A0A087YD77_POEFO Loading...

Putative protein-lysine deacylase ABHD14B

Acts as an atypical protein-lysine deacetylase in vitro. Catalyzes the deacetylation of lysine residues using CoA as substrate, generating acetyl-CoA and the free amine of protein-lysine residues. Additional experiments are however required to confirm the protein-lysine deacetylase activity in vivo. Has hydrolase activity towards various surrogate p-nitrophenyl (pNp) substrates, such as pNp-butyrate, pNp-acetate and pNp-octanoate in vitro, with a strong preference for pNp-acetate. May activate transcription.

AlphaFold DB , UniProt , Accession A0A087YD77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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	50.2	Low	87.8	Confident	227 Å²	227	76.6 Å²	76.6	100%	1.118	44%	0.442	S	S	*	.				0	124.4	0	-72.3	-173.4	-87.8	0	0	107.1	A3	M1-A3 PolarHBondContact O-N 3.42Å
2	S	58.3	Low	88.5	Confident	81 Å²	81	80 Å²	80	57%	0.566	45%	0.45	S	S	*	.			trans	-65.8	129.4	175.7	-139.9	0	0	0	0	108.4
3	A	82.4	Confident	88.9	Confident	67 Å²	67	74.2 Å²	74.2	55%	0.554	42%	0.418	S	S	*	.			trans	-65.2	147.8	177.1	0	0	0	0	0	109.7	M1 A28	M1-A3 PolarHBondContact O-N 3.42Å; A3-A28 HydrophobicContact CB-CB 3.57Å; A3-A28 WeakPolarHBondContact O-CB 3.34Å; A3-A28 PolarHBondContact O-N 3.49Å
4	V	92.8	Very high	88.9	Confident	37 Å²	37	81.6 Å²	81.6	22%	0.224	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.9	176.8	174	0	0	0	0	108	M6 E56 A59 K60	V4-M6 HydrophobicContact CG1-CE 3.65Å; V4-M6 HydrophobicContact CG1-CG 4.41Å; V4-M6 HydrophobicContact CG1-SD 4.33Å; V4-E56 HydrophobicContact CB-CG 4.45Å; V4-E56 HydrophobicContact CG2-CG 4.02Å; V4-A59 HydrophobicContact CB-CB 4.21Å; V4-A59 HydrophobicContact CG1-CB 3.42Å; V4-A59 VanDerWaalsContact CG1-CB 3.42Å; V4-A59 HydrophobicContact CG2-CB 3.77Å; V4-K60 HydrophobicContact CG2-CG 3.88Å
5	K	95.1	Very high	88.5	Confident	107 Å²	107	79.7 Å²	79.7	47%	0.465	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.9	173	173.5	177.8	161.9	-146.8	0	108.8	S25 E26	K5-S25 CarbonylContact O-C 3.56Å; K5-S25 VanDerWaalsContact O-CA 3.31Å; K5-S25 WeakPolarHBondContact O-CA 3.39Å; K5-E26 HydrophobicContact CB-CG 3.74Å; K5-E26 HydrophobicContact CD-CG 3.98Å; K5-E26 HydrophobicContact CG-CG 4.02Å; K5-E26 PolarHBondContact N-O 2.64Å; K5-E26 IonicContact NZ-OE1 3.86Å; K5-E26 PolarHBondContact NZ-OE1 3.02Å; K5-E26 IonicContact NZ-OE2 2.72Å; K5-E26 PolarHBondContact NZ-OE2 3.3Å; K5-E26 PolarHBondContact O-N 3.35Å
6	M	97.1	Very high	88.4	Confident	80 Å²	80	74.8 Å²	74.8	39%	0.394	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.7	176.4	-67.4	-67.8	178.9	0	0	109.6	V4 Q24 S25 L50 L55 E56	V4-M6 HydrophobicContact CG1-CE 3.65Å; V4-M6 HydrophobicContact CG1-CG 4.41Å; V4-M6 HydrophobicContact CG1-SD 4.33Å; M6-Q24 WeakPolarHBondContact CA-O 3.39Å; M6-S25 WeakPolarHBondContact SD-CB 3.27Å; M6-L50 HydrophobicContact SD-CD1 4.45Å; M6-L55 HydrophobicContact CE-CB 3.85Å; M6-L55 HydrophobicContact SD-CB 4.29Å; M6-E56 HydrophobicContact CE-CB 3.92Å
7	S	97.8	Very high	88.3	Confident	43 Å²	43	81.5 Å²	81.5	30%	0.301	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164.5	174.2	58.7	0	0	0	0	111.4	Q24	S7-Q24 PolarHBondContact N-O 2.93Å; S7-Q24 PolarHBondContact O-N 3.36Å
8	E	98.6	Very high	88.6	Confident	100 Å²	100	78.1 Å²	78.1	47%	0.467	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154	172.1	-61	-177.8	178.3	0	0	108.8	F21 Y22 R23 R75	E8-F21 HydrophobicContact CB-CE2 3.89Å; E8-F21 HydrophobicContact CB-CZ 3.93Å; E8-F21 HydrophobicContact CG-CE2 4.29Å; E8-F21 HydrophobicContact CG-CZ 3.86Å; E8-Y22 WeakPolarHBondContact CA-O 3.49Å; E8-R23 HydrophobicContact CG-CG 4.47Å; E8-R23 IonicContact OE1-CZ 3.35Å; E8-R23 IonicContact OE1-NH1 2.83Å; E8-R23 PolarHBondContact OE1-NH1 3.34Å; E8-R23 IonicContact OE1-NH2 2.68Å; E8-R23 PolarHBondContact OE1-NH2 2.99Å; E8-R75 IonicContact OE1-NH1 3.76Å; E8-R75 IonicContact OE2-CZ 2.6Å; E8-R75 IonicContact OE2-NH1 3.73Å; E8-R75 PolarHBondContact OE2-NH1 3.13Å; E8-R75 IonicContact OE2-NH2 2.7Å
9	G	98.2	Very high	89.1	Confident	20 Å²	20	76.6 Å²	76.6	21%	0.206	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-173.9	176	0	0	0	0	0	112.1	F21 Y22	G9-F21 WeakPolarHBondContact O-CD2 3.46Å; G9-Y22 VanDerWaalsContact C-CE1 3.47Å; G9-Y22 PolarHBondContact N-O 2.99Å; G9-Y22 PolarHBondContact O-N 3.15Å
10	S	98.1	Very high	89.6	Confident	76 Å²	76	72.8 Å²	72.8	53%	0.531	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.1	174.8	61.6	0	0	0	0	110.1	L20	S10-L20 CarbonylContact C-O 3.59Å; S10-L20 WeakPolarHBondContact CA-O 3.13Å
11	V	97.9	Very high	90	Very high	5 Å²	5	70 Å²	70	3%	0.03	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.1	177.6	61	0	0	0	0	109.6	V13 P19 L20 Y22 L68 Q100 L101	V11-V13 HydrophobicContact CG1-CG2 4.3Å; V11-P19 CarbonylContact O-C 3.55Å; V11-P19 VanDerWaalsContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; V11-L20 HydrophobicContact CG1-CB 3.9Å; V11-L20 PolarHBondContact N-O 3.08Å; V11-L20 PolarHBondContact O-N 3.35Å; V11-Y22 HydrophobicContact CB-CD1 4.37Å; V11-Y22 HydrophobicContact CB-CE1 4.37Å; V11-Y22 HydrophobicContact CG1-CD1 4.39Å; V11-L68 HydrophobicContact CG1-CD1 4.02Å; V11-Q100 HydrophobicContact CG2-CB 3.46Å; V11-Q100 VanDerWaalsContact CG2-CB 3.46Å; V11-Q100 HydrophobicContact CG2-CG 4.25Å; V11-L101 HydrophobicContact CB-CD1 4.43Å; V11-L101 HydrophobicContact CB-CD2 4Å; V11-L101 HydrophobicContact CB-CG 4.18Å; V11-L101 HydrophobicContact CG1-CD1 4.35Å; V11-L101 HydrophobicContact CG2-CD2 4.12Å; V11-L101 HydrophobicContact CG2-CG 3.96Å
12	E	96.3	Very high	92.3	Very high	117 Å²	117	61 Å²	61	55%	0.547	34%	0.335	S	S	.	.			trans	-77.6	132	173.4	-63.5	-62	161.5	0	0	109.4	P19	E12-P19 WeakPolarHBondContact OE1-CB 2.98Å
13	V	93.6	Very high	94.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	31%	0.314	C	S	.	.			trans	-134.3	114.6	176.6	-175.4	0	0	0	0	106.8	V11 S15 C16 L20 F93 E96 V97	V11-V13 HydrophobicContact CG1-CG2 4.3Å; V13-S15 WeakPolarHBondContact CG1-OG 3.09Å; V13-S15 PolarHBondContact O-N 3.41Å; V13-S15 VanDerWaalsContact O-N 3.15Å; V13-C16 HydrophobicContact CB-CB 4.28Å; V13-C16 PolarHBondContact O-N 2.98Å; V13-L20 HydrophobicContact CB-CD1 4.48Å; V13-L20 HydrophobicContact CG2-CD1 3.76Å; V13-L20 HydrophobicContact CG2-CG 4.19Å; V13-F93 HydrophobicContact CG1-CD2 3.87Å; V13-F93 HydrophobicContact CG1-CE2 3.95Å; V13-E96 WeakPolarHBondContact CA-OE1 3.44Å; V13-E96 HydrophobicContact CG1-CB 4.49Å; V13-E96 HydrophobicContact CG1-CG 4.25Å; V13-E96 WeakPolarHBondContact CG1-OE2 3.37Å; V13-V97 HydrophobicContact CG2-CG2 3.65Å
14	E	88	Confident	95	Very high	178 Å²	178	56 Å²	56	83%	0.832	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-54.3	-39.6	-172	-72.3	-176.1	175.2	0	0	111.6	C16 E96	E14-C16 PolarHBondContact O-N 3.29Å; E14-E96 WeakPolarHBondContact CB-OE1 3.17Å; E14-E96 WeakPolarHBondContact CG-OE1 3.35Å; E14-E96 PolarHBondContact N-OE1 3.03Å
15	S	83.5	Confident	95.3	Very high	54 Å²	54	54.2 Å²	54.2	38%	0.378	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.5	-14.3	-180	58.8	0	0	0	0	114.8	V13	V13-S15 WeakPolarHBondContact CG1-OG 3.09Å; V13-S15 PolarHBondContact O-N 3.41Å; V13-S15 VanDerWaalsContact O-N 3.15Å
16	C	86.3	Confident	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-103.6	-7.9	-171.4	-77.7	0	0	0	0	115.9	V13 E14 A18 A79 K80 F93	V13-C16 HydrophobicContact CB-CB 4.28Å; V13-C16 PolarHBondContact O-N 2.98Å; E14-C16 PolarHBondContact O-N 3.29Å; C16-A18 PolarHBondContact O-N 3Å; C16-A79 HydrophobicContact CB-CB 4Å; C16-A79 CarbonylContact O-C 3.59Å; C16-A79 WeakPolarHBondContact O-CA 3.32Å; C16-K80 PolarHBondContact O-N 2.76Å; C16-K80 PolarHBondContact SG-O 2.82Å; C16-F93 VanDerWaalsContact SG-CE2 3.51Å
17	K	87	Confident	95.3	Very high	189 Å²	189	48.3 Å²	48.3	82%	0.822	26%	0.255	S	S	*	.	S	Bend	trans	59.4	-5.1	-179.4	-54.3	-177.9	177.8	-179.4	0	116.6	K80	K17-K80 HydrophobicContact CD-CG 4.47Å
18	A	94.4	Very high	94.9	Very high	20 Å²	20	49 Å²	49	17%	0.165	26%	0.262	C	S	.	.	S	Bend	trans	-154.7	154.7	174.2	0	0	0	0	0	108.4	C16 L78 A79	C16-A18 PolarHBondContact O-N 3Å; A18-L78 HydrophobicContact CB-CB 4.11Å; A18-A79 HydrophobicContact CB-CB 4.44Å
19	P	97.1	Very high	94.3	Very high	50 Å²	50	47.8 Å²	47.8	33%	0.325	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68.3	151.7	-177	24.6	-33.8	0	0	0	112.9	V11 E12	V11-P19 CarbonylContact O-C 3.55Å; V11-P19 VanDerWaalsContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CA 3.49Å; E12-P19 WeakPolarHBondContact OE1-CB 2.98Å
20	L	98.6	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.8	172.1	-57.5	177.6	0	0	0	110.5	S10 V11 V13 L68 P71 S76 A79 F93 V97	S10-L20 CarbonylContact C-O 3.59Å; S10-L20 WeakPolarHBondContact CA-O 3.13Å; V11-L20 HydrophobicContact CG1-CB 3.9Å; V11-L20 PolarHBondContact N-O 3.08Å; V11-L20 PolarHBondContact O-N 3.35Å; V13-L20 HydrophobicContact CB-CD1 4.48Å; V13-L20 HydrophobicContact CG2-CD1 3.76Å; V13-L20 HydrophobicContact CG2-CG 4.19Å; L20-L68 HydrophobicContact CB-CD1 3.81Å; L20-L68 HydrophobicContact CD1-CD1 4.18Å; L20-L68 HydrophobicContact CD1-CD2 4.08Å; L20-L68 HydrophobicContact CD1-CG 4.45Å; L20-P71 HydrophobicContact CD2-CB 4.38Å; L20-P71 HydrophobicContact CD2-CG 3.94Å; L20-S76 WeakPolarHBondContact CA-OG 3.36Å; L20-A79 HydrophobicContact CD2-CB 3.39Å; L20-F93 HydrophobicContact CD1-CE2 3.84Å; L20-F93 HydrophobicContact CD1-CZ 3.65Å; L20-V97 HydrophobicContact CD1-CG2 4.15Å
21	F	98.8	Very high	93.1	Very high	16 Å²	16	55.4 Å²	55.4	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.2	173.5	178.5	-97.3	0	0	0	111.1	E8 G9 R23 D69 R75 S76	E8-F21 HydrophobicContact CB-CE2 3.89Å; E8-F21 HydrophobicContact CB-CZ 3.93Å; E8-F21 HydrophobicContact CG-CE2 4.29Å; E8-F21 HydrophobicContact CG-CZ 3.86Å; G9-F21 WeakPolarHBondContact O-CD2 3.46Å; F21-R23 HydrophobicContact CE1-CG 3.65Å; F21-R23 HydrophobicContact CZ-CG 3.99Å; F21-D69 HydrophobicContact CB-CB 4.29Å; F21-D69 HydrophobicContact CD1-CB 4.39Å; F21-D69 WeakPolarHBondContact CD1-OD2 3.31Å; F21-D69 PolarHBondContact O-N 2.84Å; F21-R75 HydrophobicContact CB-CB 3.69Å; F21-R75 HydrophobicContact CD1-CB 3.8Å; F21-R75 HydrophobicContact CD1-CG 4.26Å; F21-R75 HydrophobicContact CD2-CB 4.19Å; F21-R75 HydrophobicContact CE1-CB 4.5Å; F21-R75 HydrophobicContact CG-CB 3.61Å; F21-R75 HydrophobicContact CG-CG 4.4Å; F21-S76 PolarHBondContact N-OG 2.86Å
22	Y	98.9	Very high	92.8	Very high	36 Å²	36	57.2 Å²	57.2	14%	0.141	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.2	168.8	69.4	-95	0	0	0	112.5	E8 G9 V11 Q24 V66 A67 L101	E8-Y22 WeakPolarHBondContact CA-O 3.49Å; G9-Y22 VanDerWaalsContact C-CE1 3.47Å; G9-Y22 PolarHBondContact N-O 2.99Å; G9-Y22 PolarHBondContact O-N 3.15Å; V11-Y22 HydrophobicContact CB-CD1 4.37Å; V11-Y22 HydrophobicContact CB-CE1 4.37Å; V11-Y22 HydrophobicContact CG1-CD1 4.39Å; Y22-Q24 HydrophobicContact CD2-CB 4.15Å; Y22-Q24 HydrophobicContact CE2-CB 4.03Å; Y22-V66 HydrophobicContact CD2-CG1 3.7Å; Y22-V66 HydrophobicContact CG-CG1 3.87Å; Y22-A67 CarbonylContact C-O 3.53Å; Y22-A67 VanDerWaalsContact CA-O 3.22Å; Y22-A67 WeakPolarHBondContact CA-O 3.41Å; Y22-A67 WeakPolarHBondContact CB-O 3.42Å; Y22-L101 HydrophobicContact CD1-CD2 4.09Å; Y22-L101 HydrophobicContact CE1-CD2 3.54Å
23	R	98.8	Very high	92.7	Very high	29 Å²	29	59.5 Å²	59.5	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.7	165.9	-60.4	179.2	173	-74.3	-1.9	108.6	E8 F21 L55 V66 A67	E8-R23 HydrophobicContact CG-CG 4.47Å; E8-R23 IonicContact OE1-CZ 3.35Å; E8-R23 IonicContact OE1-NH1 2.83Å; E8-R23 PolarHBondContact OE1-NH1 3.34Å; E8-R23 IonicContact OE1-NH2 2.68Å; E8-R23 PolarHBondContact OE1-NH2 2.99Å; F21-R23 HydrophobicContact CE1-CG 3.65Å; F21-R23 HydrophobicContact CZ-CG 3.99Å; R23-L55 HydrophobicContact CB-CD1 4Å; R23-V66 CarbonylContact O-C 3.57Å; R23-V66 WeakPolarHBondContact O-CA 3.46Å; R23-A67 PolarHBondContact N-O 3.22Å; R23-A67 PolarHBondContact O-N 3.38Å
24	Q	98.3	Very high	92.8	Very high	15 Å²	15	60.5 Å²	60.5	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.2	179.4	171.8	173	-58.8	0	0	110.9	M6 S7 Y22 E26 R64 A65 V66	M6-Q24 WeakPolarHBondContact CA-O 3.39Å; S7-Q24 PolarHBondContact N-O 2.93Å; S7-Q24 PolarHBondContact O-N 3.36Å; Y22-Q24 HydrophobicContact CD2-CB 4.15Å; Y22-Q24 HydrophobicContact CE2-CB 4.03Å; Q24-E26 PolarHBondContact NE2-OE1 2.93Å; Q24-R64 HydrophobicContact CG-CG 4.48Å; Q24-A65 CarbonylContact C-O 3.59Å; Q24-A65 VanDerWaalsContact CA-O 3.27Å; Q24-A65 WeakPolarHBondContact CA-O 3.03Å; Q24-V66 HydrophobicContact CB-CG2 4.24Å; Q24-V66 HydrophobicContact CG-CG2 4.14Å
25	S	98.2	Very high	93.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.1	165.4	65.9	0	0	0	0	111.2	K5 M6 L55 R64 A65	K5-S25 CarbonylContact O-C 3.56Å; K5-S25 VanDerWaalsContact O-CA 3.31Å; K5-S25 WeakPolarHBondContact O-CA 3.39Å; M6-S25 WeakPolarHBondContact SD-CB 3.27Å; S25-L55 PolarHBondContact OG-O 2.94Å; S25-R64 CarbonylContact O-C 3.55Å; S25-R64 WeakPolarHBondContact O-CA 3.45Å; S25-A65 PolarHBondContact N-O 3.42Å; S25-A65 PolarHBondContact O-N 3.29Å; S25-A65 WeakPolarHBondContact OG-CB 3.39Å
26	E	96.7	Very high	94	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.8	177.1	63.6	-165.5	84.9	0	0	110.6	K5 Q24 A28	K5-E26 HydrophobicContact CB-CG 3.74Å; K5-E26 HydrophobicContact CD-CG 3.98Å; K5-E26 HydrophobicContact CG-CG 4.02Å; K5-E26 PolarHBondContact N-O 2.64Å; K5-E26 IonicContact NZ-OE1 3.86Å; K5-E26 PolarHBondContact NZ-OE1 3.02Å; K5-E26 IonicContact NZ-OE2 2.72Å; K5-E26 PolarHBondContact NZ-OE2 3.3Å; K5-E26 PolarHBondContact O-N 3.35Å; Q24-E26 PolarHBondContact NE2-OE1 2.93Å; E26-A28 PolarHBondContact O-N 3.39Å
27	P	95.6	Very high	94.6	Very high	18 Å²	18	50.3 Å²	50.3	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	133.8	170.3	-19.9	32.5	0	0	0	109.8	A29 A32	P27-A29 PolarHBondContact O-N 2.96Å; P27-A32 HydrophobicContact CG-CB 4.44Å
28	A	89.4	Confident	95.2	Very high	56 Å²	56	41.3 Å²	41.3	46%	0.463	25%	0.248	S	C	.	.	S	Bend	trans	-71.9	-14.9	-179.6	0	0	0	0	0	113.8	A3 E26	A3-A28 HydrophobicContact CB-CB 3.57Å; A3-A28 WeakPolarHBondContact O-CB 3.34Å; A3-A28 PolarHBondContact O-N 3.49Å; E26-A28 PolarHBondContact O-N 3.39Å
29	A	86.1	Confident	95.4	Very high	75 Å²	75	40.4 Å²	40.4	62%	0.62	24%	0.24	S	C	*	.	S	Bend	trans	-138.3	140	176.2	0	0	0	0	0	110.3	P27	P27-A29 PolarHBondContact O-N 2.96Å
30	G	83.4	Confident	95.5	Very high	69 Å²	69	38 Å²	38	71%	0.711	23%	0.225	S	C	*	.	S	Bend	trans	80.6	168.9	-176.7	0	0	0	0	0	113.5
31	E	87.6	Confident	95.5	Very high	188 Å²	188	38.1 Å²	38.1	88%	0.879	23%	0.226	S	C	*	.			trans	-79.8	143.7	174.6	-68.3	-179.3	176.9	0	0	110.7	K33	E31-K33 PolarHBondContact O-N 2.96Å
32	A	93.4	Very high	95.4	Very high	43 Å²	43	41.6 Å²	41.6	36%	0.355	24%	0.244	S	C	.	.			trans	-66.8	133	173.5	0	0	0	0	0	110.5	P27 M34 G62 R64	P27-A32 HydrophobicContact CG-CB 4.44Å; A32-M34 VanDerWaalsContact C-N 3.34Å; A32-G62 CarbonylContact C-O 3.52Å; A32-G62 WeakPolarHBondContact CA-O 3.39Å; A32-R64 HydrophobicContact CB-CB 3.64Å
33	K	93.4	Very high	95.3	Very high	164 Å²	164	48.8 Å²	48.8	71%	0.713	27%	0.271	S	S	*	.	S	Bend	trans	-74	-27	-178.3	-62.6	179.9	-179.2	177.3	0	113.1	E31 G62	E31-K33 PolarHBondContact O-N 2.96Å; K33-G62 PolarHBondContact N-O 3.43Å
34	M	95.6	Very high	95.3	Very high	26 Å²	26	49.2 Å²	49.2	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.1	-178.1	64.8	-173.9	79.8	0	0	111.1	A32 C63 R64 L208	A32-M34 VanDerWaalsContact C-N 3.34Å; M34-C63 HydrophobicContact CG-CB 4.03Å; M34-C63 WeakPolarHBondContact CG-SG 3.41Å; M34-C63 CarbonylContact O-C 3.53Å; M34-C63 WeakPolarHBondContact O-CA 3.46Å; M34-C63 VanDerWaalsContact SD-SG 3.64Å; M34-R64 PolarHBondContact O-N 2.86Å; M34-L208 HydrophobicContact SD-CB 4.25Å; M34-L208 HydrophobicContact SD-CD2 4.04Å
35	S	98.5	Very high	95.3	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.7	173.4	-63.3	0	0	0	0	110.4	R64 L103 V107	S35-R64 CarbonylContact C-O 3.57Å; S35-R64 VanDerWaalsContact CA-O 3.31Å; S35-R64 WeakPolarHBondContact CA-O 3.49Å; S35-L103 WeakPolarHBondContact CB-O 3.4Å; S35-L103 PolarHBondContact OG-O 3Å; S35-V107 PolarHBondContact O-N 3.5Å
36	V	98.9	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.8	177	-175.2	0	0	0	0	108.6	L38 L58 C63 R64 A65 V66 V107 I109	V36-L38 HydrophobicContact CG1-CD1 4.06Å; V36-L38 HydrophobicContact CG1-CG 4.36Å; V36-L58 HydrophobicContact CB-CD1 4.26Å; V36-L58 HydrophobicContact CG1-CD1 3.9Å; V36-L58 HydrophobicContact CG2-CD2 4.39Å; V36-C63 HydrophobicContact CG2-CB 3.89Å; V36-R64 PolarHBondContact N-O 2.82Å; V36-A65 HydrophobicContact CB-CB 4.37Å; V36-A65 CarbonylContact O-C 3.47Å; V36-A65 WeakPolarHBondContact O-CA 3.45Å; V36-V66 PolarHBondContact O-N 3.32Å; V36-V107 CarbonylContact C-O 3.54Å; V36-V107 WeakPolarHBondContact CA-O 3.27Å; V36-V107 HydrophobicContact CG1-CB 4.37Å; V36-V107 HydrophobicContact CG2-CB 4.19Å; V36-I109 HydrophobicContact CG1-CD1 3.78Å; V36-I109 HydrophobicContact CG1-CG1 3.97Å
