A0A077Z800_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z800, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 aa.

						>A0A077Z800_TRITR|A0A077Z800
MPNRTINAQSRSNRIRGIIFLVSSKPNFEKKDEAAYGSQRRSVGRLRLLRTATGMKTLDFKVSRLPCSWRADGVVTWNTEELDKCTRQGDHFVLMIDLPKKRPPSRRCEPMNA
					

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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	30.9	Very low	27.5	Very low	233 Å²	233	151.3 Å²	151.3	100%	1.148	78%	0.778	S	S	*	*				0	125.5	0	-67.6	-170.4	174	0	0	107.8	N3	M1-N3 PolarHBondContact O-N 3.5Å
2	P	31.1	Very low	28.4	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	75%	0.748	S	S	*	*			trans	-70	130.4	-175.3	27.4	-30.6	0	0	0	110.3	R4	P2-R4 PolarHBondContact O-N 3.5Å
3	N	27.4	Very low	28.8	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	74%	0.741	S	S	*	*			trans	-51.2	99	172.8	-80.6	-15.4	0	0	0	110.2	M1 T5	M1-N3 PolarHBondContact O-N 3.5Å; N3-T5 PolarHBondContact O-N 3.2Å
4	R	23	Very low	29.3	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	73%	0.727	S	S	*	*			trans	-76.7	79.6	160.6	-90.5	-172.8	175.6	-178.7	0	107.6	P2 I6	P2-R4 PolarHBondContact O-N 3.5Å; R4-I6 PolarHBondContact O-N 3.47Å
5	T	23.7	Very low	30.2	Very low	108 Å²	108	138.7 Å²	138.7	66%	0.663	71%	0.709	S	S	*	*			trans	-59.1	107.8	158.1	-40.3	0	0	0	0	105.6	N3 N7	N3-T5 PolarHBondContact O-N 3.2Å; T5-N7 PolarHBondContact O-N 2.94Å
6	I	25.6	Very low	31.1	Very low	158 Å²	158	144.7 Å²	144.7	81%	0.81	72%	0.72	S	S	*	*			trans	-64.3	93.5	169.2	-59.3	174.1	0	0	0	104.5	R4 A8	R4-I6 PolarHBondContact O-N 3.47Å; I6-A8 PolarHBondContact O-N 3.48Å
7	N	23.3	Very low	32.3	Very low	114 Å²	114	136.9 Å²	136.9	61%	0.61	69%	0.686	S	S	*	*			trans	-61.1	89.5	172.4	-104.4	-35.3	0	0	0	106.4	T5 Q9	T5-N7 PolarHBondContact O-N 2.94Å; N7-Q9 HydrophobicContact CB-CB 4.46Å; N7-Q9 PolarHBondContact O-N 2.76Å
8	A	30.2	Very low	33.5	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	65%	0.653	S	S	*	*			trans	-68.2	28.4	162.3	0	0	0	0	0	111	I6 S10	I6-A8 PolarHBondContact O-N 3.48Å; A8-S10 PolarHBondContact O-N 3.39Å
9	Q	23.7	Very low	34.4	Very low	131 Å²	131	126.6 Å²	126.6	61%	0.612	63%	0.634	S	S	*	*			trans	-68.7	78.3	160	-74.2	-170.2	-5.3	0	0	107.2	N7 R11	N7-Q9 HydrophobicContact CB-CB 4.46Å; N7-Q9 PolarHBondContact O-N 2.76Å; Q9-R11 PolarHBondContact O-N 2.79Å
10	S	30.3	Very low	35.5	Very low	76 Å²	76	120.9 Å²	120.9	53%	0.531	61%	0.605	S	S	.	*			trans	-60.2	84.2	165	-178.2	0	0	0	0	108.3	A8 S12	A8-S10 PolarHBondContact O-N 3.39Å; S10-S12 PolarHBondContact O-N 2.97Å; S10-S12 VanDerWaalsContact O-N 3.13Å; S10-S12 PolarHBondContact OG-O 3.35Å
11	R	33.3	Very low	36.2	Very low	234 Å²	234	117 Å²	117	88%	0.883	59%	0.586	S	S	*	*			trans	-69.2	9.8	165.2	-79.8	-168.4	175	-166.9	-1.2	112.3	Q9	Q9-R11 PolarHBondContact O-N 2.79Å
12	S	38.5	Very low	37.3	Very low	61 Å²	61	106.3 Å²	106.3	43%	0.427	53%	0.534	S	S	.	.	S	Bend	trans	-141.1	88.9	-171.5	162.7	0	0	0	0	108.8	S10 R14	S10-S12 PolarHBondContact O-N 2.97Å; S10-S12 VanDerWaalsContact O-N 3.13Å; S10-S12 PolarHBondContact OG-O 3.35Å; S12-R14 WeakPolarHBondContact O-CB 3.44Å; S12-R14 VanDerWaalsContact O-CG 3.24Å; S12-R14 WeakPolarHBondContact O-CG 3.29Å; S12-R14 PolarHBondContact O-N 2.98Å
13	N	34.3	Very low	38.1	Very low	122 Å²	122	101 Å²	101	65%	0.652	50%	0.5	S	S	*	.			trans	32.9	35	142.2	-86.6	-35.5	0	0	0	119.1	K100	N13-K100 HydrophobicContact CB-CD 4.23Å; N13-K100 WeakPolarHBondContact O-CB 3.35Å; N13-K100 WeakPolarHBondContact O-CD 3.43Å; N13-K100 PolarHBondContact OD1-NZ 3.38Å
14	R	34.6	Very low	39.2	Very low	143 Å²	143	95.9 Å²	95.9	54%	0.54	48%	0.476	S	S	.	.			trans	-116.6	121.5	-178.4	-73.2	176.5	-166	-170.7	4.3	107.8	S12 D97	S12-R14 WeakPolarHBondContact O-CB 3.44Å; S12-R14 VanDerWaalsContact O-CG 3.24Å; S12-R14 WeakPolarHBondContact O-CG 3.29Å; S12-R14 PolarHBondContact O-N 2.98Å; R14-D97 VanDerWaalsContact CD-OD2 3.28Å; R14-D97 WeakPolarHBondContact CD-OD2 3.36Å; R14-D97 IonicContact CZ-OD2 2.85Å; R14-D97 IonicContact NE-OD2 2.81Å; R14-D97 IonicContact NH1-OD2 3.71Å; R14-D97 PolarHBondContact NH1-OD2 3.12Å
15	I	42.9	Very low	40.3	Very low	90 Å²	90	88.6 Å²	88.6	46%	0.462	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138	175.4	-66.8	173.9	0	0	0	107.8	G17 K100	I15-G17 PolarHBondContact O-N 3.3Å; I15-K100 HydrophobicContact CD1-CB 4.46Å; I15-K100 HydrophobicContact CD1-CG 3.91Å; I15-K100 HydrophobicContact CG1-CB 4.35Å; I15-K100 HydrophobicContact CG1-CG 4.03Å
16	R	45.6	Very low	41.4	Very low	235 Å²	235	89.6 Å²	89.6	89%	0.887	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-10	103.6	170	-65	179.6	-178.5	176.3	-0.2	113
17	G	50.5	Low	42.3	Very low	13 Å²	13	87.6 Å²	87.6	13%	0.134	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	155.7	175.5	0	0	0	0	0	112.5	I15 I19 I96	I15-G17 PolarHBondContact O-N 3.3Å; G17-I19 PolarHBondContact O-N 3.01Å; G17-I96 CarbonylContact C-O 3.37Å; G17-I96 WeakPolarHBondContact CA-O 3.17Å
18	I	53.6	Low	43.4	Very low	18 Å²	18	86.7 Å²	86.7	9%	0.092	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.8	171	-59.2	173.1	0	0	0	107.3	F20 V43 V62 L65 M95 I96 L98	I18-F20 HydrophobicContact CB-CE2 4.33Å; I18-F20 HydrophobicContact CG2-CD1 4.43Å; I18-F20 HydrophobicContact CG2-CD2 3.92Å; I18-F20 HydrophobicContact CG2-CE1 4.2Å; I18-F20 HydrophobicContact CG2-CE2 3.6Å; I18-F20 HydrophobicContact CG2-CG 4.36Å; I18-F20 HydrophobicContact CG2-CZ 3.79Å; I18-V43 HydrophobicContact CD1-CG2 4.29Å; I18-V43 HydrophobicContact CG2-CG2 3.51Å; I18-V62 HydrophobicContact CD1-CB 4.17Å; I18-V62 HydrophobicContact CD1-CG1 3.53Å; I18-V62 HydrophobicContact CD1-CG2 3.51Å; I18-L65 HydrophobicContact CD1-CD1 3.82Å; I18-M95 CarbonylContact O-C 3.45Å; I18-M95 WeakPolarHBondContact O-CA 2.94Å; I18-I96 PolarHBondContact N-O 2.86Å; I18-I96 PolarHBondContact O-N 3.16Å; I18-L98 HydrophobicContact CD1-CD1 3.97Å; I18-L98 HydrophobicContact CD1-CD2 4.16Å; I18-L98 HydrophobicContact CD1-CG 4.32Å; I18-L98 HydrophobicContact CG1-CD1 3.89Å; I18-L98 HydrophobicContact CG1-CG 4.26Å
19	I	51.1	Low	44	Very low	59 Å²	59	87.5 Å²	87.5	30%	0.303	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.2	173.9	-68.3	159.1	0	0	0	108.5	G17 R40 V93 L94 M95	G17-I19 PolarHBondContact O-N 3.01Å; I19-R40 VanDerWaalsContact CG2-NH1 3.33Å; I19-R40 PolarHBondContact O-NH1 3.35Å; I19-V93 HydrophobicContact CB-CG1 4.43Å; I19-V93 HydrophobicContact CG1-CG1 4.26Å; I19-V93 HydrophobicContact CG2-CB 4.38Å; I19-V93 HydrophobicContact CG2-CG1 3.52Å; I19-V93 HydrophobicContact CG2-CG2 4.18Å; I19-L94 CarbonylContact C-O 3.56Å; I19-L94 WeakPolarHBondContact CA-O 2.91Å; I19-M95 HydrophobicContact CG1-CG 3.61Å; I19-M95 HydrophobicContact CG1-SD 4.28Å
