1 3.85Å; I230-I248 HydrophobicContact CD1-CG1 3.93Å; I230-I248 HydrophobicContact CD1-CG2 3.82Å; I230-I248 HydrophobicContact CG1-CG2 4.14Å
231	Q	98.2	Very high	93	Very high	107 Å²	107	83 Å²	83	50%	0.5	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123	-173.4	-65.3	-176.2	-3.8	0	0	111.6	G195 R196 A197 V233	G195-Q231 PolarHBondContact O-N 2.79Å; R196-Q231 CarbonylContact C-O 3.56Å; R196-Q231 VanDerWaalsContact CA-O 3.25Å; R196-Q231 WeakPolarHBondContact CA-O 3.29Å; A197-Q231 PolarHBondContact N-O 2.94Å; Q231-V233 HydrophobicContact CB-CG1 4.39Å
232	P	98.3	Very high	92.8	Very high	46 Å²	46	79.6 Å²	79.6	30%	0.299	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.3	167.8	-15.3	31.9	0	0	0	110.1	A197 F205 A208 K209 I230	A197-P232 CarbonylContact O-C 3.4Å; A197-P232 VanDerWaalsContact O-CA 3.27Å; A197-P232 WeakPolarHBondContact O-CA 3.26Å; F205-P232 HydrophobicContact CE2-CB 3.94Å; F205-P232 HydrophobicContact CZ-CB 3.88Å; A208-P232 HydrophobicContact CB-CB 3.93Å; K209-P232 HydrophobicContact CG-CB 4.05Å; K209-P232 HydrophobicContact CG-CG 4.16Å; I230-P232 VanDerWaalsContact O-CD 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.15Å
233	V	97.1	Very high	92.7	Very high	37 Å²	37	75.3 Å²	75.3	22%	0.224	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152	-178.5	-58.1	0	0	0	0	112	R196 A197 F198 V199 Q231	R196-V233 HydrophobicContact CB-CG2 4.47Å; R196-V233 VanDerWaalsContact NH2-CG2 3.25Å; A197-V233 PolarHBondContact O-N 2.87Å; F198-V233 WeakPolarHBondContact CA-O 3.47Å; F198-V233 HydrophobicContact CB-CG2 3.52Å; V199-V233 PolarHBondContact N-O 3.32Å; Q231-V233 HydrophobicContact CB-CG1 4.39Å
234	Q	95.7	Very high	92.8	Very high	79 Å²	79	75 Å²	75	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.1	175.5	-174.9	173.1	28.9	0	0	110	V199 F205 K236	V199-Q234 HydrophobicContact CG2-CB 4.15Å; V199-Q234 HydrophobicContact CG2-CG 4.03Å; V199-Q234 WeakPolarHBondContact O-CA 3.47Å; F205-Q234 HydrophobicContact CD2-CB 3.9Å; F205-Q234 HydrophobicContact CE2-CB 4.33Å; Q234-K236 HydrophobicContact CG-CG 3.94Å; Q234-K236 PolarHBondContact O-N 3.16Å; Q234-K236 VanDerWaalsContact OE1-CE 3.25Å
235	E	91.9	Very high	93.1	Very high	34 Å²	34	68 Å²	68	16%	0.159	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	95.6	177.3	-61	-72	-171	0	0	108.8	R159 R196 V199 A200 A239	R159-E235 IonicContact CZ-OE1 3.41Å; R159-E235 IonicContact NE-OE1 2.85Å; R159-E235 PolarHBondContact NE-OE1 3.46Å; R159-E235 VanDerWaalsContact NE-OE1 3.07Å; R196-E235 IonicContact CZ-OE1 3.09Å; R196-E235 VanDerWaalsContact CZ-OE1 3.27Å; R196-E235 IonicContact NH1-OE1 2.76Å; R196-E235 PolarHBondContact NH1-OE1 3.11Å; R196-E235 IonicContact NH2-OE1 3.78Å; R196-E235 PolarHBondContact NH2-OE1 3.37Å; V199-E235 PolarHBondContact O-N 2.84Å; A200-E235 HydrophobicContact CB-CB 4.02Å; E235-A239 HydrophobicContact CB-CB 3.95Å
236	K	79.6	Confident	93.5	Very high	156 Å²	156	59.3 Å²	59.3	68%	0.678	30%	0.301	S	S	*	.	S	Bend	trans	-85.2	-54.8	-176	-65.3	-175.2	179.6	-179.8	0	112.6	Q234	Q234-K236 HydrophobicContact CG-CG 3.94Å; Q234-K236 PolarHBondContact O-N 3.16Å; Q234-K236 VanDerWaalsContact OE1-CE 3.25Å
237	E	82.1	Confident	93.7	Very high	176 Å²	176	57.9 Å²	57.9	82%	0.822	29%	0.294	S	S	*	.	S	Bend	trans	-107.2	-19.6	-168.4	-65.9	173.3	-172.4	0	0	113.4
238	K	89.6	Confident	94.1	Very high	128 Å²	128	50.6 Å²	50.6	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	-106.7	38.8	-177.6	-62.7	-170.9	177.2	-172.5	0	112.7	R159	R159-K238 WeakPolarHBondContact CB-O 3.5Å; R159-K238 PolarHBondContact N-O 3.37Å
239	A	91.1	Very high	94.2	Very high	20 Å²	20	49.9 Å²	49.9	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.1	176	0	0	0	0	0	113	M158 R159 Y161 A200 E235	M158-A239 VanDerWaalsContact SD-CA 3.57Å; M158-A239 PolarHBondContact SD-N 2.96Å; R159-A239 HydrophobicContact CB-CB 4.2Å; R159-A239 CarbonylContact O-C 3.6Å; R159-A239 WeakPolarHBondContact O-CA 3.48Å; Y161-A239 HydrophobicContact CE2-CB 4.05Å; A200-A239 HydrophobicContact CB-CB 3.7Å; E235-A239 HydrophobicContact CB-CB 3.95Å
240	C	91	Very high	94.2	Very high	47 Å²	47	47.3 Å²	47.3	32%	0.318	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.5	169.6	-167.9	0	0	0	0	110.2	M158 R159	M158-C240 HydrophobicContact CG-CB 4.26Å; R159-C240 PolarHBondContact O-N 3.31Å
241	G	90.5	Very high	94.2	Very high	39 Å²	39	49.6 Å²	49.6	40%	0.402	26%	0.258	S	S	.	.	S	Bend	trans	80.7	-167.4	178.3	0	0	0	0	0	114.3
242	N	92.3	Very high	94.1	Very high	80 Å²	80	44.8 Å²	44.8	43%	0.428	24%	0.236	S	C	.	.			trans	-104.2	131.9	-178.2	-61.2	-36.1	0	0	0	109.3	G201 V202 L203	G201-N242 WeakPolarHBondContact CA-OD1 3.46Å; V202-N242 PolarHBondContact N-OD1 3.48Å; L203-N242 HydrophobicContact CD1-CB 4.42Å; L203-N242 HydrophobicContact CG-CB 4.22Å
243	G	94.3	Very high	94.1	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	144.8	178.9	0	0	0	0	0	111.1	V199 A200	V199-G243 CarbonylContact C-O 3.49Å; V199-G243 WeakPolarHBondContact CA-O 3.38Å; A200-G243 PolarHBondContact N-O 2.75Å; A200-G243 PolarHBondContact O-N 2.83Å
244	N	96.8	Very high	94.1	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.9	168.2	76.9	75.2	0	0	0	109.7	F198 V199 L203 M211 G264	F198-N244 WeakPolarHBondContact O-CA 3.37Å; F198-N244 VanDerWaalsContact O-CB 3.3Å; F198-N244 WeakPolarHBondContact O-CB 3.3Å; V199-N244 HydrophobicContact CB-CB 4.43Å; V199-N244 HydrophobicContact CG1-CB 3.76Å; L203-N244 HydrophobicContact CD1-CB 3.84Å; M211-N244 HydrophobicContact CE-CB 4.01Å; N244-G264 PolarHBondContact O-N 3.2Å; N244-G264 WeakPolarHBondContact OD1-CA 3.48Å; N244-G264 PolarHBondContact OD1-N 3.45Å
245	G	97.9	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-174.7	178.7	0	0	0	0	0	111.2	A197 F198 M211 A262	A197-G245 CarbonylContact C-O 3.59Å; A197-G245 WeakPolarHBondContact CA-O 3.11Å; F198-G245 WeakPolarHBondContact CD1-O 3.24Å; F198-G245 VanDerWaalsContact CE1-C 3.47Å; F198-G245 PolarHBondContact N-O 2.99Å; F198-G245 PolarHBondContact O-N 2.94Å; M211-G245 VanDerWaalsContact CE-O 3.29Å; M211-G245 WeakPolarHBondContact CE-O 3.5Å; G245-A262 CarbonylContact C-O 3.4Å; G245-A262 WeakPolarHBondContact CA-O 3.32Å
246	I	98.8	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.8	-176.4	-178.8	172.9	0	0	0	108.8	Q133 R196 A197 M211 A215 I230 I248 S261 A262 V273 A277	Q133-I246 PolarHBondContact NE2-O 3.32Å; R196-I246 WeakPolarHBondContact O-CA 3.3Å; A197-I246 HydrophobicContact CB-CB 4.18Å; A197-I246 HydrophobicContact CB-CD1 4.16Å; A197-I246 HydrophobicContact CB-CG1 4.06Å; M211-I246 HydrophobicContact CB-CD1 4.41Å; M211-I246 HydrophobicContact SD-CB 4.32Å; M211-I246 HydrophobicContact SD-CG2 4.34Å; A215-I246 HydrophobicContact CB-CD1 3.61Å; I230-I246 HydrophobicContact CG2-CD1 3.9Å; I230-I246 HydrophobicContact CG2-CG1 4.25Å; I246-I248 HydrophobicContact CD1-CD1 3.93Å; I246-I248 HydrophobicContact CD1-CG1 3.91Å; I246-I248 HydrophobicContact CG1-CD1 4.36Å; I246-I248 HydrophobicContact CG1-CG1 3.85Å; I246-S261 CarbonylContact O-C 3.6Å; I246-S261 WeakPolarHBondContact O-CA 3.38Å; I246-S261 WeakPolarHBondContact O-CB 3.25Å; I246-A262 HydrophobicContact CG2-CB 4.29Å; I246-A262 PolarHBondContact N-O 3.17Å; I246-A262 PolarHBondContact O-N 2.87Å; I246-V273 HydrophobicContact CG2-CG1 4.13Å; I246-A277 HydrophobicContact CG2-CB 3.41Å; I246-A277 VanDerWaalsContact CG2-CB 3.41Å
247	I	98.6	Very high	95.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.9	166.9	-175.4	170.1	0	0	0	108.2	D135 Y136 G195 R196 I249	D135-I247 HydrophobicContact CB-CD1 3.91Å; D135-I247 HydrophobicContact CB-CG2 3.89Å; Y136-I247 VanDerWaalsContact N-CD1 3.31Å; G195-I247 CarbonylContact C-O 3.56Å; G195-I247 WeakPolarHBondContact CA-O 3.46Å; R196-I247 HydrophobicContact CG-CG2 3.66Å; R196-I247 PolarHBondContact N-O 3.38Å; R196-I247 PolarHBondContact O-N 2.87Å; I247-I249 HydrophobicContact CG1-CG1 4.3Å
248	I	98.8	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.5	-178.3	-40.9	172.3	0	0	0	106.7	I193 A215 I219 I230 I246 A259 G260 A277 A278 L281	I193-I248 HydrophobicContact CG2-CG2 3.58Å; A215-I248 HydrophobicContact CB-CD1 3.61Å; I219-I248 HydrophobicContact CD1-CD1 4.11Å; I219-I248 HydrophobicContact CD1-CG2 4.03Å; I230-I248 HydrophobicContact CD1-CD1 3.85Å; I230-I248 HydrophobicContact CD1-CG1 3.93Å; I230-I248 HydrophobicContact CD1-CG2 3.82Å; I230-I248 HydrophobicContact CG1-CG2 4.14Å; I246-I248 HydrophobicContact CD1-CD1 3.93Å; I246-I248 HydrophobicContact CD1-CG1 3.91Å; I246-I248 HydrophobicContact CG1-CD1 4.36Å; I246-I248 HydrophobicContact CG1-CG1 3.85Å; I248-A259 CarbonylContact O-C 3.46Å; I248-A259 WeakPolarHBondContact O-CA 3.37Å; I248-A259 WeakPolarHBondContact O-CB 3.32Å; I248-G260 PolarHBondContact N-O 3.19Å; I248-G260 PolarHBondContact O-N 2.98Å; I248-A277 HydrophobicContact CD1-CB 4.05Å; I248-A277 HydrophobicContact CG1-CB 4.44Å; I248-A278 HydrophobicContact CD1-CB 4.22Å; I248-L281 HydrophobicContact CB-CD2 4.04Å; I248-L281 HydrophobicContact CG2-CD2 3.55Å
249	I	98.8	Very high	96.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.4	-173.9	-58.2	169.4	0	0	0	108	K139 V140 I193 H194 I247 L257 F258 A259	K139-I249 HydrophobicContact CB-CD1 3.33Å; K139-I249 HydrophobicContact CG-CD1 4.05Å; V140-I249 HydrophobicContact CG2-CD1 4.09Å; V140-I249 HydrophobicContact CG2-CG1 4.1Å; V140-I249 HydrophobicContact CG2-CG2 4.17Å; I193-I249 CarbonylContact C-O 3.51Å; I193-I249 WeakPolarHBondContact CA-O 3.48Å; H194-I249 PolarHBondContact N-O 3.19Å; H194-I249 PolarHBondContact O-N 2.9Å; H194-I249 VanDerWaalsContact O-O 3.11Å; I247-I249 HydrophobicContact CG1-CG1 4.3Å; I249-L257 HydrophobicContact CG2-CD2 4.4Å; I249-F258 CarbonylContact C-O 3.6Å; I249-F258 VanDerWaalsContact CA-O 3.26Å; I249-F258 WeakPolarHBondContact CA-O 3.34Å; I249-A259 HydrophobicContact CG1-CB 4.42Å
250	A	98.4	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.4	168.3	0	0	0	0	0	109.9	I190 K192 I193 L257 F258 L281 I285	I190-A250 HydrophobicContact CD1-CB 4.44Å; I190-A250 HydrophobicContact CG2-CB 3.93Å; K192-A250 CarbonylContact O-C 3.59Å; K192-A250 WeakPolarHBondContact O-CA 3.33Å; I193-A250 HydrophobicContact CG1-CB 3.97Å; A250-L257 WeakPolarHBondContact O-CA 3.1Å; A250-F258 HydrophobicContact CB-CB 4.43Å; A250-F258 HydrophobicContact CB-CD2 4.49Å; A250-F258 PolarHBondContact N-O 2.99Å; A250-F258 PolarHBondContact O-N 2.88Å; A250-L281 HydrophobicContact CB-CD1 3.85Å; A250-L281 HydrophobicContact CB-CD2 4.47Å; A250-I285 HydrophobicContact CB-CD1 3.82Å; A250-I285 HydrophobicContact CB-CG1 4.31Å
