YI029_YEAST Loading...

Putative uncharacterized protein YIL029W-A

AlphaFold DB , UniProt , Accession A0A023PZE9, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 123 aa.

						>YI029_YEAST|A0A023PZE9
MSHLTSAPGFEMSIFFEATHSNRQDSCMYLIEPLHLQGWKRGLSSVASPRQIRQVAPDGASSLKVAVSVSSFATLCSSSLNLETLTSESTSMTFTLLVSLIQLVVLLAKKTVFEISNKELFLT
					

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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	26.6	Very low	32.5	Very low	237 Å²	237	127.4 Å²	127.4	100%	1.167	75%	0.753	S	S	*	*				0	114.8	0	-118.9	164.5	-177.8	0	0	107.4
2	S	27.1	Very low	33.3	Very low	120 Å²	120	119.3 Å²	119.3	84%	0.839	70%	0.703	S	S	*	*			trans	-85.8	117.3	-174.8	27.2	0	0	0	0	110.4
3	H	24.3	Very low	34.2	Very low	173 Å²	173	113.2 Å²	113.2	80%	0.801	67%	0.67	S	S	*	*			trans	-124	133.2	162.3	-80.1	-85.4	0	0	0	109.4
4	L	23	Very low	35.4	Very low	165 Å²	165	108.2 Å²	108.2	86%	0.864	64%	0.638	S	S	*	*			trans	-57.1	139.4	-165.8	-71.6	124.1	0	0	0	113.3	S6	L4-S6 PolarHBondContact O-N 3.25Å
5	T	26.9	Very low	36.5	Very low	143 Å²	143	106.1 Å²	106.1	88%	0.877	62%	0.618	S	S	*	*			trans	-54	95.7	157.3	26.9	0	0	0	0	109.9	A7	T5-A7 PolarHBondContact O-N 2.94Å
6	S	31.9	Very low	37.6	Very low	106 Å²	106	100.3 Å²	100.3	74%	0.741	58%	0.583	S	S	*	*			trans	-67.4	107.2	155.8	53.2	0	0	0	0	107.1	L4	L4-S6 PolarHBondContact O-N 3.25Å
7	A	32.2	Very low	38.1	Very low	86 Å²	86	98.2 Å²	98.2	71%	0.711	57%	0.566	S	S	*	*			trans	-54.2	132.6	156.5	0	0	0	0	0	107.6	T5 G9	T5-A7 PolarHBondContact O-N 2.94Å; A7-G9 PolarHBondContact O-N 3.19Å
8	P	42.9	Very low	38.7	Very low	100 Å²	100	92.9 Å²	92.9	65%	0.649	54%	0.537	S	S	*	.			trans	-61.1	133.6	-175.6	25.8	-32.8	0	0	0	109.2
9	G	36.3	Very low	39.1	Very low	68 Å²	68	89.1 Å²	89.1	70%	0.701	51%	0.514	S	S	*	.			cis	106.1	47.9	32	0	0	0	0	0	109.5	A7	A7-G9 PolarHBondContact O-N 3.19Å
10	F	41.9	Very low	39.8	Very low	76 Å²	76	87.2 Å²	87.2	33%	0.333	50%	0.501	S	S	.	.			trans	-113.8	120.8	177.9	-62.1	-69.1	0	0	0	109.5	S71 V112	F10-S71 VanDerWaalsContact CD1-CB 3.44Å; F10-S71 WeakPolarHBondContact CD1-OG 3.37Å; F10-S71 WeakPolarHBondContact CE1-OG 2.91Å; F10-V112 HydrophobicContact CD2-CG1 3.88Å; F10-V112 HydrophobicContact CD2-CG2 4.07Å; F10-V112 HydrophobicContact CE1-CG2 4.48Å; F10-V112 HydrophobicContact CE2-CB 4.21Å; F10-V112 HydrophobicContact CE2-CG1 3.28Å; F10-V112 HydrophobicContact CE2-CG2 3.82Å; F10-V112 HydrophobicContact CG-CG2 4.5Å; F10-V112 HydrophobicContact CZ-CG1 3.97Å; F10-V112 HydrophobicContact CZ-CG2 4.01Å
11	E	44.5	Very low	40.1	Very low	127 Å²	127	87.6 Å²	87.6	59%	0.593	51%	0.509	S	S	*	.			trans	-89.2	122.7	170	-69.2	-178.2	168	0	0	107.6	S70	E11-S70 PolarHBondContact N-OG 2.85Å; E11-S70 WeakPolarHBondContact O-CB 3.27Å; E11-S70 PolarHBondContact O-N 3.23Å; E11-S70 PolarHBondContact O-OG 3.47Å
12	M	41.8	Very low	41	Very low	31 Å²	31	84.2 Å²	84.2	15%	0.153	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.3	173.4	-179.4	-177.7	-76.1	0	0	108.1	L36 V67 S68 V69 V105 A108	M12-L36 HydrophobicContact CB-CD1 3.95Å; M12-V67 HydrophobicContact CE-CG1 4.48Å; M12-V67 HydrophobicContact CG-CG1 3.84Å; M12-V67 HydrophobicContact SD-CG1 3.99Å; M12-S68 CarbonylContact C-O 3.56Å; M12-S68 VanDerWaalsContact CA-O 3.28Å; M12-S68 WeakPolarHBondContact CA-O 2.85Å; M12-V69 HydrophobicContact CE-CG2 3.62Å; M12-V69 HydrophobicContact CG-CG2 4.18Å; M12-V105 HydrophobicContact CE-CG2 4.04Å; M12-V105 HydrophobicContact SD-CG2 3.85Å; M12-A108 HydrophobicContact CE-CB 4.24Å
13	S	45.3	Very low	41.7	Very low	40 Å²	40	86.9 Å²	86.9	28%	0.28	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.5	177	-59.5	0	0	0	0	109.4	V67 S68	S13-V67 CarbonylContact O-C 3.59Å; S13-V67 WeakPolarHBondContact O-CA 3.3Å; S13-S68 PolarHBondContact N-O 3.45Å; S13-S68 PolarHBondContact O-N 2.95Å
14	I	51.6	Low	42.6	Very low	43 Å²	43	85.8 Å²	85.8	22%	0.221	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.5	174.1	-52	177.7	0	0	0	107.4	F16 V65 A66 V67	I14-F16 HydrophobicContact CB-CE2 4.03Å; I14-F16 HydrophobicContact CG2-CD2 4.24Å; I14-F16 HydrophobicContact CG2-CE1 4.48Å; I14-F16 HydrophobicContact CG2-CE2 3.39Å; I14-F16 HydrophobicContact CG2-CZ 3.57Å; I14-V65 HydrophobicContact CG2-CG1 3.57Å; I14-A66 CarbonylContact C-O 3.43Å; I14-A66 WeakPolarHBondContact CA-O 3.5Å; I14-V67 HydrophobicContact CG1-CG1 4.45Å; I14-V67 HydrophobicContact CG1-CG2 4.32Å; I14-V67 HydrophobicContact CG2-CG2 4.32Å
15	F	50.7	Low	43.3	Very low	77 Å²	77	81.2 Å²	81.2	34%	0.338	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.7	178.3	-54.5	-87.1	0	0	0	109.6	V65 A66	F15-V65 CarbonylContact O-C 3.58Å; F15-V65 WeakPolarHBondContact O-CA 3.43Å; F15-A66 HydrophobicContact CB-CB 4.28Å; F15-A66 PolarHBondContact N-O 3.39Å; F15-A66 PolarHBondContact O-N 3.49Å
16	F	54.4	Low	43.6	Very low	13 Å²	13	78.7 Å²	78.7	6%	0.057	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.6	175.2	-62.9	-97.4	0	0	0	108.2	I14 I31 V55 L63 K64 V65	I14-F16 HydrophobicContact CB-CE2 4.03Å; I14-F16 HydrophobicContact CG2-CD2 4.24Å; I14-F16 HydrophobicContact CG2-CE1 4.48Å; I14-F16 HydrophobicContact CG2-CE2 3.39Å; I14-F16 HydrophobicContact CG2-CZ 3.57Å; F16-I31 HydrophobicContact CD2-CD1 3.72Å; F16-I31 HydrophobicContact CD2-CG1 4.12Å; F16-I31 HydrophobicContact CE2-CD1 3.21Å; F16-I31 HydrophobicContact CE2-CG1 4.04Å; F16-I31 HydrophobicContact CZ-CD1 4.07Å; F16-V55 HydrophobicContact CB-CG1 3.46Å; F16-V55 VanDerWaalsContact CB-CG1 3.46Å; F16-V55 HydrophobicContact CD1-CG1 4.47Å; F16-V55 HydrophobicContact CD2-CG1 4.26Å; F16-V55 HydrophobicContact CG-CG1 3.82Å; F16-L63 HydrophobicContact CB-CD1 4.17Å; F16-L63 HydrophobicContact CD1-CD1 4.1Å; F16-L63 HydrophobicContact CD1-CD2 3.97Å; F16-L63 HydrophobicContact CD1-CG 4.16Å; F16-L63 HydrophobicContact CE1-CD2 4.41Å; F16-K64 CarbonylContact C-O 3.51Å; F16-K64 VanDerWaalsContact CA-O 3.3Å; F16-K64 WeakPolarHBondContact CA-O 3.22Å; F16-V65 HydrophobicContact CD1-CG1 4.4Å; F16-V65 HydrophobicContact CD1-CG2 3.66Å; F16-V65 HydrophobicContact CE1-CB 4.46Å; F16-V65 HydrophobicContact CE1-CG1 4.02Å; F16-V65 HydrophobicContact CE1-CG2 3.64Å; F16-V65 HydrophobicContact CZ-CG1 4.27Å
17	E	46.1	Very low	43.7	Very low	64 Å²	64	76.1 Å²	76.1	30%	0.299	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.2	174.4	177.2	-169	-175.7	0	0	107.5	L63 K64	E17-L63 CarbonylContact O-C 3.59Å; E17-K64 HydrophobicContact CB-CB 4.01Å; E17-K64 PolarHBondContact N-O 2.91Å; E17-K64 PolarHBondContact O-N 3.11Å; E17-K64 VanDerWaalsContact OE2-CD 3.32Å; E17-K64 WeakPolarHBondContact OE2-CD 3.29Å; E17-K64 IonicContact OE2-NZ 3.9Å