37	L	98.9	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.7	171.9	178.8	65.1	0	0	0	109.1	L39 V66 L68 L94 L103 V106 V107 I109	L37-L39 HydrophobicContact CD1-CD2 4.4Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CG-CD2 4.01Å; L37-V66 CarbonylContact C-O 3.53Å; L37-V66 WeakPolarHBondContact CA-O 3.31Å; L37-L68 HydrophobicContact CD1-CB 4.17Å; L37-L94 HydrophobicContact CD2-CD2 4.29Å; L37-L103 HydrophobicContact CD1-CD1 4.33Å; L37-V106 HydrophobicContact CB-CG2 3.69Å; L37-V107 PolarHBondContact N-O 3.16Å; L37-I109 PolarHBondContact O-N 2.86Å
38	L	98.9	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	175.7	-57.7	91.8	0	0	0	109.7	V36 W49 T54 L55 L58 A65 V66 A67 L68 I109	V36-L38 HydrophobicContact CG1-CD1 4.06Å; V36-L38 HydrophobicContact CG1-CG 4.36Å; L38-W49 HydrophobicContact CB-CD2 4.38Å; L38-W49 HydrophobicContact CB-CG 4.21Å; L38-W49 HydrophobicContact CD2-CB 4.27Å; L38-W49 HydrophobicContact CD2-CD2 3.64Å; L38-W49 HydrophobicContact CD2-CE3 3.9Å; L38-W49 HydrophobicContact CD2-CG 3.83Å; L38-W49 HydrophobicContact CD2-CZ3 4.48Å; L38-T54 HydrophobicContact CD2-CG2 3.65Å; L38-L55 HydrophobicContact CD1-CD2 4.06Å; L38-L58 HydrophobicContact CD1-CD1 3.92Å; L38-L58 HydrophobicContact CD2-CD1 4.05Å; L38-L58 HydrophobicContact CG-CD1 4.41Å; L38-A65 HydrophobicContact CD1-CB 3.83Å; L38-V66 PolarHBondContact N-O 3.41Å; L38-A67 HydrophobicContact CB-CB 4.07Å; L38-A67 WeakPolarHBondContact O-CA 3.38Å; L38-L68 PolarHBondContact O-N 3.27Å; L38-I109 HydrophobicContact CD2-CD1 4.06Å; L38-I109 HydrophobicContact CG-CB 4.43Å; L38-I109 HydrophobicContact CG-CD1 4.08Å
39	L	98.9	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.			trans	-97.3	178.4	170.4	-51.2	178.9	0	0	0	109.7	L37 W49 L68 L70 L94 V108 I109 P111	L37-L39 HydrophobicContact CD1-CD2 4.4Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CG-CD2 4.01Å; L39-W49 WeakPolarHBondContact O-CZ2 3.09Å; L39-W49 PolarHBondContact O-NE1 2.92Å; L39-L68 HydrophobicContact CD2-CB 4.44Å; L39-L68 HydrophobicContact CD2-CD2 4.23Å; L39-L70 HydrophobicContact CD2-CD2 4.3Å; L39-L94 HydrophobicContact CD1-CD1 3.9Å; L39-L94 HydrophobicContact CD1-CD2 4.41Å; L39-L94 HydrophobicContact CD2-CD2 4.14Å; L39-V108 HydrophobicContact CD1-CG1 4.14Å; L39-I109 PolarHBondContact N-O 2.93Å; L39-P111 WeakPolarHBondContact O-CD 3.46Å
40	H	98.8	Very high	96.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.254	C	S	.	.			trans	-142.1	162.6	-177.2	66.4	81.3	0	0	0	113.4	F44 L68 L70 S114	H40-F44 HydrophobicContact CB-CB 4.27Å; H40-F44 PolarHBondContact CE1-O 3.32Å; H40-F44 PolarHBondContact ND1-O 3.46Å; H40-L68 PolarHBondContact CD2-O 3.42Å; H40-L70 PolarHBondContact NE2-N 3.26Å; H40-L70 WeakPolarHBondContact O-CD1 3.43Å; H40-S114 WeakPolarHBondContact O-CB 3.18Å
41	G	97.8	Very high	97.3	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.021	25%	0.25	C	C	.	.			trans	-77.7	166	170	0	0	0	0	0	112.4	R43 F44	G41-R43 PolarHBondContact O-N 2.91Å; G41-R43 VanDerWaalsContact O-N 3.09Å; G41-F44 PolarHBondContact O-N 3.34Å
42	I	97.7	Very high	97.8	Very high	89 Å²	89	43.7 Å²	43.7	46%	0.456	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-172.7	-163.1	165.7	0	0	0	114.9	L73 L113	I42-L73 HydrophobicContact CG1-CD1 4.39Å; I42-L73 HydrophobicContact CG1-CD2 4.38Å; I42-L113 HydrophobicContact CB-CB 4.18Å; I42-L113 HydrophobicContact CB-CD2 3.8Å; I42-L113 HydrophobicContact CB-CG 4.38Å; I42-L113 HydrophobicContact CG1-CD2 4.06Å
43	R	97.3	Very high	98	Very high	187 Å²	187	42.6 Å²	42.6	71%	0.706	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.6	-179.3	-64.2	-169.1	-65.6	175.2	-1	114	G41	G41-R43 PolarHBondContact O-N 2.91Å; G41-R43 VanDerWaalsContact O-N 3.09Å
44	F	98.1	Very high	98.3	Very high	38 Å²	38	34.8 Å²	34.8	17%	0.167	17%	0.172	C	C	.	.			trans	-127.6	178.8	-169	-56.7	-60	0	0	0	110.8	H40 G41 N48 P191 Y193 L194	H40-F44 HydrophobicContact CB-CB 4.27Å; H40-F44 PolarHBondContact CE1-O 3.32Å; H40-F44 PolarHBondContact ND1-O 3.46Å; G41-F44 PolarHBondContact O-N 3.34Å; F44-N48 VanDerWaalsContact CA-OD1 3.28Å; F44-N48 WeakPolarHBondContact CA-OD1 3.43Å; F44-N48 HydrophobicContact CB-CB 4.34Å; F44-N48 WeakPolarHBondContact CB-OD1 3.36Å; F44-N48 WeakPolarHBondContact CD1-ND2 3.43Å; F44-P191 HydrophobicContact CE2-CB 3.84Å; F44-P191 HydrophobicContact CZ-CB 3.89Å; F44-P191 HydrophobicContact CZ-CG 4.31Å; F44-Y193 WeakPolarHBondContact CD2-OH 3.39Å; F44-L194 HydrophobicContact CD1-CD1 4.33Å; F44-L194 HydrophobicContact CE1-CD1 3.54Å; F44-L194 HydrophobicContact CE2-CD1 4.38Å; F44-L194 HydrophobicContact CZ-CD1 3.56Å
45	S	98.8	Very high	98.4	Very high	14 Å²	14	33.6 Å²	33.6	10%	0.098	17%	0.166	C	C	.	.			trans	-151.8	-176.6	175.5	69.7	0	0	0	0	110.5	E47 N48 D69	S45-E47 PolarHBondContact O-N 3.07Å; S45-E47 VanDerWaalsContact O-N 3.15Å; S45-E47 WeakPolarHBondContact OG-CB 3.17Å; S45-E47 PolarHBondContact OG-N 3.5Å; S45-N48 PolarHBondContact N-OD1 3.02Å; S45-N48 PolarHBondContact O-N 2.86Å; S45-N48 VanDerWaalsContact O-N 3.11Å; S45-N48 PolarHBondContact O-OD1 3.35Å; S45-D69 WeakPolarHBondContact CB-OD1 3.17Å
46	S	98.7	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53.7	-26.9	170	62.5	0	0	0	0	113.7	N48 W49 L50 A67 D69	S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.47Å; S46-W49 PolarHBondContact O-N 3.26Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-A67 WeakPolarHBondContact CB-O 3.2Å; S46-D69 WeakPolarHBondContact CA-OD1 3.08Å; S46-D69 WeakPolarHBondContact CB-OD1 3.38Å; S46-D69 PolarHBondContact N-OD1 2.78Å; S46-D69 PolarHBondContact OG-OD1 3.11Å
47	E	98.6	Very high	98.3	Very high	94 Å²	94	38.4 Å²	38.4	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-64	-33.5	177.7	-176.3	170.9	-109.7	0	0	112.3	S45 W49 L50 N51	S45-E47 PolarHBondContact O-N 3.07Å; S45-E47 VanDerWaalsContact O-N 3.15Å; S45-E47 WeakPolarHBondContact OG-CB 3.17Å; S45-E47 PolarHBondContact OG-N 3.5Å; E47-W49 VanDerWaalsContact C-N 3.32Å; E47-W49 PolarHBondContact O-N 2.9Å; E47-L50 WeakPolarHBondContact O-CB 3.35Å; E47-L50 PolarHBondContact O-N 3.35Å; E47-N51 WeakPolarHBondContact O-CB 3.35Å; E47-N51 VanDerWaalsContact O-CG 3.23Å; E47-N51 PolarHBondContact O-N 2.86Å
48	N	98.5	Very high	98.3	Very high	39 Å²	39	38.4 Å²	38.4	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-40.3	177.2	-66.3	93.8	0	0	0	111.5	F44 S45 S46 L50 N51 I52	F44-N48 VanDerWaalsContact CA-OD1 3.28Å; F44-N48 WeakPolarHBondContact CA-OD1 3.43Å; F44-N48 HydrophobicContact CB-CB 4.34Å; F44-N48 WeakPolarHBondContact CB-OD1 3.36Å; F44-N48 WeakPolarHBondContact CD1-ND2 3.43Å; S45-N48 PolarHBondContact N-OD1 3.02Å; S45-N48 PolarHBondContact O-N 2.86Å; S45-N48 VanDerWaalsContact O-N 3.11Å; S45-N48 PolarHBondContact O-OD1 3.35Å; S46-N48 VanDerWaalsContact C-N 3.3Å; S46-N48 PolarHBondContact O-N 3.47Å; N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 2.94Å; N48-N51 PolarHBondContact O-N 2.6Å; N48-I52 WeakPolarHBondContact O-CG1 3.38Å; N48-I52 PolarHBondContact O-N 3.42Å
49	W	98.7	Very high	98.2	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-32.2	176.7	-65.3	122.2	0	0	0	113.2	L38 L39 S46 E47 I52 T54 L55 A67 I109 P111 Y193 W200	L38-W49 HydrophobicContact CB-CD2 4.38Å; L38-W49 HydrophobicContact CB-CG 4.21Å; L38-W49 HydrophobicContact CD2-CB 4.27Å; L38-W49 HydrophobicContact CD2-CD2 3.64Å; L38-W49 HydrophobicContact CD2-CE3 3.9Å; L38-W49 HydrophobicContact CD2-CG 3.83Å; L38-W49 HydrophobicContact CD2-CZ3 4.48Å; L39-W49 WeakPolarHBondContact O-CZ2 3.09Å; L39-W49 PolarHBondContact O-NE1 2.92Å; S46-W49 PolarHBondContact O-N 3.26Å; E47-W49 VanDerWaalsContact C-N 3.32Å; E47-W49 PolarHBondContact O-N 2.9Å; W49-I52 HydrophobicContact CE3-CD1 3.77Å; W49-I52 HydrophobicContact CE3-CG1 4.37Å; W49-I52 HydrophobicContact CZ3-CD1 3.9Å; W49-T54 HydrophobicContact CE3-CG2 3.88Å; W49-T54 HydrophobicContact CZ3-CG2 4.24Å; W49-T54 PolarHBondContact O-N 3.28Å; W49-L55 HydrophobicContact CB-CG 4.32Å; W49-L55 PolarHBondContact O-N 2.92Å; W49-A67 HydrophobicContact CB-CB 4.19Å; W49-A67 HydrophobicContact CG-CB 4.36Å; W49-I109 HydrophobicContact CH2-CG2 4.21Å; W49-I109 HydrophobicContact CZ2-CG2 4.26Å; W49-P111 HydrophobicContact CZ2-CG 4Å; W49-Y193 HydrophobicContact CH2-CD1 4.25Å; W49-Y193 AromaticContact CH2-CD2 3.89Å; W49-Y193 HydrophobicContact CH2-CD2 3.89Å; W49-Y193 HydrophobicContact CH2-CE1 4.45Å; W49-Y193 HydrophobicContact CH2-CE2 4.09Å; W49-Y193 AromaticContact CH2-CG 3.98Å; W49-Y193 HydrophobicContact CH2-CG 3.98Å; W49-Y193 AromaticContact CZ3-CD2 3.88Å; W49-Y193 HydrophobicContact CZ3-CD2 3.88Å; W49-Y193 HydrophobicContact CZ3-CE2 4.37Å; W49-Y193 HydrophobicContact CZ3-CG 4.15Å; W49-W200 HydrophobicContact CH2-CH2 4.38Å; W49-W200 AromaticContact CH2-CZ2 3.78Å; W49-W200 HydrophobicContact CH2-CZ2 3.78Å; W49-W200 AromaticContact CZ3-CE2 3.88Å; W49-W200 AromaticContact CZ3-CZ2 3.63Å; W49-W200 HydrophobicContact CZ3-CZ2 3.63Å; W49-W200 AromaticContact CZ3-NE1 3.83Å
50	L	98.1	Very high	98	Very high	60 Å²	60	43.2 Å²	43.2	31%	0.314	21%	0.211	S	C	.	.	H	α-helix	trans	-67.4	-51.3	171	178.4	65.9	0	0	0	110.7	M6 S46 E47 N48 I52 G53 L55	M6-L50 HydrophobicContact SD-CD1 4.45Å; S46-L50 PolarHBondContact O-N 2.83Å; E47-L50 WeakPolarHBondContact O-CB 3.35Å; E47-L50 PolarHBondContact O-N 3.35Å; N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 2.94Å; L50-I52 VanDerWaalsContact C-N 3.32Å; L50-I52 PolarHBondContact O-N 3.28Å; L50-G53 PolarHBondContact O-N 2.99Å; L50-L55 HydrophobicContact CB-CD1 4.12Å; L50-L55 HydrophobicContact CD1-CD1 4.32Å
51	N	98.3	Very high	97.9	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	23%	0.228	S	C	*	.	H	α-helix	trans	-63.9	-34.9	-174.2	-70.3	-12.2	0	0	0	113.1	E47 N48 G53	E47-N51 WeakPolarHBondContact O-CB 3.35Å; E47-N51 VanDerWaalsContact O-CG 3.23Å; E47-N51 PolarHBondContact O-N 2.86Å; N48-N51 PolarHBondContact O-N 2.6Å; N51-G53 VanDerWaalsContact C-N 3.29Å
52	I	97.9	Very high	97.8	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.128	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.2	176	73.5	174.6	0	0	0	113.4	N48 W49 L50 T54 Y193 L194 L197 H201	N48-I52 WeakPolarHBondContact O-CG1 3.38Å; N48-I52 PolarHBondContact O-N 3.42Å; W49-I52 HydrophobicContact CE3-CD1 3.77Å; W49-I52 HydrophobicContact CE3-CG1 4.37Å; W49-I52 HydrophobicContact CZ3-CD1 3.9Å; L50-I52 VanDerWaalsContact C-N 3.32Å; L50-I52 PolarHBondContact O-N 3.28Å; I52-T54 VanDerWaalsContact C-N 3.28Å; I52-T54 WeakPolarHBondContact CD1-OG1 3.47Å; I52-T54 VanDerWaalsContact CG1-OG1 3.32Å; I52-T54 WeakPolarHBondContact CG1-OG1 3.32Å; I52-T54 PolarHBondContact O-N 3.42Å; I52-Y193 HydrophobicContact CD1-CD2 4.07Å; I52-L194 HydrophobicContact CD1-CD2 4.04Å; I52-L194 HydrophobicContact CG2-CD2 3.49Å; I52-L194 VanDerWaalsContact CG2-CD2 3.49Å; I52-L197 HydrophobicContact CB-CD2 3.83Å; I52-L197 HydrophobicContact CD1-CD2 4.33Å; I52-L197 HydrophobicContact CG2-CD2 4.03Å; I52-H201 PolarHBondContact O-CE1 2.92Å; I52-H201 PolarHBondContact O-NE2 3.32Å
53	G	98.2	Very high	97.8	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	11.8	175.7	0	0	0	0	0	115.6	L50 N51 L55 E56 T57	L50-G53 PolarHBondContact O-N 2.99Å; N51-G53 VanDerWaalsContact C-N 3.29Å; G53-L55 PolarHBondContact O-N 2.63Å; G53-E56 PolarHBondContact O-N 3.49Å; G53-T57 WeakPolarHBondContact O-CB 3.37Å; G53-T57 PolarHBondContact O-N 2.96Å; G53-T57 PolarHBondContact O-OG1 3.4Å
54	T	98.6	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-40.7	179.5	-62	0	0	0	0	111.5	L38 W49 I52 E56 T57 L58 W200 H201 L204	L38-T54 HydrophobicContact CD2-CG2 3.65Å; W49-T54 HydrophobicContact CE3-CG2 3.88Å; W49-T54 HydrophobicContact CZ3-CG2 4.24Å; W49-T54 PolarHBondContact O-N 3.28Å; I52-T54 VanDerWaalsContact C-N 3.28Å; I52-T54 WeakPolarHBondContact CD1-OG1 3.47Å; I52-T54 VanDerWaalsContact CG1-OG1 3.32Å; I52-T54 WeakPolarHBondContact CG1-OG1 3.32Å; I52-T54 PolarHBondContact O-N 3.42Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 3.33Å; T54-T57 PolarHBondContact O-N 3.36Å; T54-L58 HydrophobicContact CG2-CD1 4Å; T54-L58 HydrophobicContact CG2-CG 4.36Å; T54-L58 WeakPolarHBondContact O-CB 3.42Å; T54-L58 VanDerWaalsContact O-CG 3.32Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.46Å; T54-W200 PolarHBondContact OG1-NE1 3.03Å; T54-H201 PolarHBondContact OG1-NE2 3.47Å; T54-L204 HydrophobicContact CG2-CD2 4.12Å
55	L	98.4	Very high	97.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-47.4	174.7	-72.4	178.9	0	0	0	111.2	M6 R23 S25 L38 W49 L50 G53 T57 L58 A59 A65 A67	M6-L55 HydrophobicContact CE-CB 3.85Å; M6-L55 HydrophobicContact SD-CB 4.29Å; R23-L55 HydrophobicContact CB-CD1 4Å; S25-L55 PolarHBondContact OG-O 2.94Å; L38-L55 HydrophobicContact CD1-CD2 4.06Å; W49-L55 HydrophobicContact CB-CG 4.32Å; W49-L55 PolarHBondContact O-N 2.92Å; L50-L55 HydrophobicContact CB-CD1 4.12Å; L50-L55 HydrophobicContact CD1-CD1 4.32Å; G53-L55 PolarHBondContact O-N 2.63Å; L55-T57 PolarHBondContact O-N 3.04Å; L55-L58 PolarHBondContact O-N 3.09Å; L55-A59 PolarHBondContact O-N 3.02Å; L55-A65 HydrophobicContact CD2-CB 3.83Å; L55-A67 HydrophobicContact CD1-CB 4.43Å; L55-A67 HydrophobicContact CD2-CB 4.03Å
56	E	97.6	Very high	97.8	Very high	84 Å²	84	32.7 Å²	32.7	39%	0.393	18%	0.175	S	C	.	.	H	α-helix	trans	-64	-42.4	179.2	-167.4	-173.4	179.3	0	0	111.9	V4 M6 G53 T54 L58 A59 K60	V4-E56 HydrophobicContact CB-CG 4.45Å; V4-E56 HydrophobicContact CG2-CG 4.02Å; M6-E56 HydrophobicContact CE-CB 3.92Å; G53-E56 PolarHBondContact O-N 3.49Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 3.33Å; E56-L58 PolarHBondContact O-N 2.88Å; E56-A59 PolarHBondContact O-N 3.27Å; E56-K60 HydrophobicContact CG-CD 4.28Å; E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.37Å; E56-K60 PolarHBondContact O-N 3.34Å; E56-K60 WeakPolarHBondContact OE1-CE 3.35Å; E56-K60 IonicContact OE1-NZ 2.64Å; E56-K60 PolarHBondContact OE1-NZ 3.24Å; E56-K60 IonicContact OE2-NZ 3.81Å
57	T	97.8	Very high	97.9	Very high	35 Å²	35	32.7 Å²	32.7	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-46	178	-62.5	0	0	0	0	111.5	G53 T54 L55 K60 A61 H201 T205	G53-T57 WeakPolarHBondContact O-CB 3.37Å; G53-T57 PolarHBondContact O-N 2.96Å; G53-T57 PolarHBondContact O-OG1 3.4Å; T54-T57 PolarHBondContact O-N 3.36Å; L55-T57 PolarHBondContact O-N 3.04Å; T57-K60 PolarHBondContact O-N 3.1Å; T57-A61 PolarHBondContact O-N 2.84Å; T57-H201 HydrophobicContact CG2-CB 4.15Å; T57-T205 HydrophobicContact CG2-CG2 3.8Å
58	L	98	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-42	178	-72.1	173.5	0	0	0	112.2	V36 L38 T54 L55 E56 A61 G62 C63 A65 L204 L208	V36-L58 HydrophobicContact CB-CD1 4.26Å; V36-L58 HydrophobicContact CG1-CD1 3.9Å; V36-L58 HydrophobicContact CG2-CD2 4.39Å; L38-L58 HydrophobicContact CD1-CD1 3.92Å; L38-L58 HydrophobicContact CD2-CD1 4.05Å; L38-L58 HydrophobicContact CG-CD1 4.41Å; T54-L58 HydrophobicContact CG2-CD1 4Å; T54-L58 HydrophobicContact CG2-CG 4.36Å; T54-L58 WeakPolarHBondContact O-CB 3.42Å; T54-L58 VanDerWaalsContact O-CG 3.32Å; T54-L58 WeakPolarHBondContact O-CG 3.4Å; T54-L58 PolarHBondContact O-N 3.46Å; L55-L58 PolarHBondContact O-N 3.09Å; E56-L58 PolarHBondContact O-N 2.88Å; L58-A61 CarbonylContact O-C 3.52Å; L58-A61 WeakPolarHBondContact O-CA 3.45Å; L58-A61 WeakPolarHBondContact O-CB 3.27Å; L58-A61 PolarHBondContact O-N 2.83Å; L58-A61 VanDerWaalsContact O-N 3.15Å; L58-G62 PolarHBondContact O-N 3.45Å; L58-C63 HydrophobicContact CB-CB 4.21Å; L58-C63 VanDerWaalsContact O-CB 3.27Å; L58-C63 WeakPolarHBondContact O-CB 3.14Å; L58-C63 PolarHBondContact O-N 3.18Å; L58-A65 HydrophobicContact CB-CB 3.8Å; L58-A65 HydrophobicContact CD1-CB 3.64Å; L58-A65 HydrophobicContact CG-CB 4.39Å; L58-L204 HydrophobicContact CD1-CD2 4.49Å; L58-L204 HydrophobicContact CD2-CD2 3.88Å; L58-L204 HydrophobicContact CD2-CG 4.26Å; L58-L204 HydrophobicContact CG-CD2 4.34Å; L58-L208 HydrophobicContact CD2-CD1 3.36Å
59	A	97.4	Very high	97.9	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-41	175.6	0	0	0	0	0	112.4	V4 L55 E56 A61 G62 C63	V4-A59 HydrophobicContact CB-CB 4.21Å; V4-A59 HydrophobicContact CG1-CB 3.42Å; V4-A59 VanDerWaalsContact CG1-CB 3.42Å; V4-A59 HydrophobicContact CG2-CB 3.77Å; L55-A59 PolarHBondContact O-N 3.02Å; E56-A59 PolarHBondContact O-N 3.27Å; A59-A61 PolarHBondContact O-N 2.82Å; A59-G62 PolarHBondContact O-N 2.97Å; A59-C63 WeakPolarHBondContact CA-O 3.35Å