251	E	97.9	Very high	97.2	Very high	54 Å²	54	20.1 Å²	20.1	25%	0.252	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.1	174.4	-54.4	177.3	-128.5	0	0	109	I190 T191 K192 H194 C256 L257	I190-E251 WeakPolarHBondContact CA-O 3.15Å; T191-E251 PolarHBondContact N-O 3.35Å; T191-E251 PolarHBondContact OG1-O 2.97Å; K192-E251 HydrophobicContact CB-CB 4.35Å; K192-E251 WeakPolarHBondContact CD-OE1 3.36Å; K192-E251 WeakPolarHBondContact CE-OE1 3.35Å; K192-E251 PolarHBondContact N-O 2.74Å; K192-E251 IonicContact NZ-OE1 3.49Å; K192-E251 PolarHBondContact NZ-OE1 2.72Å; K192-E251 PolarHBondContact O-N 2.83Å; H194-E251 IonicContact CE1-OE1 3.85Å; H194-E251 PolarHBondContact CE1-OE1 3.21Å; H194-E251 IonicContact ND1-OE1 3.71Å; H194-E251 PolarHBondContact ND1-OE1 3.06Å; H194-E251 IonicContact NE2-OE1 2.79Å; E251-C256 WeakPolarHBondContact CA-O 3.26Å; E251-L257 HydrophobicContact CB-CD2 4.24Å; E251-L257 HydrophobicContact CG-CD2 3.72Å
252	S	97.4	Very high	97.5	Very high	7 Å²	7	18.8 Å²	18.8	5%	0.049	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	165.4	172	84.9	0	0	0	0	113.1	R187 N189 T254 G255 C256	R187-S252 WeakPolarHBondContact O-CB 3.41Å; R187-S252 PolarHBondContact O-OG 3.4Å; N189-S252 CarbonylContact O-C 3.41Å; N189-S252 WeakPolarHBondContact O-CA 3.33Å; N189-S252 WeakPolarHBondContact O-CB 3.43Å; S252-T254 PolarHBondContact O-N 3.45Å; S252-T254 PolarHBondContact OG-N 2.72Å; S252-T254 PolarHBondContact OG-OG1 3.15Å; S252-T254 VanDerWaalsContact OG-OG1 3.05Å; S252-G255 PolarHBondContact O-N 2.89Å; S252-G255 PolarHBondContact OG-N 3.02Å; S252-C256 PolarHBondContact N-O 3.16Å; S252-C256 VanDerWaalsContact OG-CB 3.26Å; S252-C256 WeakPolarHBondContact OG-CB 3.13Å; S252-C256 PolarHBondContact OG-N 3.34Å
253	S	97.2	Very high	97.8	Very high	73 Å²	73	16.5 Å²	16.5	51%	0.51	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	174.5	58.5	0	0	0	0	114.1	G188 N189	G188-S253 WeakPolarHBondContact CA-OG 3.26Å; N189-S253 PolarHBondContact N-OG 2.65Å; N189-S253 VanDerWaalsContact N-OG 3.1Å; N189-S253 PolarHBondContact O-N 3.46Å
254	T	97.1	Very high	97.8	Very high	52 Å²	52	17.2 Å²	17.2	32%	0.319	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5.4	176.6	61.8	0	0	0	0	112.7	D186 R187 S252	D186-T254 HydrophobicContact CB-CG2 4.44Å; D186-T254 WeakPolarHBondContact O-CB 3.38Å; D186-T254 PolarHBondContact O-OG1 2.94Å; R187-T254 PolarHBondContact O-OG1 2.84Å; S252-T254 PolarHBondContact O-N 3.45Å; S252-T254 PolarHBondContact OG-N 2.72Å; S252-T254 PolarHBondContact OG-OG1 3.15Å; S252-T254 VanDerWaalsContact OG-OG1 3.05Å
255	G	96.5	Very high	97.6	Very high	34 Å²	34	21.2 Å²	21.2	35%	0.351	13%	0.132	S	C	.	.			trans	74.1	27.8	-178.5	0	0	0	0	0	113.5	K147 S252	K147-G255 PolarHBondContact NZ-O 3.01Å; S252-G255 PolarHBondContact O-N 2.89Å; S252-G255 PolarHBondContact OG-N 3.02Å
256	C	98.1	Very high	97.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	18%	0.177	C	C	.	.			trans	-75.2	147.2	162.6	-64.5	0	0	0	0	109.8	E251 S252 F258 C290	E251-C256 WeakPolarHBondContact CA-O 3.26Å; S252-C256 PolarHBondContact N-O 3.16Å; S252-C256 VanDerWaalsContact OG-CB 3.26Å; S252-C256 WeakPolarHBondContact OG-CB 3.13Å; S252-C256 PolarHBondContact OG-N 3.34Å; C256-F258 HydrophobicContact CB-CE2 3.68Å; C256-F258 HydrophobicContact CB-CZ 3.76Å; C256-C290 VanDerWaalsContact CB-O 3.3Å; C256-C290 WeakPolarHBondContact CB-O 3.35Å; C256-C290 VanDerWaalsContact SG-CB 3.58Å; C256-C290 PolarHBondContact SG-O 3.06Å
257	L	98.3	Very high	96.8	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.094	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.4	-177.6	-62.5	173.4	0	0	0	109.2	K139 V140 P143 I144 I249 A250 E251	K139-L257 WeakPolarHBondContact O-CD1 3.18Å; V140-L257 HydrophobicContact CG1-CB 3.99Å; P143-L257 HydrophobicContact CB-CD1 3.84Å; P143-L257 HydrophobicContact CG-CD1 4.09Å; I144-L257 HydrophobicContact CD1-CD1 4.11Å; I144-L257 HydrophobicContact CD1-CG 4.31Å; I144-L257 HydrophobicContact CG1-CD1 4.23Å; I249-L257 HydrophobicContact CG2-CD2 4.4Å; A250-L257 WeakPolarHBondContact O-CA 3.1Å; E251-L257 HydrophobicContact CB-CD2 4.24Å; E251-L257 HydrophobicContact CG-CD2 3.72Å
258	F	98.2	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.4	177.8	-51.1	-87.3	0	0	0	108.8	R187 I190 I249 A250 C256 L281 N284 G289 D292	R187-F258 HydrophobicContact CG-CE2 4.31Å; R187-F258 HydrophobicContact CG-CZ 3.92Å; I190-F258 HydrophobicContact CD1-CD2 3.98Å; I190-F258 HydrophobicContact CD1-CE2 3.88Å; I249-F258 CarbonylContact C-O 3.6Å; I249-F258 VanDerWaalsContact CA-O 3.26Å; I249-F258 WeakPolarHBondContact CA-O 3.34Å; A250-F258 HydrophobicContact CB-CB 4.43Å; A250-F258 HydrophobicContact CB-CD2 4.49Å; A250-F258 PolarHBondContact N-O 2.99Å; A250-F258 PolarHBondContact O-N 2.88Å; C256-F258 HydrophobicContact CB-CE2 3.68Å; C256-F258 HydrophobicContact CB-CZ 3.76Å; F258-L281 HydrophobicContact CB-CD1 4.08Å; F258-L281 WeakPolarHBondContact O-CD1 3.08Å; F258-N284 HydrophobicContact CB-CB 4.26Å; F258-N284 HydrophobicContact CD1-CB 4.37Å; F258-G289 VanDerWaalsContact CE1-O 3.26Å; F258-G289 WeakPolarHBondContact CE1-O 3.3Å; F258-G289 WeakPolarHBondContact CZ-O 3.45Å; F258-D292 HydrophobicContact CB-CB 4.49Å; F258-D292 HydrophobicContact CD1-CB 4.11Å
259	A	98.3	Very high	96.4	Very high	2 Å²	2	47 Å²	47	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.7	173.1	0	0	0	0	0	114.4	Y136 V140 I248 I249 N284 D292	Y136-A259 HydrophobicContact CD2-CB 3.53Å; Y136-A259 HydrophobicContact CE2-CB 3.66Å; V140-A259 HydrophobicContact CG2-CB 4.15Å; I248-A259 CarbonylContact O-C 3.46Å; I248-A259 WeakPolarHBondContact O-CA 3.37Å; I248-A259 WeakPolarHBondContact O-CB 3.32Å; I249-A259 HydrophobicContact CG1-CB 4.42Å; A259-N284 PolarHBondContact O-ND2 3.05Å; A259-D292 PolarHBondContact N-OD2 3.2Å
260	G	98.4	Very high	96.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.5	159.2	0	0	0	0	0	109.3	I248 A277	I248-G260 PolarHBondContact N-O 3.19Å; I248-G260 PolarHBondContact O-N 2.98Å; G260-A277 WeakPolarHBondContact CA-O 3.32Å
261	S	98.3	Very high	96.4	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.7	-178.9	81.3	0	0	0	0	112.2	Q133 I246 M280	Q133-S261 PolarHBondContact NE2-OG 2.85Å; I246-S261 CarbonylContact O-C 3.6Å; I246-S261 WeakPolarHBondContact O-CA 3.38Å; I246-S261 WeakPolarHBondContact O-CB 3.25Å; S261-M280 PolarHBondContact N-SD 3.44Å; S261-M280 VanDerWaalsContact N-SD 3.37Å; S261-M280 WeakPolarHBondContact O-CE 3.35Å
262	A	98.1	Very high	96.4	Very high	11 Å²	11	53 Å²	53	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.9	174.9	0	0	0	0	0	110.1	Q133 G245 I246 V273 E276 A277	Q133-A262 PolarHBondContact NE2-O 3.32Å; G245-A262 CarbonylContact C-O 3.4Å; G245-A262 WeakPolarHBondContact CA-O 3.32Å; I246-A262 HydrophobicContact CG2-CB 4.29Å; I246-A262 PolarHBondContact N-O 3.17Å; I246-A262 PolarHBondContact O-N 2.87Å; A262-V273 HydrophobicContact CB-CG1 3.63Å; A262-V273 WeakPolarHBondContact CB-O 3.19Å; A262-E276 HydrophobicContact CB-CB 4.14Å; A262-A277 HydrophobicContact CB-CB 3.94Å
263	L	97.3	Very high	96.4	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.168	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.3	175.5	-64.1	176.1	0	0	0	109.3	N127 Q133 F198	N127-L263 HydrophobicContact CB-CD1 4.42Å; N127-L263 HydrophobicContact CB-CD2 3.87Å; N127-L263 WeakPolarHBondContact O-CD1 3.25Å; Q133-L263 HydrophobicContact CG-CD2 4.37Å; F198-L263 HydrophobicContact CZ-CD2 3.86Å
264	G	95.6	Very high	96.5	Very high	23 Å²	23	49.2 Å²	49.2	24%	0.237	27%	0.27	C	S	.	.			trans	-67.4	142	173.5	0	0	0	0	0	111.8	N244	N244-G264 PolarHBondContact O-N 3.2Å; N244-G264 WeakPolarHBondContact OD1-CA 3.48Å; N244-G264 PolarHBondContact OD1-N 3.45Å
265	K	92	Very high	96.6	Very high	109 Å²	109	50 Å²	50	47%	0.474	27%	0.272	S	S	.	.			trans	-125.4	154	175.7	-54.3	-168.3	-172.2	-155.1	0	109.9	E129 G267 V268	E129-K265 WeakPolarHBondContact OE1-CD 3.3Å; E129-K265 WeakPolarHBondContact OE1-CE 3.2Å; E129-K265 IonicContact OE1-NZ 3.02Å; E129-K265 PolarHBondContact OE1-NZ 2.91Å; E129-K265 IonicContact OE2-NZ 3.5Å; E129-K265 PolarHBondContact OE2-NZ 3.34Å; K265-G267 PolarHBondContact O-N 3.5Å; K265-V268 HydrophobicContact CB-CB 4.45Å; K265-V268 HydrophobicContact CB-CG2 3.96Å; K265-V268 PolarHBondContact O-N 3.48Å; K265-V268 VanDerWaalsContact O-N 3.07Å
266	K	88.2	Confident	96.7	Very high	218 Å²	218	52.4 Å²	52.4	95%	0.948	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	129.2	175.5	-171.6	178	179.3	-178.4	0	109.3	V268	K266-V268 VanDerWaalsContact C-N 3.34Å
267	G	90.6	Very high	96.7	Very high	80 Å²	80	52.3 Å²	52.3	83%	0.825	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	2.4	-178.9	0	0	0	0	0	115.4	K265	K265-G267 PolarHBondContact O-N 3.5Å
268	V	94.4	Very high	96.7	Very high	54 Å²	54	51.4 Å²	51.4	33%	0.327	27%	0.269	S	S	.	.			trans	-105.2	130	175.9	-178.1	0	0	0	0	110	K265 K266 K272 V273	K265-V268 HydrophobicContact CB-CB 4.45Å; K265-V268 HydrophobicContact CB-CG2 3.96Å; K265-V268 PolarHBondContact O-N 3.48Å; K265-V268 VanDerWaalsContact O-N 3.07Å; K266-V268 VanDerWaalsContact C-N 3.34Å; V268-K272 HydrophobicContact CG1-CB 4.14Å; V268-K272 HydrophobicContact CG1-CD 4.11Å; V268-K272 HydrophobicContact CG1-CG 4.2Å; V268-V273 HydrophobicContact CG1-CG2 3.96Å
269	Y	96.4	Very high	96.7	Very high	192 Å²	192	54 Å²	54	75%	0.753	28%	0.281	S	S	*	.			trans	-68.2	142.7	177.2	-66.4	-76.2	0	0	0	112.1	D271 K272 V273	Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 2.94Å; Y269-K272 WeakPolarHBondContact O-CB 3.46Å; Y269-K272 PolarHBondContact O-N 3.03Å; Y269-V273 PolarHBondContact O-N 2.78Å
270	A	97.3	Very high	96.7	Very high	10 Å²	10	55.5 Å²	55.5	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-42.6	177.9	0	0	0	0	0	112.7	L207 D210 M211 K272 V273 G274	L207-A270 HydrophobicContact CB-CB 4.25Å; L207-A270 HydrophobicContact CD2-CB 3.95Å; D210-A270 HydrophobicContact CB-CB 3.86Å; M211-A270 HydrophobicContact CG-CB 3.99Å; M211-A270 WeakPolarHBondContact CG-O 3.32Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.24Å; A270-V273 WeakPolarHBondContact O-CB 3.5Å; A270-V273 PolarHBondContact O-N 3.37Å; A270-V273 VanDerWaalsContact O-N 3.09Å; A270-G274 PolarHBondContact O-N 2.89Å
271	D	97.8	Very high	96.7	Very high	59 Å²	59	55.5 Å²	55.5	32%	0.316	29%	0.287	S	S	.	.	H	α-helix	trans	-56.3	-41.2	177	-75.8	45.3	0	0	0	112.3	A214 R217 Y269 V273 G274 I275	A214-D271 HydrophobicContact CB-CB 3.91Å; A214-D271 WeakPolarHBondContact CB-O 3.39Å; R217-D271 IonicContact NH2-OD2 3.9Å; R217-D271 PolarHBondContact NH2-OD2 2.79Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 2.94Å; D271-V273 VanDerWaalsContact C-N 3.35Å; D271-V273 PolarHBondContact O-N 3.47Å; D271-G274 PolarHBondContact O-N 2.77Å; D271-I275 WeakPolarHBondContact O-CD1 3.39Å; D271-I275 WeakPolarHBondContact O-CG1 3.48Å; D271-I275 PolarHBondContact O-N 2.99Å