18	A	48.3	Very low	43.9	Very low	4 Å²	4	78.9 Å²	78.9	3%	0.033	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.1	-179.5	0	0	0	0	0	110	A56 A60 S62 L63	A18-A56 HydrophobicContact CB-CB 4.49Å; A18-A60 HydrophobicContact CB-CB 3.87Å; A18-S62 CarbonylContact C-O 3.55Å; A18-S62 WeakPolarHBondContact CA-O 3.43Å; A18-L63 HydrophobicContact CB-CD1 4.38Å
19	T	47.2	Very low	43.5	Very low	19 Å²	19	77.3 Å²	77.3	12%	0.117	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	-179.5	-10.4	0	0	0	0	110.1	Q24 S61 S62	T19-Q24 HydrophobicContact CG2-CG 3.86Å; T19-S61 CarbonylContact O-C 3.51Å; T19-S61 WeakPolarHBondContact O-CA 3.35Å; T19-S61 WeakPolarHBondContact O-CB 3.47Å; T19-S61 PolarHBondContact O-N 2.96Å; T19-S61 PolarHBondContact O-OG 2.86Å; T19-S62 VanDerWaalsContact CB-OG 3.22Å; T19-S62 WeakPolarHBondContact CB-OG 3.21Å; T19-S62 PolarHBondContact N-O 3.22Å; T19-S62 PolarHBondContact O-N 3Å; T19-S62 PolarHBondContact OG1-OG 3.18Å
20	H	53.4	Low	43.3	Very low	52 Å²	52	80.3 Å²	80.3	24%	0.241	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	150	174.1	-73.9	-98.6	0	0	0	111	N22 R23 G59 A60	H20-N22 PolarHBondContact O-N 3.2Å; H20-R23 PolarHBondContact N-O 3.09Å; H20-R23 PolarHBondContact O-N 2.89Å; H20-R23 VanDerWaalsContact O-N 3.16Å; H20-R23 VanDerWaalsContact O-O 3.11Å; H20-G59 PolarHBondContact ND1-O 3.34Å; H20-A60 VanDerWaalsContact CE1-CA 3.49Å; H20-A60 WeakPolarHBondContact CE1-CA 3.49Å; H20-A60 PolarHBondContact CE1-N 3.05Å; H20-A60 PolarHBondContact ND1-N 2.75Å
21	S	46.5	Very low	43.1	Very low	96 Å²	96	79.7 Å²	79.7	67%	0.671	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-3.1	-170.6	47.5	0	0	0	0	116.1	S61	S21-S61 PolarHBondContact N-OG 3.47Å
22	N	44.2	Very low	42.6	Very low	166 Å²	166	81.7 Å²	81.7	89%	0.888	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.2	15.3	170.2	-93	-32.6	0	0	0	114.3	H20	H20-N22 PolarHBondContact O-N 3.2Å
23	R	42.2	Very low	42.3	Very low	175 Å²	175	83.3 Å²	83.3	66%	0.66	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-151.8	127.1	175.3	-100	-173.6	175.5	-179.6	-3.7	110.8	H20 D25	H20-R23 PolarHBondContact N-O 3.09Å; H20-R23 PolarHBondContact O-N 2.89Å; H20-R23 VanDerWaalsContact O-N 3.16Å; H20-R23 VanDerWaalsContact O-O 3.11Å; R23-D25 WeakPolarHBondContact CD-OD2 3.28Å; R23-D25 PolarHBondContact O-N 3.29Å; R23-D25 VanDerWaalsContact O-N 3.07Å
24	Q	43.8	Very low	41.9	Very low	150 Å²	150	85.9 Å²	85.9	70%	0.701	44%	0.441	S	S	*	.			trans	-78	75.1	160.7	-80.7	-174.2	-5.5	0	0	108.4	T19 S26	T19-Q24 HydrophobicContact CG2-CG 3.86Å; Q24-S26 PolarHBondContact O-N 3.35Å
25	D	36.2	Very low	40.8	Very low	70 Å²	70	90.8 Å²	90.8	37%	0.374	46%	0.463	S	S	.	.			trans	-82.2	94.7	166.2	-72.9	-29.3	0	0	0	107	R23 C27	R23-D25 WeakPolarHBondContact CD-OD2 3.28Å; R23-D25 PolarHBondContact O-N 3.29Å; R23-D25 VanDerWaalsContact O-N 3.07Å; D25-C27 PolarHBondContact O-N 3.33Å
26	S	34.9	Very low	40	Very low	89 Å²	89	90.2 Å²	90.2	62%	0.622	46%	0.463	S	S	*	.			trans	-73.7	81.6	174.3	35.1	0	0	0	0	108.9	Q24 M28	Q24-S26 PolarHBondContact O-N 3.35Å; S26-M28 PolarHBondContact O-N 3.01Å
27	C	34.3	Very low	38.9	Very low	53 Å²	53	98.3 Å²	98.3	36%	0.358	50%	0.501	S	S	.	.			trans	-77	107.8	170.1	-66.7	0	0	0	0	108.3	D25 Y29	D25-C27 PolarHBondContact O-N 3.33Å; C27-Y29 HydrophobicContact CB-CD2 3.85Å; C27-Y29 HydrophobicContact CB-CE2 3.22Å; C27-Y29 VanDerWaalsContact O-CD2 3.3Å; C27-Y29 WeakPolarHBondContact O-CD2 3.18Å; C27-Y29 PolarHBondContact O-N 2.7Å
28	M	34.5	Very low	38	Very low	144 Å²	144	98 Å²	98	71%	0.709	52%	0.515	S	S	*	.			trans	-75	91.9	172.4	-164	-170.3	-47.4	0	0	108.3	S26 L30	S26-M28 PolarHBondContact O-N 3.01Å; M28-L30 PolarHBondContact O-N 2.89Å; M28-L30 VanDerWaalsContact O-N 3.1Å
29	Y	35.7	Very low	37.2	Very low	66 Å²	66	102.2 Å²	102.2	26%	0.259	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	96.5	170.5	-66.7	-86.1	0	0	0	108.4	C27 I31 V55 P57	C27-Y29 HydrophobicContact CB-CD2 3.85Å; C27-Y29 HydrophobicContact CB-CE2 3.22Å; C27-Y29 VanDerWaalsContact O-CD2 3.3Å; C27-Y29 WeakPolarHBondContact O-CD2 3.18Å; C27-Y29 PolarHBondContact O-N 2.7Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.1Å; Y29-V55 HydrophobicContact CD1-CG1 4.24Å; Y29-V55 HydrophobicContact CD2-CG1 3.67Å; Y29-V55 VanDerWaalsContact CD2-O 3.32Å; Y29-V55 WeakPolarHBondContact CD2-O 3.33Å; Y29-V55 HydrophobicContact CE2-CG1 4.38Å; Y29-V55 WeakPolarHBondContact CE2-O 3.44Å; Y29-V55 HydrophobicContact CG-CB 4.4Å; Y29-V55 HydrophobicContact CG-CG1 3.59Å; Y29-P57 VanDerWaalsContact OH-CD 3.31Å; Y29-P57 WeakPolarHBondContact OH-CD 3.49Å
30	L	32.3	Very low	36.3	Very low	132 Å²	132	110.9 Å²	110.9	69%	0.691	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.9	92.8	161.8	-90.3	146.7	0	0	0	107.1	M28 E32	M28-L30 PolarHBondContact O-N 2.89Å; M28-L30 VanDerWaalsContact O-N 3.1Å; L30-E32 PolarHBondContact O-N 3.15Å; L30-E32 VanDerWaalsContact O-N 3.15Å
31	I	38.2	Very low	35	Very low	63 Å²	63	119.4 Å²	119.4	32%	0.323	60%	0.596	S	S	.	*			trans	-63.2	113.9	152.4	-56.2	-161	0	0	0	103.7	F16 Y29 L34	F16-I31 HydrophobicContact CD2-CD1 3.72Å; F16-I31 HydrophobicContact CD2-CG1 4.12Å; F16-I31 HydrophobicContact CE2-CD1 3.21Å; F16-I31 HydrophobicContact CE2-CG1 4.04Å; F16-I31 HydrophobicContact CZ-CD1 4.07Å; Y29-I31 VanDerWaalsContact C-N 3.26Å; Y29-I31 PolarHBondContact O-N 3.1Å; I31-L34 HydrophobicContact CG2-CD1 4.18Å
32	E	33.6	Very low	34	Very low	168 Å²	168	117.3 Å²	117.3	79%	0.785	59%	0.59	S	S	*	*			trans	-40	131.5	171.7	-80.4	-172.3	150.6	0	0	108.1	L30 L34	L30-E32 PolarHBondContact O-N 3.15Å; L30-E32 VanDerWaalsContact O-N 3.15Å; E32-L34 PolarHBondContact O-N 2.73Å
33	P	35.9	Very low	33.5	Very low	65 Å²	65	111.7 Å²	111.7	42%	0.422	56%	0.56	S	S	.	*			trans	-49.8	109.1	-176.1	19.6	-30.6	0	0	0	106.8	H35	P33-H35 PolarHBondContact O-N 2.75Å
34	L	35.7	Very low	32.9	Very low	95 Å²	95	108.6 Å²	108.6	50%	0.497	57%	0.565	S	S	.	*			trans	-58.4	99.1	179.1	-113.6	142.6	0	0	0	103.8	I31 E32 L36	I31-L34 HydrophobicContact CG2-CD1 4.18Å; E32-L34 PolarHBondContact O-N 2.73Å; L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 WeakPolarHBondContact O-CG 3.38Å; L34-L36 PolarHBondContact O-N 3.26Å
35	H	30	Very low	32.4	Very low	145 Å²	145	105.6 Å²	105.6	67%	0.671	56%	0.561	S	S	*	*			trans	-62.8	95.5	-176.6	-106	-148.4	0	0	0	106.2	P33 Q37	P33-H35 PolarHBondContact O-N 2.75Å; H35-Q37 PolarHBondContact O-N 2.79Å
36	L	33.5	Very low	32.5	Very low	66 Å²	66	104.9 Å²	104.9	35%	0.346	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-67.9	12.5	-177.8	-75.9	170.1	0	0	0	112.4	M12 L34 G38 W39	M12-L36 HydrophobicContact CB-CD1 3.95Å; L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 WeakPolarHBondContact O-CG 3.38Å; L34-L36 PolarHBondContact O-N 3.26Å; L36-G38 PolarHBondContact O-N 2.82Å; L36-W39 HydrophobicContact CD2-CD2 3.44Å; L36-W39 VanDerWaalsContact CD2-CD2 3.44Å; L36-W39 HydrophobicContact CD2-CE3 3.62Å; L36-W39 HydrophobicContact CD2-CG 3.88Å; L36-W39 HydrophobicContact CD2-CH2 4.12Å; L36-W39 HydrophobicContact CD2-CZ2 3.99Å; L36-W39 HydrophobicContact CD2-CZ3 3.92Å