20	F	56.4	Low	45.1	Very low	13 Å²	13	89.9 Å²	89.9	6%	0.057	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.9	167.7	-74.8	-63.7	0	0	0	109	I18 V22 L46 F60 V62 V93 L94 I96	I18-F20 HydrophobicContact CB-CE2 4.33Å; I18-F20 HydrophobicContact CG2-CD1 4.43Å; I18-F20 HydrophobicContact CG2-CD2 3.92Å; I18-F20 HydrophobicContact CG2-CE1 4.2Å; I18-F20 HydrophobicContact CG2-CE2 3.6Å; I18-F20 HydrophobicContact CG2-CG 4.36Å; I18-F20 HydrophobicContact CG2-CZ 3.79Å; F20-V22 HydrophobicContact CB-CG2 4.45Å; F20-L46 HydrophobicContact CB-CD1 3.64Å; F20-L46 HydrophobicContact CB-CD2 3.71Å; F20-L46 HydrophobicContact CB-CG 4.17Å; F20-L46 HydrophobicContact CD1-CD1 3.44Å; F20-L46 VanDerWaalsContact CD1-CD1 3.44Å; F20-L46 HydrophobicContact CD1-CD2 3.48Å; F20-L46 VanDerWaalsContact CD1-CD2 3.48Å; F20-L46 HydrophobicContact CD1-CG 3.45Å; F20-L46 VanDerWaalsContact CD1-CG 3.45Å; F20-L46 HydrophobicContact CD2-CD2 3.9Å; F20-L46 HydrophobicContact CE1-CD1 4.31Å; F20-L46 HydrophobicContact CE1-CD2 3.91Å; F20-L46 HydrophobicContact CE1-CG 3.89Å; F20-L46 HydrophobicContact CE2-CD2 4.32Å; F20-L46 HydrophobicContact CG-CD1 3.82Å; F20-L46 HydrophobicContact CG-CD2 3.41Å; F20-L46 VanDerWaalsContact CG-CD2 3.41Å; F20-L46 HydrophobicContact CG-CG 3.9Å; F20-L46 HydrophobicContact CZ-CD2 4.3Å; F20-F60 HydrophobicContact CE2-CB 4.26Å; F20-F60 HydrophobicContact CE2-CD2 4.13Å; F20-F60 HydrophobicContact CE2-CG 4.33Å; F20-F60 HydrophobicContact CZ-CB 4.39Å; F20-V62 HydrophobicContact CE2-CG2 4.17Å; F20-V62 HydrophobicContact CZ-CG2 3.87Å; F20-V93 WeakPolarHBondContact O-CA 3.42Å; F20-L94 HydrophobicContact CB-CB 4.12Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 PolarHBondContact N-O 2.66Å; F20-L94 PolarHBondContact O-N 2.86Å; F20-I96 HydrophobicContact CD2-CD1 3.87Å; F20-I96 HydrophobicContact CD2-CG1 4.16Å; F20-I96 HydrophobicContact CE2-CD1 3.62Å; F20-I96 HydrophobicContact CE2-CG1 4.26Å
21	L	49.9	Very low	45.9	Very low	39 Å²	39	94 Å²	94	20%	0.204	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.6	167.2	-83.9	142.3	0	0	0	107.2	Y36 H91 V93	L21-Y36 HydrophobicContact CD1-CD1 3.67Å; L21-Y36 HydrophobicContact CD1-CD2 4.26Å; L21-Y36 HydrophobicContact CD1-CE1 4.5Å; L21-Y36 HydrophobicContact CD1-CG 3.57Å; L21-Y36 HydrophobicContact CD2-CD1 3.78Å; L21-Y36 HydrophobicContact CD2-CE1 3.79Å; L21-Y36 HydrophobicContact CD2-CG 4.28Å; L21-Y36 HydrophobicContact CG-CD1 4.36Å; L21-Y36 HydrophobicContact CG-CG 4.47Å; L21-H91 HydrophobicContact CD2-CB 4.33Å; L21-V93 HydrophobicContact CD2-CG2 4.05Å; L21-V93 HydrophobicContact CG-CG2 4.38Å
22	V	54.1	Low	46.5	Very low	8 Å²	8	84 Å²	84	5%	0.048	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.9	179.7	-171.6	0	0	0	0	106.9	F20 L46 L58 H91 F92 L94	F20-V22 HydrophobicContact CB-CG2 4.45Å; V22-L46 HydrophobicContact CG2-CD1 4.16Å; V22-L58 HydrophobicContact CB-CD1 4.2Å; V22-L58 HydrophobicContact CG1-CD1 3.6Å; V22-L58 HydrophobicContact CG2-CD1 3.5Å; V22-L58 VanDerWaalsContact CG2-CD1 3.5Å; V22-H91 WeakPolarHBondContact O-CA 3.34Å; V22-F92 HydrophobicContact CB-CD1 3.92Å; V22-F92 HydrophobicContact CB-CD2 4.05Å; V22-F92 HydrophobicContact CB-CE1 3.39Å; V22-F92 HydrophobicContact CB-CE2 3.56Å; V22-F92 HydrophobicContact CB-CG 4.23Å; V22-F92 HydrophobicContact CB-CZ 3.21Å; V22-F92 HydrophobicContact CG1-CD1 4.32Å; V22-F92 HydrophobicContact CG1-CE1 3.37Å; V22-F92 HydrophobicContact CG1-CE2 4.06Å; V22-F92 HydrophobicContact CG1-CZ 3.22Å; V22-F92 HydrophobicContact CG2-CD2 4.24Å; V22-F92 HydrophobicContact CG2-CE1 4.35Å; V22-F92 HydrophobicContact CG2-CE2 3.6Å; V22-F92 HydrophobicContact CG2-CZ 3.69Å; V22-F92 PolarHBondContact N-O 2.91Å; V22-F92 WeakPolarHBondContact O-CD1 2.94Å; V22-F92 PolarHBondContact O-N 3.13Å; V22-L94 HydrophobicContact CG2-CB 4.45Å
23	S	49.2	Very low	46.6	Very low	15 Å²	15	86.3 Å²	86.3	11%	0.105	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.1	174.9	-172.5	0	0	0	0	110.1	K25 D90 H91	S23-K25 WeakPolarHBondContact OG-CB 3.46Å; S23-K25 PolarHBondContact OG-N 2.99Å; S23-K25 VanDerWaalsContact OG-N 3.09Å; S23-D90 CarbonylContact C-O 3.29Å; S23-D90 VanDerWaalsContact CA-O 3.32Å; S23-D90 WeakPolarHBondContact CA-O 3.12Å; S23-H91 PolarHBondContact OG-CE1 3.35Å; S23-H91 PolarHBondContact OG-ND1 3.23Å
24	S	48.7	Very low	46.9	Very low	47 Å²	47	84 Å²	84	33%	0.329	41%	0.412	S	S	.	.	S	Bend	trans	-71.4	-19.5	165.4	63.9	0	0	0	0	111.6	D90	S24-D90 PolarHBondContact N-O 3.34Å; S24-D90 PolarHBondContact OG-O 3.3Å; S24-D90 PolarHBondContact OG-OD1 3.16Å
25	K	47	Very low	47.3	Very low	85 Å²	85	81.1 Å²	81.1	37%	0.37	42%	0.419	S	S	.	.	S	Bend	trans	-66.6	128.4	177.1	-60	-176.4	-175.6	173.1	0	109.4	S23 N27 D90	S23-K25 WeakPolarHBondContact OG-CB 3.46Å; S23-K25 PolarHBondContact OG-N 2.99Å; S23-K25 VanDerWaalsContact OG-N 3.09Å; K25-N27 PolarHBondContact O-N 3.46Å; K25-D90 WeakPolarHBondContact CE-OD2 3.32Å; K25-D90 HydrophobicContact CG-CB 4.12Å; K25-D90 IonicContact NZ-OD2 2.77Å
26	P	47.3	Very low	47.5	Very low	129 Å²	129	80.7 Å²	80.7	84%	0.838	41%	0.412	S	S	*	.	S	Bend	trans	-61.8	-28.6	177.3	24.6	-32.6	0	0	0	112
27	N	44.8	Very low	46.9	Very low	117 Å²	117	71.3 Å²	71.3	63%	0.626	39%	0.389	S	S	*	.	S	Bend	trans	-108.4	97.4	175.7	-64.9	-18.9	0	0	0	108.8	K25 E29	K25-N27 PolarHBondContact O-N 3.46Å; N27-E29 PolarHBondContact O-N 2.98Å
28	F	46.3	Very low	46.3	Very low	94 Å²	94	76.5 Å²	76.5	41%	0.412	42%	0.423	S	S	.	.			trans	-74.1	102.5	164.1	-166.5	-98.8	0	0	0	107.2	D32 E33 Y36	F28-D32 HydrophobicContact CD1-CB 4.49Å; F28-D32 HydrophobicContact CD2-CB 4.08Å; F28-D32 HydrophobicContact CE1-CB 4.23Å; F28-D32 HydrophobicContact CE2-CB 3.8Å; F28-D32 HydrophobicContact CG-CB 4.44Å; F28-D32 HydrophobicContact CZ-CB 3.88Å; F28-E33 HydrophobicContact CE1-CB 4.08Å; F28-Y36 HydrophobicContact CE2-CD2 4.38Å; F28-Y36 HydrophobicContact CE2-CE2 4.26Å; F28-Y36 AromaticContact CZ-CD2 3.99Å; F28-Y36 HydrophobicContact CZ-CD2 3.99Å; F28-Y36 HydrophobicContact CZ-CE2 4.31Å
29	E	42.6	Very low	45.5	Very low	109 Å²	109	84.5 Å²	84.5	51%	0.509	46%	0.46	S	S	.	.			trans	-81.5	151.5	-177.3	-66.6	-169.5	174	0	0	110.2	N27 K31 D32 E33	N27-E29 PolarHBondContact O-N 2.98Å; E29-K31 PolarHBondContact O-N 3.37Å; E29-D32 PolarHBondContact N-OD2 3.18Å; E29-D32 WeakPolarHBondContact O-CA 3.26Å; E29-D32 VanDerWaalsContact O-CB 3.25Å; E29-D32 WeakPolarHBondContact O-CB 3.36Å; E29-D32 PolarHBondContact O-N 3.3Å; E29-E33 PolarHBondContact O-N 2.9Å
30	K	47.1	Very low	44.9	Very low	180 Å²	180	87.7 Å²	87.7	78%	0.783	47%	0.468	S	S	*	.	H	α-helix	trans	-52.6	-24.7	173.6	-77.6	-176.4	177	178.9	0	113.3	D32 E33 A34	K30-D32 VanDerWaalsContact C-N 3.35Å; K30-E33 WeakPolarHBondContact O-CB 3.38Å; K30-E33 PolarHBondContact O-N 2.85Å; K30-A34 PolarHBondContact O-N 2.93Å; K30-A34 VanDerWaalsContact O-N 3.13Å
31	K	46.5	Very low	44.1	Very low	163 Å²	163	97.2 Å²	97.2	71%	0.709	50%	0.504	S	S	*	.	H	α-helix	trans	-65.8	-38.1	174.3	-67.7	-179	179.2	174.9	0	111.9	E29 E33 A34 A35	E29-K31 PolarHBondContact O-N 3.37Å; K31-E33 VanDerWaalsContact C-N 3.33Å; K31-A34 PolarHBondContact O-N 3.44Å; K31-A35 PolarHBondContact O-N 3.15Å