272	K	98.4	Very high	96.7	Very high	114 Å²	114	54.5 Å²	54.5	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-41.3	178.1	-178.8	168.5	172.5	178	0	111.4	V268 Y269 A270 G274 I275 E276	V268-K272 HydrophobicContact CG1-CB 4.14Å; V268-K272 HydrophobicContact CG1-CD 4.11Å; V268-K272 HydrophobicContact CG1-CG 4.2Å; Y269-K272 WeakPolarHBondContact O-CB 3.46Å; Y269-K272 PolarHBondContact O-N 3.03Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.24Å; K272-G274 VanDerWaalsContact C-N 3.34Å; K272-G274 PolarHBondContact O-N 2.96Å; K272-I275 PolarHBondContact O-N 3.46Å; K272-E276 WeakPolarHBondContact CE-OE1 3.29Å; K272-E276 HydrophobicContact CG-CG 4.41Å; K272-E276 WeakPolarHBondContact O-CB 3.42Å; K272-E276 VanDerWaalsContact O-CG 3.32Å; K272-E276 WeakPolarHBondContact O-CG 3.36Å; K272-E276 PolarHBondContact O-N 2.91Å
273	V	98.4	Very high	96.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-42.9	175.5	-175	0	0	0	0	110.8	M211 I246 A262 V268 Y269 A270 D271 E276 A277	M211-V273 HydrophobicContact CG-CB 4.07Å; M211-V273 HydrophobicContact CG-CG1 4.32Å; M211-V273 HydrophobicContact SD-CB 3.93Å; M211-V273 HydrophobicContact SD-CG1 3.59Å; M211-V273 VanDerWaalsContact SD-CG1 3.59Å; I246-V273 HydrophobicContact CG2-CG1 4.13Å; A262-V273 HydrophobicContact CB-CG1 3.63Å; A262-V273 WeakPolarHBondContact CB-O 3.19Å; V268-V273 HydrophobicContact CG1-CG2 3.96Å; Y269-V273 PolarHBondContact O-N 2.78Å; A270-V273 WeakPolarHBondContact O-CB 3.5Å; A270-V273 PolarHBondContact O-N 3.37Å; A270-V273 VanDerWaalsContact O-N 3.09Å; D271-V273 VanDerWaalsContact C-N 3.35Å; D271-V273 PolarHBondContact O-N 3.47Å; V273-E276 PolarHBondContact O-N 2.99Å; V273-A277 PolarHBondContact O-N 3.47Å; V273-A277 VanDerWaalsContact O-N 3.17Å
274	G	98.8	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-44.4	174.2	0	0	0	0	0	113.2	M211 A215 A270 D271 K272 A278	M211-G274 WeakPolarHBondContact O-CA 3.39Å; A215-G274 WeakPolarHBondContact CB-O 3.42Å; A270-G274 PolarHBondContact O-N 2.89Å; D271-G274 PolarHBondContact O-N 2.77Å; K272-G274 VanDerWaalsContact C-N 3.34Å; K272-G274 PolarHBondContact O-N 2.96Å; G274-A278 WeakPolarHBondContact O-CB 3.23Å; G274-A278 PolarHBondContact O-N 3.36Å
275	I	98.8	Very high	96.5	Very high	69 Å²	69	58 Å²	58	35%	0.354	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-46.4	176.8	-67.8	160.8	0	0	0	110.9	A214 D271 K272 A277 A278 E279	A214-I275 HydrophobicContact CB-CG1 4.29Å; D271-I275 WeakPolarHBondContact O-CD1 3.39Å; D271-I275 WeakPolarHBondContact O-CG1 3.48Å; D271-I275 PolarHBondContact O-N 2.99Å; K272-I275 PolarHBondContact O-N 3.46Å; I275-A277 VanDerWaalsContact C-N 3.35Å; I275-A277 PolarHBondContact O-N 3.26Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-E279 HydrophobicContact CG2-CG 4.25Å; I275-E279 WeakPolarHBondContact O-CG 3.27Å; I275-E279 PolarHBondContact O-N 3.06Å
276	E	98.6	Very high	96.6	Very high	83 Å²	83	57.7 Å²	57.7	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-43.9	-179.3	-76.8	172.6	-175.7	0	0	112.1	A262 K272 V273 M280	A262-E276 HydrophobicContact CB-CB 4.14Å; K272-E276 WeakPolarHBondContact CE-OE1 3.29Å; K272-E276 HydrophobicContact CG-CG 4.41Å; K272-E276 WeakPolarHBondContact O-CB 3.42Å; K272-E276 VanDerWaalsContact O-CG 3.32Å; K272-E276 WeakPolarHBondContact O-CG 3.36Å; K272-E276 PolarHBondContact O-N 2.91Å; V273-E276 PolarHBondContact O-N 2.99Å; E276-M280 WeakPolarHBondContact O-CB 3.36Å; E276-M280 PolarHBondContact O-N 3.08Å
277	A	98.6	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-41.9	176	0	0	0	0	0	112.5	I246 I248 G260 A262 V273 I275 M280 L281	I246-A277 HydrophobicContact CG2-CB 3.41Å; I246-A277 VanDerWaalsContact CG2-CB 3.41Å; I248-A277 HydrophobicContact CD1-CB 4.05Å; I248-A277 HydrophobicContact CG1-CB 4.44Å; G260-A277 WeakPolarHBondContact CA-O 3.32Å; A262-A277 HydrophobicContact CB-CB 3.94Å; V273-A277 PolarHBondContact O-N 3.47Å; V273-A277 VanDerWaalsContact O-N 3.17Å; I275-A277 VanDerWaalsContact C-N 3.35Å; I275-A277 PolarHBondContact O-N 3.26Å; A277-M280 PolarHBondContact O-N 3.04Å; A277-L281 PolarHBondContact O-N 2.88Å
278	A	98.8	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176	0	0	0	0	0	112.1	A215 T218 I219 I248 G274 I275 M280 L281 L282	A215-A278 HydrophobicContact CB-CB 4.18Å; T218-A278 HydrophobicContact CG2-CB 3.67Å; I219-A278 HydrophobicContact CD1-CB 4.29Å; I219-A278 HydrophobicContact CG1-CB 3.84Å; I248-A278 HydrophobicContact CD1-CB 4.22Å; G274-A278 WeakPolarHBondContact O-CB 3.23Å; G274-A278 PolarHBondContact O-N 3.36Å; I275-A278 PolarHBondContact O-N 3.33Å; A278-M280 VanDerWaalsContact C-N 3.32Å; A278-M280 PolarHBondContact O-N 2.69Å; A278-L281 PolarHBondContact O-N 3.17Å; A278-L282 WeakPolarHBondContact O-CG 3.36Å; A278-L282 PolarHBondContact O-N 3.07Å
279	E	98.6	Very high	96.7	Very high	54 Å²	54	43.6 Å²	43.6	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-65.7	-35.6	177	-73.5	-59.8	157.9	0	0	112.2	T218 I275 L282 R283 R286	T218-E279 HydrophobicContact CG2-CG 4.16Å; T218-E279 VanDerWaalsContact CG2-OE1 3.27Å; T218-E279 WeakPolarHBondContact CG2-OE1 3.41Å; I275-E279 HydrophobicContact CG2-CG 4.25Å; I275-E279 WeakPolarHBondContact O-CG 3.27Å; I275-E279 PolarHBondContact O-N 3.06Å; E279-L282 PolarHBondContact O-N 2.74Å; E279-R283 WeakPolarHBondContact O-CG 3.21Å; E279-R283 PolarHBondContact O-N 2.85Å; E279-R283 PolarHBondContact O-NH1 3.14Å; E279-R286 IonicContact OE2-CZ 2.72Å; E279-R286 IonicContact OE2-NH1 2.79Å; E279-R286 PolarHBondContact OE2-NH1 2.72Å; E279-R286 IonicContact OE2-NH2 3.83Å; E279-R286 PolarHBondContact OE2-NH2 2.82Å
280	M	98.2	Very high	96.8	Very high	34 Å²	34	34.5 Å²	34.5	17%	0.167	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-46.9	172	-176.3	-176.1	-71.5	0	0	111.6	S261 E276 A277 A278 L282 R283 N284 F294	S261-M280 PolarHBondContact N-SD 3.44Å; S261-M280 VanDerWaalsContact N-SD 3.37Å; S261-M280 WeakPolarHBondContact O-CE 3.35Å; E276-M280 WeakPolarHBondContact O-CB 3.36Å; E276-M280 PolarHBondContact O-N 3.08Å; A277-M280 PolarHBondContact O-N 3.04Å; A278-M280 VanDerWaalsContact C-N 3.32Å; A278-M280 PolarHBondContact O-N 2.69Å; M280-L282 PolarHBondContact O-N 3.49Å; M280-R283 PolarHBondContact O-N 2.91Å; M280-N284 PolarHBondContact O-N 3.34Å; M280-N284 VanDerWaalsContact O-N 3.1Å; M280-N284 PolarHBondContact O-ND2 3.15Å; M280-F294 HydrophobicContact CE-CZ 4.34Å; M280-F294 HydrophobicContact SD-CE2 3.76Å; M280-F294 HydrophobicContact SD-CZ 4.13Å
281	L	98.4	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-47.6	176.1	178.1	66.1	0	0	0	111.2	I193 I219 I248 A250 F258 A277 A278 R283 N284 I285	I193-L281 HydrophobicContact CG2-CD2 4.05Å; I219-L281 HydrophobicContact CD1-CD2 4.11Å; I248-L281 HydrophobicContact CB-CD2 4.04Å; I248-L281 HydrophobicContact CG2-CD2 3.55Å; A250-L281 HydrophobicContact CB-CD1 3.85Å; A250-L281 HydrophobicContact CB-CD2 4.47Å; F258-L281 HydrophobicContact CB-CD1 4.08Å; F258-L281 WeakPolarHBondContact O-CD1 3.08Å; A277-L281 PolarHBondContact O-N 2.88Å; A278-L281 PolarHBondContact O-N 3.17Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.79Å; L281-N284 PolarHBondContact O-N 3.32Å; L281-N284 VanDerWaalsContact O-N 3.12Å; L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CD1-CG1 4.41Å; L281-I285 HydrophobicContact CD2-CD1 4.36Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.47Å; L281-I285 WeakPolarHBondContact O-CG1 3.15Å; L281-I285 PolarHBondContact O-N 2.75Å
282	L	97.8	Very high	96.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-39.9	-179.6	-68.4	171.8	0	0	0	111.4	T218 E222 I223 A278 E279 M280 N284 I285 R286	T218-L282 HydrophobicContact CG2-CD1 4.31Å; E222-L282 HydrophobicContact CB-CD2 4.27Å; I223-L282 HydrophobicContact CD1-CD2 4.14Å; I223-L282 HydrophobicContact CG1-CD2 4.44Å; A278-L282 WeakPolarHBondContact O-CG 3.36Å; A278-L282 PolarHBondContact O-N 3.07Å; E279-L282 PolarHBondContact O-N 2.74Å; M280-L282 PolarHBondContact O-N 3.49Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3.01Å; L282-I285 PolarHBondContact O-N 3.26Å; L282-I285 VanDerWaalsContact O-N 3.17Å; L282-R286 VanDerWaalsContact CB-CZ 3.48Å; L282-R286 VanDerWaalsContact O-CB 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.37Å; L282-R286 WeakPolarHBondContact O-CG 3.35Å; L282-R286 PolarHBondContact O-N 3.09Å
283	R	96.1	Very high	96.5	Very high	118 Å²	118	29 Å²	29	45%	0.445	13%	0.129	S	C	.	.	H	α-helix	trans	-57	-44.1	172.1	-74.7	-168.9	-52.3	-88.1	5.7	112.1	E279 M280 L281 I285 R286 H287	E279-R283 WeakPolarHBondContact O-CG 3.21Å; E279-R283 PolarHBondContact O-N 2.85Å; E279-R283 PolarHBondContact O-NH1 3.14Å; M280-R283 PolarHBondContact O-N 2.91Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.79Å; R283-I285 VanDerWaalsContact C-N 3.33Å; R283-I285 PolarHBondContact O-N 2.56Å; R283-R286 PolarHBondContact O-N 2.95Å; R283-H287 PolarHBondContact O-CD2 3.06Å; R283-H287 PolarHBondContact O-N 2.79Å
284	N	95.8	Very high	96.4	Very high	3 Å²	3	32 Å²	32	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-30.7	177.6	-72.8	-33.2	0	0	0	113	F258 A259 M280 L281 L282 H287 D292 E293	F258-N284 HydrophobicContact CB-CB 4.26Å; F258-N284 HydrophobicContact CD1-CB 4.37Å; A259-N284 PolarHBondContact O-ND2 3.05Å; M280-N284 PolarHBondContact O-N 3.34Å; M280-N284 VanDerWaalsContact O-N 3.1Å; M280-N284 PolarHBondContact O-ND2 3.15Å; L281-N284 PolarHBondContact O-N 3.32Å; L281-N284 VanDerWaalsContact O-N 3.12Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 3.01Å; N284-H287 PolarHBondContact O-CD2 3Å; N284-H287 PolarHBondContact O-CE1 2.84Å; N284-H287 VanDerWaalsContact O-CE1 3.32Å; N284-H287 PolarHBondContact O-NE2 3.07Å; N284-D292 HydrophobicContact CB-CB 3.83Å; N284-E293 PolarHBondContact OD1-N 3.37Å
285	I	95	Very high	96.4	Very high	18 Å²	18	32 Å²	32	9%	0.092	14%	0.142	C	C	.	.	H	α-helix	trans	-76.1	-42.3	173.9	-66.9	169.3	0	0	0	111.3	R187 I190 I223 A250 L281 L282 R283 H287 N288	R187-I285 PolarHBondContact NH1-O 3.46Å; I190-I285 HydrophobicContact CD1-CG1 4.37Å; I190-I285 HydrophobicContact CD1-CG2 4.48Å; I190-I285 HydrophobicContact CG1-CD1 4.47Å; I190-I285 HydrophobicContact CG1-CG1 4.45Å; I190-I285 HydrophobicContact CG1-CG2 3.98Å; I223-I285 HydrophobicContact CD1-CD1 4.03Å; A250-I285 HydrophobicContact CB-CD1 3.82Å; A250-I285 HydrophobicContact CB-CG1 4.31Å; L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CD1-CG1 4.41Å; L281-I285 HydrophobicContact CD2-CD1 4.36Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 HydrophobicContact CG-CG1 4.47Å; L281-I285 WeakPolarHBondContact O-CG1 3.15Å; L281-I285 PolarHBondContact O-N 2.75Å; L282-I285 PolarHBondContact O-N 3.26Å; L282-I285 VanDerWaalsContact O-N 3.17Å; R283-I285 VanDerWaalsContact C-N 3.33Å; R283-I285 PolarHBondContact O-N 2.56Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 3Å; I285-N288 PolarHBondContact O-N 3.39Å