37	Q	30.3	Very low	32.9	Very low	183 Å²	183	102.1 Å²	102.1	86%	0.855	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-69.2	-7.6	172.6	-89.9	-169.6	-19.8	0	0	113.7	H35	H35-Q37 PolarHBondContact O-N 2.79Å
38	G	28.7	Very low	33.1	Very low	58 Å²	58	102 Å²	102	60%	0.598	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-110.3	-5.1	-176.3	0	0	0	0	0	116.9	L36 K40	L36-G38 PolarHBondContact O-N 2.82Å; G38-K40 PolarHBondContact O-N 2.83Å
39	W	29.6	Very low	33.3	Very low	92 Å²	92	98.8 Å²	98.8	35%	0.348	53%	0.531	S	S	.	.			trans	-77	56.7	-175.5	-79.6	22.7	0	0	0	112.8	L36 L43	L36-W39 HydrophobicContact CD2-CD2 3.44Å; L36-W39 VanDerWaalsContact CD2-CD2 3.44Å; L36-W39 HydrophobicContact CD2-CE3 3.62Å; L36-W39 HydrophobicContact CD2-CG 3.88Å; L36-W39 HydrophobicContact CD2-CH2 4.12Å; L36-W39 HydrophobicContact CD2-CZ2 3.99Å; L36-W39 HydrophobicContact CD2-CZ3 3.92Å; W39-L43 HydrophobicContact CE3-CD2 4.1Å; W39-L43 HydrophobicContact CE3-CG 4.4Å; W39-L43 HydrophobicContact CH2-CD2 3.7Å; W39-L43 HydrophobicContact CZ3-CD2 3.25Å; W39-L43 HydrophobicContact CZ3-CG 4Å
40	K	28.8	Very low	33.4	Very low	200 Å²	200	105.8 Å²	105.8	87%	0.87	56%	0.557	S	S	*	*	S	Bend	trans	-82.8	-7.3	172.5	-85.1	-170.1	176	-180	0	113.8	G38	G38-K40 PolarHBondContact O-N 2.83Å
41	R	25.5	Very low	34	Very low	231 Å²	231	104.6 Å²	104.6	87%	0.872	55%	0.548	S	S	*	.	S	Bend	trans	-148.4	102.3	176.3	-71.4	-173	179.3	170.8	-0.7	111
42	G	27	Very low	34.3	Very low	53 Å²	53	102.8 Å²	102.8	55%	0.546	54%	0.538	S	S	.	.			trans	71.9	132.7	161.4	0	0	0	0	0	115.5	S44	G42-S44 PolarHBondContact O-N 3.46Å
43	L	33.9	Very low	34.6	Very low	47 Å²	47	103.5 Å²	103.5	25%	0.246	53%	0.534	C	S	.	.	S	Bend	trans	-63.8	30.9	161.9	-83.8	145.9	0	0	0	112.5	W39 S45 V105	W39-L43 HydrophobicContact CE3-CD2 4.1Å; W39-L43 HydrophobicContact CE3-CG 4.4Å; W39-L43 HydrophobicContact CH2-CD2 3.7Å; W39-L43 HydrophobicContact CZ3-CD2 3.25Å; W39-L43 HydrophobicContact CZ3-CG 4Å; L43-S45 PolarHBondContact O-N 2.92Å; L43-V105 HydrophobicContact CD2-CG1 4.15Å
44	S	28.7	Very low	35.1	Very low	111 Å²	111	108 Å²	108	78%	0.776	55%	0.549	S	S	*	.			trans	-84.7	-6.5	-167.5	49.9	0	0	0	0	114.6	G42	G42-S44 PolarHBondContact O-N 3.46Å
45	S	33.6	Very low	35.6	Very low	86 Å²	86	104.2 Å²	104.2	60%	0.601	53%	0.53	S	S	*	.			trans	-114.8	60.4	170.7	75.5	0	0	0	0	110.9	L43 A47	L43-S45 PolarHBondContact O-N 2.92Å; S45-A47 PolarHBondContact O-N 3.19Å
46	V	38.1	Very low	36.5	Very low	55 Å²	55	97.9 Å²	97.9	33%	0.333	50%	0.503	S	S	.	.			trans	-57	131.9	155.7	179.7	0	0	0	0	106.5	S48 V98	V46-S48 PolarHBondContact O-N 2.94Å; V46-S48 VanDerWaalsContact O-N 3.13Å; V46-V98 HydrophobicContact CB-CG1 4.32Å; V46-V98 HydrophobicContact CG1-CB 4.39Å; V46-V98 HydrophobicContact CG1-CG1 3.78Å; V46-V98 HydrophobicContact CG1-CG2 3.8Å; V46-V98 HydrophobicContact CG2-CG1 3.97Å
47	A	43.9	Very low	37.1	Very low	32 Å²	32	97.2 Å²	97.2	26%	0.264	50%	0.503	S	S	.	.			trans	-40.1	122.2	-178.4	0	0	0	0	0	110.4	S45 Q51 I52	S45-A47 PolarHBondContact O-N 3.19Å; A47-Q51 HydrophobicContact CB-CB 4.22Å; A47-I52 HydrophobicContact CB-CD1 4.28Å; A47-I52 HydrophobicContact CB-CG1 4.11Å
48	S	38.8	Very low	38	Very low	49 Å²	49	96.8 Å²	96.8	34%	0.343	51%	0.506	S	S	.	.			trans	-58.7	150.8	-178.4	71.5	0	0	0	0	109	V46 R50 Q51 I52	V46-S48 PolarHBondContact O-N 2.94Å; V46-S48 VanDerWaalsContact O-N 3.13Å; S48-R50 PolarHBondContact O-N 3.39Å; S48-Q51 WeakPolarHBondContact O-CA 3.42Å; S48-Q51 WeakPolarHBondContact O-CB 3.03Å; S48-Q51 PolarHBondContact O-N 2.89Å; S48-Q51 PolarHBondContact OG-N 3.46Å; S48-I52 PolarHBondContact O-N 3.14Å
49	P	38.3	Very low	39.1	Very low	77 Å²	77	96.7 Å²	96.7	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-50.5	-28.4	176.1	-27.7	33.4	0	0	0	113.3	I52 R53 F94	P49-I52 PolarHBondContact O-N 3.11Å; P49-R53 WeakPolarHBondContact O-CG 3.39Å; P49-R53 PolarHBondContact O-N 2.79Å; P49-F94 HydrophobicContact CB-CZ 4.33Å; P49-F94 HydrophobicContact CG-CE1 3.98Å; P49-F94 HydrophobicContact CG-CZ 3.89Å
50	R	37.6	Very low	40.3	Very low	213 Å²	213	93 Å²	93	80%	0.804	49%	0.494	S	S	*	.	H	α-helix	trans	-64.6	-41	172.2	-81.1	-175.1	175.7	-170.9	-1.4	113.7	S48 I52 R53 Q54	S48-R50 PolarHBondContact O-N 3.39Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-R53 PolarHBondContact O-N 2.87Å; R50-Q54 PolarHBondContact O-N 2.9Å
51	Q	44.3	Very low	41.6	Very low	107 Å²	107	84.9 Å²	84.9	50%	0.5	46%	0.463	S	S	.	.	H	α-helix	trans	-68	-33.8	178	-73.7	172.9	-56.1	0	0	111.3	A47 S48 Q54 V55	A47-Q51 HydrophobicContact CB-CB 4.22Å; S48-Q51 WeakPolarHBondContact O-CA 3.42Å; S48-Q51 WeakPolarHBondContact O-CB 3.03Å; S48-Q51 PolarHBondContact O-N 2.89Å; S48-Q51 PolarHBondContact OG-N 3.46Å; Q51-Q54 PolarHBondContact O-N 3.28Å; Q51-V55 WeakPolarHBondContact O-CG2 2.84Å
52	I	44.4	Very low	42.8	Very low	25 Å²	25	75 Å²	75	13%	0.128	43%	0.429	C	S	.	.	H	α-helix	trans	-75.2	-35.9	175.3	-63.8	166.9	0	0	0	111.1	A47 S48 P49 R50 Q54 V55 A56 L63 F94	A47-I52 HydrophobicContact CB-CD1 4.28Å; A47-I52 HydrophobicContact CB-CG1 4.11Å; S48-I52 PolarHBondContact O-N 3.14Å; P49-I52 PolarHBondContact O-N 3.11Å; R50-I52 VanDerWaalsContact C-N 3.31Å; I52-Q54 VanDerWaalsContact C-N 3.29Å; I52-Q54 PolarHBondContact O-N 2.77Å; I52-V55 WeakPolarHBondContact O-CB 3.31Å; I52-V55 PolarHBondContact O-N 3.23Å; I52-A56 PolarHBondContact O-N 2.91Å; I52-A56 VanDerWaalsContact O-N 3.08Å; I52-L63 HydrophobicContact CG2-CD2 3.75Å; I52-F94 HydrophobicContact CD1-CE2 3.56Å; I52-F94 HydrophobicContact CD1-CZ 3.73Å
53	R	40.6	Very low	44.1	Very low	183 Å²	183	72.7 Å²	72.7	69%	0.691	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-28.6	170.8	-79.7	-171.7	-173.5	-162.7	1.5	113.6	P49 R50 V55	P49-R53 WeakPolarHBondContact O-CG 3.39Å; P49-R53 PolarHBondContact O-N 2.79Å; R50-R53 PolarHBondContact O-N 2.87Å; R53-V55 PolarHBondContact O-N 2.94Å
54	Q	45.9	Very low	45	Very low	159 Å²	159	73.7 Å²	73.7	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-67.7	-23.4	171.4	-85.8	-178.6	-31.4	0	0	112.9	R50 Q51 I52	R50-Q54 PolarHBondContact O-N 2.9Å; Q51-Q54 PolarHBondContact O-N 3.28Å; I52-Q54 VanDerWaalsContact C-N 3.29Å; I52-Q54 PolarHBondContact O-N 2.77Å