32	D	44.8	Very low	43.9	Very low	25 Å²	25	98.7 Å²	98.7	13%	0.134	52%	0.517	C	S	.	.	H	α-helix	trans	-62.4	-45.2	172.2	-59	-44.7	0	0	0	109	F28 E29 K30 A34 A35 Y36	F28-D32 HydrophobicContact CD1-CB 4.49Å; F28-D32 HydrophobicContact CD2-CB 4.08Å; F28-D32 HydrophobicContact CE1-CB 4.23Å; F28-D32 HydrophobicContact CE2-CB 3.8Å; F28-D32 HydrophobicContact CG-CB 4.44Å; F28-D32 HydrophobicContact CZ-CB 3.88Å; E29-D32 PolarHBondContact N-OD2 3.18Å; E29-D32 WeakPolarHBondContact O-CA 3.26Å; E29-D32 VanDerWaalsContact O-CB 3.25Å; E29-D32 WeakPolarHBondContact O-CB 3.36Å; E29-D32 PolarHBondContact O-N 3.3Å; K30-D32 VanDerWaalsContact C-N 3.35Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 2.8Å; D32-A35 WeakPolarHBondContact O-CB 3.42Å; D32-A35 PolarHBondContact O-N 2.81Å; D32-A35 VanDerWaalsContact O-N 3.11Å; D32-Y36 HydrophobicContact CB-CE2 4.1Å; D32-Y36 WeakPolarHBondContact O-CD2 3.44Å; D32-Y36 WeakPolarHBondContact O-CE2 3.5Å; D32-Y36 PolarHBondContact O-N 2.95Å
33	E	41.2	Very low	43.5	Very low	109 Å²	109	100.4 Å²	100.4	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-55.5	-39.5	177.5	-165.3	176.5	-171.2	0	0	113.3	F28 E29 K30 K31 Y36	F28-E33 HydrophobicContact CE1-CB 4.08Å; E29-E33 PolarHBondContact O-N 2.9Å; K30-E33 WeakPolarHBondContact O-CB 3.38Å; K30-E33 PolarHBondContact O-N 2.85Å; K31-E33 VanDerWaalsContact C-N 3.33Å; E33-Y36 PolarHBondContact O-N 2.74Å
34	A	41.6	Very low	43.5	Very low	74 Å²	74	100 Å²	100	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-66.9	-39.4	177.6	0	0	0	0	0	113	K30 K31 D32 Y36 G37	K30-A34 PolarHBondContact O-N 2.93Å; K30-A34 VanDerWaalsContact O-N 3.13Å; K31-A34 PolarHBondContact O-N 3.44Å; D32-A34 VanDerWaalsContact C-N 3.29Å; D32-A34 PolarHBondContact O-N 2.8Å; A34-Y36 PolarHBondContact O-N 3.28Å; A34-G37 PolarHBondContact O-N 2.94Å
35	A	41.7	Very low	43.6	Very low	81 Å²	81	107.8 Å²	107.8	67%	0.669	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-27.4	177.2	0	0	0	0	0	112.3	K31 D32	K31-A35 PolarHBondContact O-N 3.15Å; D32-A35 WeakPolarHBondContact O-CB 3.42Å; D32-A35 PolarHBondContact O-N 2.81Å; D32-A35 VanDerWaalsContact O-N 3.11Å
36	Y	47.2	Very low	43.8	Very low	81 Å²	81	106.5 Å²	106.5	32%	0.318	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.2	-177.7	-61.1	-60	0	0	0	114.9	L21 F28 D32 E33 A34 H91	L21-Y36 HydrophobicContact CD1-CD1 3.67Å; L21-Y36 HydrophobicContact CD1-CD2 4.26Å; L21-Y36 HydrophobicContact CD1-CE1 4.5Å; L21-Y36 HydrophobicContact CD1-CG 3.57Å; L21-Y36 HydrophobicContact CD2-CD1 3.78Å; L21-Y36 HydrophobicContact CD2-CE1 3.79Å; L21-Y36 HydrophobicContact CD2-CG 4.28Å; L21-Y36 HydrophobicContact CG-CD1 4.36Å; L21-Y36 HydrophobicContact CG-CG 4.47Å; F28-Y36 HydrophobicContact CE2-CD2 4.38Å; F28-Y36 HydrophobicContact CE2-CE2 4.26Å; F28-Y36 AromaticContact CZ-CD2 3.99Å; F28-Y36 HydrophobicContact CZ-CD2 3.99Å; F28-Y36 HydrophobicContact CZ-CE2 4.31Å; D32-Y36 HydrophobicContact CB-CE2 4.1Å; D32-Y36 WeakPolarHBondContact O-CD2 3.44Å; D32-Y36 WeakPolarHBondContact O-CE2 3.5Å; D32-Y36 PolarHBondContact O-N 2.95Å; E33-Y36 PolarHBondContact O-N 2.74Å; A34-Y36 PolarHBondContact O-N 3.28Å; Y36-H91 AromaticContact CZ-CD2 3.94Å; Y36-H91 AromaticContact CZ-CG 3.94Å; Y36-H91 PolarHBondContact OH-CD2 3.32Å; Y36-H91 PolarHBondContact OH-CE1 2.88Å; Y36-H91 PolarHBondContact OH-NE2 3.31Å
37	G	34	Very low	44	Very low	39 Å²	39	108.5 Å²	108.5	40%	0.402	54%	0.536	S	S	.	.			trans	91.3	118.1	171.7	0	0	0	0	0	113.3	A34 Q39	A34-G37 PolarHBondContact O-N 2.94Å; G37-Q39 PolarHBondContact O-N 2.7Å
38	S	37.7	Very low	44.5	Very low	122 Å²	122	106 Å²	106	85%	0.853	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-0.8	179.7	61.2	0	0	0	0	116
39	Q	35.8	Very low	44.8	Very low	185 Å²	185	104.6 Å²	104.6	86%	0.864	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.3	-177.9	-79.5	-170.5	-12.3	0	0	114.8	G37 R41	G37-Q39 PolarHBondContact O-N 2.7Å; Q39-R41 PolarHBondContact O-N 3.28Å
40	R	38.9	Very low	45.3	Very low	127 Å²	127	110.8 Å²	110.8	48%	0.479	54%	0.537	S	S	.	.			trans	-95.2	93.6	178.4	-72.4	-173.3	171.6	176.8	2.1	110.9	I19 S42	I19-R40 VanDerWaalsContact CG2-NH1 3.33Å; I19-R40 PolarHBondContact O-NH1 3.35Å; R40-S42 VanDerWaalsContact C-N 3.31Å; R40-S42 PolarHBondContact O-N 2.91Å
41	R	39.9	Very low	45.4	Very low	213 Å²	213	104.8 Å²	104.8	80%	0.804	52%	0.516	S	S	*	.			trans	-53.2	103.5	153.6	-66.1	-178.6	-174.7	-173.8	1.4	106	Q39 V43	Q39-R41 PolarHBondContact O-N 3.28Å; R41-V43 WeakPolarHBondContact O-CG1 3.42Å; R41-V43 PolarHBondContact O-N 3.05Å
42	S	45.7	Very low	45.6	Very low	70 Å²	70	101.1 Å²	101.1	49%	0.49	52%	0.516	S	S	.	.			trans	-46.4	112.8	177.9	176	0	0	0	0	109.2	R40 G44 R64	R40-S42 VanDerWaalsContact C-N 3.31Å; R40-S42 PolarHBondContact O-N 2.91Å; S42-G44 PolarHBondContact OG-O 3.45Å; S42-R64 VanDerWaalsContact O-CD 3.25Å; S42-R64 WeakPolarHBondContact O-CD 3.04Å
43	V	46.3	Very low	46.2	Very low	44 Å²	44	107.1 Å²	107.1	27%	0.267	55%	0.553	S	S	.	*			trans	-82.1	-8.3	-175.4	-70.1	0	0	0	0	111.8	I18 R41 V62 S63 R64	I18-V43 HydrophobicContact CD1-CG2 4.29Å; I18-V43 HydrophobicContact CG2-CG2 3.51Å; R41-V43 WeakPolarHBondContact O-CG1 3.42Å; R41-V43 PolarHBondContact O-N 3.05Å; V43-V62 HydrophobicContact CB-CG1 4.4Å; V43-V62 CarbonylContact O-C 3.34Å; V43-V62 WeakPolarHBondContact O-CA 3.27Å; V43-S63 PolarHBondContact O-N 2.98Å; V43-R64 PolarHBondContact O-N 2.75Å
44	G	49	Very low	47	Very low	7 Å²	7	103.8 Å²	103.8	7%	0.072	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	174.9	-173.3	0	0	0	0	0	115	S42 K61	S42-G44 PolarHBondContact OG-O 3.45Å; G44-K61 CarbonylContact C-O 3.59Å; G44-K61 WeakPolarHBondContact CA-O 3.4Å
45	R	50.3	Low	47.6	Very low	209 Å²	209	104.9 Å²	104.9	79%	0.789	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.6	172.1	-70.8	-177.5	179.6	170.5	-0.3	109.5	F60 K61	R45-F60 CarbonylContact O-C 3.59Å; R45-F60 VanDerWaalsContact O-CA 3.24Å; R45-F60 WeakPolarHBondContact O-CA 2.87Å; R45-K61 PolarHBondContact N-O 2.91Å; R45-K61 PolarHBondContact O-N 3Å
46	L	51.9	Low	48.4	Very low	59 Å²	59	102.6 Å²	102.6	31%	0.309	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.9	170.7	-65.8	162.4	0	0	0	107.5	F20 V22 L58 D59 F60	F20-L46 HydrophobicContact CB-CD1 3.64Å; F20-L46 HydrophobicContact CB-CD2 3.71Å; F20-L46 HydrophobicContact CB-CG 4.17Å; F20-L46 HydrophobicContact CD1-CD1 3.44Å; F20-L46 VanDerWaalsContact CD1-CD1 3.44Å; F20-L46 HydrophobicContact CD1-CD2 3.48Å; F20-L46 VanDerWaalsContact CD1-CD2 3.48Å; F20-L46 HydrophobicContact CD1-CG 3.45Å; F20-L46 VanDerWaalsContact CD1-CG 3.45Å; F20-L46 HydrophobicContact CD2-CD2 3.9Å; F20-L46 HydrophobicContact CE1-CD1 4.31Å; F20-L46 HydrophobicContact CE1-CD2 3.91Å; F20-L46 HydrophobicContact CE1-CG 3.89Å; F20-L46 HydrophobicContact CE2-CD2 4.32Å; F20-L46 HydrophobicContact CG-CD1 3.82Å; F20-L46 HydrophobicContact CG-CD2 3.41Å; F20-L46 VanDerWaalsContact CG-CD2 3.41Å; F20-L46 HydrophobicContact CG-CG 3.9Å; F20-L46 HydrophobicContact CZ-CD2 4.3Å; V22-L46 HydrophobicContact CG2-CD1 4.16Å; L46-L58 HydrophobicContact CB-CD1 4.26Å; L46-L58 HydrophobicContact CD2-CD1 3.91Å; L46-L58 HydrophobicContact CD2-CD2 3.59Å; L46-L58 HydrophobicContact CD2-CG 4.08Å; L46-D59 CarbonylContact C-O 3.53Å; L46-D59 WeakPolarHBondContact CA-O 3.32Å; L46-F60 HydrophobicContact CD2-CB 3.7Å