286	R	93.3	Very high	96.3	Very high	104 Å²	104	28.9 Å²	28.9	39%	0.392	13%	0.126	S	C	.	.	H	α-helix	trans	-63.2	-32.2	-173	-75.9	170.1	-159.6	141.5	-3.1	113	E222 E279 L282 R283 N288	E222-R286 IonicContact OE1-CZ 3.4Å; E222-R286 IonicContact OE1-NE 3.76Å; E222-R286 PolarHBondContact OE1-NE 3.39Å; E222-R286 IonicContact OE1-NH2 2.85Å; E222-R286 PolarHBondContact OE1-NH2 3Å; E222-R286 IonicContact OE2-CZ 3.94Å; E222-R286 IonicContact OE2-NE 3.19Å; E222-R286 PolarHBondContact OE2-NE 3.36Å; E222-R286 IonicContact OE2-NH2 2.83Å; E222-R286 PolarHBondContact OE2-NH2 3.4Å; E279-R286 IonicContact OE2-CZ 2.72Å; E279-R286 IonicContact OE2-NH1 2.79Å; E279-R286 PolarHBondContact OE2-NH1 2.72Å; E279-R286 IonicContact OE2-NH2 3.83Å; E279-R286 PolarHBondContact OE2-NH2 2.82Å; L282-R286 VanDerWaalsContact CB-CZ 3.48Å; L282-R286 VanDerWaalsContact O-CB 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.37Å; L282-R286 WeakPolarHBondContact O-CG 3.35Å; L282-R286 PolarHBondContact O-N 3.09Å; R283-R286 PolarHBondContact O-N 2.95Å; R286-N288 PolarHBondContact O-N 3.38Å; R286-N288 VanDerWaalsContact O-N 3.12Å
287	H	91.1	Very high	96.2	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.162	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1	-178.2	73.5	60.4	0	0	0	114.1	R283 N284 I285 G289 V291 G315 T350	R283-H287 PolarHBondContact O-CD2 3.06Å; R283-H287 PolarHBondContact O-N 2.79Å; N284-H287 PolarHBondContact O-CD2 3Å; N284-H287 PolarHBondContact O-CE1 2.84Å; N284-H287 VanDerWaalsContact O-CE1 3.32Å; N284-H287 PolarHBondContact O-NE2 3.07Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 3Å; H287-G289 PolarHBondContact CE1-N 2.96Å; H287-G289 WeakPolarHBondContact ND1-CA 3.35Å; H287-G289 PolarHBondContact ND1-N 3.48Å; H287-G289 PolarHBondContact O-N 3.38Å; H287-V291 PolarHBondContact CE1-O 2.77Å; H287-V291 PolarHBondContact NE2-O 3.1Å; H287-G315 WeakPolarHBondContact ND1-CA 3.35Å; H287-G315 PolarHBondContact ND1-N 3.23Å; H287-G315 VanDerWaalsContact ND1-N 3.14Å; H287-T350 WeakPolarHBondContact O-CG2 3.18Å
288	N	91.3	Very high	96.2	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.112	12%	0.115	C	C	.	.			trans	56.5	21.4	174.1	-155.5	36.6	0	0	0	115.7	R187 I285 R286 D343 S346 T350	R187-N288 PolarHBondContact NE-OD1 2.92Å; R187-N288 VanDerWaalsContact NE-OD1 3.16Å; R187-N288 PolarHBondContact NH1-OD1 2.95Å; R187-N288 PolarHBondContact NH2-OD1 3.44Å; R187-N288 VanDerWaalsContact NH2-OD1 3.1Å; I285-N288 PolarHBondContact O-N 3.39Å; R286-N288 PolarHBondContact O-N 3.38Å; R286-N288 VanDerWaalsContact O-N 3.12Å; N288-D343 PolarHBondContact ND2-OD2 3.41Å; N288-S346 WeakPolarHBondContact ND2-CB 3.48Å; N288-S346 PolarHBondContact ND2-OG 2.96Å; N288-T350 HydrophobicContact CB-CG2 4.12Å
289	G	94.4	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.115	C	C	.	.			trans	-86.2	171.6	175.9	0	0	0	0	0	111.5	R187 F258 H287	R187-G289 WeakPolarHBondContact CD-O 3.38Å; R187-G289 VanDerWaalsContact CG-O 3.24Å; R187-G289 WeakPolarHBondContact CG-O 3.14Å; F258-G289 VanDerWaalsContact CE1-O 3.26Å; F258-G289 WeakPolarHBondContact CE1-O 3.3Å; F258-G289 WeakPolarHBondContact CZ-O 3.45Å; H287-G289 PolarHBondContact CE1-N 2.96Å; H287-G289 WeakPolarHBondContact ND1-CA 3.35Å; H287-G289 PolarHBondContact ND1-N 3.48Å; H287-G289 PolarHBondContact O-N 3.38Å
290	C	97.1	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-93.8	-11.4	177.1	-67.3	0	0	0	0	113.6	M184 R187 C256 R313	M184-C290 HydrophobicContact CB-CB 4.04Å; M184-C290 WeakPolarHBondContact O-CB 3.44Å; M184-C290 PolarHBondContact O-SG 3.47Å; R187-C290 PolarHBondContact N-SG 3.47Å; C256-C290 VanDerWaalsContact CB-O 3.3Å; C256-C290 WeakPolarHBondContact CB-O 3.35Å; C256-C290 VanDerWaalsContact SG-CB 3.58Å; C256-C290 PolarHBondContact SG-O 3.06Å; C290-R313 HydrophobicContact CB-CB 4.32Å; C290-R313 PolarHBondContact N-O 3.45Å
291	V	96.9	Very high	96.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	-136.5	148.1	176.6	-59.6	0	0	0	0	109.5	M184 H287 L295 Q296 L299 I312 T314	M184-V291 HydrophobicContact CE-CG1 3.87Å; M184-V291 HydrophobicContact SD-CG1 4.44Å; H287-V291 PolarHBondContact CE1-O 2.77Å; H287-V291 PolarHBondContact NE2-O 3.1Å; V291-L295 HydrophobicContact CB-CB 3.94Å; V291-L295 HydrophobicContact CB-CD1 4.4Å; V291-L295 HydrophobicContact CG1-CD1 4.49Å; V291-Q296 HydrophobicContact CG2-CB 4.35Å; V291-L299 HydrophobicContact CG1-CD1 3.94Å; V291-I312 HydrophobicContact CG2-CD1 4.29Å; V291-T314 HydrophobicContact CG2-CG2 3.49Å; V291-T314 VanDerWaalsContact CG2-CG2 3.49Å
292	D	96.4	Very high	96.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	10%	0.099	C	C	.	.			trans	-76.9	172.8	174.9	69.5	40.9	0	0	0	113.2	Y136 F258 A259 N284 F294 L295 Q296	Y136-D292 WeakPolarHBondContact CE2-OD2 3.48Å; Y136-D292 VanDerWaalsContact OH-CG 3.29Å; Y136-D292 PolarHBondContact OH-OD1 2.88Å; Y136-D292 PolarHBondContact OH-OD2 2.84Å; F258-D292 HydrophobicContact CB-CB 4.49Å; F258-D292 HydrophobicContact CD1-CB 4.11Å; A259-D292 PolarHBondContact N-OD2 3.2Å; N284-D292 HydrophobicContact CB-CB 3.83Å; D292-F294 PolarHBondContact O-N 3.5Å; D292-F294 VanDerWaalsContact O-N 3.15Å; D292-F294 PolarHBondContact OD1-N 2.71Å; D292-L295 PolarHBondContact O-N 2.92Å; D292-L295 PolarHBondContact OD1-N 2.71Å; D292-Q296 PolarHBondContact O-N 2.88Å
293	E	93.9	Very high	96.3	Very high	65 Å²	65	23 Å²	23	30%	0.304	10%	0.099	S	C	.	.	H	α-helix	trans	-58.7	-25.7	-175.4	68.8	179.1	128.6	0	0	114.7	N284 T318	N284-E293 PolarHBondContact OD1-N 3.37Å; E293-T318 HydrophobicContact CB-CG2 4.08Å
294	F	96.8	Very high	96.4	Very high	66 Å²	66	17.3 Å²	17.3	29%	0.289	8%	0.078	S	C	.	.	H	α-helix	trans	-94.9	-33.4	-178.6	-52.4	-66.3	0	0	0	112.6	Y136 M280 D292 Q296 D297 Q298	Y136-F294 HydrophobicContact CE2-CD2 4.43Å; Y136-F294 WeakPolarHBondContact OH-CB 3.42Å; M280-F294 HydrophobicContact CE-CZ 4.34Å; M280-F294 HydrophobicContact SD-CE2 3.76Å; M280-F294 HydrophobicContact SD-CZ 4.13Å; D292-F294 PolarHBondContact O-N 3.5Å; D292-F294 VanDerWaalsContact O-N 3.15Å; D292-F294 PolarHBondContact OD1-N 2.71Å; F294-Q296 PolarHBondContact O-N 3.39Å; F294-D297 VanDerWaalsContact O-OD2 3.05Å; F294-Q298 VanDerWaalsContact O-CD 3.28Å; F294-Q298 WeakPolarHBondContact O-CG 3.48Å; F294-Q298 PolarHBondContact O-N 3.19Å; F294-Q298 PolarHBondContact O-NE2 3.35Å; F294-Q298 VanDerWaalsContact O-NE2 3.14Å
295	L	97.6	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-35.1	171.4	-99	177.2	0	0	0	109.8	Y136 V140 F141 I144 V291 D292 D297 Q298 L299	Y136-L295 VanDerWaalsContact OH-CG 3.3Å; Y136-L295 WeakPolarHBondContact OH-CG 3.48Å; Y136-L295 PolarHBondContact OH-N 2.84Å; V140-L295 HydrophobicContact CG1-CD1 3.51Å; V140-L295 HydrophobicContact CG1-CG 3.91Å; F141-L295 HydrophobicContact CD2-CD2 4.21Å; I144-L295 HydrophobicContact CB-CD2 4.25Å; I144-L295 HydrophobicContact CG1-CD1 3.89Å; I144-L295 HydrophobicContact CG1-CD2 4.48Å; I144-L295 HydrophobicContact CG2-CD2 4.35Å; V291-L295 HydrophobicContact CB-CB 3.94Å; V291-L295 HydrophobicContact CB-CD1 4.4Å; V291-L295 HydrophobicContact CG1-CD1 4.49Å; D292-L295 PolarHBondContact O-N 2.92Å; D292-L295 PolarHBondContact OD1-N 2.71Å; L295-D297 VanDerWaalsContact C-N 3.33Å; L295-D297 PolarHBondContact O-N 2.72Å; L295-Q298 PolarHBondContact O-N 3.49Å; L295-L299 HydrophobicContact CD2-CD1 4.38Å; L295-L299 HydrophobicContact CD2-CD2 4.15Å; L295-L299 HydrophobicContact CD2-CG 4.15Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.33Å
296	Q	97	Very high	96.7	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-50.5	-49.6	-178.4	-169	-172.3	61.9	0	0	112.4	V291 D292 F294 I300 T314 A316 T321 I353	V291-Q296 HydrophobicContact CG2-CB 4.35Å; D292-Q296 PolarHBondContact O-N 2.88Å; F294-Q296 PolarHBondContact O-N 3.39Å; Q296-I300 WeakPolarHBondContact O-CG1 3.22Å; Q296-T314 HydrophobicContact CB-CG2 4.44Å; Q296-T314 HydrophobicContact CG-CG2 3.67Å; Q296-T314 PolarHBondContact NE2-OG1 3.47Å; Q296-A316 PolarHBondContact NE2-O 2.82Å; Q296-T321 HydrophobicContact CG-CG2 3.61Å; Q296-T321 WeakPolarHBondContact CG-OG1 3.49Å; Q296-T321 VanDerWaalsContact OE1-CB 3.32Å; Q296-T321 PolarHBondContact OE1-OG1 3.17Å; Q296-I353 HydrophobicContact CG-CD1 3.89Å
297	D	97.5	Very high	96.9	Very high	15 Å²	15	16.4 Å²	16.4	8%	0.08	8%	0.076	C	C	.	.	H	α-helix	trans	-79.8	-32.4	-179.6	70.9	88.2	0	0	0	112.9	Q18 F294 L295 L299 I300 H320 T321	Q18-D297 PolarHBondContact NE2-OD1 3.27Å; F294-D297 VanDerWaalsContact O-OD2 3.05Å; L295-D297 VanDerWaalsContact C-N 3.33Å; L295-D297 PolarHBondContact O-N 2.72Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.4Å; D297-I300 PolarHBondContact O-N 2.92Å; D297-H320 HydrophobicContact CB-CB 3.9Å; D297-T321 PolarHBondContact N-OG1 3.12Å
298	Q	98.4	Very high	97.3	Very high	14 Å²	14	16 Å²	16	7%	0.065	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-31	-179.3	-72.4	171.3	38.4	0	0	113	Q105 F141 F294 L295 F302	Q105-Q298 VanDerWaalsContact NE2-CD 3.35Å; F141-Q298 HydrophobicContact CD2-CB 4.07Å; F141-Q298 HydrophobicContact CE2-CB 3.98Å; F294-Q298 VanDerWaalsContact O-CD 3.28Å; F294-Q298 WeakPolarHBondContact O-CG 3.48Å; F294-Q298 PolarHBondContact O-N 3.19Å; F294-Q298 PolarHBondContact O-NE2 3.35Å; F294-Q298 VanDerWaalsContact O-NE2 3.14Å; L295-Q298 PolarHBondContact O-N 3.49Å; Q298-F302 WeakPolarHBondContact O-CD2 3.28Å; Q298-F302 WeakPolarHBondContact O-CE2 3.43Å
299	L	98.7	Very high	97.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.7	-178.8	-64.7	-180	0	0	0	113.8	I144 V145 F148 V291 L295 D297 I301 F302 M303 I312	I144-L299 HydrophobicContact CG2-CD1 3.83Å; I144-L299 HydrophobicContact CG2-CD2 3.83Å; I144-L299 HydrophobicContact CG2-CG 4.44Å; V145-L299 HydrophobicContact CG1-CD2 3.89Å; F148-L299 HydrophobicContact CE2-CD2 3.98Å; V291-L299 HydrophobicContact CG1-CD1 3.94Å; L295-L299 HydrophobicContact CD2-CD1 4.38Å; L295-L299 HydrophobicContact CD2-CD2 4.15Å; L295-L299 HydrophobicContact CD2-CG 4.15Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.33Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.4Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 3.39Å; L299-F302 PolarHBondContact O-N 3.48Å; L299-M303 WeakPolarHBondContact O-CG 3.5Å; L299-M303 PolarHBondContact O-N 3.46Å; L299-I312 HydrophobicContact CD1-CD1 4.5Å; L299-I312 HydrophobicContact CD1-CG2 4.44Å