55	V	47.2	Very low	46.2	Very low	17 Å²	17	68.6 Å²	68.6	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-91.3	-27.9	-178.2	174.9	0	0	0	0	111.7	F16 Y29 Q51 I52 R53 P57	F16-V55 HydrophobicContact CB-CG1 3.46Å; F16-V55 VanDerWaalsContact CB-CG1 3.46Å; F16-V55 HydrophobicContact CD1-CG1 4.47Å; F16-V55 HydrophobicContact CD2-CG1 4.26Å; F16-V55 HydrophobicContact CG-CG1 3.82Å; Y29-V55 HydrophobicContact CD1-CG1 4.24Å; Y29-V55 HydrophobicContact CD2-CG1 3.67Å; Y29-V55 VanDerWaalsContact CD2-O 3.32Å; Y29-V55 WeakPolarHBondContact CD2-O 3.33Å; Y29-V55 HydrophobicContact CE2-CG1 4.38Å; Y29-V55 WeakPolarHBondContact CE2-O 3.44Å; Y29-V55 HydrophobicContact CG-CB 4.4Å; Y29-V55 HydrophobicContact CG-CG1 3.59Å; Q51-V55 WeakPolarHBondContact O-CG2 2.84Å; I52-V55 WeakPolarHBondContact O-CB 3.31Å; I52-V55 PolarHBondContact O-N 3.23Å; R53-V55 PolarHBondContact O-N 2.94Å; V55-P57 VanDerWaalsContact O-CD 3.31Å; V55-P57 WeakPolarHBondContact O-CD 3.3Å
56	A	47.4	Very low	47	Very low	12 Å²	12	65.3 Å²	65.3	10%	0.099	35%	0.349	C	S	.	.	S	Bend	trans	-104.1	97	172.7	0	0	0	0	0	109.5	A18 I52 A60 L63 L82	A18-A56 HydrophobicContact CB-CB 4.49Å; I52-A56 PolarHBondContact O-N 2.91Å; I52-A56 VanDerWaalsContact O-N 3.08Å; A56-A60 HydrophobicContact CB-CB 4.48Å; A56-L63 HydrophobicContact CB-CD1 4.2Å; A56-L82 HydrophobicContact CB-CD1 4.28Å
57	P	47.2	Very low	47.5	Very low	52 Å²	52	63 Å²	63	34%	0.338	34%	0.335	S	S	.	.			trans	-57.5	149	178.6	23.1	-31.1	0	0	0	110.6	Y29 V55 G59 A60	Y29-P57 VanDerWaalsContact OH-CD 3.31Å; Y29-P57 WeakPolarHBondContact OH-CD 3.49Å; V55-P57 VanDerWaalsContact O-CD 3.31Å; V55-P57 WeakPolarHBondContact O-CD 3.3Å; P57-G59 PolarHBondContact O-N 3.05Å; P57-A60 PolarHBondContact O-N 3.07Å
58	D	48.9	Very low	47.6	Very low	173 Å²	173	63.4 Å²	63.4	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	124.1	-178.2	-77.1	-33.9	0	0	0	110.6
59	G	50.8	Low	47.9	Very low	56 Å²	56	61.8 Å²	61.8	58%	0.577	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.8	-0.8	-179.5	0	0	0	0	0	116.3	H20 P57	H20-G59 PolarHBondContact ND1-O 3.34Å; P57-G59 PolarHBondContact O-N 3.05Å
60	A	55.5	Low	48.3	Very low	14 Å²	14	61.5 Å²	61.5	12%	0.116	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.3	172.6	0	0	0	0	0	111.1	A18 H20 A56 P57 L82	A18-A60 HydrophobicContact CB-CB 3.87Å; H20-A60 VanDerWaalsContact CE1-CA 3.49Å; H20-A60 WeakPolarHBondContact CE1-CA 3.49Å; H20-A60 PolarHBondContact CE1-N 3.05Å; H20-A60 PolarHBondContact ND1-N 2.75Å; A56-A60 HydrophobicContact CB-CB 4.48Å; P57-A60 PolarHBondContact O-N 3.07Å; A60-L82 VanDerWaalsContact C-CD1 3.43Å; A60-L82 HydrophobicContact CB-CD1 3.42Å; A60-L82 VanDerWaalsContact CB-CD1 3.42Å; A60-L82 WeakPolarHBondContact O-CB 3.42Å; A60-L82 WeakPolarHBondContact O-CD1 3.26Å
61	S	56.6	Low	48.3	Very low	31 Å²	31	53.7 Å²	53.7	22%	0.217	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-20.3	-176.3	69	0	0	0	0	113.8	T19 S21 N81 L82	T19-S61 CarbonylContact O-C 3.51Å; T19-S61 WeakPolarHBondContact O-CA 3.35Å; T19-S61 WeakPolarHBondContact O-CB 3.47Å; T19-S61 PolarHBondContact O-N 2.96Å; T19-S61 PolarHBondContact O-OG 2.86Å; S21-S61 PolarHBondContact N-OG 3.47Å; S61-N81 PolarHBondContact O-OD1 3.4Å; S61-L82 PolarHBondContact O-N 3.05Å
62	S	51.4	Low	48	Very low	24 Å²	24	53.2 Å²	53.2	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.8	169	46.2	0	0	0	0	112.8	A18 T19 L80	A18-S62 CarbonylContact C-O 3.55Å; A18-S62 WeakPolarHBondContact CA-O 3.43Å; T19-S62 VanDerWaalsContact CB-OG 3.22Å; T19-S62 WeakPolarHBondContact CB-OG 3.21Å; T19-S62 PolarHBondContact N-O 3.22Å; T19-S62 PolarHBondContact O-N 3Å; T19-S62 PolarHBondContact OG1-OG 3.18Å; S62-L80 CarbonylContact C-O 3.31Å; S62-L80 VanDerWaalsContact C-O 3.31Å; S62-L80 WeakPolarHBondContact CA-O 3.32Å; S62-L80 WeakPolarHBondContact CB-O 3.3Å
63	L	53	Low	47.4	Very low	3 Å²	3	56.8 Å²	56.8	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108.4	176.5	-172.8	76.8	0	0	0	108.6	F16 E17 A18 I52 A56 V65 L80 L82	F16-L63 HydrophobicContact CB-CD1 4.17Å; F16-L63 HydrophobicContact CD1-CD1 4.1Å; F16-L63 HydrophobicContact CD1-CD2 3.97Å; F16-L63 HydrophobicContact CD1-CG 4.16Å; F16-L63 HydrophobicContact CE1-CD2 4.41Å; E17-L63 CarbonylContact O-C 3.59Å; A18-L63 HydrophobicContact CB-CD1 4.38Å; I52-L63 HydrophobicContact CG2-CD2 3.75Å; A56-L63 HydrophobicContact CB-CD1 4.2Å; L63-V65 HydrophobicContact CD2-CG2 4.19Å; L63-V65 HydrophobicContact CG-CG2 4.28Å; L63-L80 HydrophobicContact CB-CB 4.31Å; L63-L80 PolarHBondContact N-O 2.81Å; L63-L80 PolarHBondContact O-N 2.84Å; L63-L82 HydrophobicContact CB-CD1 4.31Å; L63-L82 HydrophobicContact CB-CG 4.42Å
64	K	52.3	Low	47.2	Very low	68 Å²	68	51.7 Å²	51.7	30%	0.296	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.7	168.2	-83.3	174.4	-178.3	176.1	0	109.3	F16 E17 S78 S79	F16-K64 CarbonylContact C-O 3.51Å; F16-K64 VanDerWaalsContact CA-O 3.3Å; F16-K64 WeakPolarHBondContact CA-O 3.22Å; E17-K64 HydrophobicContact CB-CB 4.01Å; E17-K64 PolarHBondContact N-O 2.91Å; E17-K64 PolarHBondContact O-N 3.11Å; E17-K64 VanDerWaalsContact OE2-CD 3.32Å; E17-K64 WeakPolarHBondContact OE2-CD 3.29Å; E17-K64 IonicContact OE2-NZ 3.9Å; K64-S78 VanDerWaalsContact CA-O 3.31Å; K64-S78 WeakPolarHBondContact CA-O 3.37Å; K64-S79 VanDerWaalsContact CG-OG 3.26Å; K64-S79 WeakPolarHBondContact CG-OG 3.4Å
65	V	54	Low	46.8	Very low	5 Å²	5	50.1 Å²	50.1	3%	0.03	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.2	173.1	-174	0	0	0	0	108.4	I14 F15 F16 L63 S77 S78 L97 I101	I14-V65 HydrophobicContact CG2-CG1 3.57Å; F15-V65 CarbonylContact O-C 3.58Å; F15-V65 WeakPolarHBondContact O-CA 3.43Å; F16-V65 HydrophobicContact CD1-CG1 4.4Å; F16-V65 HydrophobicContact CD1-CG2 3.66Å; F16-V65 HydrophobicContact CE1-CB 4.46Å; F16-V65 HydrophobicContact CE1-CG1 4.02Å; F16-V65 HydrophobicContact CE1-CG2 3.64Å; F16-V65 HydrophobicContact CZ-CG1 4.27Å; L63-V65 HydrophobicContact CD2-CG2 4.19Å; L63-V65 HydrophobicContact CG-CG2 4.28Å; V65-S77 VanDerWaalsContact O-CA 3.29Å; V65-S77 WeakPolarHBondContact O-CA 3.35Å; V65-S78 PolarHBondContact N-O 3.33Å; V65-S78 PolarHBondContact O-N 3.42Å; V65-S78 VanDerWaalsContact O-N 3.11Å; V65-L97 HydrophobicContact CG2-CD1 4.29Å; V65-L97 HydrophobicContact CG2-CD2 4.02Å; V65-I101 HydrophobicContact CG1-CD1 4.24Å
66	A	51	Low	46.4	Very low	17 Å²	17	51.5 Å²	51.5	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.2	173.4	0	0	0	0	0	109.6	I14 F15 L75	I14-A66 CarbonylContact C-O 3.43Å; I14-A66 WeakPolarHBondContact CA-O 3.5Å; F15-A66 HydrophobicContact CB-CB 4.28Å; F15-A66 PolarHBondContact N-O 3.39Å; F15-A66 PolarHBondContact O-N 3.49Å; A66-L75 HydrophobicContact CB-CD2 3.85Å
67	V	48.8	Very low	46.2	Very low	5 Å²	5	55 Å²	55	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.9	175.6	-175.2	0	0	0	0	108.1	M12 S13 I14 V104	M12-V67 HydrophobicContact CE-CG1 4.48Å; M12-V67 HydrophobicContact CG-CG1 3.84Å; M12-V67 HydrophobicContact SD-CG1 3.99Å; S13-V67 CarbonylContact O-C 3.59Å; S13-V67 WeakPolarHBondContact O-CA 3.3Å; I14-V67 HydrophobicContact CG1-CG1 4.45Å; I14-V67 HydrophobicContact CG1-CG2 4.32Å; I14-V67 HydrophobicContact CG2-CG2 4.32Å; V67-V104 HydrophobicContact CG1-CG1 4.41Å