60	K	95.7	Very high	97.9	Very high	98 Å²	98	26.3 Å²	26.3	43%	0.426	14%	0.144	S	C	.	.	H	α-helix	trans	-63.5	-30.9	173.2	-74.1	172.9	-177.7	166.4	0	112.6	V4 E56 T57 G62	V4-K60 HydrophobicContact CG2-CG 3.88Å; E56-K60 HydrophobicContact CG-CD 4.28Å; E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.37Å; E56-K60 PolarHBondContact O-N 3.34Å; E56-K60 WeakPolarHBondContact OE1-CE 3.35Å; E56-K60 IonicContact OE1-NZ 2.64Å; E56-K60 PolarHBondContact OE1-NZ 3.24Å; E56-K60 IonicContact OE2-NZ 3.81Å; T57-K60 PolarHBondContact O-N 3.1Å; K60-G62 PolarHBondContact O-N 2.86Å
61	A	95.4	Very high	97.9	Very high	44 Å²	44	23.7 Å²	23.7	36%	0.364	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2	171.9	0	0	0	0	0	113.6	T57 L58 A59 T205	T57-A61 PolarHBondContact O-N 2.84Å; L58-A61 CarbonylContact O-C 3.52Å; L58-A61 WeakPolarHBondContact O-CA 3.45Å; L58-A61 WeakPolarHBondContact O-CB 3.27Å; L58-A61 PolarHBondContact O-N 2.83Å; L58-A61 VanDerWaalsContact O-N 3.15Å; A59-A61 PolarHBondContact O-N 2.82Å; A61-T205 HydrophobicContact CB-CG2 4.44Å
62	G	95.8	Very high	97.9	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	15.1	178.2	0	0	0	0	0	114.4	A32 K33 L58 A59 K60	A32-G62 CarbonylContact C-O 3.52Å; A32-G62 WeakPolarHBondContact CA-O 3.39Å; K33-G62 PolarHBondContact N-O 3.43Å; L58-G62 PolarHBondContact O-N 3.45Å; A59-G62 PolarHBondContact O-N 2.97Å; K60-G62 PolarHBondContact O-N 2.86Å
63	C	97.6	Very high	97.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.7	180	-54	0	0	0	0	111.8	M34 V36 L58 A59	M34-C63 HydrophobicContact CG-CB 4.03Å; M34-C63 WeakPolarHBondContact CG-SG 3.41Å; M34-C63 CarbonylContact O-C 3.53Å; M34-C63 WeakPolarHBondContact O-CA 3.46Å; M34-C63 VanDerWaalsContact SD-SG 3.64Å; V36-C63 HydrophobicContact CG2-CB 3.89Å; L58-C63 HydrophobicContact CB-CB 4.21Å; L58-C63 VanDerWaalsContact O-CB 3.27Å; L58-C63 WeakPolarHBondContact O-CB 3.14Å; L58-C63 PolarHBondContact O-N 3.18Å; A59-C63 WeakPolarHBondContact CA-O 3.35Å
64	R	98.3	Very high	97.9	Very high	53 Å²	53	23.6 Å²	23.6	20%	0.2	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	108	159.9	178.4	-178.2	174.5	-144.7	-5	107.3	Q24 S25 A32 M34 S35 V36 L101 S102	Q24-R64 HydrophobicContact CG-CG 4.48Å; S25-R64 CarbonylContact O-C 3.55Å; S25-R64 WeakPolarHBondContact O-CA 3.45Å; A32-R64 HydrophobicContact CB-CB 3.64Å; M34-R64 PolarHBondContact O-N 2.86Å; S35-R64 CarbonylContact C-O 3.57Å; S35-R64 VanDerWaalsContact CA-O 3.31Å; S35-R64 WeakPolarHBondContact CA-O 3.49Å; V36-R64 PolarHBondContact N-O 2.82Å; R64-L101 PolarHBondContact NH1-O 3.42Å; R64-L101 PolarHBondContact NH2-O 3.48Å; R64-L101 VanDerWaalsContact NH2-O 3.1Å; R64-S102 PolarHBondContact NH1-O 3.1Å
65	A	98.6	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.9	-179.9	0	0	0	0	0	110.5	Q24 S25 V36 L38 L55 L58	Q24-A65 CarbonylContact C-O 3.59Å; Q24-A65 VanDerWaalsContact CA-O 3.27Å; Q24-A65 WeakPolarHBondContact CA-O 3.03Å; S25-A65 PolarHBondContact N-O 3.42Å; S25-A65 PolarHBondContact O-N 3.29Å; S25-A65 WeakPolarHBondContact OG-CB 3.39Å; V36-A65 HydrophobicContact CB-CB 4.37Å; V36-A65 CarbonylContact O-C 3.47Å; V36-A65 WeakPolarHBondContact O-CA 3.45Å; L38-A65 HydrophobicContact CD1-CB 3.83Å; L55-A65 HydrophobicContact CD2-CB 3.83Å; L58-A65 HydrophobicContact CB-CB 3.8Å; L58-A65 HydrophobicContact CD1-CB 3.64Å; L58-A65 HydrophobicContact CG-CB 4.39Å
66	V	98.9	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.4	175.9	-179.1	0	0	0	0	108.6	Y22 R23 Q24 V36 L37 L38 L101 L103	Y22-V66 HydrophobicContact CD2-CG1 3.7Å; Y22-V66 HydrophobicContact CG-CG1 3.87Å; R23-V66 CarbonylContact O-C 3.57Å; R23-V66 WeakPolarHBondContact O-CA 3.46Å; Q24-V66 HydrophobicContact CB-CG2 4.24Å; Q24-V66 HydrophobicContact CG-CG2 4.14Å; V36-V66 PolarHBondContact O-N 3.32Å; L37-V66 CarbonylContact C-O 3.53Å; L37-V66 WeakPolarHBondContact CA-O 3.31Å; L38-V66 PolarHBondContact N-O 3.41Å; V66-L101 HydrophobicContact CG1-CD1 4.07Å; V66-L103 HydrophobicContact CB-CD1 4.3Å; V66-L103 HydrophobicContact CG2-CD1 4.31Å; V66-L103 HydrophobicContact CG2-CD2 3.81Å
67	A	98.9	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.8	172.6	0	0	0	0	0	109.7	Y22 R23 L38 S46 W49 L55	Y22-A67 CarbonylContact C-O 3.53Å; Y22-A67 VanDerWaalsContact CA-O 3.22Å; Y22-A67 WeakPolarHBondContact CA-O 3.41Å; Y22-A67 WeakPolarHBondContact CB-O 3.42Å; R23-A67 PolarHBondContact N-O 3.22Å; R23-A67 PolarHBondContact O-N 3.38Å; L38-A67 HydrophobicContact CB-CB 4.07Å; L38-A67 WeakPolarHBondContact O-CA 3.38Å; S46-A67 WeakPolarHBondContact CB-O 3.2Å; W49-A67 HydrophobicContact CB-CB 4.19Å; W49-A67 HydrophobicContact CG-CB 4.36Å; L55-A67 HydrophobicContact CD1-CB 4.43Å; L55-A67 HydrophobicContact CD2-CB 4.03Å
68	L	98.8	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.8	-175.5	-174.3	75.5	0	0	0	110.5	V11 L20 L37 L38 L39 H40 L70 V97	V11-L68 HydrophobicContact CG1-CD1 4.02Å; L20-L68 HydrophobicContact CB-CD1 3.81Å; L20-L68 HydrophobicContact CD1-CD1 4.18Å; L20-L68 HydrophobicContact CD1-CD2 4.08Å; L20-L68 HydrophobicContact CD1-CG 4.45Å; L37-L68 HydrophobicContact CD1-CB 4.17Å; L38-L68 PolarHBondContact O-N 3.27Å; L39-L68 HydrophobicContact CD2-CB 4.44Å; L39-L68 HydrophobicContact CD2-CD2 4.23Å; H40-L68 PolarHBondContact CD2-O 3.42Å; L68-L70 HydrophobicContact CD2-CD2 4.47Å; L68-V97 HydrophobicContact CD1-CG1 4.39Å; L68-V97 HydrophobicContact CD2-CG1 4.08Å; L68-V97 HydrophobicContact CD2-CG2 4.36Å
69	D	98.8	Very high	97.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.011	20%	0.196	C	C	.	.			trans	-85.8	115.5	163.3	-75.8	4	0	0	0	109.1	F21 S45 S46 G74 R75 S76	F21-D69 HydrophobicContact CB-CB 4.29Å; F21-D69 HydrophobicContact CD1-CB 4.39Å; F21-D69 WeakPolarHBondContact CD1-OD2 3.31Å; F21-D69 PolarHBondContact O-N 2.84Å; S45-D69 WeakPolarHBondContact CB-OD1 3.17Å; S46-D69 WeakPolarHBondContact CA-OD1 3.08Å; S46-D69 WeakPolarHBondContact CB-OD1 3.38Å; S46-D69 PolarHBondContact N-OD1 2.78Å; S46-D69 PolarHBondContact OG-OD1 3.11Å; D69-G74 WeakPolarHBondContact OD2-CA 3.4Å; D69-R75 PolarHBondContact OD2-N 3.28Å; D69-S76 VanDerWaalsContact CB-OG 3.31Å; D69-S76 WeakPolarHBondContact CB-OG 3.33Å; D69-S76 VanDerWaalsContact O-CB 3.29Å; D69-S76 WeakPolarHBondContact O-CB 3.49Å; D69-S76 PolarHBondContact O-OG 2.83Å
70	L	98.6	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.			trans	-62.9	156	179.4	-71.6	171.9	0	0	0	111.7	L39 H40 L68 L73 S76 F93 L113 Y117	L39-L70 HydrophobicContact CD2-CD2 4.3Å; H40-L70 PolarHBondContact NE2-N 3.26Å; H40-L70 WeakPolarHBondContact O-CD1 3.43Å; L68-L70 HydrophobicContact CD2-CD2 4.47Å; L70-L73 HydrophobicContact CB-CD1 4.4Å; L70-L73 PolarHBondContact O-N 2.98Å; L70-L73 VanDerWaalsContact O-N 3.1Å; L70-S76 WeakPolarHBondContact O-CB 3.48Å; L70-F93 HydrophobicContact CD2-CE1 4.38Å; L70-L113 HydrophobicContact CD1-CD2 4.38Å; L70-Y117 HydrophobicContact CD1-CD2 4.16Å; L70-Y117 HydrophobicContact CD1-CE2 4.07Å; L70-Y117 HydrophobicContact CD2-CD2 3.92Å; L70-Y117 HydrophobicContact CD2-CE2 4.03Å; L70-Y117 HydrophobicContact CD2-CG 4.28Å
71	P	98.4	Very high	97.7	Very high	4 Å²	4	41 Å²	41	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	143	-179.2	-24.4	31.6	0	0	0	112.9	L20 L73 A79 A81 F93	L20-P71 HydrophobicContact CD2-CB 4.38Å; L20-P71 HydrophobicContact CD2-CG 3.94Å; P71-L73 PolarHBondContact O-N 2.73Å; P71-L73 VanDerWaalsContact O-N 3.08Å; P71-A79 HydrophobicContact CB-CB 4.29Å; P71-A81 HydrophobicContact CB-CB 4.12Å; P71-F93 HydrophobicContact CG-CE2 4.03Å; P71-F93 HydrophobicContact CG-CZ 3.86Å
72	E	97.8	Very high	97.7	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	0.6	-178.5	-52	-171.6	143.6	0	0	115.2	S76 A79 K80	E72-S76 PolarHBondContact N-O 2.69Å; E72-S76 VanDerWaalsContact N-O 3.08Å; E72-A79 WeakPolarHBondContact CG-O 3.4Å; E72-A79 PolarHBondContact N-O 3.15Å; E72-K80 VanDerWaalsContact OE1-CD 3.23Å; E72-K80 WeakPolarHBondContact OE1-CD 3.07Å; E72-K80 IonicContact OE1-NZ 3.92Å; E72-K80 PolarHBondContact OE1-NZ 3.29Å
73	L	98.1	Very high	97.7	Very high	38 Å²	38	41 Å²	41	20%	0.199	21%	0.205	C	C	.	.	S	Bend	trans	-119.8	165	-177.7	-59.1	176.6	0	0	0	112.2	I42 L70 P71 R75 S76 L113	I42-L73 HydrophobicContact CG1-CD1 4.39Å; I42-L73 HydrophobicContact CG1-CD2 4.38Å; L70-L73 HydrophobicContact CB-CD1 4.4Å; L70-L73 PolarHBondContact O-N 2.98Å; L70-L73 VanDerWaalsContact O-N 3.1Å; P71-L73 PolarHBondContact O-N 2.73Å; P71-L73 VanDerWaalsContact O-N 3.08Å; L73-R75 PolarHBondContact O-N 3.18Å; L73-S76 CarbonylContact O-C 3.47Å; L73-S76 WeakPolarHBondContact O-CA 3.46Å; L73-S76 WeakPolarHBondContact O-CB 3.41Å; L73-S76 PolarHBondContact O-N 3.25Å; L73-L113 HydrophobicContact CD1-CD2 3.49Å; L73-L113 VanDerWaalsContact CD1-CD2 3.49Å
74	G	97.6	Very high	97.7	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-124.7	177.5	0	0	0	0	0	113	D69 K77	D69-G74 WeakPolarHBondContact OD2-CA 3.4Å; G74-K77 WeakPolarHBondContact O-CE 3.22Å; G74-K77 VanDerWaalsContact O-CG 3.26Å; G74-K77 WeakPolarHBondContact O-CG 3.22Å
75	R	98.4	Very high	97.7	Very high	148 Å²	148	47.9 Å²	47.9	56%	0.558	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.1	173	-66.1	179.9	67.8	-179.8	-3	113.2	E8 F21 D69 L73	E8-R75 IonicContact OE1-NH1 3.76Å; E8-R75 IonicContact OE2-CZ 2.6Å; E8-R75 IonicContact OE2-NH1 3.73Å; E8-R75 PolarHBondContact OE2-NH1 3.13Å; E8-R75 IonicContact OE2-NH2 2.7Å; F21-R75 HydrophobicContact CB-CB 3.69Å; F21-R75 HydrophobicContact CD1-CB 3.8Å; F21-R75 HydrophobicContact CD1-CG 4.26Å; F21-R75 HydrophobicContact CD2-CB 4.19Å; F21-R75 HydrophobicContact CE1-CB 4.5Å; F21-R75 HydrophobicContact CG-CB 3.61Å; F21-R75 HydrophobicContact CG-CG 4.4Å; D69-R75 PolarHBondContact OD2-N 3.28Å; L73-R75 PolarHBondContact O-N 3.18Å
76	S	98.1	Very high	97.5	Very high	2 Å²	2	49 Å²	49	1%	0.014	27%	0.268	C	S	.	.			trans	-94.4	26.3	175.2	-60.4	0	0	0	0	113.1	L20 F21 D69 L70 E72 L73 L78 A79	L20-S76 WeakPolarHBondContact CA-OG 3.36Å; F21-S76 PolarHBondContact N-OG 2.86Å; D69-S76 VanDerWaalsContact CB-OG 3.31Å; D69-S76 WeakPolarHBondContact CB-OG 3.33Å; D69-S76 VanDerWaalsContact O-CB 3.29Å; D69-S76 WeakPolarHBondContact O-CB 3.49Å; D69-S76 PolarHBondContact O-OG 2.83Å; L70-S76 WeakPolarHBondContact O-CB 3.48Å; E72-S76 PolarHBondContact N-O 2.69Å; E72-S76 VanDerWaalsContact N-O 3.08Å; L73-S76 CarbonylContact O-C 3.47Å; L73-S76 WeakPolarHBondContact O-CA 3.46Å; L73-S76 WeakPolarHBondContact O-CB 3.41Å; L73-S76 PolarHBondContact O-N 3.25Å; S76-L78 PolarHBondContact O-N 3Å; S76-L78 VanDerWaalsContact O-N 3.08Å; S76-A79 WeakPolarHBondContact O-CB 3.37Å; S76-A79 PolarHBondContact O-N 3.25Å
77	K	96.2	Very high	97.4	Very high	152 Å²	152	53.5 Å²	53.5	66%	0.661	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	-173.2	-61.5	-174.1	-178.5	-179.7	0	115	G74	G74-K77 WeakPolarHBondContact O-CE 3.22Å; G74-K77 VanDerWaalsContact O-CG 3.26Å; G74-K77 WeakPolarHBondContact O-CG 3.22Å
78	L	96.5	Very high	97.4	Very high	149 Å²	149	55.6 Å²	55.6	78%	0.78	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.4	-179.5	-61.2	179.8	0	0	0	112.7	A18 S76	A18-L78 HydrophobicContact CB-CB 4.11Å; S76-L78 PolarHBondContact O-N 3Å; S76-L78 VanDerWaalsContact O-N 3.08Å
79	A	97	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-72.1	134	176.4	0	0	0	0	0	110.1	C16 A18 L20 P71 E72 S76	C16-A79 HydrophobicContact CB-CB 4Å; C16-A79 CarbonylContact O-C 3.59Å; C16-A79 WeakPolarHBondContact O-CA 3.32Å; A18-A79 HydrophobicContact CB-CB 4.44Å; L20-A79 HydrophobicContact CD2-CB 3.39Å; P71-A79 HydrophobicContact CB-CB 4.29Å; E72-A79 WeakPolarHBondContact CG-O 3.4Å; E72-A79 PolarHBondContact N-O 3.15Å; S76-A79 WeakPolarHBondContact O-CB 3.37Å; S76-A79 PolarHBondContact O-N 3.25Å
80	K	96.9	Very high	97.3	Very high	104 Å²	104	59.2 Å²	59.2	45%	0.452	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-86.7	133.8	179.6	-69.8	-50.5	-166	-177.7	0	111.9	C16 K17 E72	C16-K80 PolarHBondContact O-N 2.76Å; C16-K80 PolarHBondContact SG-O 2.82Å; K17-K80 HydrophobicContact CD-CG 4.47Å; E72-K80 VanDerWaalsContact OE1-CD 3.23Å; E72-K80 WeakPolarHBondContact OE1-CD 3.07Å; E72-K80 IonicContact OE1-NZ 3.92Å; E72-K80 PolarHBondContact OE1-NZ 3.29Å
81	A	96.3	Very high	97.3	Very high	31 Å²	31	59.4 Å²	59.4	26%	0.256	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.9	134.2	174.3	0	0	0	0	0	109.8	P71 A83	P71-A81 HydrophobicContact CB-CB 4.12Å; A81-A83 PolarHBondContact O-N 3.44Å
82	P	95.9	Very high	97.2	Very high	35 Å²	35	61.8 Å²	61.8	23%	0.227	35%	0.348	C	S	.	.	S	Bend	trans	-75.9	-7.3	179.4	33.4	-38.5	0	0	0	113.1	A89 P90 F93 Y117	P82-A89 HydrophobicContact CG-CB 4.01Å; P82-P90 HydrophobicContact CB-CG 4.39Å; P82-F93 HydrophobicContact CG-CB 4.4Å; P82-F93 HydrophobicContact CG-CD2 4.06Å; P82-F93 HydrophobicContact CG-CG 4.17Å; P82-Y117 HydrophobicContact CG-CE1 3.85Å
83	A	96.9	Very high	97.2	Very high	23 Å²	23	57.6 Å²	57.6	19%	0.19	33%	0.328	C	S	.	.	S	Bend	trans	-152.4	158.8	174.3	0	0	0	0	0	111.1	A81 A89 M116	A81-A83 PolarHBondContact O-N 3.44Å; A83-A89 HydrophobicContact CB-CB 4.19Å; A83-M116 HydrophobicContact CB-CE 4.28Å
84	S	97.2	Very high	97.2	Very high	93 Å²	93	55.8 Å²	55.8	65%	0.65	32%	0.319	S	S	*	.			trans	-68.6	147.4	173.1	-61.7	0	0	0	0	111.5	G86 E87 M116	S84-G86 PolarHBondContact O-N 3.02Å; S84-E87 PolarHBondContact O-N 3.38Å; S84-M116 WeakPolarHBondContact O-CE 3.36Å
85	V	97.1	Very high	97.3	Very high	104 Å²	104	57.4 Å²	57.4	63%	0.63	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128.3	175.7	177.3	0	0	0	0	110.6	L113	V85-L113 HydrophobicContact CG1-CD1 3.86Å; V85-L113 HydrophobicContact CG2-CD1 4.34Å
86	G	94.6	Very high	97.2	Very high	24 Å²	24	52 Å²	52	25%	0.247	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-10.5	-177.8	0	0	0	0	0	114.5	S84 C139 K142	S84-G86 PolarHBondContact O-N 3.02Å; G86-C139 VanDerWaalsContact C-SG 3.56Å; G86-C139 PolarHBondContact O-SG 2.95Å; G86-K142 VanDerWaalsContact O-CE 3.28Å; G86-K142 WeakPolarHBondContact O-CE 3.31Å
87	E	98	Very high	97.2	Very high	95 Å²	95	51.9 Å²	51.9	44%	0.444	30%	0.298	S	S	.	.	S	Bend	trans	-104.6	138.7	172.5	-62.6	-52	143	0	0	111.7	S84 A89 M116 K142	S84-E87 PolarHBondContact O-N 3.38Å; E87-A89 PolarHBondContact O-N 2.84Å; E87-M116 WeakPolarHBondContact O-CE 3.28Å; E87-K142 IonicContact OE1-NZ 3.59Å; E87-K142 PolarHBondContact OE1-NZ 3.08Å; E87-K142 IonicContact OE2-NZ 3.29Å; E87-K142 PolarHBondContact OE2-NZ 3.1Å
88	P	98.2	Very high	97.3	Very high	44 Å²	44	44.6 Å²	44.6	29%	0.286	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-56.9	127.5	176.1	-23.2	33.4	0	0	0	111.7	P120 K142 F143	P88-P120 HydrophobicContact CB-CG 3.78Å; P88-K142 HydrophobicContact CG-CB 3.93Å; P88-K142 HydrophobicContact CG-CG 4.08Å; P88-F143 HydrophobicContact CB-CZ 4.11Å; P88-F143 HydrophobicContact CG-CZ 4.1Å
89	A	98.1	Very high	97.4	Very high	5 Å²	5	42 Å²	42	4%	0.041	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-72.2	158.3	171.8	0	0	0	0	0	110.8	P82 A83 E87 A91 M116 Y117 P120	P82-A89 HydrophobicContact CG-CB 4.01Å; A83-A89 HydrophobicContact CB-CB 4.19Å; E87-A89 PolarHBondContact O-N 2.84Å; A89-A91 PolarHBondContact O-N 3.45Å; A89-M116 PolarHBondContact N-O 3.08Å; A89-Y117 HydrophobicContact CB-CD1 3.49Å; A89-Y117 VanDerWaalsContact CB-CD1 3.49Å; A89-Y117 HydrophobicContact CB-CE1 3.8Å; A89-Y117 HydrophobicContact CB-CG 4.26Å; A89-P120 WeakPolarHBondContact O-CB 3.37Å; A89-P120 VanDerWaalsContact O-CG 3.22Å; A89-P120 WeakPolarHBondContact O-CG 3.42Å
90	P	97.9	Very high	97.4	Very high	72 Å²	72	47.7 Å²	47.7	47%	0.468	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-55.8	129.5	171.5	-24	34.3	0	0	0	111.3	P82 A92 F93	P82-P90 HydrophobicContact CB-CG 4.39Å; P90-A92 PolarHBondContact O-N 3.3Å; P90-A92 VanDerWaalsContact O-N 3.1Å; P90-F93 VanDerWaalsContact O-CB 3.3Å; P90-F93 WeakPolarHBondContact O-CB 3.4Å; P90-F93 PolarHBondContact O-N 2.93Å
91	A	97.5	Very high	97.4	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.7	179.6	0	0	0	0	0	113.2	A89 F93 P120 E124	A89-A91 PolarHBondContact O-N 3.45Å; A91-F93 PolarHBondContact O-N 3.17Å; A91-P120 HydrophobicContact CB-CB 3.77Å; A91-P120 WeakPolarHBondContact CB-O 3.32Å; A91-E124 HydrophobicContact CB-CB 3.8Å; A91-E124 VanDerWaalsContact CB-CD 3.46Å; A91-E124 HydrophobicContact CB-CG 4.08Å
92	A	97.1	Very high	97.5	Very high	55 Å²	55	46.3 Å²	46.3	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-25.8	175.5	0	0	0	0	0	113.6	P90 K95 E96	P90-A92 PolarHBondContact O-N 3.3Å; P90-A92 VanDerWaalsContact O-N 3.1Å; A92-K95 WeakPolarHBondContact O-CB 3.26Å; A92-K95 PolarHBondContact O-N 2.89Å; A92-E96 WeakPolarHBondContact O-CB 3.05Å; A92-E96 PolarHBondContact O-N 2.76Å