300	I	98.8	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.7	-43.3	-172.9	-63.2	-54.9	0	0	0	112.6	Q296 D297 F302 M303 A304 T321 A324 I325 A328 F336 I353	Q296-I300 WeakPolarHBondContact O-CG1 3.22Å; D297-I300 PolarHBondContact O-N 2.92Å; I300-F302 VanDerWaalsContact C-N 3.32Å; I300-F302 PolarHBondContact O-N 3.14Å; I300-M303 HydrophobicContact CD1-SD 4.26Å; I300-M303 PolarHBondContact O-N 2.91Å; I300-A304 WeakPolarHBondContact O-CB 3.23Å; I300-A304 PolarHBondContact O-N 3.44Å; I300-T321 HydrophobicContact CD1-CG2 3.96Å; I300-T321 HydrophobicContact CG1-CG2 4.09Å; I300-A324 HydrophobicContact CB-CB 3.85Å; I300-A324 HydrophobicContact CG1-CB 4.04Å; I300-A324 HydrophobicContact CG2-CB 3.87Å; I300-I325 HydrophobicContact CD1-CD1 4.08Å; I300-I325 HydrophobicContact CD1-CG1 3.76Å; I300-I325 HydrophobicContact CG1-CG1 4.12Å; I300-I325 HydrophobicContact CG2-CB 4.5Å; I300-I325 HydrophobicContact CG2-CG1 3.84Å; I300-A328 HydrophobicContact CG2-CB 4.19Å; I300-F336 HydrophobicContact CD1-CE1 3.92Å; I300-F336 HydrophobicContact CG2-CE1 3.96Å; I300-F336 HydrophobicContact CG2-CE2 4.34Å; I300-F336 HydrophobicContact CG2-CZ 3.63Å; I300-I353 HydrophobicContact CD1-CG2 4.29Å
301	I	98.6	Very high	97.9	Very high	14 Å²	14	21.5 Å²	21.5	7%	0.072	10%	0.104	C	C	.	.	H	α-helix	trans	-63.4	-38.5	178.4	-171.8	163.5	0	0	0	111.9	A25 L26 P109 L299 A304 L305	A25-I301 HydrophobicContact CB-CD1 3.76Å; L26-I301 HydrophobicContact CD2-CD1 3.96Å; L26-I301 HydrophobicContact CD2-CG1 3.84Å; L26-I301 HydrophobicContact CG-CD1 3.99Å; L26-I301 HydrophobicContact CG-CG1 4.29Å; P109-I301 HydrophobicContact CB-CD1 3.91Å; P109-I301 HydrophobicContact CG-CD1 3.95Å; P109-I301 HydrophobicContact CG-CG2 4.25Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 3.39Å; I301-A304 PolarHBondContact O-N 3.44Å; I301-L305 HydrophobicContact CG1-CD1 3.9Å; I301-L305 HydrophobicContact CG1-CG 4.5Å; I301-L305 WeakPolarHBondContact O-CB 3.41Å; I301-L305 VanDerWaalsContact O-CG 3.24Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 2.96Å; I301-L305 VanDerWaalsContact O-N 3.12Å
302	F	98.8	Very high	98	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-70.9	-40	178.1	-59.4	-82.9	0	0	0	111.3	L108 P109 L112 F141 V145 F148 V150 L179 Q298 L299 I300 A304 L305 A306	L108-F302 HydrophobicContact CD2-CZ 4.47Å; P109-F302 HydrophobicContact CG-CZ 4.15Å; L112-F302 HydrophobicContact CD1-CE1 3.89Å; F141-F302 AromaticContact CE2-CE2 3.82Å; F141-F302 HydrophobicContact CE2-CE2 3.82Å; F141-F302 HydrophobicContact CE2-CZ 4.41Å; F141-F302 AromaticContact CZ-CE2 3.66Å; F141-F302 HydrophobicContact CZ-CE2 3.66Å; F141-F302 AromaticContact CZ-CZ 3.79Å; F141-F302 HydrophobicContact CZ-CZ 3.79Å; V145-F302 HydrophobicContact CG1-CD2 4.07Å; V145-F302 HydrophobicContact CG1-CE2 3.92Å; V145-F302 HydrophobicContact CG1-CG 4.46Å; V145-F302 HydrophobicContact CG1-CZ 4.18Å; F148-F302 HydrophobicContact CD1-CB 3.8Å; F148-F302 HydrophobicContact CD2-CB 4.42Å; F148-F302 HydrophobicContact CE1-CB 3.77Å; F148-F302 HydrophobicContact CE2-CB 4.38Å; F148-F302 HydrophobicContact CG-CB 4.13Å; F148-F302 HydrophobicContact CZ-CB 4.05Å; V150-F302 HydrophobicContact CG2-CD1 4.15Å; V150-F302 HydrophobicContact CG2-CE1 4.11Å; L179-F302 HydrophobicContact CD1-CD1 4.13Å; L179-F302 HydrophobicContact CD2-CD1 4.37Å; Q298-F302 WeakPolarHBondContact O-CD2 3.28Å; Q298-F302 WeakPolarHBondContact O-CE2 3.43Å; L299-F302 PolarHBondContact O-N 3.48Å; I300-F302 VanDerWaalsContact C-N 3.32Å; I300-F302 PolarHBondContact O-N 3.14Å; F302-A304 VanDerWaalsContact C-N 3.35Å; F302-A304 PolarHBondContact O-N 3.43Å; F302-L305 PolarHBondContact O-N 2.97Å; F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.41Å; F302-A306 PolarHBondContact O-N 3.47Å
303	M	98.8	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-43.3	173.2	-66.4	175.8	72.8	0	0	111.8	F148 L299 I300 L305 I312 F336 I353 C355 G357	F148-M303 HydrophobicContact CE1-CG 4.05Å; F148-M303 HydrophobicContact CZ-CG 3.92Å; L299-M303 WeakPolarHBondContact O-CG 3.5Å; L299-M303 PolarHBondContact O-N 3.46Å; I300-M303 HydrophobicContact CD1-SD 4.26Å; I300-M303 PolarHBondContact O-N 2.91Å; M303-L305 VanDerWaalsContact C-N 3.32Å; M303-L305 PolarHBondContact O-N 3.24Å; M303-I312 HydrophobicContact CE-CD1 4.41Å; M303-I312 HydrophobicContact CE-CG1 4.07Å; M303-I312 HydrophobicContact CE-CG2 4.47Å; M303-I312 HydrophobicContact SD-CD1 3.68Å; M303-I312 HydrophobicContact SD-CG1 3.98Å; M303-I312 HydrophobicContact SD-CG2 4.25Å; M303-F336 HydrophobicContact CB-CE1 4.19Å; M303-F336 HydrophobicContact CB-CZ 4.3Å; M303-F336 HydrophobicContact CE-CE1 4.48Å; M303-I353 HydrophobicContact CE-CG2 4.23Å; M303-I353 WeakPolarHBondContact CE-O 3.08Å; M303-C355 HydrophobicContact CB-CB 3.88Å; M303-C355 HydrophobicContact CE-CB 3.79Å; M303-C355 PolarHBondContact O-SG 3.46Å; M303-G357 WeakPolarHBondContact O-CA 3.42Å
304	A	98.8	Very high	98.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-33.3	179.8	0	0	0	0	0	113.1	I300 I301 F302 A328 A334 F336 S358	I300-A304 WeakPolarHBondContact O-CB 3.23Å; I300-A304 PolarHBondContact O-N 3.44Å; I301-A304 PolarHBondContact O-N 3.44Å; F302-A304 VanDerWaalsContact C-N 3.35Å; F302-A304 PolarHBondContact O-N 3.43Å; A304-A328 HydrophobicContact CB-CB 3.83Å; A304-A334 HydrophobicContact CB-CB 3.81Å; A304-F336 HydrophobicContact CB-CE2 4.01Å; A304-F336 HydrophobicContact CB-CZ 3.96Å; A304-S358 WeakPolarHBondContact O-CB 3.44Å; A304-S358 PolarHBondContact O-N 3.12Å; A304-S358 PolarHBondContact O-OG 3.01Å
305	L	98.6	Very high	98	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-89.1	-24	-178.7	-66.6	171.8	0	0	0	113.3	L26 I29 Y113 L179 I301 F302 M303 G359 V360	L26-L305 HydrophobicContact CD2-CD1 4.33Å; L26-L305 HydrophobicContact CD2-CD2 3.94Å; L26-L305 HydrophobicContact CD2-CG 4.18Å; I29-L305 HydrophobicContact CD1-CD1 3.63Å; I29-L305 HydrophobicContact CG2-CD1 4.47Å; I29-L305 HydrophobicContact CG2-CD2 3.91Å; Y113-L305 HydrophobicContact CE2-CD1 4.23Å; L179-L305 HydrophobicContact CD1-CB 3.64Å; L179-L305 HydrophobicContact CD1-CD1 4.35Å; I301-L305 HydrophobicContact CG1-CD1 3.9Å; I301-L305 HydrophobicContact CG1-CG 4.5Å; I301-L305 WeakPolarHBondContact O-CB 3.41Å; I301-L305 VanDerWaalsContact O-CG 3.24Å; I301-L305 WeakPolarHBondContact O-CG 3.36Å; I301-L305 PolarHBondContact O-N 2.96Å; I301-L305 VanDerWaalsContact O-N 3.12Å; F302-L305 PolarHBondContact O-N 2.97Å; M303-L305 VanDerWaalsContact C-N 3.32Å; M303-L305 PolarHBondContact O-N 3.24Å; L305-G359 PolarHBondContact O-N 3Å; L305-V360 HydrophobicContact CD2-CB 4.13Å; L305-V360 HydrophobicContact CD2-CG2 3.56Å; L305-V360 PolarHBondContact O-N 3Å; L305-V360 VanDerWaalsContact O-N 3.09Å
306	A	98.5	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-58.9	151.2	-179.4	0	0	0	0	0	113.5	F148 L179 P181 F302 G357 G359	F148-A306 HydrophobicContact CD1-CB 4.28Å; L179-A306 HydrophobicContact CB-CB 4.11Å; L179-A306 WeakPolarHBondContact O-CA 3.28Å; P181-A306 HydrophobicContact CB-CB 4.46Å; F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.41Å; F302-A306 PolarHBondContact O-N 3.47Å; A306-G357 CarbonylContact O-C 3.44Å; A306-G357 VanDerWaalsContact O-C 3.31Å; A306-G357 VanDerWaalsContact O-CA 3.25Å; A306-G357 WeakPolarHBondContact O-CA 3.46Å; A306-G359 WeakPolarHBondContact O-CA 3.43Å; A306-G359 PolarHBondContact O-N 3.03Å
307	K	97.8	Very high	97.7	Very high	105 Å²	105	22.3 Å²	22.3	46%	0.457	12%	0.123	S	C	.	.	S	Bend	trans	-89.1	107.2	176.3	-177.7	179.3	178.1	-177.2	0	110.8	E178 L179 P181	E178-K307 VanDerWaalsContact CD-CD 3.43Å; E178-K307 VanDerWaalsContact OE1-CD 3.32Å; E178-K307 WeakPolarHBondContact OE1-CD 3.39Å; E178-K307 IonicContact OE1-NZ 2.87Å; E178-K307 PolarHBondContact OE1-NZ 3.43Å; E178-K307 WeakPolarHBondContact OE2-CD 3.34Å; E178-K307 IonicContact OE2-NZ 2.88Å; E178-K307 PolarHBondContact OE2-NZ 3.32Å; L179-K307 PolarHBondContact O-N 3.29Å; P181-K307 WeakPolarHBondContact CD-O 3.27Å; P181-K307 VanDerWaalsContact CG-O 3.31Å; P181-K307 WeakPolarHBondContact CG-O 3.35Å
308	G	97.9	Very high	97.7	Very high	25 Å²	25	23.1 Å²	23.1	26%	0.258	13%	0.128	S	C	.	.	S	Bend	trans	110.4	-157.2	-179.5	0	0	0	0	0	112.1	G357	G308-G357 PolarHBondContact O-N 3.27Å
309	T	98.7	Very high	97.5	Very high	44 Å²	44	26.4 Å²	26.4	27%	0.27	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	-171.6	-43.7	0	0	0	0	111.5	P181 E354 C355 Q356	P181-T309 WeakPolarHBondContact CB-O 3.42Å; T309-E354 HydrophobicContact CG2-CG 3.58Å; T309-C355 CarbonylContact C-O 3.57Å; T309-C355 VanDerWaalsContact CA-O 3.27Å; T309-C355 WeakPolarHBondContact CA-O 3.32Å; T309-Q356 PolarHBondContact OG1-OE1 3.38Å
310	S	98.8	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.1	170.8	-62.7	0	0	0	0	111.3	P181 V182 E354 C355	P181-S310 WeakPolarHBondContact CA-OG 3.42Å; V182-S310 PolarHBondContact N-OG 3.1Å; V182-S310 CarbonylContact O-C 3.53Å; V182-S310 WeakPolarHBondContact O-CA 3.11Å; S310-E354 CarbonylContact O-C 3.55Å; S310-E354 WeakPolarHBondContact O-CA 3.31Å; S310-C355 PolarHBondContact N-O 2.85Å; S310-C355 PolarHBondContact O-N 2.95Å
311	R	98.6	Very high	97.4	Very high	93 Å²	93	30 Å²	30	35%	0.351	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127	176.1	-67.6	178.3	178	91.7	9.4	110.5	V182 S183 M184 T185 I352 I353 E354	V182-R311 PolarHBondContact O-N 2.85Å; S183-R311 CarbonylContact C-O 3.59Å; S183-R311 WeakPolarHBondContact CA-O 3.26Å; M184-R311 PolarHBondContact N-O 2.89Å; T185-R311 HydrophobicContact CG2-CB 3.81Å; R311-I352 HydrophobicContact CB-CG2 4.37Å; R311-I353 WeakPolarHBondContact CA-O 3.35Å; R311-E354 HydrophobicContact CG-CB 4.28Å; R311-E354 HydrophobicContact CG-CG 3.99Å; R311-E354 IonicContact CZ-OE2 3.32Å; R311-E354 IonicContact NE-OE2 3.96Å; R311-E354 PolarHBondContact NE-OE2 3.31Å; R311-E354 IonicContact NH2-OE1 3.64Å; R311-E354 IonicContact NH2-OE2 2.71Å; R311-E354 PolarHBondContact NH2-OE2 3.46Å
312	I	98.3	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.1	171.7	61.8	176.3	0	0	0	109.9	V182 M184 V291 L299 M303 T314 I352 I353	V182-I312 HydrophobicContact CG2-CG2 4.33Å; M184-I312 HydrophobicContact CB-CG2 4.32Å; M184-I312 WeakPolarHBondContact O-CA 3Å; V291-I312 HydrophobicContact CG2-CD1 4.29Å; L299-I312 HydrophobicContact CD1-CD1 4.5Å; L299-I312 HydrophobicContact CD1-CG2 4.44Å; M303-I312 HydrophobicContact CE-CD1 4.41Å; M303-I312 HydrophobicContact CE-CG1 4.07Å; M303-I312 HydrophobicContact CE-CG2 4.47Å; M303-I312 HydrophobicContact SD-CD1 3.68Å; M303-I312 HydrophobicContact SD-CG1 3.98Å; M303-I312 HydrophobicContact SD-CG2 4.25Å; I312-T314 HydrophobicContact CD1-CG2 4.13Å; I312-T314 HydrophobicContact CG1-CG2 4.08Å; I312-I352 WeakPolarHBondContact O-CA 3.35Å; I312-I353 HydrophobicContact CD1-CB 4.46Å; I312-I353 HydrophobicContact CD1-CD1 4.43Å; I312-I353 HydrophobicContact CG1-CB 3.87Å; I312-I353 PolarHBondContact N-O 3.5Å; I312-I353 PolarHBondContact O-N 3.02Å