68	S	45.8	Very low	46	Very low	41 Å²	41	54.3 Å²	54.3	29%	0.287	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	173.4	-175.8	0	0	0	0	109.1	M12 S13	M12-S68 CarbonylContact C-O 3.56Å; M12-S68 VanDerWaalsContact CA-O 3.28Å; M12-S68 WeakPolarHBondContact CA-O 2.85Å; S13-S68 PolarHBondContact N-O 3.45Å; S13-S68 PolarHBondContact O-N 2.95Å
69	V	45.4	Very low	45.9	Very low	15 Å²	15	49.9 Å²	49.9	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	176.4	-174.1	0	0	0	0	107.2	M12 S71 F72 A108	M12-V69 HydrophobicContact CE-CG2 3.62Å; M12-V69 HydrophobicContact CG-CG2 4.18Å; V69-S71 PolarHBondContact O-N 2.81Å; V69-F72 CarbonylContact O-C 3.31Å; V69-F72 VanDerWaalsContact O-C 3.31Å; V69-F72 PolarHBondContact O-N 2.89Å; V69-A108 HydrophobicContact CG2-CB 4.49Å
70	S	45.7	Very low	45.9	Very low	72 Å²	72	47.9 Å²	47.9	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.3	-167.6	61.3	0	0	0	0	116.1	E11	E11-S70 PolarHBondContact N-OG 2.85Å; E11-S70 WeakPolarHBondContact O-CB 3.27Å; E11-S70 PolarHBondContact O-N 3.23Å; E11-S70 PolarHBondContact O-OG 3.47Å
71	S	38.2	Very low	45.7	Very low	49 Å²	49	51 Å²	51	34%	0.343	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-12.2	179.5	50.6	0	0	0	0	115.1	F10 V69	F10-S71 VanDerWaalsContact CD1-CB 3.44Å; F10-S71 WeakPolarHBondContact CD1-OG 3.37Å; F10-S71 WeakPolarHBondContact CE1-OG 2.91Å; V69-S71 PolarHBondContact O-N 2.81Å
72	F	38.4	Very low	45.5	Very low	97 Å²	97	50.9 Å²	50.9	43%	0.425	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	110.3	178.5	-80.4	-89.4	0	0	0	108.6	V69 T74 I115	V69-F72 CarbonylContact O-C 3.31Å; V69-F72 VanDerWaalsContact O-C 3.31Å; V69-F72 PolarHBondContact O-N 2.89Å; F72-T74 PolarHBondContact O-N 3.1Å; F72-I115 HydrophobicContact CD2-CD1 4.44Å; F72-I115 HydrophobicContact CE1-CD1 4.45Å; F72-I115 HydrophobicContact CE2-CD1 3.25Å; F72-I115 HydrophobicContact CZ-CD1 3.26Å
73	A	32.1	Very low	45.5	Very low	100 Å²	100	57 Å²	57	83%	0.826	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	87	168.2	0	0	0	0	0	108.9
74	T	35.9	Very low	45.1	Very low	76 Å²	76	59.9 Å²	59.9	47%	0.466	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	85.8	170.4	-50.5	0	0	0	0	108.3	F72 C76	F72-T74 PolarHBondContact O-N 3.1Å; T74-C76 PolarHBondContact O-N 3.39Å; T74-C76 VanDerWaalsContact O-N 3.11Å
75	L	37.1	Very low	44.8	Very low	126 Å²	126	58.2 Å²	58.2	66%	0.66	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	94.8	168.5	-95.7	118.3	0	0	0	109.1	A66 S77	A66-L75 HydrophobicContact CB-CD2 3.85Å; L75-S77 PolarHBondContact O-N 2.84Å
76	C	38.5	Very low	44.4	Very low	46 Å²	46	63.7 Å²	63.7	31%	0.311	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	101	160.4	-66.3	0	0	0	0	107.7	T74 V104	T74-C76 PolarHBondContact O-N 3.39Å; T74-C76 VanDerWaalsContact O-N 3.11Å; C76-V104 HydrophobicContact CB-CG2 4.14Å
77	S	43	Very low	44	Very low	84 Å²	84	65.3 Å²	65.3	59%	0.587	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	116	172.6	65.3	0	0	0	0	110.1	V65 L75	V65-S77 VanDerWaalsContact O-CA 3.29Å; V65-S77 WeakPolarHBondContact O-CA 3.35Å; L75-S77 PolarHBondContact O-N 2.84Å
78	S	44	Very low	43.7	Very low	39 Å²	39	74.5 Å²	74.5	27%	0.273	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	170.3	-69.8	0	0	0	0	109.7	K64 V65	K64-S78 VanDerWaalsContact CA-O 3.31Å; K64-S78 WeakPolarHBondContact CA-O 3.37Å; V65-S78 PolarHBondContact N-O 3.33Å; V65-S78 PolarHBondContact O-N 3.42Å; V65-S78 VanDerWaalsContact O-N 3.11Å
79	S	45.8	Very low	43.6	Very low	79 Å²	79	76 Å²	76	55%	0.552	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.5	177.2	-53.1	0	0	0	0	108.9	K64	K64-S79 VanDerWaalsContact CG-OG 3.26Å; K64-S79 WeakPolarHBondContact CG-OG 3.4Å
80	L	52.2	Low	43.6	Very low	14 Å²	14	76.9 Å²	76.9	7%	0.073	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.3	170.4	-90	162.2	0	0	0	109.6	S62 L63 T93 L97	S62-L80 CarbonylContact C-O 3.31Å; S62-L80 VanDerWaalsContact C-O 3.31Å; S62-L80 WeakPolarHBondContact CA-O 3.32Å; S62-L80 WeakPolarHBondContact CB-O 3.3Å; L63-L80 HydrophobicContact CB-CB 4.31Å; L63-L80 PolarHBondContact N-O 2.81Å; L63-L80 PolarHBondContact O-N 2.84Å; L80-T93 HydrophobicContact CD2-CG2 3.68Å; L80-L97 HydrophobicContact CD1-CB 3.8Å; L80-L97 HydrophobicContact CD1-CD1 3.41Å; L80-L97 VanDerWaalsContact CD1-CD1 3.41Å; L80-L97 HydrophobicContact CD1-CD2 3.31Å; L80-L97 HydrophobicContact CD1-CG 3.63Å; L80-L97 HydrophobicContact CG-CD1 3.88Å
81	N	51.6	Low	43.6	Very low	80 Å²	80	77.3 Å²	77.3	43%	0.428	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125	167.2	-169.1	-20.8	0	0	0	109.3	S61 E83 T84	S61-N81 PolarHBondContact O-OD1 3.4Å; N81-E83 PolarHBondContact OD1-N 2.82Å; N81-E83 VanDerWaalsContact OD1-N 3.16Å; N81-T84 PolarHBondContact O-N 3.5Å; N81-T84 PolarHBondContact O-OG1 2.86Å
82	L	50.8	Low	43.9	Very low	29 Å²	29	81.5 Å²	81.5	15%	0.152	48%	0.476	C	S	.	.	S	Bend	trans	-78.7	-18.4	-175.9	-83.2	158.4	0	0	0	112.8	A56 A60 S61 L63 T84 L85	A56-L82 HydrophobicContact CB-CD1 4.28Å; A60-L82 VanDerWaalsContact C-CD1 3.43Å; A60-L82 HydrophobicContact CB-CD1 3.42Å; A60-L82 VanDerWaalsContact CB-CD1 3.42Å; A60-L82 WeakPolarHBondContact O-CB 3.42Å; A60-L82 WeakPolarHBondContact O-CD1 3.26Å; S61-L82 PolarHBondContact O-N 3.05Å; L63-L82 HydrophobicContact CB-CD1 4.31Å; L63-L82 HydrophobicContact CB-CG 4.42Å; L82-T84 PolarHBondContact O-N 3.45Å; L82-L85 HydrophobicContact CD2-CB 4.14Å; L82-L85 HydrophobicContact CD2-CD1 3.43Å; L82-L85 VanDerWaalsContact CD2-CD1 3.43Å; L82-L85 HydrophobicContact CD2-CG 4.41Å; L82-L85 HydrophobicContact CG-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CA 3.38Å; L82-L85 WeakPolarHBondContact O-CB 3.32Å; L82-L85 PolarHBondContact O-N 3.41Å
83	E	51.4	Low	44.3	Very low	152 Å²	152	79.2 Å²	79.2	71%	0.71	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-61.9	-30.9	169.1	-75.8	-174.1	154.3	0	0	111.6	N81 L85 T86	N81-E83 PolarHBondContact OD1-N 2.82Å; N81-E83 VanDerWaalsContact OD1-N 3.16Å; E83-L85 PolarHBondContact O-N 3.15Å; E83-T86 PolarHBondContact O-OG1 3.08Å
84	T	46.2	Very low	45.1	Very low	64 Å²	64	76.3 Å²	76.3	39%	0.393	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-76.8	-4.1	172.3	17.9	0	0	0	0	114	N81 L82 T90	N81-T84 PolarHBondContact O-N 3.5Å; N81-T84 PolarHBondContact O-OG1 2.86Å; L82-T84 PolarHBondContact O-N 3.45Å; T84-T90 WeakPolarHBondContact O-CG2 3.38Å