93	F	98.3	Very high	97.6	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-54.8	-178.7	170.3	-101.3	0	0	0	112.5	V13 C16 L20 L70 P71 P82 P90 A91 K95 E96 V97 Y117	V13-F93 HydrophobicContact CG1-CD2 3.87Å; V13-F93 HydrophobicContact CG1-CE2 3.95Å; C16-F93 VanDerWaalsContact SG-CE2 3.51Å; L20-F93 HydrophobicContact CD1-CE2 3.84Å; L20-F93 HydrophobicContact CD1-CZ 3.65Å; L70-F93 HydrophobicContact CD2-CE1 4.38Å; P71-F93 HydrophobicContact CG-CE2 4.03Å; P71-F93 HydrophobicContact CG-CZ 3.86Å; P82-F93 HydrophobicContact CG-CB 4.4Å; P82-F93 HydrophobicContact CG-CD2 4.06Å; P82-F93 HydrophobicContact CG-CG 4.17Å; P90-F93 VanDerWaalsContact O-CB 3.3Å; P90-F93 WeakPolarHBondContact O-CB 3.4Å; P90-F93 PolarHBondContact O-N 2.93Å; A91-F93 PolarHBondContact O-N 3.17Å; F93-K95 VanDerWaalsContact C-N 3.33Å; F93-E96 PolarHBondContact O-N 3.09Å; F93-V97 HydrophobicContact CE2-CG2 4.49Å; F93-V97 HydrophobicContact CZ-CG2 4.35Å; F93-V97 WeakPolarHBondContact O-CG2 3.47Å; F93-V97 PolarHBondContact O-N 3.01Å; F93-V97 VanDerWaalsContact O-N 3.16Å; F93-Y117 AromaticContact CD1-CD1 3.36Å; F93-Y117 HydrophobicContact CD1-CD1 3.36Å; F93-Y117 AromaticContact CD1-CE1 3.99Å; F93-Y117 HydrophobicContact CD1-CE1 3.99Å; F93-Y117 HydrophobicContact CD1-CG 4.23Å; F93-Y117 AromaticContact CE1-CD1 3.46Å; F93-Y117 HydrophobicContact CE1-CD1 3.46Å; F93-Y117 VanDerWaalsContact CE1-CD1 3.46Å; F93-Y117 AromaticContact CE1-CE1 3.84Å; F93-Y117 HydrophobicContact CE1-CE1 3.84Å; F93-Y117 HydrophobicContact CE1-CG 4.16Å; F93-Y117 HydrophobicContact CG-CD1 4.21Å; F93-Y117 HydrophobicContact CZ-CD1 4.38Å; F93-Y117 HydrophobicContact CZ-CE1 4.34Å
94	L	98.4	Very high	97.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-27	179.1	-71.9	-175.4	0	0	0	112.4	L37 L39 C98 Y117 F121	L37-L94 HydrophobicContact CD2-CD2 4.29Å; L39-L94 HydrophobicContact CD1-CD1 3.9Å; L39-L94 HydrophobicContact CD1-CD2 4.41Å; L39-L94 HydrophobicContact CD2-CD2 4.14Å; L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 2.8Å; L94-C98 PolarHBondContact O-SG 3.3Å; L94-Y117 WeakPolarHBondContact CD1-O 3.31Å; L94-F121 HydrophobicContact CB-CB 3.93Å; L94-F121 HydrophobicContact CB-CD1 3.92Å; L94-F121 HydrophobicContact CB-CD2 3.89Å; L94-F121 HydrophobicContact CB-CE1 4.41Å; L94-F121 HydrophobicContact CB-CE2 4.43Å; L94-F121 HydrophobicContact CB-CG 3.65Å; L94-F121 HydrophobicContact CD1-CB 3.96Å; L94-F121 HydrophobicContact CD1-CD1 4.07Å; L94-F121 HydrophobicContact CD1-CG 4.2Å; L94-F121 HydrophobicContact CG-CB 4.46Å
95	K	98	Very high	97.6	Very high	62 Å²	62	44.8 Å²	44.8	27%	0.27	26%	0.264	S	S	.	.	H	α-helix	trans	-57.8	-51.6	170.4	174	-179.8	179	-66.4	0	110.4	A92 F93 V97 C98 E99 F121 L128	A92-K95 WeakPolarHBondContact O-CB 3.26Å; A92-K95 PolarHBondContact O-N 2.89Å; F93-K95 VanDerWaalsContact C-N 3.33Å; K95-V97 PolarHBondContact O-N 3.35Å; K95-C98 PolarHBondContact O-N 3.31Å; K95-E99 VanDerWaalsContact CE-OE1 3.23Å; K95-E99 WeakPolarHBondContact CE-OE1 3.38Å; K95-E99 IonicContact NZ-OE1 3.92Å; K95-E99 PolarHBondContact NZ-OE1 2.85Å; K95-E99 IonicContact NZ-OE2 2.84Å; K95-E99 PolarHBondContact NZ-OE2 3.06Å; K95-E99 WeakPolarHBondContact O-CG 3.42Å; K95-E99 PolarHBondContact O-N 2.81Å; K95-F121 HydrophobicContact CB-CD2 4.29Å; K95-F121 HydrophobicContact CB-CE2 3.98Å; K95-L128 HydrophobicContact CB-CD1 4.43Å; K95-L128 HydrophobicContact CD-CD1 4.29Å; K95-L128 HydrophobicContact CG-CD1 3.8Å
96	E	97.6	Very high	97.7	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.154	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-46.9	179.8	-174.5	179.9	-178.8	0	0	111.6	V13 E14 A92 F93 C98 E99 Q100	V13-E96 WeakPolarHBondContact CA-OE1 3.44Å; V13-E96 HydrophobicContact CG1-CB 4.49Å; V13-E96 HydrophobicContact CG1-CG 4.25Å; V13-E96 WeakPolarHBondContact CG1-OE2 3.37Å; E14-E96 WeakPolarHBondContact CB-OE1 3.17Å; E14-E96 WeakPolarHBondContact CG-OE1 3.35Å; E14-E96 PolarHBondContact N-OE1 3.03Å; A92-E96 WeakPolarHBondContact O-CB 3.05Å; A92-E96 PolarHBondContact O-N 2.76Å; F93-E96 PolarHBondContact O-N 3.09Å; E96-C98 VanDerWaalsContact C-N 3.32Å; E96-C98 PolarHBondContact O-N 2.8Å; E96-E99 PolarHBondContact O-N 3.03Å; E96-Q100 HydrophobicContact CG-CG 4.31Å; E96-Q100 WeakPolarHBondContact O-CB 3.1Å; E96-Q100 VanDerWaalsContact O-CG 3.3Å; E96-Q100 WeakPolarHBondContact O-CG 3.41Å; E96-Q100 PolarHBondContact O-N 3.11Å
97	V	98.4	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.4	-47.3	175.1	170.8	0	0	0	0	111.4	V13 L20 L68 F93 K95 L101	V13-V97 HydrophobicContact CG2-CG2 3.65Å; L20-V97 HydrophobicContact CD1-CG2 4.15Å; L68-V97 HydrophobicContact CD1-CG1 4.39Å; L68-V97 HydrophobicContact CD2-CG1 4.08Å; L68-V97 HydrophobicContact CD2-CG2 4.36Å; F93-V97 HydrophobicContact CE2-CG2 4.49Å; F93-V97 HydrophobicContact CZ-CG2 4.35Å; F93-V97 WeakPolarHBondContact O-CG2 3.47Å; F93-V97 PolarHBondContact O-N 3.01Å; F93-V97 VanDerWaalsContact O-N 3.16Å; K95-V97 PolarHBondContact O-N 3.35Å; V97-L101 HydrophobicContact CG1-CD1 3.92Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 2.79Å; V97-L101 VanDerWaalsContact O-N 3.15Å
98	C	98.3	Very high	97.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-35.1	-177.7	-65.7	0	0	0	0	112.6	L94 K95 E96 S102 L103	L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 2.8Å; L94-C98 PolarHBondContact O-SG 3.3Å; K95-C98 PolarHBondContact O-N 3.31Å; E96-C98 VanDerWaalsContact C-N 3.32Å; E96-C98 PolarHBondContact O-N 2.8Å; C98-S102 PolarHBondContact O-N 2.94Å; C98-S102 VanDerWaalsContact O-N 3.11Å; C98-L103 HydrophobicContact CB-CB 4.39Å; C98-L103 PolarHBondContact O-N 3.02Å
99	E	97.1	Very high	97.9	Very high	95 Å²	95	32 Å²	32	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-69.6	-48.7	176.5	-74.5	175.3	155.5	0	0	111.6	K95 E96 L101 S102	K95-E99 VanDerWaalsContact CE-OE1 3.23Å; K95-E99 WeakPolarHBondContact CE-OE1 3.38Å; K95-E99 IonicContact NZ-OE1 3.92Å; K95-E99 PolarHBondContact NZ-OE1 2.85Å; K95-E99 IonicContact NZ-OE2 2.84Å; K95-E99 PolarHBondContact NZ-OE2 3.06Å; K95-E99 WeakPolarHBondContact O-CG 3.42Å; K95-E99 PolarHBondContact O-N 2.81Å; E96-E99 PolarHBondContact O-N 3.03Å; E99-L101 PolarHBondContact O-N 3.1Å; E99-S102 PolarHBondContact O-N 2.85Å
100	Q	97.7	Very high	98	Very high	118 Å²	118	31.8 Å²	31.8	55%	0.551	19%	0.186	S	C	*	.	H	α-helix	trans	-61.7	-30.9	178.9	-70.1	-67.8	-15.1	0	0	112.7	V11 E96	V11-Q100 HydrophobicContact CG2-CB 3.46Å; V11-Q100 VanDerWaalsContact CG2-CB 3.46Å; V11-Q100 HydrophobicContact CG2-CG 4.25Å; E96-Q100 HydrophobicContact CG-CG 4.31Å; E96-Q100 WeakPolarHBondContact O-CB 3.1Å; E96-Q100 VanDerWaalsContact O-CG 3.3Å; E96-Q100 WeakPolarHBondContact O-CG 3.41Å; E96-Q100 PolarHBondContact O-N 3.11Å
101	L	97.9	Very high	98	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.3	178.1	-66.3	174.8	0	0	0	113.9	V11 Y22 R64 V66 V97 E99 L103	V11-L101 HydrophobicContact CB-CD1 4.43Å; V11-L101 HydrophobicContact CB-CD2 4Å; V11-L101 HydrophobicContact CB-CG 4.18Å; V11-L101 HydrophobicContact CG1-CD1 4.35Å; V11-L101 HydrophobicContact CG2-CD2 4.12Å; V11-L101 HydrophobicContact CG2-CG 3.96Å; Y22-L101 HydrophobicContact CD1-CD2 4.09Å; Y22-L101 HydrophobicContact CE1-CD2 3.54Å; R64-L101 PolarHBondContact NH1-O 3.42Å; R64-L101 PolarHBondContact NH2-O 3.48Å; R64-L101 VanDerWaalsContact NH2-O 3.1Å; V66-L101 HydrophobicContact CG1-CD1 4.07Å; V97-L101 HydrophobicContact CG1-CD1 3.92Å; V97-L101 WeakPolarHBondContact O-CB 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.42Å; V97-L101 PolarHBondContact O-N 2.79Å; V97-L101 VanDerWaalsContact O-N 3.15Å; E99-L101 PolarHBondContact O-N 3.1Å; L101-L103 HydrophobicContact CB-CD1 3.78Å; L101-L103 HydrophobicContact CB-CD2 4.35Å; L101-L103 HydrophobicContact CB-CG 3.67Å; L101-L103 HydrophobicContact CD1-CD1 4.01Å; L101-L103 PolarHBondContact O-N 2.59Å
102	S	97.4	Very high	98	Very high	94 Å²	94	29 Å²	29	66%	0.657	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	52.2	-176	-59.3	0	0	0	0	112.6	R64 C98 E99	R64-S102 PolarHBondContact NH1-O 3.1Å; C98-S102 PolarHBondContact O-N 2.94Å; C98-S102 VanDerWaalsContact O-N 3.11Å; E99-S102 PolarHBondContact O-N 2.85Å
103	L	98	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.			trans	-98.1	-13.4	-176.9	-61.8	176.1	0	0	0	113.8	S35 L37 V66 C98 L101 P105 V106	S35-L103 WeakPolarHBondContact CB-O 3.4Å; S35-L103 PolarHBondContact OG-O 3Å; L37-L103 HydrophobicContact CD1-CD1 4.33Å; V66-L103 HydrophobicContact CB-CD1 4.3Å; V66-L103 HydrophobicContact CG2-CD1 4.31Å; V66-L103 HydrophobicContact CG2-CD2 3.81Å; C98-L103 HydrophobicContact CB-CB 4.39Å; C98-L103 PolarHBondContact O-N 3.02Å; L101-L103 HydrophobicContact CB-CD1 3.78Å; L101-L103 HydrophobicContact CB-CD2 4.35Å; L101-L103 HydrophobicContact CB-CG 3.67Å; L101-L103 HydrophobicContact CD1-CD1 4.01Å; L101-L103 PolarHBondContact O-N 2.59Å; L103-P105 CarbonylContact O-C 3.53Å; L103-P105 VanDerWaalsContact O-C 3.25Å; L103-V106 HydrophobicContact CB-CB 4.18Å; L103-V106 HydrophobicContact CB-CG2 4.01Å; L103-V106 WeakPolarHBondContact O-CB 3.22Å
104	C	95.8	Very high	98.1	Very high	51 Å²	51	26.7 Å²	26.7	35%	0.345	15%	0.147	S	C	.	.			trans	-75.4	138.9	-171.1	-60.5	0	0	0	0	113.3	L128	C104-L128 HydrophobicContact CB-CD2 4.22Å
105	P	98	Very high	98.1	Very high	68 Å²	68	26.6 Å²	26.6	44%	0.442	15%	0.147	S	C	.	.	S	Bend	cis	-75.6	137.9	-7.7	32.1	-34.7	0	0	0	111.9	L103 L128 R130	L103-P105 CarbonylContact O-C 3.53Å; L103-P105 VanDerWaalsContact O-C 3.25Å; P105-L128 CarbonylContact C-O 3.25Å; P105-L128 VanDerWaalsContact CA-O 3.3Å; P105-L128 WeakPolarHBondContact CA-O 3.47Å; P105-R130 HydrophobicContact CB-CB 4.24Å
106	V	98.8	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	-168.8	68.3	0	0	0	0	112.7	L37 L103 V108 F121 L128 I129 R130	L37-V106 HydrophobicContact CB-CG2 3.69Å; L103-V106 HydrophobicContact CB-CB 4.18Å; L103-V106 HydrophobicContact CB-CG2 4.01Å; L103-V106 WeakPolarHBondContact O-CB 3.22Å; V106-V108 HydrophobicContact CG1-CG2 3.82Å; V106-F121 HydrophobicContact CG1-CE1 4.24Å; V106-F121 HydrophobicContact CG1-CZ 4.49Å; V106-L128 PolarHBondContact N-O 2.74Å; V106-I129 CarbonylContact O-C 3.6Å; V106-I129 WeakPolarHBondContact O-CA 3.44Å; V106-R130 PolarHBondContact O-N 2.67Å
107	V	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.7	163.3	-179.6	0	0	0	0	109	S35 V36 L37 R130 A131 V133 L208 L211	S35-V107 PolarHBondContact O-N 3.5Å; V36-V107 CarbonylContact C-O 3.54Å; V36-V107 WeakPolarHBondContact CA-O 3.27Å; V36-V107 HydrophobicContact CG1-CB 4.37Å; V36-V107 HydrophobicContact CG2-CB 4.19Å; L37-V107 PolarHBondContact N-O 3.16Å; V107-R130 HydrophobicContact CG2-CB 4.12Å; V107-R130 HydrophobicContact CG2-CG 4.46Å; V107-A131 WeakPolarHBondContact CA-O 3.41Å; V107-A131 HydrophobicContact CG1-CB 4.12Å; V107-A131 HydrophobicContact CG2-CB 4.1Å; V107-V133 HydrophobicContact CG1-CG2 4.2Å; V107-L208 HydrophobicContact CB-CD2 4.37Å; V107-L208 HydrophobicContact CG1-CD2 3.95Å; V107-L208 HydrophobicContact CG2-CD2 3.98Å; V107-L211 HydrophobicContact CG2-CD1 3.95Å
108	V	98.9	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	-178.4	-177.4	0	0	0	0	110.5	L39 V106 F121 I129 A131 Y132 V133	L39-V108 HydrophobicContact CD1-CG1 4.14Å; V106-V108 HydrophobicContact CG1-CG2 3.82Å; V108-F121 HydrophobicContact CG2-CD1 4.21Å; V108-F121 HydrophobicContact CG2-CE1 3.89Å; V108-I129 HydrophobicContact CG2-CG2 4.47Å; V108-A131 PolarHBondContact N-O 2.99Å; V108-Y132 HydrophobicContact CB-CD2 4.11Å; V108-Y132 HydrophobicContact CG1-CD2 4.37Å; V108-Y132 HydrophobicContact CG1-CE2 4.32Å; V108-Y132 WeakPolarHBondContact O-CD2 3.42Å; V108-V133 PolarHBondContact O-N 3.22Å
109	I	98.9	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119	171.7	-54	-175.3	0	0	0	108.5	V36 L37 L38 L39 W49 V133 W200 L204	V36-I109 HydrophobicContact CG1-CD1 3.78Å; V36-I109 HydrophobicContact CG1-CG1 3.97Å; L37-I109 PolarHBondContact O-N 2.86Å; L38-I109 HydrophobicContact CD2-CD1 4.06Å; L38-I109 HydrophobicContact CG-CB 4.43Å; L38-I109 HydrophobicContact CG-CD1 4.08Å; L39-I109 PolarHBondContact N-O 2.93Å; W49-I109 HydrophobicContact CH2-CG2 4.21Å; W49-I109 HydrophobicContact CZ2-CG2 4.26Å; I109-V133 WeakPolarHBondContact CA-O 3.44Å; I109-V133 HydrophobicContact CG1-CB 4.13Å; I109-V133 HydrophobicContact CG1-CG2 4.39Å; I109-W200 HydrophobicContact CD1-CH2 4.49Å; I109-W200 HydrophobicContact CD1-CZ2 4.4Å; I109-W200 HydrophobicContact CG2-CH2 3.78Å; I109-W200 HydrophobicContact CG2-CZ2 4.18Å; I109-L204 HydrophobicContact CD1-CD1 3.71Å; I109-L204 HydrophobicContact CD1-CD2 3.78Å; I109-L204 HydrophobicContact CD1-CG 4.41Å; I109-L204 HydrophobicContact CG1-CD1 4.47Å
110	S	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	91	-168.3	-174.5	0	0	0	0	112.9	S114 G115 S118 V133 P134 V135	S110-S114 VanDerWaalsContact C-OG 3.25Å; S110-S114 WeakPolarHBondContact CA-OG 3.28Å; S110-S114 VanDerWaalsContact OG-C 3.24Å; S110-S114 PolarHBondContact OG-O 2.86Å; S110-S114 PolarHBondContact OG-OG 2.72Å; S110-G115 PolarHBondContact OG-N 3.26Å; S110-S118 VanDerWaalsContact CB-OG 3.26Å; S110-S118 WeakPolarHBondContact CB-OG 3.3Å; S110-S118 VanDerWaalsContact OG-CB 3.29Å; S110-S118 WeakPolarHBondContact OG-CB 3.37Å; S110-S118 PolarHBondContact OG-OG 2.94Å; S110-V133 PolarHBondContact N-O 3.15Å; S110-P134 WeakPolarHBondContact O-CA 3.29Å; S110-V135 PolarHBondContact O-N 3.25Å
111	P	98.6	Very high	98.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.7	173.3	34.1	-36.6	0	0	0	113.4	L39 W49 L113 S114 V135 Y193	L39-P111 WeakPolarHBondContact O-CD 3.46Å; W49-P111 HydrophobicContact CZ2-CG 4Å; P111-L113 PolarHBondContact O-N 2.88Å; P111-S114 VanDerWaalsContact CD-OG 3.3Å; P111-S114 WeakPolarHBondContact CD-OG 3.49Å; P111-S114 PolarHBondContact O-N 2.84Å; P111-S114 VanDerWaalsContact O-N 3.16Å; P111-S114 PolarHBondContact O-OG 3.29Å; P111-V135 CarbonylContact C-O 3.2Å; P111-V135 WeakPolarHBondContact CA-O 3.49Å; P111-V135 HydrophobicContact CB-CB 3.96Å; P111-V135 HydrophobicContact CB-CG2 4.48Å; P111-Y193 HydrophobicContact CB-CE1 3.62Å; P111-Y193 HydrophobicContact CG-CE1 4.3Å
112	S	97.9	Very high	98.5	Very high	16 Å²	16	12 Å²	12	11%	0.112	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	52.3	-121.3	162.6	-171.2	0	0	0	0	113.6	S114 G115 V135 A136 P137 I138 H190	S112-S114 PolarHBondContact O-N 3.19Å; S112-G115 PolarHBondContact O-N 2.87Å; S112-V135 PolarHBondContact N-O 2.91Å; S112-A136 WeakPolarHBondContact CA-O 3.42Å; S112-P137 VanDerWaalsContact O-CA 3.31Å; S112-P137 WeakPolarHBondContact O-CA 3.19Å; S112-I138 PolarHBondContact O-N 3.26Å; S112-H190 WeakPolarHBondContact CB-NE2 3.3Å; S112-H190 PolarHBondContact OG-NE2 3.45Å
113	L	98.5	Very high	98.5	Very high	9 Å²	9	8.6 Å²	8.6	5%	0.047	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-40.9	-43.8	178.3	179	71.5	0	0	0	113	I42 L70 L73 V85 P111 G115 M116 I138	I42-L113 HydrophobicContact CB-CB 4.18Å; I42-L113 HydrophobicContact CB-CD2 3.8Å; I42-L113 HydrophobicContact CB-CG 4.38Å; I42-L113 HydrophobicContact CG1-CD2 4.06Å; L70-L113 HydrophobicContact CD1-CD2 4.38Å; L73-L113 HydrophobicContact CD1-CD2 3.49Å; L73-L113 VanDerWaalsContact CD1-CD2 3.49Å; V85-L113 HydrophobicContact CG1-CD1 3.86Å; V85-L113 HydrophobicContact CG2-CD1 4.34Å; P111-L113 PolarHBondContact O-N 2.88Å; L113-G115 PolarHBondContact O-N 2.91Å; L113-M116 HydrophobicContact CD1-SD 3.73Å; L113-M116 HydrophobicContact CG-SD 4.28Å; L113-M116 VanDerWaalsContact O-CG 3.29Å; L113-M116 WeakPolarHBondContact O-CG 3.34Å; L113-M116 PolarHBondContact O-N 2.8Å; L113-M116 VanDerWaalsContact O-N 3.12Å; L113-I138 HydrophobicContact CD1-CD1 3.95Å; L113-I138 WeakPolarHBondContact O-CG1 3.3Å
114	S	98.8	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-62.6	-13.3	-173.5	59.6	0	0	0	0	114.7	H40 S110 P111 S112 M116 Y117 S118	H40-S114 WeakPolarHBondContact O-CB 3.18Å; S110-S114 VanDerWaalsContact C-OG 3.25Å; S110-S114 WeakPolarHBondContact CA-OG 3.28Å; S110-S114 VanDerWaalsContact OG-C 3.24Å; S110-S114 PolarHBondContact OG-O 2.86Å; S110-S114 PolarHBondContact OG-OG 2.72Å; P111-S114 VanDerWaalsContact CD-OG 3.3Å; P111-S114 WeakPolarHBondContact CD-OG 3.49Å; P111-S114 PolarHBondContact O-N 2.84Å; P111-S114 VanDerWaalsContact O-N 3.16Å; P111-S114 PolarHBondContact O-OG 3.29Å; S112-S114 PolarHBondContact O-N 3.19Å; S114-M116 PolarHBondContact O-N 2.83Å; S114-Y117 PolarHBondContact O-N 2.99Å; S114-S118 PolarHBondContact O-N 3.29Å; S114-S118 PolarHBondContact O-OG 2.81Å