313	R	97.3	Very high	97.2	Very high	51 Å²	51	32.9 Å²	32.9	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.8	169.4	-175.4	-178.1	-71.9	163.4	2.1	109.3	M184 T185 C290 Y351 I352	M184-R313 PolarHBondContact O-N 3.14Å; T185-R313 PolarHBondContact O-NE 3.35Å; T185-R313 VanDerWaalsContact O-NE 3.12Å; T185-R313 PolarHBondContact O-NH1 2.88Å; T185-R313 PolarHBondContact O-NH2 3.27Å; C290-R313 HydrophobicContact CB-CB 4.32Å; C290-R313 PolarHBondContact N-O 3.45Å; R313-Y351 CarbonylContact C-O 3.56Å; R313-Y351 WeakPolarHBondContact CA-O 3.36Å; R313-I352 HydrophobicContact CB-CD1 3.54Å; R313-I352 HydrophobicContact CG-CD1 3.8Å
314	T	96	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	166.2	-176.4	67.9	0	0	0	0	111.1	V291 Q296 I312 T350 Y351 I353	V291-T314 HydrophobicContact CG2-CG2 3.49Å; V291-T314 VanDerWaalsContact CG2-CG2 3.49Å; Q296-T314 HydrophobicContact CB-CG2 4.44Å; Q296-T314 HydrophobicContact CG-CG2 3.67Å; Q296-T314 PolarHBondContact NE2-OG1 3.47Å; I312-T314 HydrophobicContact CD1-CG2 4.13Å; I312-T314 HydrophobicContact CG1-CG2 4.08Å; T314-T350 VanDerWaalsContact O-CA 3.32Å; T314-T350 WeakPolarHBondContact O-CA 3.43Å; T314-T350 WeakPolarHBondContact O-CB 3.44Å; T314-Y351 PolarHBondContact N-O 3.42Å; T314-Y351 PolarHBondContact O-N 2.98Å; T314-I353 HydrophobicContact CG2-CD1 4.04Å; T314-I353 HydrophobicContact CG2-CG1 4.39Å
315	G	94.3	Very high	97.2	Very high	5 Å²	5	33.6 Å²	33.6	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	-69.2	-155.2	158	0	0	0	0	0	111.5	H287 V317 Y351	H287-G315 WeakPolarHBondContact ND1-CA 3.35Å; H287-G315 PolarHBondContact ND1-N 3.23Å; H287-G315 VanDerWaalsContact ND1-N 3.14Å; G315-V317 PolarHBondContact O-N 3.06Å; G315-Y351 WeakPolarHBondContact O-CD2 3.22Å
316	A	93.7	Very high	97.1	Very high	74 Å²	74	36.3 Å²	36.3	61%	0.612	19%	0.192	S	C	*	.	S	Bend	trans	-51.4	137	174.4	0	0	0	0	0	111.6	Q296 T318	Q296-A316 PolarHBondContact NE2-O 2.82Å; A316-T318 PolarHBondContact O-N 3.17Å
317	V	95.8	Very high	97.1	Very high	24 Å²	24	36.4 Å²	36.4	15%	0.145	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-75.4	116.3	-179.8	-172.7	0	0	0	0	109.5	G315 T321 Q322 I338 Y351 I353	G315-V317 PolarHBondContact O-N 3.06Å; V317-T321 HydrophobicContact CG1-CG2 3.76Å; V317-Q322 HydrophobicContact CG1-CG 3.79Å; V317-Q322 PolarHBondContact O-NE2 3.41Å; V317-I338 HydrophobicContact CG1-CD1 4.13Å; V317-I338 HydrophobicContact CG2-CD1 4.35Å; V317-I338 HydrophobicContact CG2-CG2 3.92Å; V317-Y351 HydrophobicContact CG2-CD1 4.48Å; V317-Y351 HydrophobicContact CG2-CD2 4.28Å; V317-Y351 HydrophobicContact CG2-CG 4.02Å; V317-I353 HydrophobicContact CG1-CD1 4.43Å; V317-I353 HydrophobicContact CG2-CD1 4.45Å
318	T	95.9	Very high	97.1	Very high	31 Å²	31	31.4 Å²	31.4	19%	0.19	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-71.4	158.4	-178.7	75.8	0	0	0	0	111.5	E293 A316 H320 T321 Q322	E293-T318 HydrophobicContact CB-CG2 4.08Å; A316-T318 PolarHBondContact O-N 3.17Å; T318-H320 PolarHBondContact O-N 3.37Å; T318-H320 PolarHBondContact OG1-N 3.36Å; T318-T321 WeakPolarHBondContact O-CB 3.35Å; T318-T321 PolarHBondContact O-N 3.05Å; T318-T321 PolarHBondContact OG1-N 3.5Å; T318-T321 VanDerWaalsContact OG1-N 3.16Å; T318-T321 PolarHBondContact OG1-OG1 3.34Å; T318-Q322 WeakPolarHBondContact O-CG 3.33Å; T318-Q322 PolarHBondContact O-N 3.05Å
319	L	95.8	Very high	97.1	Very high	83 Å²	83	33.3 Å²	33.3	44%	0.435	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-31.3	175	-172.7	61.8	0	0	0	112.3	M13 E14 Q322 T323	M13-L319 HydrophobicContact CB-CD1 4.27Å; E14-L319 HydrophobicContact CB-CD2 4.13Å; E14-L319 HydrophobicContact CB-CG 3.99Å; E14-L319 HydrophobicContact CG-CD2 4.49Å; L319-Q322 PolarHBondContact O-N 3.5Å; L319-T323 WeakPolarHBondContact O-CB 3.38Å; L319-T323 PolarHBondContact O-N 3.36Å; L319-T323 PolarHBondContact O-OG1 3.48Å
320	H	96.3	Very high	96.9	Very high	76 Å²	76	35.1 Å²	35.1	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-47.1	173.4	-70.4	93.2	0	0	0	110.8	E14 Q18 D297 T318 Q322 T323 A324	E14-H320 IonicContact OE1-CD2 3.85Å; E14-H320 IonicContact OE1-CE1 3.06Å; E14-H320 IonicContact OE1-NE2 2.65Å; E14-H320 PolarHBondContact OE1-NE2 3.38Å; E14-H320 IonicContact OE2-CD2 2.82Å; E14-H320 PolarHBondContact OE2-CD2 3.36Å; E14-H320 IonicContact OE2-NE2 2.76Å; Q18-H320 PolarHBondContact OE1-CD2 3.13Å; Q18-H320 PolarHBondContact OE1-O 3.35Å; D297-H320 HydrophobicContact CB-CB 3.9Å; T318-H320 PolarHBondContact O-N 3.37Å; T318-H320 PolarHBondContact OG1-N 3.36Å; H320-Q322 PolarHBondContact O-N 2.96Å; H320-T323 WeakPolarHBondContact O-CB 3.41Å; H320-T323 PolarHBondContact O-N 3.45Å; H320-A324 PolarHBondContact O-N 2.88Å
321	T	97.8	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-46.7	176.4	-57.2	0	0	0	0	112	Q296 D297 I300 V317 T318 T323 A324 I325 I353	Q296-T321 HydrophobicContact CG-CG2 3.61Å; Q296-T321 WeakPolarHBondContact CG-OG1 3.49Å; Q296-T321 VanDerWaalsContact OE1-CB 3.32Å; Q296-T321 PolarHBondContact OE1-OG1 3.17Å; D297-T321 PolarHBondContact N-OG1 3.12Å; I300-T321 HydrophobicContact CD1-CG2 3.96Å; I300-T321 HydrophobicContact CG1-CG2 4.09Å; V317-T321 HydrophobicContact CG1-CG2 3.76Å; T318-T321 WeakPolarHBondContact O-CB 3.35Å; T318-T321 PolarHBondContact O-N 3.05Å; T318-T321 PolarHBondContact OG1-N 3.5Å; T318-T321 VanDerWaalsContact OG1-N 3.16Å; T318-T321 PolarHBondContact OG1-OG1 3.34Å; T321-T323 VanDerWaalsContact C-N 3.27Å; T321-T323 PolarHBondContact O-N 3.13Å; T321-A324 PolarHBondContact O-N 3.27Å; T321-I325 HydrophobicContact CG2-CD1 4.04Å; T321-I325 WeakPolarHBondContact O-CG1 3.48Å; T321-I325 PolarHBondContact O-N 2.84Å; T321-I353 HydrophobicContact CG2-CD1 3.67Å
322	Q	97.7	Very high	96.7	Very high	79 Å²	79	32 Å²	32	37%	0.369	17%	0.169	S	C	.	.	H	α-helix	trans	-60.2	-39.7	176.7	-66.5	175.2	14.5	0	0	111.6	V317 T318 L319 H320 I325 H326	V317-Q322 HydrophobicContact CG1-CG 3.79Å; V317-Q322 PolarHBondContact O-NE2 3.41Å; T318-Q322 WeakPolarHBondContact O-CG 3.33Å; T318-Q322 PolarHBondContact O-N 3.05Å; L319-Q322 PolarHBondContact O-N 3.5Å; H320-Q322 PolarHBondContact O-N 2.96Å; Q322-I325 PolarHBondContact O-N 2.6Å; Q322-H326 WeakPolarHBondContact O-CB 3.45Å; Q322-H326 PolarHBondContact O-N 2.88Å
323	T	96.7	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176	-55.4	0	0	0	0	111.3	M13 E14 I19 L319 H320 T321 I325 H326 I327	M13-T323 HydrophobicContact CB-CG2 4.17Å; M13-T323 WeakPolarHBondContact CB-OG1 3.33Å; E14-T323 HydrophobicContact CB-CG2 4.47Å; E14-T323 WeakPolarHBondContact CB-OG1 3.45Å; E14-T323 PolarHBondContact N-OG1 3Å; I19-T323 HydrophobicContact CD1-CG2 3.9Å; I19-T323 HydrophobicContact CG1-CG2 3.4Å; L319-T323 WeakPolarHBondContact O-CB 3.38Å; L319-T323 PolarHBondContact O-N 3.36Å; L319-T323 PolarHBondContact O-OG1 3.48Å; H320-T323 WeakPolarHBondContact O-CB 3.41Å; H320-T323 PolarHBondContact O-N 3.45Å; T321-T323 VanDerWaalsContact C-N 3.27Å; T321-T323 PolarHBondContact O-N 3.13Å; T323-I325 VanDerWaalsContact C-N 3.33Å; T323-I325 PolarHBondContact O-N 2.74Å; T323-H326 PolarHBondContact O-N 2.86Å; T323-I327 WeakPolarHBondContact O-CG1 3.46Å; T323-I327 PolarHBondContact O-N 3.23Å
324	A	98.1	Very high	96.6	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-41	177.9	0	0	0	0	0	111.8	I300 H320 T321 A328	I300-A324 HydrophobicContact CB-CB 3.85Å; I300-A324 HydrophobicContact CG1-CB 4.04Å; I300-A324 HydrophobicContact CG2-CB 3.87Å; H320-A324 PolarHBondContact O-N 2.88Å; T321-A324 PolarHBondContact O-N 3.27Å; A324-A328 VanDerWaalsContact O-CB 3.25Å; A324-A328 WeakPolarHBondContact O-CB 3.2Å; A324-A328 PolarHBondContact O-N 3.35Å
325	I	98.4	Very high	96.7	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-49.6	175.5	-72.1	171.3	0	0	0	109.9	I300 T321 Q322 T323 I327 A328 E329 F336 I338 I353	I300-I325 HydrophobicContact CD1-CD1 4.08Å; I300-I325 HydrophobicContact CD1-CG1 3.76Å; I300-I325 HydrophobicContact CG1-CG1 4.12Å; I300-I325 HydrophobicContact CG2-CB 4.5Å; I300-I325 HydrophobicContact CG2-CG1 3.84Å; T321-I325 HydrophobicContact CG2-CD1 4.04Å; T321-I325 WeakPolarHBondContact O-CG1 3.48Å; T321-I325 PolarHBondContact O-N 2.84Å; Q322-I325 PolarHBondContact O-N 2.6Å; T323-I325 VanDerWaalsContact C-N 3.33Å; T323-I325 PolarHBondContact O-N 2.74Å; I325-I327 VanDerWaalsContact C-N 3.34Å; I325-I327 PolarHBondContact O-N 3.31Å; I325-A328 PolarHBondContact O-N 3.38Å; I325-A328 VanDerWaalsContact O-N 3.14Å; I325-E329 HydrophobicContact CG2-CG 4.31Å; I325-E329 WeakPolarHBondContact O-CG 3.2Å; I325-E329 PolarHBondContact O-N 3.49Å; I325-F336 HydrophobicContact CB-CG 4.37Å; I325-F336 HydrophobicContact CD1-CB 4.44Å; I325-F336 HydrophobicContact CD1-CD1 4.05Å; I325-F336 HydrophobicContact CD1-CG 4.37Å; I325-F336 HydrophobicContact CG1-CB 4.44Å; I325-F336 HydrophobicContact CG1-CD1 3.79Å; I325-F336 HydrophobicContact CG1-CD2 4.46Å; I325-F336 HydrophobicContact CG1-CE1 4.1Å; I325-F336 HydrophobicContact CG1-CG 3.99Å; I325-F336 HydrophobicContact CG2-CB 3.57Å; I325-F336 HydrophobicContact CG2-CD1 4.37Å; I325-F336 HydrophobicContact CG2-CD2 3.88Å; I325-F336 HydrophobicContact CG2-CG 3.69Å; I325-I338 HydrophobicContact CD1-CD1 4.01Å; I325-I338 HydrophobicContact CD1-CG1 4.49Å; I325-I353 HydrophobicContact CD1-CG2 4.11Å
326	H	97.4	Very high	96.9	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.269	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-46.6	-179.9	-179.8	73.8	0	0	0	112.5	M13 Q322 T323 Q330	M13-H326 HydrophobicContact CE-CB 4.34Å; Q322-H326 WeakPolarHBondContact O-CB 3.45Å; Q322-H326 PolarHBondContact O-N 2.88Å; T323-H326 PolarHBondContact O-N 2.86Å; H326-Q330 PolarHBondContact CE1-NE2 3.09Å; H326-Q330 PolarHBondContact NE2-NE2 2.65Å; H326-Q330 WeakPolarHBondContact O-CG 3.39Å; H326-Q330 PolarHBondContact O-N 3.15Å
327	I	97.6	Very high	97.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-40	178	-62	-57.4	0	0	0	111.4	I8 I19 V22 S23 L26 T323 I325 Q330 L331	I8-I327 HydrophobicContact CG2-CD1 3.67Å; I19-I327 HydrophobicContact CG1-CG1 4.39Å; I19-I327 HydrophobicContact CG2-CD1 3.97Å; I19-I327 HydrophobicContact CG2-CG1 4.36Å; V22-I327 HydrophobicContact CB-CG2 4.2Å; V22-I327 HydrophobicContact CG1-CB 4.2Å; V22-I327 HydrophobicContact CG1-CG2 3.76Å; S23-I327 WeakPolarHBondContact OG-CG2 3.47Å; L26-I327 HydrophobicContact CD1-CG2 4.41Å; T323-I327 WeakPolarHBondContact O-CG1 3.46Å; T323-I327 PolarHBondContact O-N 3.23Å; I325-I327 VanDerWaalsContact C-N 3.34Å; I325-I327 PolarHBondContact O-N 3.31Å; I327-Q330 PolarHBondContact O-N 3.15Å; I327-L331 HydrophobicContact CG2-CD1 3.88Å; I327-L331 PolarHBondContact O-N 3.15Å; I327-L331 VanDerWaalsContact O-N 3.08Å