85	L	44.9	Very low	45.9	Very low	32 Å²	32	76 Å²	76	17%	0.168	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-98.1	3.5	-179.3	-90.2	159.7	0	0	0	114.2	L82 E83 T90 F94	L82-L85 HydrophobicContact CD2-CB 4.14Å; L82-L85 HydrophobicContact CD2-CD1 3.43Å; L82-L85 VanDerWaalsContact CD2-CD1 3.43Å; L82-L85 HydrophobicContact CD2-CG 4.41Å; L82-L85 HydrophobicContact CG-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CA 3.38Å; L82-L85 WeakPolarHBondContact O-CB 3.32Å; L82-L85 PolarHBondContact O-N 3.41Å; E83-L85 PolarHBondContact O-N 3.15Å; L85-T90 HydrophobicContact CB-CG2 4.39Å; L85-T90 HydrophobicContact CD2-CG2 4.34Å; L85-T90 WeakPolarHBondContact O-CG2 3.23Å; L85-F94 HydrophobicContact CD2-CB 4.34Å; L85-F94 HydrophobicContact CD2-CD2 4.23Å
86	T	45.6	Very low	46.6	Very low	120 Å²	120	75.2 Å²	75.2	74%	0.736	43%	0.433	S	S	*	.	S	Bend	trans	-111.3	-16	-179.9	54.6	0	0	0	0	114.7	E83	E83-T86 PolarHBondContact O-OG1 3.08Å
87	S	43.7	Very low	47.4	Very low	52 Å²	52	73.5 Å²	73.5	36%	0.364	42%	0.421	S	S	.	.	S	Bend	trans	-87.9	147.5	175.7	60.6	0	0	0	0	111.4	S89 T90	S87-S89 PolarHBondContact O-N 2.8Å; S87-S89 PolarHBondContact OG-OG 2.71Å; S87-T90 WeakPolarHBondContact O-CB 3.37Å; S87-T90 WeakPolarHBondContact O-CG2 3.44Å; S87-T90 PolarHBondContact O-N 3.03Å; S87-T90 PolarHBondContact O-OG1 2.76Å
88	E	41.6	Very low	48.2	Very low	197 Å²	197	70.5 Å²	70.5	92%	0.921	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-8.2	-178	-71.3	179.2	147.2	0	0	114.8	T90	E88-T90 VanDerWaalsContact C-N 3.25Å; E88-T90 PolarHBondContact O-N 2.73Å
89	S	44.7	Very low	48.6	Very low	72 Å²	72	71.2 Å²	71.2	50%	0.503	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.3	169.1	53.6	0	0	0	0	114.4	S87 S91 M92	S87-S89 PolarHBondContact O-N 2.8Å; S87-S89 PolarHBondContact OG-OG 2.71Å; S89-S91 PolarHBondContact O-N 2.98Å; S89-M92 PolarHBondContact O-N 2.67Å
90	T	44.1	Very low	49.2	Very low	34 Å²	34	71 Å²	71	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-42.3	-30.5	173.1	29	0	0	0	0	116.9	T84 L85 S87 E88 M92 F94	T84-T90 WeakPolarHBondContact O-CG2 3.38Å; L85-T90 HydrophobicContact CB-CG2 4.39Å; L85-T90 HydrophobicContact CD2-CG2 4.34Å; L85-T90 WeakPolarHBondContact O-CG2 3.23Å; S87-T90 WeakPolarHBondContact O-CB 3.37Å; S87-T90 WeakPolarHBondContact O-CG2 3.44Å; S87-T90 PolarHBondContact O-N 3.03Å; S87-T90 PolarHBondContact O-OG1 2.76Å; E88-T90 VanDerWaalsContact C-N 3.25Å; E88-T90 PolarHBondContact O-N 2.73Å; T90-M92 VanDerWaalsContact C-N 3.28Å; T90-M92 PolarHBondContact O-N 2.83Å; T90-F94 VanDerWaalsContact O-CB 3.31Å; T90-F94 WeakPolarHBondContact O-CB 3.2Å; T90-F94 PolarHBondContact O-N 3.32Å; T90-F94 VanDerWaalsContact O-N 3.15Å
91	S	46.6	Very low	49.7	Very low	81 Å²	81	72 Å²	72	57%	0.566	40%	0.401	S	S	*	.	H	α-helix	trans	-57.6	-41.5	-178	179.7	0	0	0	0	111.6	S89 T95	S89-S91 PolarHBondContact O-N 2.98Å; S91-T95 WeakPolarHBondContact O-CB 3.35Å; S91-T95 PolarHBondContact O-N 2.9Å; S91-T95 PolarHBondContact O-OG1 2.8Å
92	M	43.3	Very low	49.9	Very low	138 Å²	138	71.4 Å²	71.4	68%	0.68	40%	0.396	S	S	*	.	H	α-helix	trans	-73.4	-42.5	-174.6	-67.1	-163.7	-68.1	0	0	113.3	S89 T90 T95 L96	S89-M92 PolarHBondContact O-N 2.67Å; T90-M92 VanDerWaalsContact C-N 3.28Å; T90-M92 PolarHBondContact O-N 2.83Å; M92-T95 PolarHBondContact O-N 3.46Å; M92-L96 WeakPolarHBondContact O-CB 3.44Å; M92-L96 WeakPolarHBondContact O-CG 3.49Å; M92-L96 PolarHBondContact O-N 3.44Å
93	T	46.8	Very low	50.2	Low	49 Å²	49	74.6 Å²	74.6	30%	0.301	41%	0.413	S	S	.	.	H	α-helix	trans	-73	-37.6	-177.9	-26.2	0	0	0	0	111.8	L80 L96 L97	L80-T93 HydrophobicContact CD2-CG2 3.68Å; T93-L96 WeakPolarHBondContact O-CB 3.31Å; T93-L96 PolarHBondContact O-N 2.82Å; T93-L97 PolarHBondContact O-N 3.39Å; T93-L97 VanDerWaalsContact O-N 3.07Å
94	F	50	Low	50.6	Low	39 Å²	39	68.4 Å²	68.4	17%	0.171	39%	0.385	C	S	.	.	H	α-helix	trans	-67.4	-44.2	172.4	-175.5	-95.4	0	0	0	111.2	P49 I52 L85 T90 L96 L97 V98	P49-F94 HydrophobicContact CB-CZ 4.33Å; P49-F94 HydrophobicContact CG-CE1 3.98Å; P49-F94 HydrophobicContact CG-CZ 3.89Å; I52-F94 HydrophobicContact CD1-CE2 3.56Å; I52-F94 HydrophobicContact CD1-CZ 3.73Å; L85-F94 HydrophobicContact CD2-CB 4.34Å; L85-F94 HydrophobicContact CD2-CD2 4.23Å; T90-F94 VanDerWaalsContact O-CB 3.31Å; T90-F94 WeakPolarHBondContact O-CB 3.2Å; T90-F94 PolarHBondContact O-N 3.32Å; T90-F94 VanDerWaalsContact O-N 3.15Å; F94-L96 VanDerWaalsContact C-N 3.25Å; F94-L96 PolarHBondContact O-N 2.89Å; F94-L97 PolarHBondContact O-N 2.87Å; F94-V98 HydrophobicContact CD1-CG2 4.03Å; F94-V98 HydrophobicContact CE1-CG2 3.68Å; F94-V98 HydrophobicContact CZ-CG2 4.05Å; F94-V98 WeakPolarHBondContact O-CG2 3.31Å; F94-V98 PolarHBondContact O-N 3.35Å
95	T	51.9	Low	51.1	Low	70 Å²	70	65.8 Å²	65.8	43%	0.429	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-37	174.2	-60.8	0	0	0	0	111.2	S91 M92 V98 S99	S91-T95 WeakPolarHBondContact O-CB 3.35Å; S91-T95 PolarHBondContact O-N 2.9Å; S91-T95 PolarHBondContact O-OG1 2.8Å; M92-T95 PolarHBondContact O-N 3.46Å; T95-V98 PolarHBondContact O-N 3.46Å; T95-S99 WeakPolarHBondContact O-CB 3.31Å; T95-S99 PolarHBondContact O-N 3.16Å; T95-S99 PolarHBondContact O-OG 3.29Å
96	L	52.2	Low	51.7	Low	109 Å²	109	68.9 Å²	68.9	57%	0.571	39%	0.385	S	S	*	.	H	α-helix	trans	-62.4	-45.5	174.2	-92.9	161.2	0	0	0	112.1	M92 T93 F94 S99 L100	M92-L96 WeakPolarHBondContact O-CB 3.44Å; M92-L96 WeakPolarHBondContact O-CG 3.49Å; M92-L96 PolarHBondContact O-N 3.44Å; T93-L96 WeakPolarHBondContact O-CB 3.31Å; T93-L96 PolarHBondContact O-N 2.82Å; F94-L96 VanDerWaalsContact C-N 3.25Å; F94-L96 PolarHBondContact O-N 2.89Å; L96-S99 PolarHBondContact O-N 2.88Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 PolarHBondContact O-N 2.67Å
97	L	56	Low	52.2	Low	9 Å²	9	67.6 Å²	67.6	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-45.6	176.1	-169.4	84.8	0	0	0	111.5	V65 L80 T93 F94 S99 L100 I101	V65-L97 HydrophobicContact CG2-CD1 4.29Å; V65-L97 HydrophobicContact CG2-CD2 4.02Å; L80-L97 HydrophobicContact CD1-CB 3.8Å; L80-L97 HydrophobicContact CD1-CD1 3.41Å; L80-L97 VanDerWaalsContact CD1-CD1 3.41Å; L80-L97 HydrophobicContact CD1-CD2 3.31Å; L80-L97 HydrophobicContact CD1-CG 3.63Å; L80-L97 HydrophobicContact CG-CD1 3.88Å; T93-L97 PolarHBondContact O-N 3.39Å; T93-L97 VanDerWaalsContact O-N 3.07Å; F94-L97 PolarHBondContact O-N 2.87Å; L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 2.82Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.24Å; L97-I101 HydrophobicContact CD2-CD1 4.12Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 VanDerWaalsContact O-CG1 3.31Å; L97-I101 WeakPolarHBondContact O-CG1 3.22Å; L97-I101 PolarHBondContact O-N 3.44Å