47	R	51	Low	48.9	Very low	170 Å²	170	99.2 Å²	99.2	64%	0.642	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	113.9	172.4	-169.4	175.3	-176.2	173.6	1.4	109.2	L49 L58 D59	R47-L49 HydrophobicContact CG-CD2 3.93Å; R47-L49 HydrophobicContact CG-CG 4.43Å; R47-L49 PolarHBondContact O-N 3.2Å; R47-L58 WeakPolarHBondContact O-CA 3.35Å; R47-D59 HydrophobicContact CB-CB 4.48Å; R47-D59 PolarHBondContact N-O 2.85Å; R47-D59 PolarHBondContact O-N 3.03Å
48	L	55.5	Low	50.1	Low	65 Å²	65	97.4 Å²	97.4	34%	0.34	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.4	169.2	-167.7	74.7	0	0	0	108.4	K56 T57 W77	L48-K56 HydrophobicContact CD1-CB 4.14Å; L48-T57 CarbonylContact C-O 3.56Å; L48-W77 HydrophobicContact CD1-CZ2 3.96Å
49	L	51.5	Low	50.9	Low	65 Å²	65	94.6 Å²	94.6	34%	0.34	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.3	170.7	-59.3	174.8	0	0	0	108	R47 T51 T57 D59	R47-L49 HydrophobicContact CG-CD2 3.93Å; R47-L49 HydrophobicContact CG-CG 4.43Å; R47-L49 PolarHBondContact O-N 3.2Å; L49-T51 PolarHBondContact O-N 2.82Å; L49-T57 WeakPolarHBondContact CA-O 3.48Å; L49-T57 PolarHBondContact N-O 2.98Å; L49-T57 PolarHBondContact O-N 2.97Å; L49-T57 VanDerWaalsContact O-O 3.14Å; L49-D59 HydrophobicContact CD1-CB 4.28Å
50	R	53.3	Low	52	Low	238 Å²	238	86.6 Å²	86.6	90%	0.898	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	114.3	163.5	-72.4	-175.6	179.8	-174.6	-0.5	107
51	T	49.8	Very low	52.9	Low	55 Å²	55	84.1 Å²	84.1	34%	0.337	42%	0.417	S	S	.	.			trans	-95.4	168.8	171.6	33.3	0	0	0	0	109.9	L49 T53 M55 T57	L49-T51 PolarHBondContact O-N 2.82Å; T51-T53 PolarHBondContact O-N 2.88Å; T51-M55 PolarHBondContact N-O 2.9Å; T51-M55 WeakPolarHBondContact OG1-CB 3.47Å; T51-M55 PolarHBondContact OG1-O 2.82Å; T51-T57 WeakPolarHBondContact CG2-OG1 3.47Å; T51-T57 PolarHBondContact OG1-OG1 3.5Å; T51-T57 VanDerWaalsContact OG1-OG1 3.12Å
52	A	49.7	Very low	54	Low	85 Å²	85	74 Å²	74	70%	0.702	38%	0.378	S	S	*	.	S	Bend	trans	-51.1	141.5	-179.6	0	0	0	0	0	111.2	G54	A52-G54 PolarHBondContact O-N 3.23Å
53	T	57.2	Low	54.5	Low	151 Å²	151	73 Å²	73	93%	0.926	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-7.3	111	-171.6	39.3	0	0	0	0	116.6	T51	T51-T53 PolarHBondContact O-N 2.88Å
54	G	58.8	Low	54.7	Low	39 Å²	39	79 Å²	79	40%	0.402	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	-12.6	166.1	0	0	0	0	0	115.2	A52 N78 T79	A52-G54 PolarHBondContact O-N 3.23Å; G54-N78 PolarHBondContact O-OD1 3.29Å; G54-T79 VanDerWaalsContact O-CB 3.29Å; G54-T79 WeakPolarHBondContact O-CB 3.5Å; G54-T79 PolarHBondContact O-N 3.11Å; G54-T79 PolarHBondContact O-OG1 3.09Å
55	M	55.1	Low	55.1	Low	98 Å²	98	80.5 Å²	80.5	48%	0.483	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.2	177.2	-64.2	-162	-59.9	0	0	112.4	T51 T76 W77	T51-M55 PolarHBondContact N-O 2.9Å; T51-M55 WeakPolarHBondContact OG1-CB 3.47Å; T51-M55 PolarHBondContact OG1-O 2.82Å; M55-T76 HydrophobicContact CB-CG2 3.74Å; M55-T76 HydrophobicContact CE-CG2 4.27Å; M55-T76 HydrophobicContact CG-CG2 4.14Å; M55-T76 HydrophobicContact SD-CG2 3.65Å; M55-W77 WeakPolarHBondContact CA-O 3.44Å
56	K	58.5	Low	55.4	Low	32 Å²	32	74.2 Å²	74.2	14%	0.139	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.1	168.3	-80.3	172.8	-178.2	169.3	0	106.6	L48 T76 W77 T79 L82 D83	L48-K56 HydrophobicContact CD1-CB 4.14Å; K56-T76 WeakPolarHBondContact O-CA 2.84Å; K56-W77 VanDerWaalsContact CB-CD1 3.43Å; K56-W77 PolarHBondContact N-O 2.86Å; K56-W77 VanDerWaalsContact O-CD1 3.3Å; K56-W77 PolarHBondContact O-N 3.36Å; K56-W77 PolarHBondContact O-NE1 3.27Å; K56-T79 HydrophobicContact CD-CG2 4.12Å; K56-L82 HydrophobicContact CD-CD2 3.5Å; K56-L82 VanDerWaalsContact CD-CD2 3.5Å; K56-D83 IonicContact NZ-OD1 3.72Å; K56-D83 PolarHBondContact NZ-OD1 3.13Å
57	T	57.3	Low	55.6	Low	11 Å²	11	73.6 Å²	73.6	7%	0.067	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.9	-179.9	-66.2	0	0	0	0	108.4	L48 L49 T51 V74 V75 T76	L48-T57 CarbonylContact C-O 3.56Å; L49-T57 WeakPolarHBondContact CA-O 3.48Å; L49-T57 PolarHBondContact N-O 2.98Å; L49-T57 PolarHBondContact O-N 2.97Å; L49-T57 VanDerWaalsContact O-O 3.14Å; T51-T57 WeakPolarHBondContact CG2-OG1 3.47Å; T51-T57 PolarHBondContact OG1-OG1 3.5Å; T51-T57 VanDerWaalsContact OG1-OG1 3.12Å; T57-V74 HydrophobicContact CG2-CG1 3.12Å; T57-V75 CarbonylContact C-O 3.55Å; T57-V75 WeakPolarHBondContact CA-O 3.49Å; T57-T76 WeakPolarHBondContact OG1-CG2 3.25Å; T57-T76 PolarHBondContact OG1-OG1 2.81Å
58	L	59.6	Low	55.6	Low	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.9	173.7	178.8	130.3	0	0	0	109.2	V22 L46 R47 F60 V74 V75 W77 L94	V22-L58 HydrophobicContact CB-CD1 4.2Å; V22-L58 HydrophobicContact CG1-CD1 3.6Å; V22-L58 HydrophobicContact CG2-CD1 3.5Å; V22-L58 VanDerWaalsContact CG2-CD1 3.5Å; L46-L58 HydrophobicContact CB-CD1 4.26Å; L46-L58 HydrophobicContact CD2-CD1 3.91Å; L46-L58 HydrophobicContact CD2-CD2 3.59Å; L46-L58 HydrophobicContact CD2-CG 4.08Å; R47-L58 WeakPolarHBondContact O-CA 3.35Å; L58-F60 HydrophobicContact CD2-CB 3.92Å; L58-F60 HydrophobicContact CD2-CD1 3.99Å; L58-F60 HydrophobicContact CD2-CG 4.41Å; L58-V74 WeakPolarHBondContact O-CA 3.35Å; L58-V75 PolarHBondContact N-O 2.89Å; L58-V75 PolarHBondContact O-N 2.77Å; L58-W77 HydrophobicContact CB-CH2 3.13Å; L58-W77 HydrophobicContact CB-CZ2 3.36Å; L58-W77 HydrophobicContact CB-CZ3 4.07Å; L58-W77 HydrophobicContact CD1-CH2 3.73Å; L58-W77 HydrophobicContact CD1-CZ2 4.02Å; L58-W77 HydrophobicContact CD2-CH2 3.97Å; L58-W77 HydrophobicContact CG-CH2 3.79Å; L58-W77 HydrophobicContact CG-CZ2 4.25Å; L58-L94 HydrophobicContact CD2-CD2 3.53Å
59	D	53.9	Low	55.3	Low	64 Å²	64	65.9 Å²	65.9	34%	0.342	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.7	169.2	-179.8	33	0	0	0	108.1	L46 R47 L49	L46-D59 CarbonylContact C-O 3.53Å; L46-D59 WeakPolarHBondContact CA-O 3.32Å; R47-D59 HydrophobicContact CB-CB 4.48Å; R47-D59 PolarHBondContact N-O 2.85Å; R47-D59 PolarHBondContact O-N 3.03Å; L49-D59 HydrophobicContact CD1-CB 4.28Å
60	F	60	Low	55.5	Low	16 Å²	16	68.6 Å²	68.6	7%	0.07	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.4	176.1	71.8	-91.9	0	0	0	110.9	F20 R45 L46 L58 V62 A71 D72 G73 V75 I96	F20-F60 HydrophobicContact CE2-CB 4.26Å; F20-F60 HydrophobicContact CE2-CD2 4.13Å; F20-F60 HydrophobicContact CE2-CG 4.33Å; F20-F60 HydrophobicContact CZ-CB 4.39Å; R45-F60 CarbonylContact O-C 3.59Å; R45-F60 VanDerWaalsContact O-CA 3.24Å; R45-F60 WeakPolarHBondContact O-CA 2.87Å; L46-F60 HydrophobicContact CD2-CB 3.7Å; L58-F60 HydrophobicContact CD2-CB 3.92Å; L58-F60 HydrophobicContact CD2-CD1 3.99Å; L58-F60 HydrophobicContact CD2-CG 4.41Å; F60-V62 HydrophobicContact CD2-CG2 4.21Å; F60-A71 HydrophobicContact CE2-CB 4.19Å; F60-D72 WeakPolarHBondContact O-CA 3.33Å; F60-G73 WeakPolarHBondContact CD1-O 3.37Å; F60-G73 VanDerWaalsContact CE1-CA 3.5Å; F60-G73 VanDerWaalsContact CE1-O 3.27Å; F60-G73 WeakPolarHBondContact CE1-O 3.4Å; F60-G73 VanDerWaalsContact CZ-CA 3.43Å; F60-G73 PolarHBondContact N-O 2.75Å; F60-G73 PolarHBondContact O-N 2.87Å; F60-V75 HydrophobicContact CD1-CG2 4.07Å; F60-V75 HydrophobicContact CE1-CG2 3.68Å; F60-I96 HydrophobicContact CD1-CD1 3.87Å; F60-I96 HydrophobicContact CD2-CD1 3.44Å; F60-I96 VanDerWaalsContact CD2-CD1 3.44Å; F60-I96 HydrophobicContact CE1-CD1 3.64Å; F60-I96 HydrophobicContact CE2-CD1 3.2Å; F60-I96 HydrophobicContact CG-CD1 3.79Å; F60-I96 HydrophobicContact CZ-CD1 3.31Å