328	A	97.9	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-42.6	178.1	0	0	0	0	0	112.3	L26 I300 A304 A324 I325 Q330 L331 T332 F336	L26-A328 HydrophobicContact CD1-CB 4.29Å; I300-A328 HydrophobicContact CG2-CB 4.19Å; A304-A328 HydrophobicContact CB-CB 3.83Å; A324-A328 VanDerWaalsContact O-CB 3.25Å; A324-A328 WeakPolarHBondContact O-CB 3.2Å; A324-A328 PolarHBondContact O-N 3.35Å; I325-A328 PolarHBondContact O-N 3.38Å; I325-A328 VanDerWaalsContact O-N 3.14Å; A328-Q330 VanDerWaalsContact C-N 3.31Å; A328-Q330 PolarHBondContact O-N 3.06Å; A328-L331 PolarHBondContact O-N 2.98Å; A328-T332 WeakPolarHBondContact O-CB 3.36Å; A328-T332 WeakPolarHBondContact O-CG2 3.44Å; A328-T332 PolarHBondContact O-N 3.13Å; A328-T332 PolarHBondContact O-OG1 3.44Å; A328-F336 HydrophobicContact CB-CE2 4Å
329	E	97.1	Very high	97.3	Very high	65 Å²	65	48.6 Å²	48.6	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-70.3	-25.1	177.4	-67.7	-169.8	130.9	0	0	113.5	I325 F336	I325-E329 HydrophobicContact CG2-CG 4.31Å; I325-E329 WeakPolarHBondContact O-CG 3.2Å; I325-E329 PolarHBondContact O-N 3.49Å; E329-F336 HydrophobicContact CG-CD2 3.73Å; E329-F336 HydrophobicContact CG-CE2 4.45Å; E329-F336 PolarHBondContact OE1-N 3.33Å
330	Q	95.9	Very high	97.2	Very high	82 Å²	82	50 Å²	50	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-76.2	-39.2	174.7	-78.5	-178.6	-1.7	0	0	112.8	H326 I327 A328	H326-Q330 PolarHBondContact CE1-NE2 3.09Å; H326-Q330 PolarHBondContact NE2-NE2 2.65Å; H326-Q330 WeakPolarHBondContact O-CG 3.39Å; H326-Q330 PolarHBondContact O-N 3.15Å; I327-Q330 PolarHBondContact O-N 3.15Å; A328-Q330 VanDerWaalsContact C-N 3.31Å; A328-Q330 PolarHBondContact O-N 3.06Å
331	L	96.7	Very high	96.7	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-100.2	-6	-172.7	-69.5	173.9	0	0	0	114	V6 I8 L26 I34 I327 A328	V6-L331 HydrophobicContact CB-CD2 3.97Å; V6-L331 HydrophobicContact CG1-CD2 3.88Å; V6-L331 HydrophobicContact CG2-CD2 4.23Å; I8-L331 HydrophobicContact CD1-CD1 3.81Å; I8-L331 HydrophobicContact CD1-CD2 4.18Å; I8-L331 HydrophobicContact CD1-CG 4.26Å; L26-L331 HydrophobicContact CB-CB 3.99Å; L26-L331 HydrophobicContact CB-CD1 3.88Å; L26-L331 HydrophobicContact CD1-CB 4.01Å; L26-L331 HydrophobicContact CD1-CD1 4.25Å; I34-L331 HydrophobicContact CG2-CD1 4.47Å; I34-L331 HydrophobicContact CG2-CD2 3.65Å; I327-L331 HydrophobicContact CG2-CD1 3.88Å; I327-L331 PolarHBondContact O-N 3.15Å; I327-L331 VanDerWaalsContact O-N 3.08Å; A328-L331 PolarHBondContact O-N 2.98Å
332	T	96.2	Very high	95.5	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.098	27%	0.265	C	S	.	.	S	Bend	trans	-133.9	172.7	178	78	0	0	0	0	110.5	L26 T30 A328 A334	L26-T332 HydrophobicContact CD1-CG2 4.16Å; L26-T332 HydrophobicContact CD2-CG2 3.7Å; L26-T332 HydrophobicContact CG-CG2 4.44Å; T30-T332 HydrophobicContact CG2-CG2 4.39Å; A328-T332 WeakPolarHBondContact O-CB 3.36Å; A328-T332 WeakPolarHBondContact O-CG2 3.44Å; A328-T332 PolarHBondContact O-N 3.13Å; A328-T332 PolarHBondContact O-OG1 3.44Å; T332-A334 VanDerWaalsContact OG1-CB 3.23Å; T332-A334 WeakPolarHBondContact OG1-CB 3.49Å; T332-A334 PolarHBondContact OG1-N 2.98Å; T332-A334 VanDerWaalsContact OG1-N 3.09Å
333	Q	95.4	Very high	93.9	Very high	168 Å²	168	52.9 Å²	52.9	79%	0.785	26%	0.261	S	S	*	.	S	Bend	trans	-86.4	4.3	171.6	-64.1	-178.4	-2.5	0	0	113
334	A	98	Very high	91.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.			trans	-63.3	150.7	-179.8	0	0	0	0	0	111.3	A304 T332 F336 Q356	A304-A334 HydrophobicContact CB-CB 3.81Å; T332-A334 VanDerWaalsContact OG1-CB 3.23Å; T332-A334 WeakPolarHBondContact OG1-CB 3.49Å; T332-A334 PolarHBondContact OG1-N 2.98Å; T332-A334 VanDerWaalsContact OG1-N 3.09Å; A334-F336 HydrophobicContact CB-CE2 4.14Å; A334-Q356 VanDerWaalsContact CA-O 3.23Å; A334-Q356 WeakPolarHBondContact CA-O 3.31Å
335	K	98.4	Very high	89.8	Confident	127 Å²	127	70.3 Å²	70.3	55%	0.552	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.1	176.5	-63.4	-63.3	172.2	-161.4	0	110.1	C355 Q356	K335-C355 CarbonylContact O-C 3.51Å; K335-C355 WeakPolarHBondContact O-CA 3.32Å; K335-Q356 PolarHBondContact N-O 2.88Å; K335-Q356 PolarHBondContact O-N 3.44Å
336	F	98.6	Very high	87.9	Confident	19 Å²	19	71.2 Å²	71.2	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.4	178.6	-72.5	-98.1	0	0	0	110.8	I300 M303 A304 I325 A328 E329 A334 I353 E354 C355	I300-F336 HydrophobicContact CD1-CE1 3.92Å; I300-F336 HydrophobicContact CG2-CE1 3.96Å; I300-F336 HydrophobicContact CG2-CE2 4.34Å; I300-F336 HydrophobicContact CG2-CZ 3.63Å; M303-F336 HydrophobicContact CB-CE1 4.19Å; M303-F336 HydrophobicContact CB-CZ 4.3Å; M303-F336 HydrophobicContact CE-CE1 4.48Å; A304-F336 HydrophobicContact CB-CE2 4.01Å; A304-F336 HydrophobicContact CB-CZ 3.96Å; I325-F336 HydrophobicContact CB-CG 4.37Å; I325-F336 HydrophobicContact CD1-CB 4.44Å; I325-F336 HydrophobicContact CD1-CD1 4.05Å; I325-F336 HydrophobicContact CD1-CG 4.37Å; I325-F336 HydrophobicContact CG1-CB 4.44Å; I325-F336 HydrophobicContact CG1-CD1 3.79Å; I325-F336 HydrophobicContact CG1-CD2 4.46Å; I325-F336 HydrophobicContact CG1-CE1 4.1Å; I325-F336 HydrophobicContact CG1-CG 3.99Å; I325-F336 HydrophobicContact CG2-CB 3.57Å; I325-F336 HydrophobicContact CG2-CD1 4.37Å; I325-F336 HydrophobicContact CG2-CD2 3.88Å; I325-F336 HydrophobicContact CG2-CG 3.69Å; A328-F336 HydrophobicContact CB-CE2 4Å; E329-F336 HydrophobicContact CG-CD2 3.73Å; E329-F336 HydrophobicContact CG-CE2 4.45Å; E329-F336 PolarHBondContact OE1-N 3.33Å; A334-F336 HydrophobicContact CB-CE2 4.14Å; F336-I353 HydrophobicContact CD1-CG2 3.9Å; F336-I353 HydrophobicContact CE1-CG2 4.43Å; F336-E354 CarbonylContact C-O 3.31Å; F336-E354 VanDerWaalsContact CA-O 3.29Å; F336-E354 WeakPolarHBondContact CA-O 3.27Å; F336-C355 HydrophobicContact CD1-CB 3.65Å; F336-C355 HydrophobicContact CE1-CB 3.42Å; F336-C355 VanDerWaalsContact CE1-CB 3.42Å; F336-C355 VanDerWaalsContact CE1-SG 3.53Å; F336-C355 HydrophobicContact CE2-CB 4.42Å; F336-C355 WeakPolarHBondContact CE2-SG 3.34Å; F336-C355 HydrophobicContact CG-CB 4.26Å; F336-C355 HydrophobicContact CZ-CB 3.84Å; F336-C355 WeakPolarHBondContact CZ-SG 3.41Å
337	T	98.4	Very high	86	Confident	77 Å²	77	75.2 Å²	75.2	47%	0.472	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.7	171.1	-62	0	0	0	0	108.3	T339 E354	T337-T339 HydrophobicContact CG2-CG2 3.95Å; T337-E354 PolarHBondContact N-O 3.45Å; T337-E354 PolarHBondContact O-N 2.92Å
338	I	98	Very high	84.6	Confident	73 Å²	73	76.3 Å²	76.3	37%	0.374	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.8	178.2	-56.9	175.9	0	0	0	107.1	V317 I325 Y351 I352 I353	V317-I338 HydrophobicContact CG1-CD1 4.13Å; V317-I338 HydrophobicContact CG2-CD1 4.35Å; V317-I338 HydrophobicContact CG2-CG2 3.92Å; I325-I338 HydrophobicContact CD1-CD1 4.01Å; I325-I338 HydrophobicContact CD1-CG1 4.49Å; I338-Y351 HydrophobicContact CG2-CD1 3.86Å; I338-Y351 HydrophobicContact CG2-CG 4.32Å; I338-I352 WeakPolarHBondContact CA-O 3.34Å; I338-I353 HydrophobicContact CG1-CG1 4.39Å
339	T	96.9	Very high	84	Confident	70 Å²	70	79.5 Å²	79.5	43%	0.429	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.4	177.6	53.7	0	0	0	0	110	T337 S341 Y351 I352	T337-T339 HydrophobicContact CG2-CG2 3.95Å; T339-S341 PolarHBondContact O-N 2.87Å; T339-Y351 CarbonylContact O-C 3.57Å; T339-Y351 VanDerWaalsContact O-CA 3.25Å; T339-Y351 WeakPolarHBondContact O-CA 3.21Å; T339-I352 PolarHBondContact N-O 3.03Å; T339-I352 PolarHBondContact O-N 3.39Å
340	K	94.2	Very high	83.8	Confident	113 Å²	113	76.4 Å²	76.4	49%	0.491	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.2	171.6	-163.9	-174.4	-177.8	-165.7	0	107.9	E342 V349 Y351	K340-E342 HydrophobicContact CD-CG 4.19Å; K340-E342 WeakPolarHBondContact CE-OE1 3.43Å; K340-E342 HydrophobicContact CG-CG 4.34Å; K340-E342 IonicContact NZ-OE1 3.03Å; K340-E342 PolarHBondContact NZ-OE1 3.08Å; K340-V349 HydrophobicContact CD-CG1 4.02Å; K340-V349 HydrophobicContact CG-CG1 3.64Å; K340-Y351 HydrophobicContact CB-CE1 4.48Å; K340-Y351 HydrophobicContact CG-CE1 4.43Å
341	S	85.9	Confident	83.8	Confident	23 Å²	23	76 Å²	76	16%	0.161	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.8	173.8	175.1	0	0	0	0	107.4	T339 T350	T339-S341 PolarHBondContact O-N 2.87Å; S341-T350 WeakPolarHBondContact CB-OG1 3.39Å; S341-T350 PolarHBondContact N-O 3.03Å; S341-T350 PolarHBondContact O-N 3.36Å; S341-T350 PolarHBondContact O-OG1 3.45Å
342	E	71.8	Confident	83.9	Confident	139 Å²	139	76.5 Å²	76.5	65%	0.65	40%	0.403	S	S	*	.			trans	-86.9	123.8	173	-63.4	-175.9	177.1	0	0	107.6	K340	K340-E342 HydrophobicContact CD-CG 4.19Å; K340-E342 WeakPolarHBondContact CE-OE1 3.43Å; K340-E342 HydrophobicContact CG-CG 4.34Å; K340-E342 IonicContact NZ-OE1 3.03Å; K340-E342 PolarHBondContact NZ-OE1 3.08Å
343	D	64.8	Low	84	Confident	54 Å²	54	75.7 Å²	75.7	29%	0.289	40%	0.398	S	S	.	.			trans	-103.3	112.5	168.4	-174	-9.7	0	0	0	105.4	N288 L345 S346	N288-D343 PolarHBondContact ND2-OD2 3.41Å; D343-L345 PolarHBondContact O-N 3.45Å; D343-L345 PolarHBondContact OD1-N 2.63Å; D343-S346 PolarHBondContact O-N 2.85Å
344	E	54.2	Low	84.2	Confident	200 Å²	200	70.8 Å²	70.8	94%	0.935	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.2	-176.2	-66.5	-177.1	170	0	0	112.4
345	L	53.1	Low	84.2	Confident	168 Å²	168	70.8 Å²	70.8	88%	0.88	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.7	-177.9	-65	165.3	0	0	0	114.1	D343	D343-L345 PolarHBondContact O-N 3.45Å; D343-L345 PolarHBondContact OD1-N 2.63Å
346	S	59.3	Low	84.2	Confident	31 Å²	31	69.2 Å²	69.2	22%	0.217	37%	0.37	C	S	.	.			trans	-123.6	133.4	-178.1	86.3	0	0	0	0	112	N288 D343 G348	N288-S346 WeakPolarHBondContact ND2-CB 3.48Å; N288-S346 PolarHBondContact ND2-OG 2.96Å; D343-S346 PolarHBondContact O-N 2.85Å; S346-G348 PolarHBondContact O-N 3.36Å; S346-G348 VanDerWaalsContact O-N 3.09Å; S346-G348 PolarHBondContact OG-O 3.1Å
347	S	57.8	Low	84.2	Confident	143 Å²	143	68.7 Å²	68.7	100%	1	37%	0.369	S	S	*	.	S	Bend	trans	-72	1.7	178.7	62.3	0	0	0	0	114
348	G	67.6	Low	84.2	Confident	24 Å²	24	66.7 Å²	66.7	25%	0.247	36%	0.359	C	S	.	.	S	Bend	trans	-107.6	134.2	-174.6	0	0	0	0	0	112.1	S346 T350	S346-G348 PolarHBondContact O-N 3.36Å; S346-G348 VanDerWaalsContact O-N 3.09Å; S346-G348 PolarHBondContact OG-O 3.1Å; G348-T350 PolarHBondContact O-N 3.2Å