115	G	98.8	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-51	-37.4	168.9	0	0	0	0	0	114.2	S110 S112 L113 Y117 S118 L119	S110-G115 PolarHBondContact OG-N 3.26Å; S112-G115 PolarHBondContact O-N 2.87Å; L113-G115 PolarHBondContact O-N 2.91Å; G115-Y117 PolarHBondContact O-N 3.26Å; G115-S118 PolarHBondContact O-N 2.89Å; G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 VanDerWaalsContact O-CG 3.3Å; G115-L119 WeakPolarHBondContact O-CG 3.3Å; G115-L119 PolarHBondContact O-N 2.99Å
116	M	98.7	Very high	98.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-23	178.5	75	-172.9	-73.1	0	0	113.2	A83 S84 E87 A89 L113 S114 P120 I138	A83-M116 HydrophobicContact CB-CE 4.28Å; S84-M116 WeakPolarHBondContact O-CE 3.36Å; E87-M116 WeakPolarHBondContact O-CE 3.28Å; A89-M116 PolarHBondContact N-O 3.08Å; L113-M116 HydrophobicContact CD1-SD 3.73Å; L113-M116 HydrophobicContact CG-SD 4.28Å; L113-M116 VanDerWaalsContact O-CG 3.29Å; L113-M116 WeakPolarHBondContact O-CG 3.34Å; L113-M116 PolarHBondContact O-N 2.8Å; L113-M116 VanDerWaalsContact O-N 3.12Å; S114-M116 PolarHBondContact O-N 2.83Å; M116-P120 WeakPolarHBondContact O-CD 3.21Å; M116-I138 HydrophobicContact CB-CD1 4.29Å; M116-I138 HydrophobicContact CB-CG1 4.47Å
117	Y	98.8	Very high	98.6	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.039	10%	0.101	C	C	.	.	H	α-helix	trans	-97.7	-42.7	177.4	-60.2	-84.6	0	0	0	111.7	L70 P82 A89 F93 L94 S114 G115	L70-Y117 HydrophobicContact CD1-CD2 4.16Å; L70-Y117 HydrophobicContact CD1-CE2 4.07Å; L70-Y117 HydrophobicContact CD2-CD2 3.92Å; L70-Y117 HydrophobicContact CD2-CE2 4.03Å; L70-Y117 HydrophobicContact CD2-CG 4.28Å; P82-Y117 HydrophobicContact CG-CE1 3.85Å; A89-Y117 HydrophobicContact CB-CD1 3.49Å; A89-Y117 VanDerWaalsContact CB-CD1 3.49Å; A89-Y117 HydrophobicContact CB-CE1 3.8Å; A89-Y117 HydrophobicContact CB-CG 4.26Å; F93-Y117 AromaticContact CD1-CD1 3.36Å; F93-Y117 HydrophobicContact CD1-CD1 3.36Å; F93-Y117 AromaticContact CD1-CE1 3.99Å; F93-Y117 HydrophobicContact CD1-CE1 3.99Å; F93-Y117 HydrophobicContact CD1-CG 4.23Å; F93-Y117 AromaticContact CE1-CD1 3.46Å; F93-Y117 HydrophobicContact CE1-CD1 3.46Å; F93-Y117 VanDerWaalsContact CE1-CD1 3.46Å; F93-Y117 AromaticContact CE1-CE1 3.84Å; F93-Y117 HydrophobicContact CE1-CE1 3.84Å; F93-Y117 HydrophobicContact CE1-CG 4.16Å; F93-Y117 HydrophobicContact CG-CD1 4.21Å; F93-Y117 HydrophobicContact CZ-CD1 4.38Å; F93-Y117 HydrophobicContact CZ-CE1 4.34Å; L94-Y117 WeakPolarHBondContact CD1-O 3.31Å; S114-Y117 PolarHBondContact O-N 2.99Å; G115-Y117 PolarHBondContact O-N 3.26Å
118	S	98.9	Very high	98.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-77.8	-31.3	-172.2	66.5	0	0	0	0	114.1	S110 S114 G115 F121 L122 Y132	S110-S118 VanDerWaalsContact CB-OG 3.26Å; S110-S118 WeakPolarHBondContact CB-OG 3.3Å; S110-S118 VanDerWaalsContact OG-CB 3.29Å; S110-S118 WeakPolarHBondContact OG-CB 3.37Å; S110-S118 PolarHBondContact OG-OG 2.94Å; S114-S118 PolarHBondContact O-N 3.29Å; S114-S118 PolarHBondContact O-OG 2.81Å; G115-S118 PolarHBondContact O-N 2.89Å; S118-F121 PolarHBondContact O-N 2.79Å; S118-L122 VanDerWaalsContact O-CB 3.29Å; S118-L122 WeakPolarHBondContact O-CB 3.49Å; S118-L122 PolarHBondContact O-N 2.91Å; S118-Y132 PolarHBondContact OG-OH 3.36Å
119	L	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.2	-46.7	-178.7	-67.8	169.2	0	0	0	112.6	G115 F121 L122 L123 Y132 I138 C139 T140 F143 Y148 L174	G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 VanDerWaalsContact O-CG 3.3Å; G115-L119 WeakPolarHBondContact O-CG 3.3Å; G115-L119 PolarHBondContact O-N 2.99Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.78Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 2.72Å; L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 2.92Å; L119-Y132 HydrophobicContact CD2-CE1 4.32Å; L119-I138 WeakPolarHBondContact CD1-O 3.42Å; L119-C139 HydrophobicContact CD1-CB 4.37Å; L119-T140 HydrophobicContact CD1-CG2 3.88Å; L119-F143 HydrophobicContact CB-CD2 4.07Å; L119-F143 HydrophobicContact CB-CE2 3.41Å; L119-F143 VanDerWaalsContact CB-CE2 3.41Å; L119-F143 HydrophobicContact CB-CZ 3.91Å; L119-F143 HydrophobicContact CD1-CD2 4.13Å; L119-F143 HydrophobicContact CD1-CE2 3.85Å; L119-F143 HydrophobicContact CG-CE2 4.26Å; L119-Y148 HydrophobicContact CD2-CE1 4.1Å; L119-L174 HydrophobicContact CD2-CD2 4.11Å
120	P	98.7	Very high	98.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-46.4	170.2	-26.8	35.3	0	0	0	112.5	P88 A89 A91 M116 L122 L123 E124 F143	P88-P120 HydrophobicContact CB-CG 3.78Å; A89-P120 WeakPolarHBondContact O-CB 3.37Å; A89-P120 VanDerWaalsContact O-CG 3.22Å; A89-P120 WeakPolarHBondContact O-CG 3.42Å; A91-P120 HydrophobicContact CB-CB 3.77Å; A91-P120 WeakPolarHBondContact CB-O 3.32Å; M116-P120 WeakPolarHBondContact O-CD 3.21Å; P120-L122 VanDerWaalsContact C-N 3.34Å; P120-L122 PolarHBondContact O-N 2.9Å; P120-L123 PolarHBondContact O-N 2.85Å; P120-E124 WeakPolarHBondContact O-CB 3.48Å; P120-E124 PolarHBondContact O-N 2.88Å; P120-F143 HydrophobicContact CG-CZ 3.95Å
121	F	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177.8	-178.6	-122.5	0	0	0	112.2	L94 K95 V106 V108 S118 L119 L123 H125 L128 I129	L94-F121 HydrophobicContact CB-CB 3.93Å; L94-F121 HydrophobicContact CB-CD1 3.92Å; L94-F121 HydrophobicContact CB-CD2 3.89Å; L94-F121 HydrophobicContact CB-CE1 4.41Å; L94-F121 HydrophobicContact CB-CE2 4.43Å; L94-F121 HydrophobicContact CB-CG 3.65Å; L94-F121 HydrophobicContact CD1-CB 3.96Å; L94-F121 HydrophobicContact CD1-CD1 4.07Å; L94-F121 HydrophobicContact CD1-CG 4.2Å; L94-F121 HydrophobicContact CG-CB 4.46Å; K95-F121 HydrophobicContact CB-CD2 4.29Å; K95-F121 HydrophobicContact CB-CE2 3.98Å; V106-F121 HydrophobicContact CG1-CE1 4.24Å; V106-F121 HydrophobicContact CG1-CZ 4.49Å; V108-F121 HydrophobicContact CG2-CD1 4.21Å; V108-F121 HydrophobicContact CG2-CE1 3.89Å; S118-F121 PolarHBondContact O-N 2.79Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.78Å; F121-L123 VanDerWaalsContact C-N 3.34Å; F121-L123 PolarHBondContact O-N 3.11Å; F121-H125 HydrophobicContact CD2-CB 3.73Å; F121-H125 AromaticContact CD2-CD2 3.8Å; F121-H125 HydrophobicContact CE2-CB 3.67Å; F121-H125 WeakPolarHBondContact O-CA 3.39Å; F121-H125 WeakPolarHBondContact O-CB 3.45Å; F121-H125 PolarHBondContact O-N 3.46Å; F121-L128 HydrophobicContact CE2-CB 4.37Å; F121-L128 HydrophobicContact CE2-CD1 4.23Å; F121-L128 HydrophobicContact CZ-CB 4.05Å; F121-I129 HydrophobicContact CD1-CD1 3.54Å; F121-I129 HydrophobicContact CD1-CG1 3.95Å; F121-I129 HydrophobicContact CE1-CD1 3.58Å; F121-I129 HydrophobicContact CE1-CG1 3.41Å; F121-I129 VanDerWaalsContact CE1-CG1 3.41Å; F121-I129 HydrophobicContact CG-CD1 4.17Å; F121-I129 HydrophobicContact CZ-CD1 4.19Å; F121-I129 HydrophobicContact CZ-CG1 3.82Å
122	L	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-44.3	175.8	-179.3	67.3	0	0	0	112.3	S118 L119 P120 Q126 I129 Y132 V151 V153 L177	S118-L122 VanDerWaalsContact O-CB 3.29Å; S118-L122 WeakPolarHBondContact O-CB 3.49Å; S118-L122 PolarHBondContact O-N 2.91Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 2.72Å; P120-L122 VanDerWaalsContact C-N 3.34Å; P120-L122 PolarHBondContact O-N 2.9Å; L122-Q126 WeakPolarHBondContact O-CG 3.38Å; L122-I129 VanDerWaalsContact CA-CD1 3.47Å; L122-I129 HydrophobicContact CB-CD1 4.29Å; L122-I129 HydrophobicContact CD1-CD1 4.02Å; L122-Y132 HydrophobicContact CD1-CD1 4.4Å; L122-Y132 HydrophobicContact CD1-CG 4.2Å; L122-Y132 HydrophobicContact CD2-CD1 3.51Å; L122-Y132 HydrophobicContact CD2-CE1 3.71Å; L122-Y132 HydrophobicContact CD2-CG 4.11Å; L122-V151 HydrophobicContact CD1-CG1 3.93Å; L122-V151 HydrophobicContact CD2-CG1 4.36Å; L122-V151 HydrophobicContact CG-CG1 4.1Å; L122-V151 HydrophobicContact CG-CG2 4.36Å; L122-V153 HydrophobicContact CD1-CB 3.92Å; L122-V153 HydrophobicContact CD1-CG1 4.06Å; L122-V153 HydrophobicContact CD1-CG2 3.97Å; L122-L177 HydrophobicContact CD2-CD2 4.39Å
123	L	98.4	Very high	98.6	Very high	22 Å²	22	24.5 Å²	24.5	12%	0.115	12%	0.123	C	C	.	.	H	α-helix	trans	-77.6	-36.9	-172.9	-69.8	168.5	0	0	0	112.4	L119 P120 F121 F143 Q147 V151	L119-L123 WeakPolarHBondContact O-CG 3.29Å; L119-L123 PolarHBondContact O-N 2.92Å; P120-L123 PolarHBondContact O-N 2.85Å; F121-L123 VanDerWaalsContact C-N 3.34Å; F121-L123 PolarHBondContact O-N 3.11Å; L123-F143 HydrophobicContact CD1-CB 3.95Å; L123-F143 HydrophobicContact CD1-CD1 3.05Å; L123-F143 HydrophobicContact CD1-CD2 4.13Å; L123-F143 HydrophobicContact CD1-CE1 3.43Å; L123-F143 VanDerWaalsContact CD1-CE1 3.43Å; L123-F143 HydrophobicContact CD1-CE2 4.45Å; L123-F143 HydrophobicContact CD1-CG 3.43Å; L123-F143 VanDerWaalsContact CD1-CG 3.43Å; L123-F143 HydrophobicContact CD1-CZ 4.12Å; L123-Q147 HydrophobicContact CD2-CB 4.02Å; L123-Q147 WeakPolarHBondContact CD2-O 3.29Å; L123-V151 HydrophobicContact CD2-CG2 3.57Å
124	E	98.4	Very high	98.6	Very high	129 Å²	129	24.1 Å²	24.1	60%	0.603	12%	0.121	S	C	*	.	H	α-helix	trans	-98.5	-21.4	-172.6	-63.2	179.1	-133.4	0	0	113.7	A91 P120	A91-E124 HydrophobicContact CB-CB 3.8Å; A91-E124 VanDerWaalsContact CB-CD 3.46Å; A91-E124 HydrophobicContact CB-CG 4.08Å; P120-E124 WeakPolarHBondContact O-CB 3.48Å; P120-E124 PolarHBondContact O-N 2.88Å
125	H	98.3	Very high	98.6	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.19	12%	0.121	C	C	.	.			trans	-129.3	35.6	-172.5	-60.9	-51.2	0	0	0	114	F121 P127 L128	F121-H125 HydrophobicContact CD2-CB 3.73Å; F121-H125 AromaticContact CD2-CD2 3.8Å; F121-H125 HydrophobicContact CE2-CB 3.67Å; F121-H125 WeakPolarHBondContact O-CA 3.39Å; F121-H125 WeakPolarHBondContact O-CB 3.45Å; F121-H125 PolarHBondContact O-N 3.46Å; H125-P127 VanDerWaalsContact C-N 3.31Å; H125-P127 VanDerWaalsContact O-N 3.1Å; H125-L128 HydrophobicContact CB-CD1 4.22Å; H125-L128 WeakPolarHBondContact O-CB 3.43Å; H125-L128 PolarHBondContact O-N 3.16Å
126	Q	97.8	Very high	98.6	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.21	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-44.4	-42	178.8	-64.1	-179.5	51.8	0	0	115.4	L122 L128 I129 K152 V153	L122-Q126 WeakPolarHBondContact O-CG 3.38Å; Q126-L128 PolarHBondContact O-N 2.81Å; Q126-L128 VanDerWaalsContact O-N 3.1Å; Q126-I129 PolarHBondContact O-N 3.25Å; Q126-K152 VanDerWaalsContact OE1-N 3.07Å; Q126-V153 HydrophobicContact CB-CG2 4.05Å; Q126-V153 HydrophobicContact CG-CG2 4.17Å
127	P	98.3	Very high	98.6	Very high	118 Å²	118	24.2 Å²	24.2	77%	0.766	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-62.5	-18.6	-179.6	-24.2	36	0	0	0	114.9	H125	H125-P127 VanDerWaalsContact C-N 3.31Å; H125-P127 VanDerWaalsContact O-N 3.1Å
128	L	98.6	Very high	98.6	Very high	39 Å²	39	25.2 Å²	25.2	20%	0.204	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-88.2	-6.3	177.8	-56.5	-176.2	0	0	0	112.6	K95 C104 P105 V106 F121 H125 Q126	K95-L128 HydrophobicContact CB-CD1 4.43Å; K95-L128 HydrophobicContact CD-CD1 4.29Å; K95-L128 HydrophobicContact CG-CD1 3.8Å; C104-L128 HydrophobicContact CB-CD2 4.22Å; P105-L128 CarbonylContact C-O 3.25Å; P105-L128 VanDerWaalsContact CA-O 3.3Å; P105-L128 WeakPolarHBondContact CA-O 3.47Å; V106-L128 PolarHBondContact N-O 2.74Å; F121-L128 HydrophobicContact CE2-CB 4.37Å; F121-L128 HydrophobicContact CE2-CD1 4.23Å; F121-L128 HydrophobicContact CZ-CB 4.05Å; H125-L128 HydrophobicContact CB-CD1 4.22Å; H125-L128 WeakPolarHBondContact O-CB 3.43Å; H125-L128 PolarHBondContact O-N 3.16Å; Q126-L128 PolarHBondContact O-N 2.81Å; Q126-L128 VanDerWaalsContact O-N 3.1Å
129	I	98.8	Very high	98.6	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117	-171.7	-56.5	170	0	0	0	109.4	V106 V108 F121 L122 Q126 A131 V153	V106-I129 CarbonylContact O-C 3.6Å; V106-I129 WeakPolarHBondContact O-CA 3.44Å; V108-I129 HydrophobicContact CG2-CG2 4.47Å; F121-I129 HydrophobicContact CD1-CD1 3.54Å; F121-I129 HydrophobicContact CD1-CG1 3.95Å; F121-I129 HydrophobicContact CE1-CD1 3.58Å; F121-I129 HydrophobicContact CE1-CG1 3.41Å; F121-I129 VanDerWaalsContact CE1-CG1 3.41Å; F121-I129 HydrophobicContact CG-CD1 4.17Å; F121-I129 HydrophobicContact CZ-CD1 4.19Å; F121-I129 HydrophobicContact CZ-CG1 3.82Å; L122-I129 VanDerWaalsContact CA-CD1 3.47Å; L122-I129 HydrophobicContact CB-CD1 4.29Å; L122-I129 HydrophobicContact CD1-CD1 4.02Å; Q126-I129 PolarHBondContact O-N 3.25Å; I129-A131 VanDerWaalsContact CG2-O 3.3Å; I129-A131 WeakPolarHBondContact CG2-O 3.46Å; I129-V153 HydrophobicContact CB-CG1 4.3Å; I129-V153 HydrophobicContact CB-CG2 4.23Å; I129-V153 HydrophobicContact CG2-CG1 3.6Å; I129-V153 HydrophobicContact CG2-CG2 4.39Å
130	R	98.6	Very high	98.5	Very high	86 Å²	86	25.4 Å²	25.4	33%	0.325	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-42.7	174.6	-172.1	172.2	-171.3	135.7	1.3	111.7	P105 V106 V107 L211	P105-R130 HydrophobicContact CB-CB 4.24Å; V106-R130 PolarHBondContact O-N 2.67Å; V107-R130 HydrophobicContact CG2-CB 4.12Å; V107-R130 HydrophobicContact CG2-CG 4.46Å; R130-L211 PolarHBondContact NH2-O 2.85Å
131	A	98.8	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.5	177.2	0	0	0	0	0	111.6	V107 V108 I129 P154 F207 L211	V107-A131 WeakPolarHBondContact CA-O 3.41Å; V107-A131 HydrophobicContact CG1-CB 4.12Å; V107-A131 HydrophobicContact CG2-CB 4.1Å; V108-A131 PolarHBondContact N-O 2.99Å; I129-A131 VanDerWaalsContact CG2-O 3.3Å; I129-A131 WeakPolarHBondContact CG2-O 3.46Å; A131-P154 CarbonylContact C-O 3.53Å; A131-P154 VanDerWaalsContact CA-O 3.27Å; A131-P154 WeakPolarHBondContact CA-O 3.44Å; A131-P154 HydrophobicContact CB-CB 4.46Å; A131-P154 WeakPolarHBondContact CB-O 3.44Å; A131-F207 HydrophobicContact CB-CE1 3.76Å; A131-F207 HydrophobicContact CB-CZ 3.87Å; A131-L211 HydrophobicContact CB-CD1 3.44Å; A131-L211 VanDerWaalsContact CB-CD1 3.44Å; A131-L211 HydrophobicContact CB-CD2 3.84Å; A131-L211 HydrophobicContact CB-CG 4.3Å
132	Y	98.9	Very high	98.5	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.6	-179.6	-173.9	-130.2	0	0	0	111.6	V108 S118 L119 L122 P134 P154 T155 L156	V108-Y132 HydrophobicContact CB-CD2 4.11Å; V108-Y132 HydrophobicContact CG1-CD2 4.37Å; V108-Y132 HydrophobicContact CG1-CE2 4.32Å; V108-Y132 WeakPolarHBondContact O-CD2 3.42Å; S118-Y132 PolarHBondContact OG-OH 3.36Å; L119-Y132 HydrophobicContact CD2-CE1 4.32Å; L122-Y132 HydrophobicContact CD1-CD1 4.4Å; L122-Y132 HydrophobicContact CD1-CG 4.2Å; L122-Y132 HydrophobicContact CD2-CD1 3.51Å; L122-Y132 HydrophobicContact CD2-CE1 3.71Å; L122-Y132 HydrophobicContact CD2-CG 4.11Å; Y132-P134 HydrophobicContact CD1-CB 4.3Å; Y132-P134 VanDerWaalsContact CD1-CD 3.49Å; Y132-P134 HydrophobicContact CD1-CG 3.8Å; Y132-P134 HydrophobicContact CE1-CB 3.59Å; Y132-P134 HydrophobicContact CE1-CG 3.54Å; Y132-P154 PolarHBondContact N-O 2.96Å; Y132-T155 HydrophobicContact CD1-CG2 3.87Å; Y132-T155 HydrophobicContact CG-CG2 4.48Å; Y132-T155 CarbonylContact O-C 3.59Å; Y132-T155 WeakPolarHBondContact O-CA 3.29Å; Y132-T155 WeakPolarHBondContact O-CG2 3.23Å; Y132-L156 PolarHBondContact O-N 2.94Å
133	V	98.9	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	79.9	178.7	-170.8	0	0	0	0	109.2	V107 V108 I109 S110 L156 V158 W200 L204 F207	V107-V133 HydrophobicContact CG1-CG2 4.2Å; V108-V133 PolarHBondContact O-N 3.22Å; I109-V133 WeakPolarHBondContact CA-O 3.44Å; I109-V133 HydrophobicContact CG1-CB 4.13Å; I109-V133 HydrophobicContact CG1-CG2 4.39Å; S110-V133 PolarHBondContact N-O 3.15Å; V133-L156 WeakPolarHBondContact CA-O 3.2Å; V133-L156 HydrophobicContact CG1-CB 4.34Å; V133-L156 HydrophobicContact CG1-CD2 4.24Å; V133-L156 HydrophobicContact CG2-CB 4.32Å; V133-V158 HydrophobicContact CG1-CG2 4.15Å; V133-W200 HydrophobicContact CG1-CH2 4.3Å; V133-W200 HydrophobicContact CG1-CZ3 4.37Å; V133-L204 HydrophobicContact CG2-CD1 4.3Å; V133-F207 HydrophobicContact CG2-CD1 3.98Å; V133-F207 HydrophobicContact CG2-CE1 3.81Å
134	P	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.4	174.5	26.3	-30.1	0	0	0	111	S110 Y132 P137 T155 L156 I157 V158 L174	S110-P134 WeakPolarHBondContact O-CA 3.29Å; Y132-P134 HydrophobicContact CD1-CB 4.3Å; Y132-P134 VanDerWaalsContact CD1-CD 3.49Å; Y132-P134 HydrophobicContact CD1-CG 3.8Å; Y132-P134 HydrophobicContact CE1-CB 3.59Å; Y132-P134 HydrophobicContact CE1-CG 3.54Å; P134-P137 HydrophobicContact CB-CG 3.74Å; P134-T155 HydrophobicContact CG-CG2 3.92Å; P134-L156 VanDerWaalsContact CD-O 3.32Å; P134-L156 WeakPolarHBondContact CD-O 3.5Å; P134-I157 HydrophobicContact CG-CG1 4.17Å; P134-V158 PolarHBondContact O-N 2.64Å; P134-L174 HydrophobicContact CB-CD1 3.85Å; P134-L174 HydrophobicContact CG-CD1 3.83Å