61	K	57.7	Low	55.6	Low	76 Å²	76	58.5 Å²	58.5	33%	0.33	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	112.3	178.7	172.1	144.7	-163.4	144.5	0	110.4	G44 R45 S63 D72	G44-K61 CarbonylContact C-O 3.59Å; G44-K61 WeakPolarHBondContact CA-O 3.4Å; R45-K61 PolarHBondContact N-O 2.91Å; R45-K61 PolarHBondContact O-N 3Å; K61-S63 PolarHBondContact O-N 3.42Å; K61-D72 WeakPolarHBondContact CA-OD1 3.25Å; K61-D72 WeakPolarHBondContact CD-OD2 3.42Å; K61-D72 VanDerWaalsContact CE-OD2 3.25Å; K61-D72 WeakPolarHBondContact CE-OD2 3.28Å; K61-D72 VanDerWaalsContact CG-OD1 3.23Å; K61-D72 WeakPolarHBondContact CG-OD1 3.23Å; K61-D72 IonicContact NZ-OD2 3.91Å; K61-D72 PolarHBondContact NZ-OD2 2.77Å
62	V	61.2	Low	56	Low	0 Å²	0	59 Å²	59	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	93.1	178.4	-176.7	0	0	0	0	109.4	I18 F20 V43 F60 L65 R70 A71	I18-V62 HydrophobicContact CD1-CB 4.17Å; I18-V62 HydrophobicContact CD1-CG1 3.53Å; I18-V62 HydrophobicContact CD1-CG2 3.51Å; F20-V62 HydrophobicContact CE2-CG2 4.17Å; F20-V62 HydrophobicContact CZ-CG2 3.87Å; V43-V62 HydrophobicContact CB-CG1 4.4Å; V43-V62 CarbonylContact O-C 3.34Å; V43-V62 WeakPolarHBondContact O-CA 3.27Å; F60-V62 HydrophobicContact CD2-CG2 4.21Å; V62-L65 HydrophobicContact CG1-CB 4.05Å; V62-L65 HydrophobicContact CG1-CD1 3.46Å; V62-L65 VanDerWaalsContact CG1-CD1 3.46Å; V62-L65 HydrophobicContact CG1-CG 3.51Å; V62-R70 WeakPolarHBondContact O-CA 3.43Å; V62-R70 VanDerWaalsContact O-CB 3.3Å; V62-R70 WeakPolarHBondContact O-CB 3.39Å; V62-R70 VanDerWaalsContact O-CG 3.25Å; V62-R70 WeakPolarHBondContact O-CG 3.4Å; V62-A71 WeakPolarHBondContact CB-O 3.24Å; V62-A71 HydrophobicContact CG2-CB 4.33Å; V62-A71 WeakPolarHBondContact CG2-O 3.38Å; V62-A71 PolarHBondContact N-O 3.3Å
63	S	56.9	Low	56.3	Low	49 Å²	49	55.9 Å²	55.9	34%	0.343	30%	0.301	S	S	.	.			trans	-95	-26.9	-171.3	58.7	0	0	0	0	114.7	V43 K61 L65 R70	V43-S63 PolarHBondContact O-N 2.98Å; K61-S63 PolarHBondContact O-N 3.42Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.82Å; S63-R70 PolarHBondContact O-NE 3.37Å; S63-R70 PolarHBondContact O-NH2 3.5Å
64	R	51.5	Low	56.4	Low	169 Å²	169	53.1 Å²	53.1	64%	0.638	28%	0.284	S	S	*	.	S	Bend	trans	-86.9	1.9	-175.1	-64.4	-162.4	177.9	170	-6	114.6	S42 V43	S42-R64 VanDerWaalsContact O-CD 3.25Å; S42-R64 WeakPolarHBondContact O-CD 3.04Å; V43-R64 PolarHBondContact O-N 2.75Å
65	L	56.5	Low	56.4	Low	39 Å²	39	53.5 Å²	53.5	20%	0.204	28%	0.278	C	S	.	.	S	Bend	trans	-85.5	155.4	171.5	-66.3	-172.1	0	0	0	111.1	I18 V62 S63 C67 W69 R70 L98	I18-L65 HydrophobicContact CD1-CD1 3.82Å; V62-L65 HydrophobicContact CG1-CB 4.05Å; V62-L65 HydrophobicContact CG1-CD1 3.46Å; V62-L65 VanDerWaalsContact CG1-CD1 3.46Å; V62-L65 HydrophobicContact CG1-CG 3.51Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.82Å; L65-C67 PolarHBondContact O-N 2.97Å; L65-W69 HydrophobicContact CB-CB 3.78Å; L65-W69 HydrophobicContact CD1-CB 3.96Å; L65-W69 HydrophobicContact CG-CB 4.5Å; L65-R70 WeakPolarHBondContact O-CG 3.35Å; L65-R70 PolarHBondContact O-NE 2.96Å; L65-L98 HydrophobicContact CD1-CD1 3.64Å
66	P	56.5	Low	56.5	Low	77 Å²	77	52 Å²	52	50%	0.5	27%	0.274	S	S	.	.			trans	-53.3	141.4	170.7	-19	29.6	0	0	0	109	S68 W69 R70	P66-S68 PolarHBondContact O-N 3Å; P66-W69 WeakPolarHBondContact O-CA 3.44Å; P66-W69 WeakPolarHBondContact O-CB 3.39Å; P66-W69 PolarHBondContact O-N 2.95Å; P66-R70 PolarHBondContact O-N 2.81Å
67	C	55.4	Low	56.6	Low	47 Å²	47	51.9 Å²	51.9	32%	0.318	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-46.3	-41.8	-168	163.2	0	0	0	0	115.1	L65 W69 R70 C108	L65-C67 PolarHBondContact O-N 2.97Å; C67-W69 PolarHBondContact O-N 3.23Å; C67-R70 WeakPolarHBondContact O-CB 3.38Å; C67-R70 PolarHBondContact O-N 3.02Å; C67-C108 HydrophobicContact CB-CB 3.98Å; C67-C108 WeakPolarHBondContact CB-SG 3.16Å; C67-C108 VanDerWaalsContact SG-CA 3.57Å; C67-C108 WeakPolarHBondContact SG-CB 2.84Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 3.03Å
68	S	52.8	Low	56.7	Low	16 Å²	16	54.6 Å²	54.6	11%	0.112	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.1	-9.6	176.8	54.1	0	0	0	0	115	P66 R102 P103	P66-S68 PolarHBondContact O-N 3Å; S68-R102 WeakPolarHBondContact OG-CG 3.46Å; S68-R102 PolarHBondContact OG-NE 2.89Å; S68-P103 WeakPolarHBondContact O-CD 2.9Å; S68-P103 WeakPolarHBondContact O-CG 3.25Å
69	W	49.1	Very low	56.9	Low	56 Å²	56	56.1 Å²	56.1	21%	0.212	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-116.5	-4.6	178.9	-64.6	90.3	0	0	0	112.2	L65 P66 C67 A71 L98 P99 R102	L65-W69 HydrophobicContact CB-CB 3.78Å; L65-W69 HydrophobicContact CD1-CB 3.96Å; L65-W69 HydrophobicContact CG-CB 4.5Å; P66-W69 WeakPolarHBondContact O-CA 3.44Å; P66-W69 WeakPolarHBondContact O-CB 3.39Å; P66-W69 PolarHBondContact O-N 2.95Å; C67-W69 PolarHBondContact O-N 3.23Å; W69-A71 PolarHBondContact O-N 2.97Å; W69-L98 HydrophobicContact CE3-CB 3.78Å; W69-L98 HydrophobicContact CE3-CD1 3.89Å; W69-L98 HydrophobicContact CE3-CG 4.32Å; W69-L98 HydrophobicContact CZ3-CB 3.63Å; W69-L98 HydrophobicContact CZ3-CD1 4.28Å; W69-P99 WeakPolarHBondContact CH2-O 3.11Å; W69-P99 WeakPolarHBondContact CZ3-O 2.88Å; W69-R102 HydrophobicContact CZ2-CB 4.49Å
70	R	54.6	Low	57.3	Low	123 Å²	123	59 Å²	59	46%	0.464	31%	0.308	S	S	.	.			trans	-65	122.8	173.9	-66	-176	178.3	175.5	-5.3	107.1	V62 S63 L65 P66 C67 M111	V62-R70 WeakPolarHBondContact O-CA 3.43Å; V62-R70 VanDerWaalsContact O-CB 3.3Å; V62-R70 WeakPolarHBondContact O-CB 3.39Å; V62-R70 VanDerWaalsContact O-CG 3.25Å; V62-R70 WeakPolarHBondContact O-CG 3.4Å; S63-R70 PolarHBondContact O-NE 3.37Å; S63-R70 PolarHBondContact O-NH2 3.5Å; L65-R70 WeakPolarHBondContact O-CG 3.35Å; L65-R70 PolarHBondContact O-NE 2.96Å; P66-R70 PolarHBondContact O-N 2.81Å; C67-R70 WeakPolarHBondContact O-CB 3.38Å; C67-R70 PolarHBondContact O-N 3.02Å; R70-M111 HydrophobicContact CB-CE 4.43Å
71	A	56	Low	57.3	Low	26 Å²	26	64 Å²	64	22%	0.215	33%	0.331	C	S	.	.			trans	-120	118.6	177.6	0	0	0	0	0	106.6	F60 V62 W69	F60-A71 HydrophobicContact CE2-CB 4.19Å; V62-A71 WeakPolarHBondContact CB-O 3.24Å; V62-A71 HydrophobicContact CG2-CB 4.33Å; V62-A71 WeakPolarHBondContact CG2-O 3.38Å; V62-A71 PolarHBondContact N-O 3.3Å; W69-A71 PolarHBondContact O-N 2.97Å
72	D	57.2	Low	57.2	Low	64 Å²	64	60.9 Å²	60.9	34%	0.342	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.9	166.4	-68.9	4.8	0	0	0	105.6	F60 K61 M111	F60-D72 WeakPolarHBondContact O-CA 3.33Å; K61-D72 WeakPolarHBondContact CA-OD1 3.25Å; K61-D72 WeakPolarHBondContact CD-OD2 3.42Å; K61-D72 VanDerWaalsContact CE-OD2 3.25Å; K61-D72 WeakPolarHBondContact CE-OD2 3.28Å; K61-D72 VanDerWaalsContact CG-OD1 3.23Å; K61-D72 WeakPolarHBondContact CG-OD1 3.23Å; K61-D72 IonicContact NZ-OD2 3.91Å; K61-D72 PolarHBondContact NZ-OD2 2.77Å; D72-M111 HydrophobicContact CB-CE 4.3Å; D72-M111 HydrophobicContact CB-SD 4.41Å; D72-M111 VanDerWaalsContact CG-SD 3.53Å