349	V	85.9	Confident	84.1	Confident	66 Å²	66	64.2 Å²	64.2	40%	0.4	35%	0.351	S	S	.	.			trans	-72.7	118.4	169.8	177.5	0	0	0	0	109.1	K340 Y351	K340-V349 HydrophobicContact CD-CG1 4.02Å; K340-V349 HydrophobicContact CG-CG1 3.64Å; V349-Y351 HydrophobicContact CG1-CD2 4.4Å; V349-Y351 HydrophobicContact CG1-CE1 4.41Å; V349-Y351 HydrophobicContact CG1-CE2 3.68Å
350	T	93.5	Very high	84.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	162.9	170	72.4	0	0	0	0	110.9	H287 N288 T314 S341 G348	H287-T350 WeakPolarHBondContact O-CG2 3.18Å; N288-T350 HydrophobicContact CB-CG2 4.12Å; T314-T350 VanDerWaalsContact O-CA 3.32Å; T314-T350 WeakPolarHBondContact O-CA 3.43Å; T314-T350 WeakPolarHBondContact O-CB 3.44Å; S341-T350 WeakPolarHBondContact CB-OG1 3.39Å; S341-T350 PolarHBondContact N-O 3.03Å; S341-T350 PolarHBondContact O-N 3.36Å; S341-T350 PolarHBondContact O-OG1 3.45Å; G348-T350 PolarHBondContact O-N 3.2Å
351	Y	95.9	Very high	84.2	Confident	73 Å²	73	60.1 Å²	60.1	29%	0.286	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.7	175.8	-61.5	-95	0	0	0	109.5	R313 T314 G315 V317 I338 T339 K340 V349	R313-Y351 CarbonylContact C-O 3.56Å; R313-Y351 WeakPolarHBondContact CA-O 3.36Å; T314-Y351 PolarHBondContact N-O 3.42Å; T314-Y351 PolarHBondContact O-N 2.98Å; G315-Y351 WeakPolarHBondContact O-CD2 3.22Å; V317-Y351 HydrophobicContact CG2-CD1 4.48Å; V317-Y351 HydrophobicContact CG2-CD2 4.28Å; V317-Y351 HydrophobicContact CG2-CG 4.02Å; I338-Y351 HydrophobicContact CG2-CD1 3.86Å; I338-Y351 HydrophobicContact CG2-CG 4.32Å; T339-Y351 CarbonylContact O-C 3.57Å; T339-Y351 VanDerWaalsContact O-CA 3.25Å; T339-Y351 WeakPolarHBondContact O-CA 3.21Å; K340-Y351 HydrophobicContact CB-CE1 4.48Å; K340-Y351 HydrophobicContact CG-CE1 4.43Å; V349-Y351 HydrophobicContact CG1-CD2 4.4Å; V349-Y351 HydrophobicContact CG1-CE1 4.41Å; V349-Y351 HydrophobicContact CG1-CE2 3.68Å
352	I	97.9	Very high	84.8	Confident	22 Å²	22	59 Å²	59	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.6	163.9	-56.5	-57.9	0	0	0	107.2	T185 R311 I312 R313 I338 T339	T185-I352 HydrophobicContact CG2-CD1 4.14Å; R311-I352 HydrophobicContact CB-CG2 4.37Å; I312-I352 WeakPolarHBondContact O-CA 3.35Å; R313-I352 HydrophobicContact CB-CD1 3.54Å; R313-I352 HydrophobicContact CG-CD1 3.8Å; I338-I352 WeakPolarHBondContact CA-O 3.34Å; T339-I352 PolarHBondContact N-O 3.03Å; T339-I352 PolarHBondContact O-N 3.39Å
353	I	98.5	Very high	85.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.8	164.8	-53.9	-179.8	0	0	0	106.2	Q296 I300 M303 R311 I312 T314 V317 T321 I325 F336 I338	Q296-I353 HydrophobicContact CG-CD1 3.89Å; I300-I353 HydrophobicContact CD1-CG2 4.29Å; M303-I353 HydrophobicContact CE-CG2 4.23Å; M303-I353 WeakPolarHBondContact CE-O 3.08Å; R311-I353 WeakPolarHBondContact CA-O 3.35Å; I312-I353 HydrophobicContact CD1-CB 4.46Å; I312-I353 HydrophobicContact CD1-CD1 4.43Å; I312-I353 HydrophobicContact CG1-CB 3.87Å; I312-I353 PolarHBondContact N-O 3.5Å; I312-I353 PolarHBondContact O-N 3.02Å; T314-I353 HydrophobicContact CG2-CD1 4.04Å; T314-I353 HydrophobicContact CG2-CG1 4.39Å; V317-I353 HydrophobicContact CG1-CD1 4.43Å; V317-I353 HydrophobicContact CG2-CD1 4.45Å; T321-I353 HydrophobicContact CG2-CD1 3.67Å; I325-I353 HydrophobicContact CD1-CG2 4.11Å; F336-I353 HydrophobicContact CD1-CG2 3.9Å; F336-I353 HydrophobicContact CE1-CG2 4.43Å; I338-I353 HydrophobicContact CG1-CG1 4.39Å
354	E	98.7	Very high	87.1	Confident	64 Å²	64	56.1 Å²	56.1	30%	0.299	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.9	173	-176.2	172.5	112.2	0	0	109.2	T309 S310 R311 F336 T337	T309-E354 HydrophobicContact CG2-CG 3.58Å; S310-E354 CarbonylContact O-C 3.55Å; S310-E354 WeakPolarHBondContact O-CA 3.31Å; R311-E354 HydrophobicContact CG-CB 4.28Å; R311-E354 HydrophobicContact CG-CG 3.99Å; R311-E354 IonicContact CZ-OE2 3.32Å; R311-E354 IonicContact NE-OE2 3.96Å; R311-E354 PolarHBondContact NE-OE2 3.31Å; R311-E354 IonicContact NH2-OE1 3.64Å; R311-E354 IonicContact NH2-OE2 2.71Å; R311-E354 PolarHBondContact NH2-OE2 3.46Å; F336-E354 CarbonylContact C-O 3.31Å; F336-E354 VanDerWaalsContact CA-O 3.29Å; F336-E354 WeakPolarHBondContact CA-O 3.27Å; T337-E354 PolarHBondContact N-O 3.45Å; T337-E354 PolarHBondContact O-N 2.92Å
355	C	98.8	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.4	174.8	-176.7	0	0	0	0	109.8	M303 T309 S310 K335 F336 G357	M303-C355 HydrophobicContact CB-CB 3.88Å; M303-C355 HydrophobicContact CE-CB 3.79Å; M303-C355 PolarHBondContact O-SG 3.46Å; T309-C355 CarbonylContact C-O 3.57Å; T309-C355 VanDerWaalsContact CA-O 3.27Å; T309-C355 WeakPolarHBondContact CA-O 3.32Å; S310-C355 PolarHBondContact N-O 2.85Å; S310-C355 PolarHBondContact O-N 2.95Å; K335-C355 CarbonylContact O-C 3.51Å; K335-C355 WeakPolarHBondContact O-CA 3.32Å; F336-C355 HydrophobicContact CD1-CB 3.65Å; F336-C355 HydrophobicContact CE1-CB 3.42Å; F336-C355 VanDerWaalsContact CE1-CB 3.42Å; F336-C355 VanDerWaalsContact CE1-SG 3.53Å; F336-C355 HydrophobicContact CE2-CB 4.42Å; F336-C355 WeakPolarHBondContact CE2-SG 3.34Å; F336-C355 HydrophobicContact CG-CB 4.26Å; F336-C355 HydrophobicContact CZ-CB 3.84Å; F336-C355 WeakPolarHBondContact CZ-SG 3.41Å; C355-G357 PolarHBondContact O-N 2.89Å
356	Q	98.8	Very high	90.7	Very high	95 Å²	95	45.9 Å²	45.9	44%	0.444	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	101.3	158.7	-178.2	58.8	41.3	0	0	107.3	T309 A334 K335	T309-Q356 PolarHBondContact OG1-OE1 3.38Å; A334-Q356 VanDerWaalsContact CA-O 3.23Å; A334-Q356 WeakPolarHBondContact CA-O 3.31Å; K335-Q356 PolarHBondContact N-O 2.88Å; K335-Q356 PolarHBondContact O-N 3.44Å
357	G	98.3	Very high	92.3	Very high	7 Å²	7	46.7 Å²	46.7	7%	0.072	28%	0.279	C	S	.	.			trans	-70.6	153.8	-177.3	0	0	0	0	0	112.3	M303 A306 G308 C355 G359	M303-G357 WeakPolarHBondContact O-CA 3.42Å; A306-G357 CarbonylContact O-C 3.44Å; A306-G357 VanDerWaalsContact O-C 3.31Å; A306-G357 VanDerWaalsContact O-CA 3.25Å; A306-G357 WeakPolarHBondContact O-CA 3.46Å; G308-G357 PolarHBondContact O-N 3.27Å; C355-G357 PolarHBondContact O-N 2.89Å; G357-G359 PolarHBondContact O-N 2.83Å
358	S	97.7	Very high	94.3	Very high	35 Å²	35	41.3 Å²	41.3	25%	0.245	24%	0.239	C	C	.	.			trans	-73.2	-12	-179.6	57.7	0	0	0	0	113.7	A304 V360	A304-S358 WeakPolarHBondContact O-CB 3.44Å; A304-S358 PolarHBondContact O-N 3.12Å; A304-S358 PolarHBondContact O-OG 3.01Å; S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 WeakPolarHBondContact OG-CG2 3.32Å
359	G	97	Very high	95.8	Very high	21 Å²	21	42.4 Å²	42.4	22%	0.216	24%	0.238	C	C	.	.			trans	60.9	42.6	176.2	0	0	0	0	0	113.6	L305 A306 G357 V361	L305-G359 PolarHBondContact O-N 3Å; A306-G359 WeakPolarHBondContact O-CA 3.43Å; A306-G359 PolarHBondContact O-N 3.03Å; G357-G359 PolarHBondContact O-N 2.83Å; G359-V361 PolarHBondContact O-N 3.25Å; G359-V361 VanDerWaalsContact O-N 3.08Å
360	V	96.4	Very high	96.5	Very high	31 Å²	31	40.9 Å²	40.9	19%	0.188	23%	0.228	C	C	.	.			trans	-64.8	114	-178.7	-172.7	0	0	0	0	109.2	I29 Y113 L305 S358	I29-V360 HydrophobicContact CG2-CG1 4Å; Y113-V360 HydrophobicContact CD1-CG1 4.36Å; Y113-V360 HydrophobicContact CE1-CB 4.04Å; Y113-V360 HydrophobicContact CE1-CG1 3.67Å; Y113-V360 WeakPolarHBondContact CE1-O 3.43Å; Y113-V360 PolarHBondContact OH-O 3.27Å; L305-V360 HydrophobicContact CD2-CB 4.13Å; L305-V360 HydrophobicContact CD2-CG2 3.56Å; L305-V360 PolarHBondContact O-N 3Å; L305-V360 VanDerWaalsContact O-N 3.09Å; S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 WeakPolarHBondContact OG-CG2 3.32Å
361	V	97.2	Very high	96.7	Very high	67 Å²	67	43.6 Å²	43.6	41%	0.406	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-82.2	136.8	172	-179.9	0	0	0	0	108.5	K177 G359 P363	K177-V361 HydrophobicContact CD-CG1 3.97Å; K177-V361 HydrophobicContact CG-CG1 4.38Å; K177-V361 CarbonylContact O-C 3.6Å; K177-V361 WeakPolarHBondContact O-CA 3.33Å; G359-V361 PolarHBondContact O-N 3.25Å; G359-V361 VanDerWaalsContact O-N 3.08Å; V361-P363 WeakPolarHBondContact O-CD 3.48Å
362	N	96.8	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.			trans	-67.9	112.2	172.6	-175.4	-8	0	0	0	110	L112 Y113 A114 L176 K177 N364 L365	L112-N362 PolarHBondContact O-ND2 3.3Å; Y113-N362 WeakPolarHBondContact CA-ND2 3.38Å; Y113-N362 HydrophobicContact CD1-CB 3.8Å; Y113-N362 HydrophobicContact CE1-CB 4.2Å; Y113-N362 PolarHBondContact O-OD1 3.31Å; Y113-N362 VanDerWaalsContact O-OD1 3.13Å; A114-N362 PolarHBondContact O-ND2 3.09Å; L176-N362 WeakPolarHBondContact O-CB 2.99Å; L176-N362 PolarHBondContact O-ND2 3.4Å; K177-N362 PolarHBondContact NZ-O 3.05Å; K177-N362 PolarHBondContact O-N 3.18Å; N362-N364 PolarHBondContact O-N 3.48Å; N362-N364 VanDerWaalsContact OD1-CB 3.29Å; N362-N364 WeakPolarHBondContact OD1-CB 3.29Å; N362-N364 PolarHBondContact OD1-N 3.07Å; N362-N364 PolarHBondContact OD1-ND2 3.29Å; N362-L365 HydrophobicContact CB-CD1 4.45Å; N362-L365 WeakPolarHBondContact ND2-CD1 3.42Å; N362-L365 WeakPolarHBondContact ND2-CG 3.44Å
363	P	93.9	Very high	96.6	Very high	101 Å²	101	43 Å²	43	66%	0.656	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.2	-179.4	35.4	-35.6	0	0	0	112.5	V361	V361-P363 WeakPolarHBondContact O-CD 3.48Å
364	N	92.9	Very high	96.5	Very high	31 Å²	31	46.6 Å²	46.6	17%	0.166	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.5	-175.6	-55.6	-62.1	0	0	0	113.2	K84 Y113 D115 N362	K84-N364 WeakPolarHBondContact CE-OD1 3.33Å; Y113-N364 PolarHBondContact O-ND2 3.39Å; D115-N364 WeakPolarHBondContact CA-O 2.99Å; D115-N364 HydrophobicContact CB-CB 4Å; D115-N364 WeakPolarHBondContact CB-O 3.47Å; N362-N364 PolarHBondContact O-N 3.48Å; N362-N364 VanDerWaalsContact OD1-CB 3.29Å; N362-N364 WeakPolarHBondContact OD1-CB 3.29Å; N362-N364 PolarHBondContact OD1-N 3.07Å; N362-N364 PolarHBondContact OD1-ND2 3.29Å
365	L	91.1	Very high	96.3	Very high	107 Å²	107	45 Å²	45	56%	0.56	27%	0.268	S	S	*	.			trans	-103.3	0	176.1	-73.5	-179.8	0	0	0	113.8	P175 L176 K177 N362	P175-L365 HydrophobicContact CB-CD1 4.03Å; P175-L365 HydrophobicContact CB-CD2 4.11Å; P175-L365 HydrophobicContact CB-CG 4.29Å; P175-L365 HydrophobicContact CG-CD1 4.39Å; P175-L365 HydrophobicContact CG-CD2 3.94Å; L176-L365 WeakPolarHBondContact O-CD1 3.22Å; K177-L365 HydrophobicContact CD-CB 4.19Å; K177-L365 PolarHBondContact NZ-O 2.85Å; N362-L365 HydrophobicContact CB-CD1 4.45Å; N362-L365 WeakPolarHBondContact ND2-CD1 3.42Å; N362-L365 WeakPolarHBondContact ND2-CG 3.44Å

Retrieved 365 of 365 residues in 85.8 ms (Link to these results)

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