135	V	98.8	Very high	98.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	95.3	170.7	-164.1	0	0	0	0	110.7	S110 P111 S112 V158 C192 Y193 W200	S110-V135 PolarHBondContact O-N 3.25Å; P111-V135 CarbonylContact C-O 3.2Å; P111-V135 WeakPolarHBondContact CA-O 3.49Å; P111-V135 HydrophobicContact CB-CB 3.96Å; P111-V135 HydrophobicContact CB-CG2 4.48Å; S112-V135 PolarHBondContact N-O 2.91Å; V135-V158 VanDerWaalsContact CA-O 3.28Å; V135-V158 WeakPolarHBondContact CA-O 3.45Å; V135-V158 HydrophobicContact CG1-CB 4.34Å; V135-V158 HydrophobicContact CG1-CG1 4.46Å; V135-V158 HydrophobicContact CG2-CB 4.21Å; V135-C192 WeakPolarHBondContact CG1-SG 3.14Å; V135-Y193 HydrophobicContact CB-CD1 4.5Å; V135-Y193 HydrophobicContact CG1-CD1 4.04Å; V135-Y193 HydrophobicContact CG1-CE1 4.34Å; V135-W200 HydrophobicContact CG2-CH2 4.23Å; V135-W200 HydrophobicContact CG2-CZ3 4.01Å
136	A	98.3	Very high	98.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.202	C	C	.	.	S	Bend	trans	42.2	53.6	-174.8	0	0	0	0	0	114.8	S112 V158 D163 L166 S170	S112-A136 WeakPolarHBondContact CA-O 3.42Å; A136-V158 PolarHBondContact N-O 3.3Å; A136-D163 WeakPolarHBondContact CB-OD2 3.23Å; A136-L166 HydrophobicContact CB-CB 4.28Å; A136-S170 WeakPolarHBondContact CA-OG 3.46Å
137	P	98.4	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.209	C	C	.	.			trans	-69.9	152.3	-174.8	29.7	-35.8	0	0	0	113	S112 P134 T140 L174	S112-P137 VanDerWaalsContact O-CA 3.31Å; S112-P137 WeakPolarHBondContact O-CA 3.19Å; P134-P137 HydrophobicContact CB-CG 3.74Å; P137-T140 HydrophobicContact CB-CG2 4.47Å; P137-T140 HydrophobicContact CG-CG2 3.78Å; P137-L174 HydrophobicContact CG-CD1 3.86Å
138	I	98.4	Very high	98.5	Very high	32 Å²	32	35.4 Å²	35.4	16%	0.164	17%	0.173	C	C	.	.	S	Bend	trans	-78.9	172.2	168.1	68.2	167.3	0	0	0	111.6	S112 L113 M116 L119 T140 L166	S112-I138 PolarHBondContact O-N 3.26Å; L113-I138 HydrophobicContact CD1-CD1 3.95Å; L113-I138 WeakPolarHBondContact O-CG1 3.3Å; M116-I138 HydrophobicContact CB-CD1 4.29Å; M116-I138 HydrophobicContact CB-CG1 4.47Å; L119-I138 WeakPolarHBondContact CD1-O 3.42Å; I138-T140 PolarHBondContact O-N 3.09Å; I138-L166 HydrophobicContact CG2-CD1 4.08Å; I138-L166 HydrophobicContact CG2-CD2 4.19Å
139	C	98.2	Very high	98.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	19%	0.186	C	C	.	.			trans	64.7	12.7	176.8	-57.4	0	0	0	0	115	G86 L119 E141 K142 F143	G86-C139 VanDerWaalsContact C-SG 3.56Å; G86-C139 PolarHBondContact O-SG 2.95Å; L119-C139 HydrophobicContact CD1-CB 4.37Å; C139-E141 WeakPolarHBondContact CA-OE2 3.47Å; C139-E141 PolarHBondContact O-N 3.08Å; C139-K142 HydrophobicContact CB-CG 3.98Å; C139-K142 WeakPolarHBondContact O-CB 3.38Å; C139-K142 PolarHBondContact O-N 3.03Å; C139-K142 VanDerWaalsContact O-N 3.16Å; C139-F143 WeakPolarHBondContact O-CD2 3.34Å; C139-F143 WeakPolarHBondContact O-CE2 3.43Å
140	T	98.4	Very high	98.4	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.2	-27.4	178.5	58.9	0	0	0	0	113	L119 P137 I138 K142 Y148 N173 L174	L119-T140 HydrophobicContact CD1-CG2 3.88Å; P137-T140 HydrophobicContact CB-CG2 4.47Å; P137-T140 HydrophobicContact CG-CG2 3.78Å; I138-T140 PolarHBondContact O-N 3.09Å; T140-K142 VanDerWaalsContact C-N 3.25Å; T140-K142 PolarHBondContact O-N 2.95Å; T140-Y148 WeakPolarHBondContact CA-OH 3.29Å; T140-Y148 PolarHBondContact O-OH 3.11Å; T140-Y148 VanDerWaalsContact O-OH 3.06Å; T140-N173 PolarHBondContact OG1-ND2 2.71Å; T140-L174 HydrophobicContact CG2-CD1 4.29Å; T140-L174 HydrophobicContact CG2-CD2 4.23Å; T140-L174 HydrophobicContact CG2-CG 4.05Å
141	E	97.8	Very high	98.4	Very high	117 Å²	117	37.8 Å²	37.8	55%	0.547	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-76.2	-11.1	176.9	75.8	-64.7	159.7	0	0	113.4	C139 F143 N173	C139-E141 WeakPolarHBondContact CA-OE2 3.47Å; C139-E141 PolarHBondContact O-N 3.08Å; E141-F143 PolarHBondContact O-N 3.08Å; E141-N173 PolarHBondContact N-ND2 2.85Å
142	K	98.3	Very high	98.4	Very high	86 Å²	86	44.2 Å²	44.2	37%	0.374	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-78.3	-7.3	179.4	-59.9	-75.2	-172.8	152.4	0	112.8	G86 E87 P88 C139 T140	G86-K142 VanDerWaalsContact O-CE 3.28Å; G86-K142 WeakPolarHBondContact O-CE 3.31Å; E87-K142 IonicContact OE1-NZ 3.59Å; E87-K142 PolarHBondContact OE1-NZ 3.08Å; E87-K142 IonicContact OE2-NZ 3.29Å; E87-K142 PolarHBondContact OE2-NZ 3.1Å; P88-K142 HydrophobicContact CG-CB 3.93Å; P88-K142 HydrophobicContact CG-CG 4.08Å; C139-K142 HydrophobicContact CB-CG 3.98Å; C139-K142 WeakPolarHBondContact O-CB 3.38Å; C139-K142 PolarHBondContact O-N 3.03Å; C139-K142 VanDerWaalsContact O-N 3.16Å; T140-K142 VanDerWaalsContact C-N 3.25Å; T140-K142 PolarHBondContact O-N 2.95Å
143	F	98.3	Very high	98.4	Very high	29 Å²	29	44.5 Å²	44.5	13%	0.127	22%	0.218	C	C	.	.	S	Bend	trans	-122.7	146.1	-176.5	-55.1	-80	0	0	0	111.4	P88 L119 P120 L123 C139 E141 Y148	P88-F143 HydrophobicContact CB-CZ 4.11Å; P88-F143 HydrophobicContact CG-CZ 4.1Å; L119-F143 HydrophobicContact CB-CD2 4.07Å; L119-F143 HydrophobicContact CB-CE2 3.41Å; L119-F143 VanDerWaalsContact CB-CE2 3.41Å; L119-F143 HydrophobicContact CB-CZ 3.91Å; L119-F143 HydrophobicContact CD1-CD2 4.13Å; L119-F143 HydrophobicContact CD1-CE2 3.85Å; L119-F143 HydrophobicContact CG-CE2 4.26Å; P120-F143 HydrophobicContact CG-CZ 3.95Å; L123-F143 HydrophobicContact CD1-CB 3.95Å; L123-F143 HydrophobicContact CD1-CD1 3.05Å; L123-F143 HydrophobicContact CD1-CD2 4.13Å; L123-F143 HydrophobicContact CD1-CE1 3.43Å; L123-F143 VanDerWaalsContact CD1-CE1 3.43Å; L123-F143 HydrophobicContact CD1-CE2 4.45Å; L123-F143 HydrophobicContact CD1-CG 3.43Å; L123-F143 VanDerWaalsContact CD1-CG 3.43Å; L123-F143 HydrophobicContact CD1-CZ 4.12Å; C139-F143 WeakPolarHBondContact O-CD2 3.34Å; C139-F143 WeakPolarHBondContact O-CE2 3.43Å; E141-F143 PolarHBondContact O-N 3.08Å; F143-Y148 HydrophobicContact CB-CD2 4.48Å; F143-Y148 HydrophobicContact CB-CE2 3.82Å
144	T	98.3	Very high	98.4	Very high	71 Å²	71	46.2 Å²	46.2	44%	0.436	23%	0.229	S	C	.	.			trans	-79.7	158.3	-177.6	75.4	0	0	0	0	111.9	E146 Q147 Y148	T144-E146 PolarHBondContact O-N 2.84Å; T144-E146 PolarHBondContact OG1-N 2.69Å; T144-Q147 WeakPolarHBondContact O-CB 3.26Å; T144-Q147 PolarHBondContact O-N 2.88Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.23Å; T144-Q147 PolarHBondContact OG1-N 3.1Å; T144-Q147 PolarHBondContact OG1-OE1 3.34Å; T144-Y148 WeakPolarHBondContact O-CD2 3.5Å; T144-Y148 PolarHBondContact O-N 3.07Å; T144-Y148 VanDerWaalsContact O-N 3.13Å
145	A	98.3	Very high	98.4	Very high	33 Å²	33	46.3 Å²	46.3	27%	0.273	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-33.4	172.9	0	0	0	0	0	112.7	Y148 R149 N176	A145-Y148 PolarHBondContact O-N 3.37Å; A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 VanDerWaalsContact O-CG 3.23Å; A145-R149 WeakPolarHBondContact O-CG 3.43Å; A145-R149 PolarHBondContact O-N 2.73Å; A145-N176 HydrophobicContact CB-CB 4.32Å; A145-N176 WeakPolarHBondContact CB-OD1 3.29Å
146	E	98.4	Very high	98.4	Very high	149 Å²	149	46.4 Å²	46.4	70%	0.696	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-42.5	177.2	-69.9	165.8	-178.9	0	0	111.8	T144 Y148 R149 S150	T144-E146 PolarHBondContact O-N 2.84Å; T144-E146 PolarHBondContact OG1-N 2.69Å; E146-Y148 VanDerWaalsContact C-N 3.33Å; E146-Y148 PolarHBondContact O-N 3.01Å; E146-R149 PolarHBondContact O-N 3.06Å; E146-S150 PolarHBondContact O-N 2.87Å
147	Q	98.4	Very high	98.4	Very high	80 Å²	80	46.5 Å²	46.5	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-47.3	173.6	-72.8	175.7	-65.1	0	0	110.4	L123 T144 R149 S150	L123-Q147 HydrophobicContact CD2-CB 4.02Å; L123-Q147 WeakPolarHBondContact CD2-O 3.29Å; T144-Q147 WeakPolarHBondContact O-CB 3.26Å; T144-Q147 PolarHBondContact O-N 2.88Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.23Å; T144-Q147 PolarHBondContact OG1-N 3.1Å; T144-Q147 PolarHBondContact OG1-OE1 3.34Å; Q147-R149 PolarHBondContact O-N 2.86Å; Q147-S150 WeakPolarHBondContact O-CB 3.39Å; Q147-S150 PolarHBondContact O-N 2.8Å; Q147-S150 PolarHBondContact O-OG 3Å
148	Y	98.7	Very high	98.4	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-41.5	175.6	-75.6	-58.3	0	0	0	113.6	L119 T140 F143 T144 A145 E146 S150 V151 N173 L174 N176 L177	L119-Y148 HydrophobicContact CD2-CE1 4.1Å; T140-Y148 WeakPolarHBondContact CA-OH 3.29Å; T140-Y148 PolarHBondContact O-OH 3.11Å; T140-Y148 VanDerWaalsContact O-OH 3.06Å; F143-Y148 HydrophobicContact CB-CD2 4.48Å; F143-Y148 HydrophobicContact CB-CE2 3.82Å; T144-Y148 WeakPolarHBondContact O-CD2 3.5Å; T144-Y148 PolarHBondContact O-N 3.07Å; T144-Y148 VanDerWaalsContact O-N 3.13Å; A145-Y148 PolarHBondContact O-N 3.37Å; E146-Y148 VanDerWaalsContact C-N 3.33Å; E146-Y148 PolarHBondContact O-N 3.01Å; Y148-S150 PolarHBondContact O-N 3.33Å; Y148-V151 WeakPolarHBondContact O-CB 3.3Å; Y148-V151 PolarHBondContact O-N 3.2Å; Y148-V151 VanDerWaalsContact O-N 3.08Å; Y148-N173 HydrophobicContact CE2-CB 4.22Å; Y148-L174 HydrophobicContact CE1-CD2 3.89Å; Y148-N176 HydrophobicContact CD2-CB 4.45Å; Y148-N176 HydrophobicContact CG-CB 4.35Å; Y148-L177 HydrophobicContact CD1-CD2 3.78Å; Y148-L177 HydrophobicContact CD1-CG 4.06Å
149	R	98.4	Very high	98.4	Very high	126 Å²	126	46.4 Å²	46.4	48%	0.475	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-24.4	178.9	-73.5	170.1	-164.6	144.8	6.2	113.3	A145 E146 Q147 V151 N176 T178	A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 VanDerWaalsContact O-CG 3.23Å; A145-R149 WeakPolarHBondContact O-CG 3.43Å; A145-R149 PolarHBondContact O-N 2.73Å; E146-R149 PolarHBondContact O-N 3.06Å; Q147-R149 PolarHBondContact O-N 2.86Å; R149-V151 VanDerWaalsContact C-N 3.26Å; R149-V151 PolarHBondContact O-N 3.45Å; R149-N176 WeakPolarHBondContact CA-O 3.33Å; R149-N176 HydrophobicContact CG-CB 4.47Å; R149-N176 VanDerWaalsContact CG-O 3.24Å; R149-N176 WeakPolarHBondContact CG-O 3.5Å; R149-N176 PolarHBondContact NH2-OD1 2.67Å; R149-T178 HydrophobicContact CB-CG2 4.33Å; R149-T178 HydrophobicContact CG-CG2 4.49Å; R149-T178 WeakPolarHBondContact O-CG2 3.41Å
150	S	98	Very high	98.4	Very high	61 Å²	61	46.3 Å²	46.3	43%	0.427	23%	0.228	S	C	.	.	H	α-helix	trans	-70.1	-23.3	175.3	82.5	0	0	0	0	112.8	E146 Q147 Y148 K152	E146-S150 PolarHBondContact O-N 2.87Å; Q147-S150 WeakPolarHBondContact O-CB 3.39Å; Q147-S150 PolarHBondContact O-N 2.8Å; Q147-S150 PolarHBondContact O-OG 3Å; Y148-S150 PolarHBondContact O-N 3.33Å; S150-K152 PolarHBondContact O-N 3.1Å
151	V	98.4	Very high	98.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.			trans	-70.8	126.8	-177.8	-178.9	0	0	0	0	111.3	L122 L123 Y148 R149 V153 L177 T178	L122-V151 HydrophobicContact CD1-CG1 3.93Å; L122-V151 HydrophobicContact CD2-CG1 4.36Å; L122-V151 HydrophobicContact CG-CG1 4.1Å; L122-V151 HydrophobicContact CG-CG2 4.36Å; L123-V151 HydrophobicContact CD2-CG2 3.57Å; Y148-V151 WeakPolarHBondContact O-CB 3.3Å; Y148-V151 PolarHBondContact O-N 3.2Å; Y148-V151 VanDerWaalsContact O-N 3.08Å; R149-V151 VanDerWaalsContact C-N 3.26Å; R149-V151 PolarHBondContact O-N 3.45Å; V151-V153 HydrophobicContact CG1-CB 3.83Å; V151-V153 HydrophobicContact CG1-CG2 4.12Å; V151-L177 HydrophobicContact CB-CD2 3.56Å; V151-L177 HydrophobicContact CG1-CD2 3.78Å; V151-L177 HydrophobicContact CG2-CD2 3.87Å; V151-T178 PolarHBondContact O-OG1 3.27Å
152	K	98.3	Very high	98.3	Very high	134 Å²	134	48.4 Å²	48.4	58%	0.583	24%	0.239	S	C	*	.			trans	-103	-10.4	176.3	-55.7	-52.9	175.9	-161.8	0	114.3	Q126 S150	Q126-K152 VanDerWaalsContact OE1-N 3.07Å; S150-K152 PolarHBondContact O-N 3.1Å
153	V	98.7	Very high	98.2	Very high	8 Å²	8	45 Å²	45	5%	0.048	22%	0.224	C	C	.	.	S	Bend	trans	-59	124.7	179.8	178.4	0	0	0	0	110.6	L122 Q126 I129 V151 T155	L122-V153 HydrophobicContact CD1-CB 3.92Å; L122-V153 HydrophobicContact CD1-CG1 4.06Å; L122-V153 HydrophobicContact CD1-CG2 3.97Å; Q126-V153 HydrophobicContact CB-CG2 4.05Å; Q126-V153 HydrophobicContact CG-CG2 4.17Å; I129-V153 HydrophobicContact CB-CG1 4.3Å; I129-V153 HydrophobicContact CB-CG2 4.23Å; I129-V153 HydrophobicContact CG2-CG1 3.6Å; I129-V153 HydrophobicContact CG2-CG2 4.39Å; V151-V153 HydrophobicContact CG1-CB 3.83Å; V151-V153 HydrophobicContact CG1-CG2 4.12Å; V153-T155 PolarHBondContact O-N 3.48Å; V153-T155 PolarHBondContact O-OG1 3.08Å; V153-T155 VanDerWaalsContact O-OG1 3.1Å
154	P	98.8	Very high	97.6	Very high	36 Å²	36	48.2 Å²	48.2	23%	0.234	25%	0.247	C	C	.	.			trans	-54.7	129.2	172	-23.2	31.9	0	0	0	111.4	A131 Y132 F207 L211	A131-P154 CarbonylContact C-O 3.53Å; A131-P154 VanDerWaalsContact CA-O 3.27Å; A131-P154 WeakPolarHBondContact CA-O 3.44Å; A131-P154 HydrophobicContact CB-CB 4.46Å; A131-P154 WeakPolarHBondContact CB-O 3.44Å; Y132-P154 PolarHBondContact N-O 2.96Å; P154-F207 HydrophobicContact CB-CE2 4.49Å; P154-F207 HydrophobicContact CB-CZ 4.24Å; P154-L211 HydrophobicContact CB-CD2 3.9Å; P154-L211 HydrophobicContact CG-CD2 4.18Å
155	T	98.9	Very high	97	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.5	-174.6	-56.9	0	0	0	0	112.7	Y132 P134 V153 I157 L177 N179 H180 R181	Y132-T155 HydrophobicContact CD1-CG2 3.87Å; Y132-T155 HydrophobicContact CG-CG2 4.48Å; Y132-T155 CarbonylContact O-C 3.59Å; Y132-T155 WeakPolarHBondContact O-CA 3.29Å; Y132-T155 WeakPolarHBondContact O-CG2 3.23Å; P134-T155 HydrophobicContact CG-CG2 3.92Å; V153-T155 PolarHBondContact O-N 3.48Å; V153-T155 PolarHBondContact O-OG1 3.08Å; V153-T155 VanDerWaalsContact O-OG1 3.1Å; T155-I157 HydrophobicContact CG2-CG1 3.91Å; T155-L177 HydrophobicContact CG2-CD1 3.74Å; T155-N179 PolarHBondContact N-O 3.46Å; T155-H180 CarbonylContact O-C 3.51Å; T155-H180 VanDerWaalsContact O-CA 3.23Å; T155-H180 WeakPolarHBondContact O-CA 3.45Å; T155-R181 PolarHBondContact O-N 3.06Å
156	L	98.9	Very high	96.6	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	100.7	167.2	-178.2	72.4	0	0	0	109.6	Y132 V133 P134 V158 R181 V183 F207	Y132-L156 PolarHBondContact O-N 2.94Å; V133-L156 WeakPolarHBondContact CA-O 3.2Å; V133-L156 HydrophobicContact CG1-CB 4.34Å; V133-L156 HydrophobicContact CG1-CD2 4.24Å; V133-L156 HydrophobicContact CG2-CB 4.32Å; P134-L156 VanDerWaalsContact CD-O 3.32Å; P134-L156 WeakPolarHBondContact CD-O 3.5Å; L156-V158 HydrophobicContact CD2-CG2 3.94Å; L156-V158 HydrophobicContact CG-CG2 3.87Å; L156-R181 HydrophobicContact CD1-CB 4.01Å; L156-V183 HydrophobicContact CD1-CG2 3.77Å; L156-F207 HydrophobicContact CB-CB 4.49Å; L156-F207 HydrophobicContact CB-CD1 3.73Å; L156-F207 HydrophobicContact CB-CD2 3.97Å; L156-F207 HydrophobicContact CB-CE1 3.82Å; L156-F207 HydrophobicContact CB-CE2 4.06Å; L156-F207 HydrophobicContact CB-CG 3.8Å; L156-F207 HydrophobicContact CB-CZ 3.98Å; L156-F207 HydrophobicContact CD2-CB 3.78Å; L156-F207 HydrophobicContact CD2-CD1 4.16Å; L156-F207 HydrophobicContact CD2-CG 4Å; L156-F207 HydrophobicContact CG-CG 4.32Å
157	I	98.8	Very high	96.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.8	176.2	-54	171.1	0	0	0	108.6	P134 T155 L171 L174 H180 R181 V182 V183	P134-I157 HydrophobicContact CG-CG1 4.17Å; T155-I157 HydrophobicContact CG2-CG1 3.91Å; I157-L171 HydrophobicContact CD1-CD1 4.49Å; I157-L171 HydrophobicContact CG2-CD1 3.97Å; I157-L174 HydrophobicContact CD1-CB 3.65Å; I157-L174 HydrophobicContact CG1-CB 4.26Å; I157-L174 HydrophobicContact CG2-CD1 4.25Å; I157-H180 HydrophobicContact CD1-CB 3.98Å; I157-H180 HydrophobicContact CG1-CB 4.35Å; I157-R181 PolarHBondContact N-O 3.16Å; I157-V182 HydrophobicContact CB-CG2 4.4Å; I157-V182 HydrophobicContact CD1-CG2 4.44Å; I157-V182 CarbonylContact O-C 3.53Å; I157-V182 WeakPolarHBondContact O-CA 3.4Å; I157-V183 PolarHBondContact O-N 3.26Å
158	V	98.7	Very high	95.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.3	179.3	-170.6	0	0	0	0	109.9	V133 P134 V135 A136 L156 V183 M185 W200	V133-V158 HydrophobicContact CG1-CG2 4.15Å; P134-V158 PolarHBondContact O-N 2.64Å; V135-V158 VanDerWaalsContact CA-O 3.28Å; V135-V158 WeakPolarHBondContact CA-O 3.45Å; V135-V158 HydrophobicContact CG1-CB 4.34Å; V135-V158 HydrophobicContact CG1-CG1 4.46Å; V135-V158 HydrophobicContact CG2-CB 4.21Å; A136-V158 PolarHBondContact N-O 3.3Å; L156-V158 HydrophobicContact CD2-CG2 3.94Å; L156-V158 HydrophobicContact CG-CG2 3.87Å; V158-V183 WeakPolarHBondContact CA-O 3.5Å; V158-V183 HydrophobicContact CG1-CG1 4.45Å; V158-V183 HydrophobicContact CG2-CB 4.37Å; V158-M185 HydrophobicContact CG1-CG 4.23Å; V158-M185 HydrophobicContact CG1-SD 3.86Å; V158-W200 HydrophobicContact CG1-CE3 4.5Å; V158-W200 HydrophobicContact CG1-CZ3 4.5Å; V158-W200 HydrophobicContact CG2-CZ3 4.37Å