73	G	55.9	Low	57	Low	20 Å²	20	64.1 Å²	64.1	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	157.1	-179	0	0	0	0	0	112.2	F60	F60-G73 WeakPolarHBondContact CD1-O 3.37Å; F60-G73 VanDerWaalsContact CE1-CA 3.5Å; F60-G73 VanDerWaalsContact CE1-O 3.27Å; F60-G73 WeakPolarHBondContact CE1-O 3.4Å; F60-G73 VanDerWaalsContact CZ-CA 3.43Å; F60-G73 PolarHBondContact N-O 2.75Å; F60-G73 PolarHBondContact O-N 2.87Å
74	V	60	Low	57.1	Low	94 Å²	94	68.4 Å²	68.4	57%	0.57	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	117	179.1	-179.1	0	0	0	0	106.8	T57 L58	T57-V74 HydrophobicContact CG2-CG1 3.12Å; L58-V74 WeakPolarHBondContact O-CA 3.35Å
75	V	58.4	Low	57	Low	46 Å²	46	64.9 Å²	64.9	28%	0.279	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.5	172.7	-168.7	0	0	0	0	107.7	T57 L58 F60 W77 L94	T57-V75 CarbonylContact C-O 3.55Å; T57-V75 WeakPolarHBondContact CA-O 3.49Å; L58-V75 PolarHBondContact N-O 2.89Å; L58-V75 PolarHBondContact O-N 2.77Å; F60-V75 HydrophobicContact CD1-CG2 4.07Å; F60-V75 HydrophobicContact CE1-CG2 3.68Å; V75-W77 HydrophobicContact CB-CE3 4.04Å; V75-W77 HydrophobicContact CB-CH2 4.47Å; V75-W77 HydrophobicContact CB-CZ3 3.63Å; V75-W77 HydrophobicContact CG1-CE3 3.49Å; V75-W77 VanDerWaalsContact CG1-CE3 3.49Å; V75-W77 HydrophobicContact CG1-CZ3 3.5Å; V75-L94 HydrophobicContact CG2-CD2 4.24Å
76	T	57.9	Low	56.8	Low	66 Å²	66	64 Å²	64	41%	0.405	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	173.4	-57.2	0	0	0	0	108.9	M55 K56 T57	M55-T76 HydrophobicContact CB-CG2 3.74Å; M55-T76 HydrophobicContact CE-CG2 4.27Å; M55-T76 HydrophobicContact CG-CG2 4.14Å; M55-T76 HydrophobicContact SD-CG2 3.65Å; K56-T76 WeakPolarHBondContact O-CA 2.84Å; T57-T76 WeakPolarHBondContact OG1-CG2 3.25Å; T57-T76 PolarHBondContact OG1-OG1 2.81Å
77	W	60.2	Low	56.4	Low	30 Å²	30	70.8 Å²	70.8	11%	0.114	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.6	173.6	39.1	73.2	0	0	0	110.2	L48 M55 K56 L58 V75 T79 L82 F92 L94	L48-W77 HydrophobicContact CD1-CZ2 3.96Å; M55-W77 WeakPolarHBondContact CA-O 3.44Å; K56-W77 VanDerWaalsContact CB-CD1 3.43Å; K56-W77 PolarHBondContact N-O 2.86Å; K56-W77 VanDerWaalsContact O-CD1 3.3Å; K56-W77 PolarHBondContact O-N 3.36Å; K56-W77 PolarHBondContact O-NE1 3.27Å; L58-W77 HydrophobicContact CB-CH2 3.13Å; L58-W77 HydrophobicContact CB-CZ2 3.36Å; L58-W77 HydrophobicContact CB-CZ3 4.07Å; L58-W77 HydrophobicContact CD1-CH2 3.73Å; L58-W77 HydrophobicContact CD1-CZ2 4.02Å; L58-W77 HydrophobicContact CD2-CH2 3.97Å; L58-W77 HydrophobicContact CG-CH2 3.79Å; L58-W77 HydrophobicContact CG-CZ2 4.25Å; V75-W77 HydrophobicContact CB-CE3 4.04Å; V75-W77 HydrophobicContact CB-CH2 4.47Å; V75-W77 HydrophobicContact CB-CZ3 3.63Å; V75-W77 HydrophobicContact CG1-CE3 3.49Å; V75-W77 VanDerWaalsContact CG1-CE3 3.49Å; V75-W77 HydrophobicContact CG1-CZ3 3.5Å; W77-T79 PolarHBondContact O-N 3.24Å; W77-L82 HydrophobicContact CD2-CD1 3.9Å; W77-L82 HydrophobicContact CG-CB 4.43Å; W77-L82 HydrophobicContact CG-CD1 3.86Å; W77-L82 HydrophobicContact CZ2-CD1 4.34Å; W77-F92 AromaticContact CE2-CZ 3.91Å; W77-F92 AromaticContact CH2-CE2 3.55Å; W77-F92 HydrophobicContact CH2-CE2 3.55Å; W77-F92 AromaticContact CH2-CZ 3.63Å; W77-F92 HydrophobicContact CH2-CZ 3.63Å; W77-F92 HydrophobicContact CZ2-CE1 4.46Å; W77-F92 AromaticContact CZ2-CE2 3.74Å; W77-F92 HydrophobicContact CZ2-CE2 3.74Å; W77-F92 AromaticContact CZ2-CZ 3.32Å; W77-F92 HydrophobicContact CZ2-CZ 3.32Å; W77-F92 HydrophobicContact CZ3-CE2 4.07Å; W77-F92 HydrophobicContact CZ3-CZ 4.49Å; W77-L94 HydrophobicContact CZ3-CD1 4.38Å; W77-L94 HydrophobicContact CZ3-CD2 4.47Å
78	N	59.9	Low	56	Low	69 Å²	69	78.2 Å²	78.2	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.9	167.5	-174.6	-24.4	0	0	0	108.9	G54 E80 E81 L82	G54-N78 PolarHBondContact O-OD1 3.29Å; N78-E80 VanDerWaalsContact C-N 3.26Å; N78-E80 PolarHBondContact O-N 2.83Å; N78-E80 PolarHBondContact OD1-N 3.34Å; N78-E81 HydrophobicContact CB-CB 4.38Å; N78-E81 HydrophobicContact CB-CG 4.14Å; N78-E81 PolarHBondContact O-N 3.38Å; N78-L82 PolarHBondContact O-N 3.36Å
79	T	63.1	Low	55.8	Low	31 Å²	31	79.2 Å²	79.2	19%	0.19	40%	0.403	C	S	.	.	H	α-helix	trans	-58.4	-38.9	179.6	-56.4	0	0	0	0	111.2	G54 K56 W77 E81 L82 D83	G54-T79 VanDerWaalsContact O-CB 3.29Å; G54-T79 WeakPolarHBondContact O-CB 3.5Å; G54-T79 PolarHBondContact O-N 3.11Å; G54-T79 PolarHBondContact O-OG1 3.09Å; K56-T79 HydrophobicContact CD-CG2 4.12Å; W77-T79 PolarHBondContact O-N 3.24Å; T79-E81 PolarHBondContact O-N 3.21Å; T79-L82 PolarHBondContact O-N 3.4Å; T79-D83 VanDerWaalsContact O-CB 3.26Å; T79-D83 WeakPolarHBondContact O-CB 3.3Å; T79-D83 PolarHBondContact O-N 3.21Å
80	E	63.5	Low	56	Low	124 Å²	124	80 Å²	80	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-65.7	-38.3	178.6	-67	-172.1	179.8	0	0	112.6	N78 K84	N78-E80 VanDerWaalsContact C-N 3.26Å; N78-E80 PolarHBondContact O-N 2.83Å; N78-E80 PolarHBondContact OD1-N 3.34Å; E80-K84 WeakPolarHBondContact O-CB 3.34Å; E80-K84 WeakPolarHBondContact O-CD 2.78Å; E80-K84 WeakPolarHBondContact O-CG 3.41Å; E80-K84 PolarHBondContact O-N 3.33Å
81	E	58.2	Low	55.9	Low	121 Å²	121	76.1 Å²	76.1	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-69.9	-40.9	177.4	-67.8	-172.2	135.4	0	0	110.9	N78 T79 K84 C85	N78-E81 HydrophobicContact CB-CB 4.38Å; N78-E81 HydrophobicContact CB-CG 4.14Å; N78-E81 PolarHBondContact O-N 3.38Å; T79-E81 PolarHBondContact O-N 3.21Å; E81-K84 PolarHBondContact O-N 2.9Å; E81-C85 PolarHBondContact O-N 2.96Å; E81-C85 PolarHBondContact O-SG 3.02Å
82	L	56.4	Low	55.8	Low	12 Å²	12	76.1 Å²	76.1	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-48.8	174.2	-164.5	88	0	0	0	110.7	K56 W77 N78 T79 K84 C85 T86 F92	K56-L82 HydrophobicContact CD-CD2 3.5Å; K56-L82 VanDerWaalsContact CD-CD2 3.5Å; W77-L82 HydrophobicContact CD2-CD1 3.9Å; W77-L82 HydrophobicContact CG-CB 4.43Å; W77-L82 HydrophobicContact CG-CD1 3.86Å; W77-L82 HydrophobicContact CZ2-CD1 4.34Å; N78-L82 PolarHBondContact O-N 3.36Å; T79-L82 PolarHBondContact O-N 3.4Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 2.84Å; L82-C85 CarbonylContact O-C 3.52Å; L82-C85 WeakPolarHBondContact O-CA 3.34Å; L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 2.62Å; L82-T86 HydrophobicContact CG-CG2 4.33Å; L82-T86 WeakPolarHBondContact O-CG2 3.25Å; L82-T86 PolarHBondContact O-N 2.98Å; L82-T86 PolarHBondContact O-OG1 2.94Å; L82-F92 HydrophobicContact CD1-CD1 3.72Å; L82-F92 HydrophobicContact CD1-CD2 4.01Å; L82-F92 HydrophobicContact CD1-CE1 3.45Å; L82-F92 VanDerWaalsContact CD1-CE1 3.45Å; L82-F92 HydrophobicContact CD1-CE2 3.75Å; L82-F92 HydrophobicContact CD1-CG 3.98Å; L82-F92 HydrophobicContact CD1-CZ 3.44Å; L82-F92 VanDerWaalsContact CD1-CZ 3.44Å; L82-F92 HydrophobicContact CD2-CD1 4.27Å; L82-F92 HydrophobicContact CD2-CE1 3.71Å; L82-F92 HydrophobicContact CD2-CZ 4.27Å; L82-F92 HydrophobicContact CG-CD1 4.18Å; L82-F92 HydrophobicContact CG-CE1 3.97Å; L82-F92 HydrophobicContact CG-CZ 4.39Å