98	V	58.7	Low	52.8	Low	21 Å²	21	66.2 Å²	66.2	13%	0.127	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-41.5	176.2	170.3	0	0	0	0	110.8	V46 F94 T95 L100 I101 Q102	V46-V98 HydrophobicContact CB-CG1 4.32Å; V46-V98 HydrophobicContact CG1-CB 4.39Å; V46-V98 HydrophobicContact CG1-CG1 3.78Å; V46-V98 HydrophobicContact CG1-CG2 3.8Å; V46-V98 HydrophobicContact CG2-CG1 3.97Å; F94-V98 HydrophobicContact CD1-CG2 4.03Å; F94-V98 HydrophobicContact CE1-CG2 3.68Å; F94-V98 HydrophobicContact CZ-CG2 4.05Å; F94-V98 WeakPolarHBondContact O-CG2 3.31Å; F94-V98 PolarHBondContact O-N 3.35Å; T95-V98 PolarHBondContact O-N 3.46Å; V98-L100 VanDerWaalsContact C-N 3.35Å; V98-I101 PolarHBondContact O-N 3.03Å; V98-Q102 HydrophobicContact CG1-CG 4.43Å; V98-Q102 WeakPolarHBondContact O-CB 3.08Å; V98-Q102 VanDerWaalsContact O-CG 3.31Å; V98-Q102 WeakPolarHBondContact O-CG 3.29Å; V98-Q102 PolarHBondContact O-N 3.38Å
99	S	53.8	Low	53.3	Low	54 Å²	54	61.9 Å²	61.9	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-37.7	176.7	-59.1	0	0	0	0	111.5	T95 L96 L97 Q102 L103	T95-S99 WeakPolarHBondContact O-CB 3.31Å; T95-S99 PolarHBondContact O-N 3.16Å; T95-S99 PolarHBondContact O-OG 3.29Å; L96-S99 PolarHBondContact O-N 2.88Å; L97-S99 VanDerWaalsContact C-N 3.29Å; L97-S99 PolarHBondContact O-N 2.82Å; S99-Q102 PolarHBondContact O-N 2.96Å; S99-L103 VanDerWaalsContact O-CB 3.26Å; S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 PolarHBondContact O-N 3.47Å
100	L	57.6	Low	53.9	Low	75 Å²	75	64.6 Å²	64.6	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-65.5	-46	174.7	-112.7	143.5	0	0	0	111.4	L96 L97 V98 Q102 L103 V104	L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 PolarHBondContact O-N 2.67Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.24Å; V98-L100 VanDerWaalsContact C-N 3.35Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.23Å; L100-V104 PolarHBondContact O-N 2.93Å
101	I	63.2	Low	54.3	Low	36 Å²	36	65.7 Å²	65.7	19%	0.185	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-44.8	175	-66.1	165.7	0	0	0	109.9	V65 L97 V98 L103 V104 V105	V65-I101 HydrophobicContact CG1-CD1 4.24Å; L97-I101 HydrophobicContact CD2-CD1 4.12Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 VanDerWaalsContact O-CG1 3.31Å; L97-I101 WeakPolarHBondContact O-CG1 3.22Å; L97-I101 PolarHBondContact O-N 3.44Å; V98-I101 PolarHBondContact O-N 3.03Å; I101-L103 PolarHBondContact O-N 2.78Å; I101-V104 PolarHBondContact O-N 3.13Å; I101-V105 HydrophobicContact CG2-CG2 4.4Å; I101-V105 WeakPolarHBondContact O-CB 3.35Å; I101-V105 WeakPolarHBondContact O-CG2 3.49Å; I101-V105 PolarHBondContact O-N 3.42Å
102	Q	55.5	Low	54.3	Low	67 Å²	67	63.6 Å²	63.6	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.8	-78.7	-178.6	-14.2	0	0	112.1	V98 S99 L100 V105 L106	V98-Q102 HydrophobicContact CG1-CG 4.43Å; V98-Q102 WeakPolarHBondContact O-CB 3.08Å; V98-Q102 VanDerWaalsContact O-CG 3.31Å; V98-Q102 WeakPolarHBondContact O-CG 3.29Å; V98-Q102 PolarHBondContact O-N 3.38Å; S99-Q102 PolarHBondContact O-N 2.96Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-V105 PolarHBondContact O-N 3.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 VanDerWaalsContact O-CG 3.23Å; Q102-L106 WeakPolarHBondContact O-CG 3.18Å; Q102-L106 PolarHBondContact O-N 3.26Å
103	L	57.4	Low	54.6	Low	96 Å²	96	63.8 Å²	63.8	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-45.6	176.5	-177	67.7	0	0	0	111.1	S99 L100 I101 V105 L106 L107	S99-L103 VanDerWaalsContact O-CB 3.26Å; S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 PolarHBondContact O-N 3.47Å; L100-L103 PolarHBondContact O-N 3.28Å; I101-L103 PolarHBondContact O-N 2.78Å; L103-V105 VanDerWaalsContact C-N 3.32Å; L103-V105 PolarHBondContact O-N 3.35Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L107 HydrophobicContact CD1-CD1 4.48Å; L103-L107 HydrophobicContact CD1-CG 4.5Å; L103-L107 HydrophobicContact CG-CD1 4.06Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CB 3.11Å; L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 2.95Å; L103-L107 PolarHBondContact O-N 2.81Å
104	V	58	Low	54.8	Low	22 Å²	22	65.7 Å²	65.7	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-41.8	176.6	171.4	0	0	0	0	110.7	V67 C76 L100 I101 L107 A108	V67-V104 HydrophobicContact CG1-CG1 4.41Å; C76-V104 HydrophobicContact CB-CG2 4.14Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.23Å; L100-V104 PolarHBondContact O-N 2.93Å; I101-V104 PolarHBondContact O-N 3.13Å; V104-L107 PolarHBondContact O-N 3.43Å; V104-A108 VanDerWaalsContact O-CB 3.27Å; V104-A108 WeakPolarHBondContact O-CB 3.46Å; V104-A108 PolarHBondContact O-N 2.93Å
105	V	58.6	Low	55	Low	9 Å²	9	66.5 Å²	66.5	6%	0.055	35%	0.345	C	S	.	.	H	α-helix	trans	-65.4	-41.1	175.5	172.5	0	0	0	0	111.7	M12 L43 I101 Q102 L103 A108 K109	M12-V105 HydrophobicContact CE-CG2 4.04Å; M12-V105 HydrophobicContact SD-CG2 3.85Å; L43-V105 HydrophobicContact CD2-CG1 4.15Å; I101-V105 HydrophobicContact CG2-CG2 4.4Å; I101-V105 WeakPolarHBondContact O-CB 3.35Å; I101-V105 WeakPolarHBondContact O-CG2 3.49Å; I101-V105 PolarHBondContact O-N 3.42Å; Q102-V105 PolarHBondContact O-N 3.49Å; L103-V105 VanDerWaalsContact C-N 3.32Å; L103-V105 PolarHBondContact O-N 3.35Å; V105-A108 PolarHBondContact O-N 3.21Å; V105-K109 HydrophobicContact CG1-CD 4.4Å; V105-K109 WeakPolarHBondContact O-CB 3.49Å; V105-K109 WeakPolarHBondContact O-CG 3.22Å; V105-K109 PolarHBondContact O-N 3.07Å
106	L	56.5	Low	54.6	Low	97 Å²	97	66 Å²	66	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-42.2	177.6	-75.7	170.1	0	0	0	111.7	Q102 L103 K109 K110	Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 VanDerWaalsContact O-CG 3.23Å; Q102-L106 WeakPolarHBondContact O-CG 3.18Å; Q102-L106 PolarHBondContact O-N 3.26Å; L103-L106 PolarHBondContact O-N 3.17Å; L106-K109 PolarHBondContact O-N 2.83Å; L106-K110 WeakPolarHBondContact O-CB 3.31Å; L106-K110 PolarHBondContact O-N 3.29Å
107	L	56.2	Low	54.4	Low	93 Å²	93	63.9 Å²	63.9	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-50.1	173.8	-73.8	170.9	0	0	0	110.1	L103 V104 K109 K110 T111	L103-L107 HydrophobicContact CD1-CD1 4.48Å; L103-L107 HydrophobicContact CD1-CG 4.5Å; L103-L107 HydrophobicContact CG-CD1 4.06Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CB 3.11Å; L103-L107 VanDerWaalsContact O-CG 3.29Å; L103-L107 WeakPolarHBondContact O-CG 2.95Å; L103-L107 PolarHBondContact O-N 2.81Å; V104-L107 PolarHBondContact O-N 3.43Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 2.78Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-K110 VanDerWaalsContact O-N 3.1Å; L107-T111 PolarHBondContact O-N 3.17Å; L107-T111 PolarHBondContact O-OG1 3.16Å
108	A	55.3	Low	54.2	Low	22 Å²	22	70.2 Å²	70.2	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-44.8	176.9	0	0	0	0	0	111.9	M12 V69 V104 V105 T111 V112	M12-A108 HydrophobicContact CE-CB 4.24Å; V69-A108 HydrophobicContact CG2-CB 4.49Å; V104-A108 VanDerWaalsContact O-CB 3.27Å; V104-A108 WeakPolarHBondContact O-CB 3.46Å; V104-A108 PolarHBondContact O-N 2.93Å; V105-A108 PolarHBondContact O-N 3.21Å; A108-T111 PolarHBondContact O-N 3.44Å; A108-V112 WeakPolarHBondContact O-CB 3.35Å; A108-V112 WeakPolarHBondContact O-CG2 3.26Å; A108-V112 PolarHBondContact O-N 3.19Å