159	Y	98.4	Very high	95.5	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.122	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	160.5	167.9	70.2	-75	0	0	0	110.7	L171 V182 V183 V184 M185	Y159-L171 HydrophobicContact CE1-CB 4.41Å; Y159-L171 HydrophobicContact CE1-CD1 4.17Å; Y159-L171 HydrophobicContact CE1-CD2 3.69Å; Y159-L171 HydrophobicContact CE1-CG 4.3Å; Y159-L171 WeakPolarHBondContact OH-CD2 3.39Å; Y159-V182 HydrophobicContact CE1-CG1 3.9Å; Y159-V183 PolarHBondContact N-O 2.95Å; Y159-V184 HydrophobicContact CE1-CB 4.4Å; Y159-V184 HydrophobicContact CE1-CG1 4.38Å; Y159-V184 HydrophobicContact CE1-CG2 3.6Å; Y159-V184 HydrophobicContact CE2-CG1 4.03Å; Y159-V184 CarbonylContact O-C 3.51Å; Y159-V184 WeakPolarHBondContact O-CA 3.3Å; Y159-V184 WeakPolarHBondContact OH-CG2 3.33Å; Y159-M185 PolarHBondContact O-N 2.9Å
160	G	98.1	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.4	173.3	0	0	0	0	0	112.4	Q162 D163 M185 A188	G160-Q162 PolarHBondContact O-N 3.43Å; G160-D163 WeakPolarHBondContact O-CB 3.09Å; G160-D163 PolarHBondContact O-N 2.95Å; G160-D163 VanDerWaalsContact O-N 3.08Å; G160-M185 WeakPolarHBondContact CA-O 3.22Å; G160-A188 CarbonylContact C-O 3.57Å; G160-A188 WeakPolarHBondContact CA-O 3.48Å
161	D	96.4	Very high	95.4	Very high	47 Å²	47	41.3 Å²	41.3	25%	0.251	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-10.5	-178.4	75.2	-3.4	0	0	0	114.9	V184 M185 K186 G187 A188	D161-V184 HydrophobicContact CB-CG1 3.77Å; D161-M185 PolarHBondContact N-O 2.97Å; D161-K186 WeakPolarHBondContact OD2-CD 3.44Å; D161-K186 IonicContact OD2-NZ 3.42Å; D161-K186 PolarHBondContact OD2-NZ 3.34Å; D161-G187 PolarHBondContact OD1-N 2.94Å; D161-A188 PolarHBondContact N-O 3.06Å
162	Q	96.9	Very high	95.3	Very high	117 Å²	117	48.8 Å²	48.8	55%	0.547	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.3	171.1	-53.2	-55.5	-45.1	0	0	112.7	G160 T164 A188	G160-Q162 PolarHBondContact O-N 3.43Å; Q162-T164 VanDerWaalsContact C-N 3.28Å; Q162-T164 PolarHBondContact O-N 2.92Å; Q162-T164 VanDerWaalsContact O-N 3.07Å; Q162-A188 WeakPolarHBondContact CB-O 3.38Å; Q162-A188 PolarHBondContact N-O 3.22Å
163	D	95.3	Very high	95.3	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	22%	0.222	C	C	.	.			trans	-81.4	76.1	168.7	-174.1	2.4	0	0	0	110.7	A136 G160 Q165 L166 G167 H190	A136-D163 WeakPolarHBondContact CB-OD2 3.23Å; G160-D163 WeakPolarHBondContact O-CB 3.09Å; G160-D163 PolarHBondContact O-N 2.95Å; G160-D163 VanDerWaalsContact O-N 3.08Å; D163-Q165 PolarHBondContact O-N 3.37Å; D163-Q165 PolarHBondContact OD1-N 3.39Å; D163-L166 PolarHBondContact OD1-N 2.68Å; D163-L166 VanDerWaalsContact OD1-N 3.08Å; D163-G167 WeakPolarHBondContact O-CA 3.32Å; D163-G167 PolarHBondContact O-N 3.03Å; D163-G167 PolarHBondContact OD1-N 3.12Å; D163-G167 PolarHBondContact OD2-N 2.98Å; D163-H190 HydrophobicContact CB-CB 4.33Å; D163-H190 IonicContact OD1-ND1 2.73Å; D163-H190 IonicContact OD2-CE1 2.85Å; D163-H190 IonicContact OD2-CG 3.36Å; D163-H190 IonicContact OD2-ND1 3.73Å; D163-H190 PolarHBondContact OD2-ND1 3.02Å
164	T	87.5	Confident	95.3	Very high	98 Å²	98	44.1 Å²	44.1	60%	0.601	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-4	-175.3	56.6	0	0	0	0	114.2	Q162	Q162-T164 VanDerWaalsContact C-N 3.28Å; Q162-T164 PolarHBondContact O-N 2.92Å; Q162-T164 VanDerWaalsContact O-N 3.07Å
165	Q	85.4	Confident	95.3	Very high	157 Å²	157	44.9 Å²	44.9	73%	0.734	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-72.7	179.4	-65.6	-175.5	31.5	0	0	111.4	D163 A169	D163-Q165 PolarHBondContact O-N 3.37Å; D163-Q165 PolarHBondContact OD1-N 3.39Å; Q165-A169 VanDerWaalsContact O-CB 3.24Å; Q165-A169 WeakPolarHBondContact O-CB 3.45Å; Q165-A169 PolarHBondContact O-N 3.49Å
166	L	89.1	Confident	95.3	Very high	57 Å²	57	46.8 Å²	46.8	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-81.4	-32.6	-172.5	-75.9	173.5	0	0	0	111.8	A136 I138 D163 A169 S170 H190	A136-L166 HydrophobicContact CB-CB 4.28Å; I138-L166 HydrophobicContact CG2-CD1 4.08Å; I138-L166 HydrophobicContact CG2-CD2 4.19Å; D163-L166 PolarHBondContact OD1-N 2.68Å; D163-L166 VanDerWaalsContact OD1-N 3.08Å; L166-A169 PolarHBondContact O-N 2.98Å; L166-S170 WeakPolarHBondContact O-CB 3.42Å; L166-S170 PolarHBondContact O-N 3.01Å; L166-S170 PolarHBondContact O-OG 3.41Å; L166-H190 VanDerWaalsContact CD1-CE1 3.43Å; L166-H190 WeakPolarHBondContact CD1-CE1 3.4Å
167	G	87.8	Confident	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.9	-58.9	-179.8	0	0	0	0	0	111.6	D163 S170 L171	D163-G167 WeakPolarHBondContact O-CA 3.32Å; D163-G167 PolarHBondContact O-N 3.03Å; D163-G167 PolarHBondContact OD1-N 3.12Å; D163-G167 PolarHBondContact OD2-N 2.98Å; G167-S170 PolarHBondContact O-OG 2.7Å; G167-S170 VanDerWaalsContact O-OG 3.11Å; G167-L171 VanDerWaalsContact O-CB 3.29Å; G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.23Å
168	E	91.4	Very high	95.1	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-67.5	-40.6	179	-64	-170.9	175.1	0	0	113.3	L171 R172	E168-L171 PolarHBondContact O-N 3.16Å; E168-R172 WeakPolarHBondContact O-CG 3.26Å; E168-R172 PolarHBondContact O-N 2.98Å; E168-R172 IonicContact OE2-NH1 2.85Å
169	A	93.4	Very high	95.1	Very high	28 Å²	28	54.2 Å²	54.2	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-46.6	-178.1	0	0	0	0	0	112	Q165 L166 R172 N173	Q165-A169 VanDerWaalsContact O-CB 3.24Å; Q165-A169 WeakPolarHBondContact O-CB 3.45Å; Q165-A169 PolarHBondContact O-N 3.49Å; L166-A169 PolarHBondContact O-N 2.98Å; A169-R172 PolarHBondContact O-N 3.21Å; A169-N173 PolarHBondContact O-ND2 3.35Å
170	S	96.6	Very high	95.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-40.8	177	66.6	0	0	0	0	111.7	A136 L166 G167 R172 N173 L174	A136-S170 WeakPolarHBondContact CA-OG 3.46Å; L166-S170 WeakPolarHBondContact O-CB 3.42Å; L166-S170 PolarHBondContact O-N 3.01Å; L166-S170 PolarHBondContact O-OG 3.41Å; G167-S170 PolarHBondContact O-OG 2.7Å; G167-S170 VanDerWaalsContact O-OG 3.11Å; S170-R172 VanDerWaalsContact C-N 3.35Å; S170-R172 PolarHBondContact O-N 2.82Å; S170-N173 PolarHBondContact O-N 2.93Å; S170-L174 WeakPolarHBondContact O-CB 3.43Å; S170-L174 VanDerWaalsContact O-CG 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.86Å
171	L	97.6	Very high	95.1	Very high	32 Å²	32	62.2 Å²	62.2	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-57.7	-46.4	176.5	177.4	68.3	0	0	0	111.5	I157 Y159 G167 E168 N173 L174 S175 V182	I157-L171 HydrophobicContact CD1-CD1 4.49Å; I157-L171 HydrophobicContact CG2-CD1 3.97Å; Y159-L171 HydrophobicContact CE1-CB 4.41Å; Y159-L171 HydrophobicContact CE1-CD1 4.17Å; Y159-L171 HydrophobicContact CE1-CD2 3.69Å; Y159-L171 HydrophobicContact CE1-CG 4.3Å; Y159-L171 WeakPolarHBondContact OH-CD2 3.39Å; G167-L171 VanDerWaalsContact O-CB 3.29Å; G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.23Å; E168-L171 PolarHBondContact O-N 3.16Å; L171-N173 VanDerWaalsContact C-N 3.26Å; L171-N173 PolarHBondContact O-N 3.17Å; L171-L174 PolarHBondContact O-N 2.89Å; L171-S175 VanDerWaalsContact O-CB 3.32Å; L171-S175 WeakPolarHBondContact O-CB 3.24Å; L171-S175 PolarHBondContact O-N 2.75Å; L171-S175 PolarHBondContact O-OG 3.48Å; L171-V182 HydrophobicContact CD1-CG1 3.94Å; L171-V182 HydrophobicContact CD1-CG2 3.98Å
172	R	97.4	Very high	95.2	Very high	156 Å²	156	63 Å²	63	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-55.7	-42.5	-179.5	-76.7	-171.2	-59.6	-98.5	5.1	112.1	E168 A169 S170	E168-R172 WeakPolarHBondContact O-CG 3.26Å; E168-R172 PolarHBondContact O-N 2.98Å; E168-R172 IonicContact OE2-NH1 2.85Å; A169-R172 PolarHBondContact O-N 3.21Å; S170-R172 VanDerWaalsContact C-N 3.35Å; S170-R172 PolarHBondContact O-N 2.82Å
173	N	98.1	Very high	95.3	Very high	45 Å²	45	59 Å²	59	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-74.6	-50	179.7	-65.6	-33	0	0	0	111.3	T140 E141 Y148 A169 S170 L171 S175 N176	T140-N173 PolarHBondContact OG1-ND2 2.71Å; E141-N173 PolarHBondContact N-ND2 2.85Å; Y148-N173 HydrophobicContact CE2-CB 4.22Å; A169-N173 PolarHBondContact O-ND2 3.35Å; S170-N173 PolarHBondContact O-N 2.93Å; L171-N173 VanDerWaalsContact C-N 3.26Å; L171-N173 PolarHBondContact O-N 3.17Å; N173-S175 PolarHBondContact O-N 3.44Å; N173-N176 WeakPolarHBondContact O-CB 3.32Å; N173-N176 PolarHBondContact O-N 3.5Å; N173-N176 VanDerWaalsContact O-N 3.16Å; N173-N176 PolarHBondContact O-ND2 3.15Å
174	L	98.4	Very high	95.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-23	-176.6	-67.4	171.9	0	0	0	113.4	L119 P134 P137 T140 Y148 I157 S170 L171 N176 L177	L119-L174 HydrophobicContact CD2-CD2 4.11Å; P134-L174 HydrophobicContact CB-CD1 3.85Å; P134-L174 HydrophobicContact CG-CD1 3.83Å; P137-L174 HydrophobicContact CG-CD1 3.86Å; T140-L174 HydrophobicContact CG2-CD1 4.29Å; T140-L174 HydrophobicContact CG2-CD2 4.23Å; T140-L174 HydrophobicContact CG2-CG 4.05Å; Y148-L174 HydrophobicContact CE1-CD2 3.89Å; I157-L174 HydrophobicContact CD1-CB 3.65Å; I157-L174 HydrophobicContact CG1-CB 4.26Å; I157-L174 HydrophobicContact CG2-CD1 4.25Å; S170-L174 WeakPolarHBondContact O-CB 3.43Å; S170-L174 VanDerWaalsContact O-CG 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.38Å; S170-L174 PolarHBondContact O-N 2.86Å; L171-L174 PolarHBondContact O-N 2.89Å; L174-N176 PolarHBondContact O-N 3.17Å; L174-L177 HydrophobicContact CB-CD1 4.36Å; L174-L177 HydrophobicContact CD2-CD1 4.08Å; L174-L177 VanDerWaalsContact O-CB 3.26Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; L174-L177 WeakPolarHBondContact O-CD1 3.24Å; L174-L177 VanDerWaalsContact O-CG 3.23Å; L174-L177 WeakPolarHBondContact O-CG 2.98Å; L174-L177 PolarHBondContact O-N 3.31Å
175	S	98.1	Very high	95.9	Very high	52 Å²	52	56.2 Å²	56.2	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.1	174.5	-61.4	0	0	0	0	113.4	L171 N173 L177 H180	L171-S175 VanDerWaalsContact O-CB 3.32Å; L171-S175 WeakPolarHBondContact O-CB 3.24Å; L171-S175 PolarHBondContact O-N 2.75Å; L171-S175 PolarHBondContact O-OG 3.48Å; N173-S175 PolarHBondContact O-N 3.44Å; S175-L177 VanDerWaalsContact C-N 3.29Å; S175-H180 PolarHBondContact O-CE1 2.88Å; S175-H180 VanDerWaalsContact O-CE1 3.31Å
176	N	98.4	Very high	96.4	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.219	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.8	169.9	-70.2	-76.3	0	0	0	113.8	A145 Y148 R149 N173 L174 T178	A145-N176 HydrophobicContact CB-CB 4.32Å; A145-N176 WeakPolarHBondContact CB-OD1 3.29Å; Y148-N176 HydrophobicContact CD2-CB 4.45Å; Y148-N176 HydrophobicContact CG-CB 4.35Å; R149-N176 WeakPolarHBondContact CA-O 3.33Å; R149-N176 HydrophobicContact CG-CB 4.47Å; R149-N176 VanDerWaalsContact CG-O 3.24Å; R149-N176 WeakPolarHBondContact CG-O 3.5Å; R149-N176 PolarHBondContact NH2-OD1 2.67Å; N173-N176 WeakPolarHBondContact O-CB 3.32Å; N173-N176 PolarHBondContact O-N 3.5Å; N173-N176 VanDerWaalsContact O-N 3.16Å; N173-N176 PolarHBondContact O-ND2 3.15Å; L174-N176 PolarHBondContact O-N 3.17Å; N176-T178 PolarHBondContact O-N 3.29Å
177	L	98.5	Very high	96.8	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	30%	0.297	C	S	.	.			trans	-62.4	133.1	173	-68.4	168.5	0	0	0	109.7	L122 Y148 V151 T155 L174 S175 N179 H180	L122-L177 HydrophobicContact CD2-CD2 4.39Å; Y148-L177 HydrophobicContact CD1-CD2 3.78Å; Y148-L177 HydrophobicContact CD1-CG 4.06Å; V151-L177 HydrophobicContact CB-CD2 3.56Å; V151-L177 HydrophobicContact CG1-CD2 3.78Å; V151-L177 HydrophobicContact CG2-CD2 3.87Å; T155-L177 HydrophobicContact CG2-CD1 3.74Å; L174-L177 HydrophobicContact CB-CD1 4.36Å; L174-L177 HydrophobicContact CD2-CD1 4.08Å; L174-L177 VanDerWaalsContact O-CB 3.26Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; L174-L177 WeakPolarHBondContact O-CD1 3.24Å; L174-L177 VanDerWaalsContact O-CG 3.23Å; L174-L177 WeakPolarHBondContact O-CG 2.98Å; L174-L177 PolarHBondContact O-N 3.31Å; S175-L177 VanDerWaalsContact C-N 3.29Å; L177-N179 PolarHBondContact O-N 3.41Å; L177-H180 HydrophobicContact CB-CB 4.28Å; L177-H180 PolarHBondContact O-CE1 3.36Å; L177-H180 PolarHBondContact O-ND1 3.04Å
178	T	95.9	Very high	97.3	Very high	82 Å²	82	56.4 Å²	56.4	50%	0.503	30%	0.298	S	S	.	.	S	Bend	trans	-77.9	-22.4	-173.2	55.4	0	0	0	0	114.5	R149 V151 N176	R149-T178 HydrophobicContact CB-CG2 4.33Å; R149-T178 HydrophobicContact CG-CG2 4.49Å; R149-T178 WeakPolarHBondContact O-CG2 3.41Å; V151-T178 PolarHBondContact O-OG1 3.27Å; N176-T178 PolarHBondContact O-N 3.29Å
179	N	97.7	Very high	97.5	Very high	78 Å²	78	52.6 Å²	52.6	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	-123.5	75.9	-177.9	-174.9	7.4	0	0	0	109.9	T155 L177	T155-N179 PolarHBondContact N-O 3.46Å; L177-N179 PolarHBondContact O-N 3.41Å
180	H	98.6	Very high	97.7	Very high	65 Å²	65	53.3 Å²	53.3	30%	0.301	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.4	-178.5	73.9	-86.2	0	0	0	113.4	T155 I157 S175 L177	T155-H180 CarbonylContact O-C 3.51Å; T155-H180 VanDerWaalsContact O-CA 3.23Å; T155-H180 WeakPolarHBondContact O-CA 3.45Å; I157-H180 HydrophobicContact CD1-CB 3.98Å; I157-H180 HydrophobicContact CG1-CB 4.35Å; S175-H180 PolarHBondContact O-CE1 2.88Å; S175-H180 VanDerWaalsContact O-CE1 3.31Å; L177-H180 HydrophobicContact CB-CB 4.28Å; L177-H180 PolarHBondContact O-CE1 3.36Å; L177-H180 PolarHBondContact O-ND1 3.04Å
181	R	98.5	Very high	97.6	Very high	133 Å²	133	54.2 Å²	54.2	50%	0.502	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.1	164.5	-66.5	171.4	64.5	-175.8	-0.6	108.3	T155 L156 I157	T155-R181 PolarHBondContact O-N 3.06Å; L156-R181 HydrophobicContact CD1-CB 4.01Å; I157-R181 PolarHBondContact N-O 3.16Å
182	V	98.4	Very high	97.6	Very high	63 Å²	63	52.7 Å²	52.7	38%	0.382	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.9	179.2	-174.2	0	0	0	0	109.8	I157 Y159 L171 V184	I157-V182 HydrophobicContact CB-CG2 4.4Å; I157-V182 HydrophobicContact CD1-CG2 4.44Å; I157-V182 CarbonylContact O-C 3.53Å; I157-V182 WeakPolarHBondContact O-CA 3.4Å; Y159-V182 HydrophobicContact CE1-CG1 3.9Å; L171-V182 HydrophobicContact CD1-CG1 3.94Å; L171-V182 HydrophobicContact CD1-CG2 3.98Å; V182-V184 HydrophobicContact CG1-CG2 4.02Å
183	V	98.4	Very high	97.5	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.2	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116	169.3	172	0	0	0	0	108.2	L156 I157 V158 Y159 M185 A203	L156-V183 HydrophobicContact CD1-CG2 3.77Å; I157-V183 PolarHBondContact O-N 3.26Å; V158-V183 WeakPolarHBondContact CA-O 3.5Å; V158-V183 HydrophobicContact CG1-CG1 4.45Å; V158-V183 HydrophobicContact CG2-CB 4.37Å; Y159-V183 PolarHBondContact N-O 2.95Å; V183-M185 HydrophobicContact CG1-CG 4.31Å; V183-A203 HydrophobicContact CG1-CB 4.14Å; V183-A203 HydrophobicContact CG2-CB 4.26Å
184	V	97.9	Very high	97.4	Very high	53 Å²	53	45.9 Å²	45.9	32%	0.321	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.2	174.3	-169.6	0	0	0	0	108.2	Y159 D161 V182 K186	Y159-V184 HydrophobicContact CE1-CB 4.4Å; Y159-V184 HydrophobicContact CE1-CG1 4.38Å; Y159-V184 HydrophobicContact CE1-CG2 3.6Å; Y159-V184 HydrophobicContact CE2-CG1 4.03Å; Y159-V184 CarbonylContact O-C 3.51Å; Y159-V184 WeakPolarHBondContact O-CA 3.3Å; Y159-V184 WeakPolarHBondContact OH-CG2 3.33Å; D161-V184 HydrophobicContact CB-CG1 3.77Å; V182-V184 HydrophobicContact CG1-CG2 4.02Å; V184-K186 PolarHBondContact O-N 3.44Å
185	M	97.5	Very high	97.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.6	179.2	-64.4	-178.8	65	0	0	109.6	V158 Y159 G160 D161 V183 A188 C192 D196 T199 W200	V158-M185 HydrophobicContact CG1-CG 4.23Å; V158-M185 HydrophobicContact CG1-SD 3.86Å; Y159-M185 PolarHBondContact O-N 2.9Å; G160-M185 WeakPolarHBondContact CA-O 3.22Å; D161-M185 PolarHBondContact N-O 2.97Å; V183-M185 HydrophobicContact CG1-CG 4.31Å; M185-A188 HydrophobicContact CB-CB 3.73Å; M185-A188 PolarHBondContact O-N 3.46Å; M185-C192 HydrophobicContact CB-CB 4.09Å; M185-C192 HydrophobicContact CE-CB 4.25Å; M185-C192 WeakPolarHBondContact CE-O 3.39Å; M185-C192 HydrophobicContact CG-CB 4.38Å; M185-C192 HydrophobicContact SD-CB 3.65Å; M185-C192 PolarHBondContact SD-SG 3.42Å; M185-D196 HydrophobicContact CE-CB 3.73Å; M185-D196 WeakPolarHBondContact CE-O 3.24Å; M185-T199 HydrophobicContact CE-CG2 4.28Å; M185-T199 HydrophobicContact CG-CG2 4.08Å; M185-W200 HydrophobicContact CE-CB 4.02Å; M185-W200 HydrophobicContact SD-CB 4.49Å
186	K	97.2	Very high	97.3	Very high	156 Å²	156	50.2 Å²	50.2	68%	0.678	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	130.3	-175.2	-70.5	-60	-171.3	178	0	111.6	D161 V184 A188	D161-K186 WeakPolarHBondContact OD2-CD 3.44Å; D161-K186 IonicContact OD2-NZ 3.42Å; D161-K186 PolarHBondContact OD2-NZ 3.34Å; V184-K186 PolarHBondContact O-N 3.44Å; K186-A188 PolarHBondContact O-N 3.43Å