83	D	58.1	Low	55.7	Low	68 Å²	68	77 Å²	77	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-35.1	-177.7	-69.6	-3.9	0	0	0	111	K56 T79 T86 R87	K56-D83 IonicContact NZ-OD1 3.72Å; K56-D83 PolarHBondContact NZ-OD1 3.13Å; T79-D83 VanDerWaalsContact O-CB 3.26Å; T79-D83 WeakPolarHBondContact O-CB 3.3Å; T79-D83 PolarHBondContact O-N 3.21Å; D83-T86 WeakPolarHBondContact CA-OG1 3.44Å; D83-T86 PolarHBondContact O-N 2.67Å; D83-T86 PolarHBondContact O-OG1 3.1Å; D83-R87 WeakPolarHBondContact O-CG 3.24Å; D83-R87 PolarHBondContact O-N 2.74Å; D83-R87 VanDerWaalsContact O-N 3.15Å
84	K	58.1	Low	55.8	Low	138 Å²	138	77.3 Å²	77.3	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-62.6	-42.1	169.4	-76.6	167.2	-172.7	166.4	0	111.7	E80 E81 L82	E80-K84 WeakPolarHBondContact O-CB 3.34Å; E80-K84 WeakPolarHBondContact O-CD 2.78Å; E80-K84 WeakPolarHBondContact O-CG 3.41Å; E80-K84 PolarHBondContact O-N 3.33Å; E81-K84 PolarHBondContact O-N 2.9Å; L82-K84 VanDerWaalsContact C-N 3.28Å; L82-K84 PolarHBondContact O-N 2.84Å
85	C	49.9	Very low	55.6	Low	96 Å²	96	78 Å²	78	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-68.7	-35.1	176.9	-67.2	0	0	0	0	112.8	E81 L82	E81-C85 PolarHBondContact O-N 2.96Å; E81-C85 PolarHBondContact O-SG 3.02Å; L82-C85 CarbonylContact O-C 3.52Å; L82-C85 WeakPolarHBondContact O-CA 3.34Å; L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 2.62Å
86	T	51.5	Low	55.7	Low	20 Å²	20	77.1 Å²	77.1	12%	0.123	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-86.5	0.1	-179.4	58.7	0	0	0	0	113.7	L82 D83 Q88 G89 F92	L82-T86 HydrophobicContact CG-CG2 4.33Å; L82-T86 WeakPolarHBondContact O-CG2 3.25Å; L82-T86 PolarHBondContact O-N 2.98Å; L82-T86 PolarHBondContact O-OG1 2.94Å; D83-T86 WeakPolarHBondContact CA-OG1 3.44Å; D83-T86 PolarHBondContact O-N 2.67Å; D83-T86 PolarHBondContact O-OG1 3.1Å; T86-Q88 PolarHBondContact O-N 3.22Å; T86-G89 CarbonylContact C-O 3.47Å; T86-G89 WeakPolarHBondContact CA-O 3.37Å; T86-G89 CarbonylContact O-C 3.6Å; T86-G89 VanDerWaalsContact O-C 3.29Å; T86-G89 PolarHBondContact O-N 3.18Å; T86-F92 HydrophobicContact CG2-CB 4.17Å; T86-F92 HydrophobicContact CG2-CD1 3.79Å; T86-F92 HydrophobicContact CG2-CG 4.42Å
87	R	49	Very low	55.6	Low	220 Å²	220	77.6 Å²	77.6	83%	0.83	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62.4	-13.3	176.5	-94.5	180	-177.1	-176.8	0.9	114	D83	D83-R87 WeakPolarHBondContact O-CG 3.24Å; D83-R87 PolarHBondContact O-N 2.74Å; D83-R87 VanDerWaalsContact O-N 3.15Å
88	Q	46.6	Very low	55.3	Low	203 Å²	203	77.2 Å²	77.2	95%	0.949	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-95.2	5.1	174.3	-69.5	-173.3	-7.3	0	0	114.1	T86	T86-Q88 PolarHBondContact O-N 3.22Å
89	G	47.9	Very low	54.9	Low	36 Å²	36	77.5 Å²	77.5	37%	0.371	40%	0.395	S	S	.	.			trans	152.1	152.4	179.1	0	0	0	0	0	110.8	T86 H91	T86-G89 CarbonylContact C-O 3.47Å; T86-G89 WeakPolarHBondContact CA-O 3.37Å; T86-G89 CarbonylContact O-C 3.6Å; T86-G89 VanDerWaalsContact O-C 3.29Å; T86-G89 PolarHBondContact O-N 3.18Å; G89-H91 PolarHBondContact O-N 3.37Å
90	D	53	Low	54.2	Low	72 Å²	72	81.2 Å²	81.2	39%	0.385	41%	0.409	S	S	.	.	S	Bend	trans	-62.6	6.9	-174	-68.1	-41.7	0	0	0	115.2	S23 S24 K25	S23-D90 CarbonylContact C-O 3.29Å; S23-D90 VanDerWaalsContact CA-O 3.32Å; S23-D90 WeakPolarHBondContact CA-O 3.12Å; S24-D90 PolarHBondContact N-O 3.34Å; S24-D90 PolarHBondContact OG-O 3.3Å; S24-D90 PolarHBondContact OG-OD1 3.16Å; K25-D90 WeakPolarHBondContact CE-OD2 3.32Å; K25-D90 HydrophobicContact CG-CB 4.12Å; K25-D90 IonicContact NZ-OD2 2.77Å
91	H	52.3	Low	53.5	Low	43 Å²	43	83.9 Å²	83.9	20%	0.199	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.5	-169.8	-51.5	-81.1	0	0	0	110.4	L21 V22 S23 Y36 G89	L21-H91 HydrophobicContact CD2-CB 4.33Å; V22-H91 WeakPolarHBondContact O-CA 3.34Å; S23-H91 PolarHBondContact OG-CE1 3.35Å; S23-H91 PolarHBondContact OG-ND1 3.23Å; Y36-H91 AromaticContact CZ-CD2 3.94Å; Y36-H91 AromaticContact CZ-CG 3.94Å; Y36-H91 PolarHBondContact OH-CD2 3.32Å; Y36-H91 PolarHBondContact OH-CE1 2.88Å; Y36-H91 PolarHBondContact OH-NE2 3.31Å; G89-H91 PolarHBondContact O-N 3.37Å
92	F	53.9	Low	53.1	Low	25 Å²	25	85.2 Å²	85.2	11%	0.11	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.7	166	65.6	-85	0	0	0	110.6	V22 W77 L82 T86	V22-F92 HydrophobicContact CB-CD1 3.92Å; V22-F92 HydrophobicContact CB-CD2 4.05Å; V22-F92 HydrophobicContact CB-CE1 3.39Å; V22-F92 HydrophobicContact CB-CE2 3.56Å; V22-F92 HydrophobicContact CB-CG 4.23Å; V22-F92 HydrophobicContact CB-CZ 3.21Å; V22-F92 HydrophobicContact CG1-CD1 4.32Å; V22-F92 HydrophobicContact CG1-CE1 3.37Å; V22-F92 HydrophobicContact CG1-CE2 4.06Å; V22-F92 HydrophobicContact CG1-CZ 3.22Å; V22-F92 HydrophobicContact CG2-CD2 4.24Å; V22-F92 HydrophobicContact CG2-CE1 4.35Å; V22-F92 HydrophobicContact CG2-CE2 3.6Å; V22-F92 HydrophobicContact CG2-CZ 3.69Å; V22-F92 PolarHBondContact N-O 2.91Å; V22-F92 WeakPolarHBondContact O-CD1 2.94Å; V22-F92 PolarHBondContact O-N 3.13Å; W77-F92 AromaticContact CE2-CZ 3.91Å; W77-F92 AromaticContact CH2-CE2 3.55Å; W77-F92 HydrophobicContact CH2-CE2 3.55Å; W77-F92 AromaticContact CH2-CZ 3.63Å; W77-F92 HydrophobicContact CH2-CZ 3.63Å; W77-F92 HydrophobicContact CZ2-CE1 4.46Å; W77-F92 AromaticContact CZ2-CE2 3.74Å; W77-F92 HydrophobicContact CZ2-CE2 3.74Å; W77-F92 AromaticContact CZ2-CZ 3.32Å; W77-F92 HydrophobicContact CZ2-CZ 3.32Å; W77-F92 HydrophobicContact CZ3-CE2 4.07Å; W77-F92 HydrophobicContact CZ3-CZ 4.49Å; L82-F92 HydrophobicContact CD1-CD1 3.72Å; L82-F92 HydrophobicContact CD1-CD2 4.01Å; L82-F92 HydrophobicContact CD1-CE1 3.45Å; L82-F92 VanDerWaalsContact CD1-CE1 3.45Å; L82-F92 HydrophobicContact CD1-CE2 3.75Å; L82-F92 HydrophobicContact CD1-CG 3.98Å; L82-F92 HydrophobicContact CD1-CZ 3.44Å; L82-F92 VanDerWaalsContact CD1-CZ 3.44Å; L82-F92 HydrophobicContact CD2-CD1 4.27Å; L82-F92 HydrophobicContact CD2-CE1 3.71Å; L82-F92 HydrophobicContact CD2-CZ 4.27Å; L82-F92 HydrophobicContact CG-CD1 4.18Å; L82-F92 HydrophobicContact CG-CE1 3.97Å; L82-F92 HydrophobicContact CG-CZ 4.39Å; T86-F92 HydrophobicContact CG2-CB 4.17Å; T86-F92 HydrophobicContact CG2-CD1 3.79Å; T86-F92 HydrophobicContact CG2-CG 4.42Å
93	V	55.4	Low	52.9	Low	82 Å²	82	87 Å²	87	50%	0.497	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113	179.8	162.7	0	0	0	0	108.4	I19 F20 L21 M95	I19-V93 HydrophobicContact CB-CG1 4.43Å; I19-V93 HydrophobicContact CG1-CG1 4.26Å; I19-V93 HydrophobicContact CG2-CB 4.38Å; I19-V93 HydrophobicContact CG2-CG1 3.52Å; I19-V93 HydrophobicContact CG2-CG2 4.18Å; F20-V93 WeakPolarHBondContact O-CA 3.42Å; L21-V93 HydrophobicContact CD2-CG2 4.05Å; L21-V93 HydrophobicContact CG-CG2 4.38Å; V93-M95 HydrophobicContact CG1-CG 3.82Å; V93-M95 HydrophobicContact CG1-SD 4.47Å
94	L	57.7	Low	52.6	Low	28 Å²	28	89.1 Å²	89.1	15%	0.147	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.8	166.8	176.6	69.2	0	0	0	108.7	I19 F20 V22 L58 V75 W77 I96	I19-L94 CarbonylContact C-O 3.56Å; I19-L94 WeakPolarHBondContact CA-O 2.91Å; F20-L94 HydrophobicContact CB-CB 4.12Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 PolarHBondContact N-O 2.66Å; F20-L94 PolarHBondContact O-N 2.86Å; V22-L94 HydrophobicContact CG2-CB 4.45Å; L58-L94 HydrophobicContact CD2-CD2 3.53Å; V75-L94 HydrophobicContact CG2-CD2 4.24Å; W77-L94 HydrophobicContact CZ3-CD1 4.38Å; W77-L94 HydrophobicContact CZ3-CD2 4.47Å; L94-I96 HydrophobicContact CD2-CD1 4.34Å; L94-I96 HydrophobicContact CD2-CG1 4.4Å; L94-I96 HydrophobicContact CG-CG1 4.23Å
95	M	56.6	Low	52.2	Low	109 Å²	109	86.4 Å²	86.4	54%	0.537	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	173.8	-77.2	-178.9	59.8	0	0	110.3	I18 I19 V93	I18-M95 CarbonylContact O-C 3.45Å; I18-M95 WeakPolarHBondContact O-CA 2.94Å; I19-M95 HydrophobicContact CG1-CG 3.61Å; I19-M95 HydrophobicContact CG1-SD 4.28Å; V93-M95 HydrophobicContact CG1-CG 3.82Å; V93-M95 HydrophobicContact CG1-SD 4.47Å
96	I	60	Low	51.9	Low	27 Å²	27	92.8 Å²	92.8	14%	0.138	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110	174.4	-50.2	-167.9	0	0	0	108.9	G17 I18 F20 F60 L94 L98	G17-I96 CarbonylContact C-O 3.37Å; G17-I96 WeakPolarHBondContact CA-O 3.17Å; I18-I96 PolarHBondContact N-O 2.86Å; I18-I96 PolarHBondContact O-N 3.16Å; F20-I96 HydrophobicContact CD2-CD1 3.87Å; F20-I96 HydrophobicContact CD2-CG1 4.16Å; F20-I96 HydrophobicContact CE2-CD1 3.62Å; F20-I96 HydrophobicContact CE2-CG1 4.26Å; F60-I96 HydrophobicContact CD1-CD1 3.87Å; F60-I96 HydrophobicContact CD2-CD1 3.44Å; F60-I96 VanDerWaalsContact CD2-CD1 3.44Å; F60-I96 HydrophobicContact CE1-CD1 3.64Å; F60-I96 HydrophobicContact CE2-CD1 3.2Å; F60-I96 HydrophobicContact CG-CD1 3.79Å; F60-I96 HydrophobicContact CZ-CD1 3.31Å; L94-I96 HydrophobicContact CD2-CD1 4.34Å; L94-I96 HydrophobicContact CD2-CG1 4.4Å; L94-I96 HydrophobicContact CG-CG1 4.23Å; I96-L98 PolarHBondContact O-N 2.97Å
97	D	56	Low	51.8	Low	76 Å²	76	102.1 Å²	102.1	41%	0.406	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.7	174.4	-78.3	-22.9	0	0	0	110.2	R14	R14-D97 VanDerWaalsContact CD-OD2 3.28Å; R14-D97 WeakPolarHBondContact CD-OD2 3.36Å; R14-D97 IonicContact CZ-OD2 2.85Å; R14-D97 IonicContact NE-OD2 2.81Å; R14-D97 IonicContact NH1-OD2 3.71Å; R14-D97 PolarHBondContact NH1-OD2 3.12Å
98	L	54	Low	51.6	Low	21 Å²	21	94.6 Å²	94.6	11%	0.11	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.9	172.6	-61.5	174.6	0	0	0	110.3	I18 L65 W69 I96 K100	I18-L98 HydrophobicContact CD1-CD1 3.97Å; I18-L98 HydrophobicContact CD1-CD2 4.16Å; I18-L98 HydrophobicContact CD1-CG 4.32Å; I18-L98 HydrophobicContact CG1-CD1 3.89Å; I18-L98 HydrophobicContact CG1-CG 4.26Å; L65-L98 HydrophobicContact CD1-CD1 3.64Å; W69-L98 HydrophobicContact CE3-CB 3.78Å; W69-L98 HydrophobicContact CE3-CD1 3.89Å; W69-L98 HydrophobicContact CE3-CG 4.32Å; W69-L98 HydrophobicContact CZ3-CB 3.63Å; W69-L98 HydrophobicContact CZ3-CD1 4.28Å; I96-L98 PolarHBondContact O-N 2.97Å; L98-K100 PolarHBondContact O-N 3Å
99	P	51.7	Low	51.5	Low	76 Å²	76	92.2 Å²	92.2	49%	0.494	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-63.5	128.8	176.7	25.6	-32.9	0	0	0	110.6	W69 K101	W69-P99 WeakPolarHBondContact CH2-O 3.11Å; W69-P99 WeakPolarHBondContact CZ3-O 2.88Å; P99-K101 VanDerWaalsContact C-N 3.26Å; P99-K101 PolarHBondContact O-N 2.74Å
100	K	48.3	Very low	51.3	Low	108 Å²	108	96 Å²	96	47%	0.47	48%	0.477	S	S	.	.	S	Bend	trans	-58.9	-34.3	-177.7	177.6	178.4	-174	-172.8	0	113.6	N13 I15 L98	N13-K100 HydrophobicContact CB-CD 4.23Å; N13-K100 WeakPolarHBondContact O-CB 3.35Å; N13-K100 WeakPolarHBondContact O-CD 3.43Å; N13-K100 PolarHBondContact OD1-NZ 3.38Å; I15-K100 HydrophobicContact CD1-CB 4.46Å; I15-K100 HydrophobicContact CD1-CG 3.91Å; I15-K100 HydrophobicContact CG1-CB 4.35Å; I15-K100 HydrophobicContact CG1-CG 4.03Å; L98-K100 PolarHBondContact O-N 3Å
101	K	49.8	Very low	50.8	Low	181 Å²	181	97 Å²	97	79%	0.787	48%	0.481	S	S	*	.	S	Bend	trans	-91.4	127.2	173.7	-70.4	-173.9	179	-177.9	0	108	P99 P103	P99-K101 VanDerWaalsContact C-N 3.26Å; P99-K101 PolarHBondContact O-N 2.74Å; K101-P103 WeakPolarHBondContact O-CD 3.41Å
102	R	48.2	Very low	50	Low	148 Å²	148	102.5 Å²	102.5	56%	0.558	51%	0.512	S	S	*	.			trans	-43.7	116.7	165.2	-170.2	179.7	-176	-178.9	-4.3	107.1	S68 W69	S68-R102 WeakPolarHBondContact OG-CG 3.46Å; S68-R102 PolarHBondContact OG-NE 2.89Å; W69-R102 HydrophobicContact CZ2-CB 4.49Å
103	P	54	Low	49	Very low	51 Å²	51	109.4 Å²	109.4	33%	0.331	57%	0.574	S	S	.	*			trans	-55.9	140.4	173.8	21.5	-29.8	0	0	0	107.3	S68 K101 S105	S68-P103 WeakPolarHBondContact O-CD 2.9Å; S68-P103 WeakPolarHBondContact O-CG 3.25Å; K101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-S105 PolarHBondContact O-N 3.45Å; P103-S105 VanDerWaalsContact O-N 3.16Å
104	P	51.3	Low	48.7	Very low	112 Å²	112	110.8 Å²	110.8	73%	0.727	58%	0.578	S	S	*	*			trans	-50.2	130.8	-177	19.7	-30.6	0	0	0	108	R106	P104-R106 PolarHBondContact O-N 3.18Å
105	S	49	Very low	48.3	Very low	81 Å²	81	115.2 Å²	115.2	57%	0.566	60%	0.6	S	S	*	*			trans	-65.8	62.1	-179.9	173.6	0	0	0	0	110.3	P103 R107	P103-S105 PolarHBondContact O-N 3.45Å; P103-S105 VanDerWaalsContact O-N 3.16Å; S105-R107 PolarHBondContact O-N 3.46Å; S105-R107 VanDerWaalsContact O-N 3.1Å
106	R	44.8	Very low	47.8	Very low	229 Å²	229	115.5 Å²	115.5	86%	0.864	60%	0.604	S	S	*	*			trans	-72.1	104.5	160.2	-80.3	-170.9	176.2	-174	-0.4	104.5	P104	P104-R106 PolarHBondContact O-N 3.18Å
107	R	47.7	Very low	47.1	Very low	216 Å²	216	120.7 Å²	120.7	82%	0.815	63%	0.631	S	S	*	*			trans	21.3	104	169.3	-69.4	179.2	178.5	-179.8	-1.4	112.8	S105 E109	S105-R107 PolarHBondContact O-N 3.46Å; S105-R107 VanDerWaalsContact O-N 3.1Å; R107-E109 HydrophobicContact CB-CG 4.39Å; R107-E109 PolarHBondContact O-N 3.26Å
108	C	45.5	Very low	46.5	Very low	63 Å²	63	123.5 Å²	123.5	43%	0.426	65%	0.645	S	S	.	*			trans	-54.3	78.9	159.2	-75.1	0	0	0	0	109.7	C67	C67-C108 HydrophobicContact CB-CB 3.98Å; C67-C108 WeakPolarHBondContact CB-SG 3.16Å; C67-C108 VanDerWaalsContact SG-CA 3.57Å; C67-C108 WeakPolarHBondContact SG-CB 2.84Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 3.03Å
109	E	45	Very low	46	Very low	152 Å²	152	130.3 Å²	130.3	71%	0.71	68%	0.681	S	S	*	*			trans	-66.1	130.1	168.7	-68.8	-167.2	166.4	0	0	106.3	R107 M111	R107-E109 HydrophobicContact CB-CG 4.39Å; R107-E109 PolarHBondContact O-N 3.26Å; E109-M111 PolarHBondContact O-N 2.01Å
110	P	43.5	Very low	45.6	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	69%	0.694	S	S	*	*			trans	-56.5	118	175.6	22.1	-29.8	0	0	0	107.7	N112	P110-N112 PolarHBondContact O-N 3.37Å
111	M	43.2	Very low	45.4	Very low	95 Å²	95	136.2 Å²	136.2	47%	0.468	71%	0.712	S	S	.	*			trans	-56.8	110.9	167.5	-71.3	163.2	174.4	0	0	105.8	R70 D72 E109 A113	R70-M111 HydrophobicContact CB-CE 4.43Å; D72-M111 HydrophobicContact CB-CE 4.3Å; D72-M111 HydrophobicContact CB-SD 4.41Å; D72-M111 VanDerWaalsContact CG-SD 3.53Å; E109-M111 PolarHBondContact O-N 2.01Å; M111-A113 PolarHBondContact O-N 2.9Å
112	N	35.5	Very low	45.1	Very low	157 Å²	157	132.5 Å²	132.5	84%	0.84	71%	0.706	S	S	*	*			trans	-43.8	132.3	-179	-92.5	-16.2	0	0	0	110	P110	P110-N112 PolarHBondContact O-N 3.37Å
113	A	33	Very low	44.8	Very low	171 Å²	171	131.1 Å²	131.1	100%	1.413	72%	0.719	S	S	*	*			trans	-57	0	-173.8	0	0	0	0	0	113	M111	M111-A113 PolarHBondContact O-N 2.9Å

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