187	G	96.9	Very high	97.2	Very high	60 Å²	60	51.4 Å²	51.4	62%	0.619	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.8	-179.7	0	0	0	0	0	114.5	D161	D161-G187 PolarHBondContact OD1-N 2.94Å
188	A	97.3	Very high	97.1	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	32%	0.315	C	S	.	.			trans	-93.5	145.8	-179.4	0	0	0	0	0	111.4	G160 D161 Q162 M185 K186 C192 D195	G160-A188 CarbonylContact C-O 3.57Å; G160-A188 WeakPolarHBondContact CA-O 3.48Å; D161-A188 PolarHBondContact N-O 3.06Å; Q162-A188 WeakPolarHBondContact CB-O 3.38Å; Q162-A188 PolarHBondContact N-O 3.22Å; M185-A188 HydrophobicContact CB-CB 3.73Å; M185-A188 PolarHBondContact O-N 3.46Å; K186-A188 PolarHBondContact O-N 3.43Å; A188-C192 HydrophobicContact CB-CB 3.6Å; A188-D195 HydrophobicContact CB-CB 3.9Å
189	G	96.8	Very high	97.2	Very high	20 Å²	20	56.4 Å²	56.4	21%	0.206	31%	0.307	C	S	.	.			trans	-89.3	-154.5	176	0	0	0	0	0	113	C192 D195	G189-C192 WeakPolarHBondContact O-CB 3.47Å; G189-C192 PolarHBondContact O-N 2.93Å; G189-D195 PolarHBondContact N-OD2 3.43Å
190	H	96.8	Very high	97.2	Very high	44 Å²	44	52.7 Å²	52.7	20%	0.204	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-50.3	-176.6	-178.4	63.3	0	0	0	114.1	S112 D163 L166 C192	S112-H190 WeakPolarHBondContact CB-NE2 3.3Å; S112-H190 PolarHBondContact OG-NE2 3.45Å; D163-H190 HydrophobicContact CB-CB 4.33Å; D163-H190 IonicContact OD1-ND1 2.73Å; D163-H190 IonicContact OD2-CE1 2.85Å; D163-H190 IonicContact OD2-CG 3.36Å; D163-H190 IonicContact OD2-ND1 3.73Å; D163-H190 PolarHBondContact OD2-ND1 3.02Å; L166-H190 VanDerWaalsContact CD1-CE1 3.43Å; L166-H190 WeakPolarHBondContact CD1-CE1 3.4Å; H190-C192 PolarHBondContact O-N 3.2Å
191	P	95.4	Very high	97.2	Very high	19 Å²	19	51 Å²	51	12%	0.123	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	59.7	171.8	37.2	-35.8	0	0	0	110.6	F44 Y193 L194	F44-P191 HydrophobicContact CE2-CB 3.84Å; F44-P191 HydrophobicContact CZ-CB 3.89Å; F44-P191 HydrophobicContact CZ-CG 4.31Å; P191-Y193 HydrophobicContact CB-CE1 4.48Å; P191-Y193 PolarHBondContact O-N 3.26Å; P191-L194 HydrophobicContact CB-CD1 3.93Å; P191-L194 HydrophobicContact CB-CG 4.16Å; P191-L194 HydrophobicContact CG-CD1 4.41Å; P191-L194 WeakPolarHBondContact O-CB 3.45Å; P191-L194 PolarHBondContact O-N 2.84Å
192	C	96.5	Very high	97.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-29.3	-170	60	0	0	0	0	114	V135 M185 A188 G189 H190 L194 D195 D196	V135-C192 WeakPolarHBondContact CG1-SG 3.14Å; M185-C192 HydrophobicContact CB-CB 4.09Å; M185-C192 HydrophobicContact CE-CB 4.25Å; M185-C192 WeakPolarHBondContact CE-O 3.39Å; M185-C192 HydrophobicContact CG-CB 4.38Å; M185-C192 HydrophobicContact SD-CB 3.65Å; M185-C192 PolarHBondContact SD-SG 3.42Å; A188-C192 HydrophobicContact CB-CB 3.6Å; G189-C192 WeakPolarHBondContact O-CB 3.47Å; G189-C192 PolarHBondContact O-N 2.93Å; H190-C192 PolarHBondContact O-N 3.2Å; C192-L194 PolarHBondContact O-N 3.04Å; C192-D195 PolarHBondContact O-N 3.18Å; C192-D195 VanDerWaalsContact O-N 3.09Å; C192-D196 PolarHBondContact O-N 3.47Å
193	Y	96.4	Very high	97.2	Very high	6 Å²	6	49 Å²	49	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-6.3	173.8	56.5	-96.4	0	0	0	114.7	F44 W49 I52 P111 V135 P191 L197	F44-Y193 WeakPolarHBondContact CD2-OH 3.39Å; W49-Y193 HydrophobicContact CH2-CD1 4.25Å; W49-Y193 AromaticContact CH2-CD2 3.89Å; W49-Y193 HydrophobicContact CH2-CD2 3.89Å; W49-Y193 HydrophobicContact CH2-CE1 4.45Å; W49-Y193 HydrophobicContact CH2-CE2 4.09Å; W49-Y193 AromaticContact CH2-CG 3.98Å; W49-Y193 HydrophobicContact CH2-CG 3.98Å; W49-Y193 AromaticContact CZ3-CD2 3.88Å; W49-Y193 HydrophobicContact CZ3-CD2 3.88Å; W49-Y193 HydrophobicContact CZ3-CE2 4.37Å; W49-Y193 HydrophobicContact CZ3-CG 4.15Å; I52-Y193 HydrophobicContact CD1-CD2 4.07Å; P111-Y193 HydrophobicContact CB-CE1 3.62Å; P111-Y193 HydrophobicContact CG-CE1 4.3Å; V135-Y193 HydrophobicContact CB-CD1 4.5Å; V135-Y193 HydrophobicContact CG1-CD1 4.04Å; V135-Y193 HydrophobicContact CG1-CE1 4.34Å; P191-Y193 HydrophobicContact CB-CE1 4.48Å; P191-Y193 PolarHBondContact O-N 3.26Å; Y193-L197 WeakPolarHBondContact O-CD2 3.47Å
194	L	96.4	Very high	97.2	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.277	26%	0.263	S	S	.	.	H	α-helix	trans	-100.9	-23.6	170.2	-58.4	-177	0	0	0	112.5	F44 I52 P191 C192	F44-L194 HydrophobicContact CD1-CD1 4.33Å; F44-L194 HydrophobicContact CE1-CD1 3.54Å; F44-L194 HydrophobicContact CE2-CD1 4.38Å; F44-L194 HydrophobicContact CZ-CD1 3.56Å; I52-L194 HydrophobicContact CD1-CD2 4.04Å; I52-L194 HydrophobicContact CG2-CD2 3.49Å; I52-L194 VanDerWaalsContact CG2-CD2 3.49Å; P191-L194 HydrophobicContact CB-CD1 3.93Å; P191-L194 HydrophobicContact CB-CG 4.16Å; P191-L194 HydrophobicContact CG-CD1 4.41Å; P191-L194 WeakPolarHBondContact O-CB 3.45Å; P191-L194 PolarHBondContact O-N 2.84Å; C192-L194 PolarHBondContact O-N 3.04Å
195	D	96.7	Very high	97.2	Very high	91 Å²	91	46.2 Å²	46.2	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-83.6	-36.7	-175.3	-61.5	-33.6	0	0	0	111.8	A188 G189 C192	A188-D195 HydrophobicContact CB-CB 3.9Å; G189-D195 PolarHBondContact N-OD2 3.43Å; C192-D195 PolarHBondContact O-N 3.18Å; C192-D195 VanDerWaalsContact O-N 3.09Å
196	D	96.4	Very high	97.2	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	27%	0.273	S	S	.	.			trans	-138.1	90.5	177.8	-178.2	-10	0	0	0	110.4	M185 C192 D198 T199 W200	M185-D196 HydrophobicContact CE-CB 3.73Å; M185-D196 WeakPolarHBondContact CE-O 3.24Å; C192-D196 PolarHBondContact O-N 3.47Å; D196-D198 PolarHBondContact OD1-N 3.26Å; D196-T199 VanDerWaalsContact CG-OG1 3.22Å; D196-T199 WeakPolarHBondContact OD1-CB 3.47Å; D196-T199 PolarHBondContact OD1-N 2.98Å; D196-T199 PolarHBondContact OD1-OG1 3.19Å; D196-T199 WeakPolarHBondContact OD2-CB 3.23Å; D196-T199 PolarHBondContact OD2-OG1 3.27Å; D196-W200 WeakPolarHBondContact O-CB 3.48Å; D196-W200 PolarHBondContact O-N 3.27Å; D196-W200 VanDerWaalsContact O-N 3.1Å
197	L	96.4	Very high	97.3	Very high	67 Å²	67	42.4 Å²	42.4	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-40.1	-177.4	-58.5	-174.5	0	0	0	112.3	I52 Y193 W200 H201	I52-L197 HydrophobicContact CB-CD2 3.83Å; I52-L197 HydrophobicContact CD1-CD2 4.33Å; I52-L197 HydrophobicContact CG2-CD2 4.03Å; Y193-L197 WeakPolarHBondContact O-CD2 3.47Å; L197-W200 PolarHBondContact O-N 3.34Å; L197-H201 WeakPolarHBondContact O-CB 3.33Å; L197-H201 PolarHBondContact O-N 2.86Å
198	D	96.6	Very high	97.3	Very high	134 Å²	134	39.9 Å²	39.9	72%	0.717	21%	0.214	S	C	*	.	H	α-helix	trans	-66.7	-47.1	-175.6	-73.1	-23.4	0	0	0	110.6	D196 W200 K202	D196-D198 PolarHBondContact OD1-N 3.26Å; D198-W200 VanDerWaalsContact C-N 3.34Å; D198-K202 WeakPolarHBondContact O-CB 3.34Å; D198-K202 PolarHBondContact O-N 3.3Å
199	T	97.6	Very high	97.3	Very high	55 Å²	55	47 Å²	47	34%	0.337	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-42	175.7	-65.4	0	0	0	0	110.9	M185 D196 A203	M185-T199 HydrophobicContact CE-CG2 4.28Å; M185-T199 HydrophobicContact CG-CG2 4.08Å; D196-T199 VanDerWaalsContact CG-OG1 3.22Å; D196-T199 WeakPolarHBondContact OD1-CB 3.47Å; D196-T199 PolarHBondContact OD1-N 2.98Å; D196-T199 PolarHBondContact OD1-OG1 3.19Å; D196-T199 WeakPolarHBondContact OD2-CB 3.23Å; D196-T199 PolarHBondContact OD2-OG1 3.27Å; T199-A203 WeakPolarHBondContact O-CB 3.43Å; T199-A203 PolarHBondContact O-N 3.1Å
200	W	98.4	Very high	97.3	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-56.1	177.5	163.6	-113.9	0	0	0	112.4	W49 T54 I109 V133 V135 V158 M185 D196 L197 D198 K202 A203 L204	W49-W200 HydrophobicContact CH2-CH2 4.38Å; W49-W200 AromaticContact CH2-CZ2 3.78Å; W49-W200 HydrophobicContact CH2-CZ2 3.78Å; W49-W200 AromaticContact CZ3-CE2 3.88Å; W49-W200 AromaticContact CZ3-CZ2 3.63Å; W49-W200 HydrophobicContact CZ3-CZ2 3.63Å; W49-W200 AromaticContact CZ3-NE1 3.83Å; T54-W200 PolarHBondContact OG1-NE1 3.03Å; I109-W200 HydrophobicContact CD1-CH2 4.49Å; I109-W200 HydrophobicContact CD1-CZ2 4.4Å; I109-W200 HydrophobicContact CG2-CH2 3.78Å; I109-W200 HydrophobicContact CG2-CZ2 4.18Å; V133-W200 HydrophobicContact CG1-CH2 4.3Å; V133-W200 HydrophobicContact CG1-CZ3 4.37Å; V135-W200 HydrophobicContact CG2-CH2 4.23Å; V135-W200 HydrophobicContact CG2-CZ3 4.01Å; V158-W200 HydrophobicContact CG1-CE3 4.5Å; V158-W200 HydrophobicContact CG1-CZ3 4.5Å; V158-W200 HydrophobicContact CG2-CZ3 4.37Å; M185-W200 HydrophobicContact CE-CB 4.02Å; M185-W200 HydrophobicContact SD-CB 4.49Å; D196-W200 WeakPolarHBondContact O-CB 3.48Å; D196-W200 PolarHBondContact O-N 3.27Å; D196-W200 VanDerWaalsContact O-N 3.1Å; L197-W200 PolarHBondContact O-N 3.34Å; D198-W200 VanDerWaalsContact C-N 3.34Å; W200-K202 PolarHBondContact O-N 3.08Å; W200-A203 PolarHBondContact O-N 3.43Å; W200-L204 HydrophobicContact CH2-CD2 4.37Å; W200-L204 HydrophobicContact CZ2-CD2 3.81Å; W200-L204 WeakPolarHBondContact O-CB 3.47Å; W200-L204 PolarHBondContact O-N 3.13Å
201	H	98.6	Very high	97.2	Very high	28 Å²	28	51.1 Å²	51.1	13%	0.13	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-42.8	-177.7	-71.3	156.5	0	0	0	111.6	I52 T54 T57 L197 L204 T205	I52-H201 PolarHBondContact O-CE1 2.92Å; I52-H201 PolarHBondContact O-NE2 3.32Å; T54-H201 PolarHBondContact OG1-NE2 3.47Å; T57-H201 HydrophobicContact CG2-CB 4.15Å; L197-H201 WeakPolarHBondContact O-CB 3.33Å; L197-H201 PolarHBondContact O-N 2.86Å; H201-L204 PolarHBondContact O-N 3.06Å; H201-T205 WeakPolarHBondContact O-CG2 3.34Å; H201-T205 PolarHBondContact O-N 3.48Å; H201-T205 PolarHBondContact O-OG1 3.24Å; H201-T205 VanDerWaalsContact O-OG1 3.09Å
202	K	98.3	Very high	97.3	Very high	139 Å²	139	52.8 Å²	52.8	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-63.5	-44.7	177.7	-176.4	176.5	-178.9	178.5	0	112	D198 W200 L204 T205 N206	D198-K202 WeakPolarHBondContact O-CB 3.34Å; D198-K202 PolarHBondContact O-N 3.3Å; W200-K202 PolarHBondContact O-N 3.08Å; K202-L204 VanDerWaalsContact C-N 3.31Å; K202-L204 PolarHBondContact O-N 3.19Å; K202-T205 PolarHBondContact O-OG1 3.25Å; K202-N206 WeakPolarHBondContact O-CB 3.28Å; K202-N206 PolarHBondContact O-N 3.46Å; K202-N206 PolarHBondContact O-ND2 3.36Å; K202-N206 PolarHBondContact O-OD1 3.44Å
203	A	98.4	Very high	97.3	Very high	16 Å²	16	55.5 Å²	55.5	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-43.3	177.2	0	0	0	0	0	111.2	V183 T199 W200 F207	V183-A203 HydrophobicContact CG1-CB 4.14Å; V183-A203 HydrophobicContact CG2-CB 4.26Å; T199-A203 WeakPolarHBondContact O-CB 3.43Å; T199-A203 PolarHBondContact O-N 3.1Å; W200-A203 PolarHBondContact O-N 3.43Å; A203-F207 WeakPolarHBondContact O-CB 3.39Å; A203-F207 PolarHBondContact O-N 2.96Å; A203-F207 VanDerWaalsContact O-N 3.13Å
204	L	98.3	Very high	97.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-54.3	179.2	-178.7	61.1	0	0	0	111.8	T54 L58 I109 V133 W200 H201 K202 N206 F207 L208	T54-L204 HydrophobicContact CG2-CD2 4.12Å; L58-L204 HydrophobicContact CD1-CD2 4.49Å; L58-L204 HydrophobicContact CD2-CD2 3.88Å; L58-L204 HydrophobicContact CD2-CG 4.26Å; L58-L204 HydrophobicContact CG-CD2 4.34Å; I109-L204 HydrophobicContact CD1-CD1 3.71Å; I109-L204 HydrophobicContact CD1-CD2 3.78Å; I109-L204 HydrophobicContact CD1-CG 4.41Å; I109-L204 HydrophobicContact CG1-CD1 4.47Å; V133-L204 HydrophobicContact CG2-CD1 4.3Å; W200-L204 HydrophobicContact CH2-CD2 4.37Å; W200-L204 HydrophobicContact CZ2-CD2 3.81Å; W200-L204 WeakPolarHBondContact O-CB 3.47Å; W200-L204 PolarHBondContact O-N 3.13Å; H201-L204 PolarHBondContact O-N 3.06Å; K202-L204 VanDerWaalsContact C-N 3.31Å; K202-L204 PolarHBondContact O-N 3.19Å; L204-N206 PolarHBondContact O-N 3.25Å; L204-F207 PolarHBondContact O-N 3.41Å; L204-L208 HydrophobicContact CD1-CD1 4.39Å; L204-L208 HydrophobicContact CD1-CG 4.41Å; L204-L208 HydrophobicContact CG-CD1 4.3Å; L204-L208 WeakPolarHBondContact O-CG 3.34Å; L204-L208 PolarHBondContact O-N 3.26Å
205	T	97.9	Very high	97.4	Very high	27 Å²	27	58.6 Å²	58.6	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-42.2	-177.8	56.2	0	0	0	0	111.8	T57 A61 H201 K202 F207 L208 E209	T57-T205 HydrophobicContact CG2-CG2 3.8Å; A61-T205 HydrophobicContact CB-CG2 4.44Å; H201-T205 WeakPolarHBondContact O-CG2 3.34Å; H201-T205 PolarHBondContact O-N 3.48Å; H201-T205 PolarHBondContact O-OG1 3.24Å; H201-T205 VanDerWaalsContact O-OG1 3.09Å; K202-T205 PolarHBondContact O-OG1 3.25Å; T205-F207 PolarHBondContact O-N 3.16Å; T205-L208 PolarHBondContact O-N 2.65Å; T205-E209 WeakPolarHBondContact O-CG 3.45Å; T205-E209 PolarHBondContact O-N 3.34Å
206	N	98.3	Very high	97.5	Very high	70 Å²	70	56.6 Å²	56.6	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-34.4	176.9	-71.8	-6.2	0	0	0	112.1	K202 L204 T210	K202-N206 WeakPolarHBondContact O-CB 3.28Å; K202-N206 PolarHBondContact O-N 3.46Å; K202-N206 PolarHBondContact O-ND2 3.36Å; K202-N206 PolarHBondContact O-OD1 3.44Å; L204-N206 PolarHBondContact O-N 3.25Å; N206-T210 WeakPolarHBondContact O-CG2 3.18Å
207	F	98.6	Very high	97.5	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-44.5	175.8	174.4	-115.7	0	0	0	111.5	A131 V133 P154 L156 A203 L204 T205 E209 T210 L211	A131-F207 HydrophobicContact CB-CE1 3.76Å; A131-F207 HydrophobicContact CB-CZ 3.87Å; V133-F207 HydrophobicContact CG2-CD1 3.98Å; V133-F207 HydrophobicContact CG2-CE1 3.81Å; P154-F207 HydrophobicContact CB-CE2 4.49Å; P154-F207 HydrophobicContact CB-CZ 4.24Å; L156-F207 HydrophobicContact CB-CB 4.49Å; L156-F207 HydrophobicContact CB-CD1 3.73Å; L156-F207 HydrophobicContact CB-CD2 3.97Å; L156-F207 HydrophobicContact CB-CE1 3.82Å; L156-F207 HydrophobicContact CB-CE2 4.06Å; L156-F207 HydrophobicContact CB-CG 3.8Å; L156-F207 HydrophobicContact CB-CZ 3.98Å; L156-F207 HydrophobicContact CD2-CB 3.78Å; L156-F207 HydrophobicContact CD2-CD1 4.16Å; L156-F207 HydrophobicContact CD2-CG 4Å; L156-F207 HydrophobicContact CG-CG 4.32Å; A203-F207 WeakPolarHBondContact O-CB 3.39Å; A203-F207 PolarHBondContact O-N 2.96Å; A203-F207 VanDerWaalsContact O-N 3.13Å; L204-F207 PolarHBondContact O-N 3.41Å; T205-F207 PolarHBondContact O-N 3.16Å; F207-E209 VanDerWaalsContact C-N 3.25Å; F207-E209 PolarHBondContact O-N 3Å; F207-T210 PolarHBondContact O-N 3.2Å; F207-T210 PolarHBondContact O-OG1 3.48Å; F207-L211 HydrophobicContact CE1-CD1 4.35Å; F207-L211 HydrophobicContact CE2-CD2 4.35Å; F207-L211 HydrophobicContact CZ-CD2 4.14Å
208	L	97.8	Very high	97.6	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-33.6	178.1	-64.9	178.8	0	0	0	112.7	M34 L58 V107 L204 T205 T210 L211	M34-L208 HydrophobicContact SD-CB 4.25Å; M34-L208 HydrophobicContact SD-CD2 4.04Å; L58-L208 HydrophobicContact CD2-CD1 3.36Å; V107-L208 HydrophobicContact CB-CD2 4.37Å; V107-L208 HydrophobicContact CG1-CD2 3.95Å; V107-L208 HydrophobicContact CG2-CD2 3.98Å; L204-L208 HydrophobicContact CD1-CD1 4.39Å; L204-L208 HydrophobicContact CD1-CG 4.41Å; L204-L208 HydrophobicContact CG-CD1 4.3Å; L204-L208 WeakPolarHBondContact O-CG 3.34Å; L204-L208 PolarHBondContact O-N 3.26Å; T205-L208 PolarHBondContact O-N 2.65Å; L208-T210 PolarHBondContact O-N 3.46Å; L208-L211 HydrophobicContact CD2-CD1 3.85Å; L208-L211 PolarHBondContact O-N 2.84Å
209	E	96.9	Very high	97.7	Very high	152 Å²	152	50.2 Å²	50.2	71%	0.71	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.3	174.6	-74.2	174.8	178	0	0	113.9	T205 F207	T205-E209 WeakPolarHBondContact O-CG 3.45Å; T205-E209 PolarHBondContact O-N 3.34Å; F207-E209 VanDerWaalsContact C-N 3.25Å; F207-E209 PolarHBondContact O-N 3Å
210	T	96.9	Very high	97.7	Very high	88 Å²	88	49.8 Å²	49.8	54%	0.54	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.2	177.3	68.3	0	0	0	0	114.5	N206 F207 L208	N206-T210 WeakPolarHBondContact O-CG2 3.18Å; F207-T210 PolarHBondContact O-N 3.2Å; F207-T210 PolarHBondContact O-OG1 3.48Å; L208-T210 PolarHBondContact O-N 3.46Å
211	L	94.1	Very high	97.6	Very high	63 Å²	63	54.3 Å²	54.3	33%	0.33	28%	0.278	S	S	.	.			trans	-96	0	-175.8	-56.7	177.5	0	0	0	113.2	V107 R130 A131 P154 F207 L208	V107-L211 HydrophobicContact CG2-CD1 3.95Å; R130-L211 PolarHBondContact NH2-O 2.85Å; A131-L211 HydrophobicContact CB-CD1 3.44Å; A131-L211 VanDerWaalsContact CB-CD1 3.44Å; A131-L211 HydrophobicContact CB-CD2 3.84Å; A131-L211 HydrophobicContact CB-CG 4.3Å; P154-L211 HydrophobicContact CB-CD2 3.9Å; P154-L211 HydrophobicContact CG-CD2 4.18Å; F207-L211 HydrophobicContact CE1-CD1 4.35Å; F207-L211 HydrophobicContact CE2-CD2 4.35Å; F207-L211 HydrophobicContact CZ-CD2 4.14Å; L208-L211 HydrophobicContact CD2-CD1 3.85Å; L208-L211 PolarHBondContact O-N 2.84Å

Retrieved 211 of 211 residues in 59.8 ms (Link to these results)

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