109	K	53.8	Low	53.5	Low	106 Å²	106	75.7 Å²	75.7	46%	0.461	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-43.1	175.1	-79.1	-178	178	-177.3	0	112.7	V105 L106 L107 F113	V105-K109 HydrophobicContact CG1-CD 4.4Å; V105-K109 WeakPolarHBondContact O-CB 3.49Å; V105-K109 WeakPolarHBondContact O-CG 3.22Å; V105-K109 PolarHBondContact O-N 3.07Å; L106-K109 PolarHBondContact O-N 2.83Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 2.78Å; K109-F113 WeakPolarHBondContact O-CB 3.39Å; K109-F113 PolarHBondContact O-N 2.93Å
110	K	57	Low	52.6	Low	129 Å²	129	78.6 Å²	78.6	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-64.2	-46.5	178.5	-176	-177.2	174.4	-174.4	0	111	L106 L107 F113 E114	L106-K110 WeakPolarHBondContact O-CB 3.31Å; L106-K110 PolarHBondContact O-N 3.29Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-K110 VanDerWaalsContact O-N 3.1Å; K110-F113 WeakPolarHBondContact O-CB 2.97Å; K110-F113 PolarHBondContact O-N 3.15Å; K110-E114 VanDerWaalsContact CE-OE1 3.23Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 PolarHBondContact O-N 3.39Å
111	T	51.1	Low	51.7	Low	58 Å²	58	83.6 Å²	83.6	36%	0.356	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-41.7	179.5	-47.5	0	0	0	0	111.2	L107 A108 F113 E114 I115	L107-T111 PolarHBondContact O-N 3.17Å; L107-T111 PolarHBondContact O-OG1 3.16Å; A108-T111 PolarHBondContact O-N 3.44Å; T111-F113 VanDerWaalsContact C-N 3.34Å; T111-F113 PolarHBondContact O-N 3.33Å; T111-E114 PolarHBondContact O-N 2.84Å; T111-I115 HydrophobicContact CG2-CD1 3.99Å; T111-I115 WeakPolarHBondContact O-CD1 3.31Å; T111-I115 VanDerWaalsContact O-CG1 3.22Å; T111-I115 WeakPolarHBondContact O-CG1 3.47Å; T111-I115 PolarHBondContact O-N 3.4Å
112	V	46.5	Very low	50.3	Low	36 Å²	36	89.3 Å²	89.3	22%	0.218	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-42.4	172.6	166.2	0	0	0	0	111.5	F10 A108 I115 S116	F10-V112 HydrophobicContact CD2-CG1 3.88Å; F10-V112 HydrophobicContact CD2-CG2 4.07Å; F10-V112 HydrophobicContact CE1-CG2 4.48Å; F10-V112 HydrophobicContact CE2-CB 4.21Å; F10-V112 HydrophobicContact CE2-CG1 3.28Å; F10-V112 HydrophobicContact CE2-CG2 3.82Å; F10-V112 HydrophobicContact CG-CG2 4.5Å; F10-V112 HydrophobicContact CZ-CG1 3.97Å; F10-V112 HydrophobicContact CZ-CG2 4.01Å; A108-V112 WeakPolarHBondContact O-CB 3.35Å; A108-V112 WeakPolarHBondContact O-CG2 3.26Å; A108-V112 PolarHBondContact O-N 3.19Å; V112-I115 PolarHBondContact O-N 3.32Å; V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.08Å; V112-S116 PolarHBondContact O-N 2.67Å
113	F	50.2	Low	49.5	Very low	142 Å²	142	94.3 Å²	94.3	62%	0.623	48%	0.48	S	S	*	.	H	α-helix	trans	-66.2	-37.2	177.2	-170	-96.4	0	0	0	112.6	K109 K110 T111 N117	K109-F113 WeakPolarHBondContact O-CB 3.39Å; K109-F113 PolarHBondContact O-N 2.93Å; K110-F113 WeakPolarHBondContact O-CB 2.97Å; K110-F113 PolarHBondContact O-N 3.15Å; T111-F113 VanDerWaalsContact C-N 3.34Å; T111-F113 PolarHBondContact O-N 3.33Å; F113-N117 WeakPolarHBondContact CD1-ND2 3.48Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.37Å; F113-N117 WeakPolarHBondContact CZ-ND2 2.96Å; F113-N117 WeakPolarHBondContact O-CB 3.39Å; F113-N117 PolarHBondContact O-N 2.93Å; F113-N117 PolarHBondContact O-ND2 3.36Å; F113-N117 VanDerWaalsContact O-ND2 3.14Å
114	E	52.3	Low	49.1	Very low	89 Å²	89	94.3 Å²	94.3	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-68	-40.8	174.5	-78.3	-179.7	-172	0	0	112.2	K110 T111 N117 K118	K110-E114 VanDerWaalsContact CE-OE1 3.23Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 PolarHBondContact O-N 3.39Å; T111-E114 PolarHBondContact O-N 2.84Å; E114-N117 PolarHBondContact O-N 2.62Å; E114-K118 WeakPolarHBondContact O-CG 3.15Å; E114-K118 PolarHBondContact O-N 2.65Å
115	I	53.3	Low	48.7	Very low	57 Å²	57	98.1 Å²	98.1	29%	0.292	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-47.1	177.1	-68.3	163.5	0	0	0	110.3	F72 T111 V112 N117 K118 E119	F72-I115 HydrophobicContact CD2-CD1 4.44Å; F72-I115 HydrophobicContact CE1-CD1 4.45Å; F72-I115 HydrophobicContact CE2-CD1 3.25Å; F72-I115 HydrophobicContact CZ-CD1 3.26Å; T111-I115 HydrophobicContact CG2-CD1 3.99Å; T111-I115 WeakPolarHBondContact O-CD1 3.31Å; T111-I115 VanDerWaalsContact O-CG1 3.22Å; T111-I115 WeakPolarHBondContact O-CG1 3.47Å; T111-I115 PolarHBondContact O-N 3.4Å; V112-I115 PolarHBondContact O-N 3.32Å; I115-N117 VanDerWaalsContact C-N 3.28Å; I115-N117 PolarHBondContact O-N 3.4Å; I115-K118 PolarHBondContact O-N 2.6Å; I115-K118 VanDerWaalsContact O-N 3.09Å; I115-E119 PolarHBondContact O-N 3.02Å
116	S	43.8	Very low	48.1	Very low	60 Å²	60	103 Å²	103	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-36.5	178.3	-174.3	0	0	0	0	112.1	V112 L120	V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.08Å; V112-S116 PolarHBondContact O-N 2.67Å; S116-L120 PolarHBondContact O-N 3.45Å
117	N	48.5	Very low	47.6	Very low	64 Å²	64	103.4 Å²	103.4	34%	0.342	52%	0.522	S	S	.	.	H	α-helix	trans	-70.8	-34.8	173.5	-92.6	-59.3	0	0	0	113.5	F113 E114 I115 L120 F121	F113-N117 WeakPolarHBondContact CD1-ND2 3.48Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.37Å; F113-N117 WeakPolarHBondContact CZ-ND2 2.96Å; F113-N117 WeakPolarHBondContact O-CB 3.39Å; F113-N117 PolarHBondContact O-N 2.93Å; F113-N117 PolarHBondContact O-ND2 3.36Å; F113-N117 VanDerWaalsContact O-ND2 3.14Å; E114-N117 PolarHBondContact O-N 2.62Å; I115-N117 VanDerWaalsContact C-N 3.28Å; I115-N117 PolarHBondContact O-N 3.4Å; N117-L120 PolarHBondContact O-N 3.04Å; N117-F121 WeakPolarHBondContact O-CD2 3.45Å; N117-F121 PolarHBondContact O-N 3.48Å
118	K	51.4	Low	47.1	Very low	142 Å²	142	104 Å²	104	62%	0.617	52%	0.524	S	S	*	.	H	α-helix	trans	-68.6	-38.4	177.5	-78	176.7	179.9	176.5	0	112	E114 I115 L120 F121	E114-K118 WeakPolarHBondContact O-CG 3.15Å; E114-K118 PolarHBondContact O-N 2.65Å; I115-K118 PolarHBondContact O-N 2.6Å; I115-K118 VanDerWaalsContact O-N 3.09Å; K118-L120 VanDerWaalsContact C-N 3.29Å; K118-F121 PolarHBondContact O-N 3.28Å
119	E	42.6	Very low	46.5	Very low	135 Å²	135	109.5 Å²	109.5	63%	0.631	55%	0.547	S	S	*	.	H	α-helix	trans	-66.1	-34.1	173.1	-73.9	-173.1	154.9	0	0	111.9	I115 F121 L122	I115-E119 PolarHBondContact O-N 3.02Å; E119-F121 PolarHBondContact O-N 2.87Å; E119-L122 PolarHBondContact O-N 2.85Å
120	L	36.8	Very low	46	Very low	115 Å²	115	109.7 Å²	109.7	60%	0.602	55%	0.553	S	S	*	*	H	α-helix	trans	-67.8	-16.3	176.5	-137.9	124.5	0	0	0	114.1	S116 N117 K118	S116-L120 PolarHBondContact O-N 3.45Å; N117-L120 PolarHBondContact O-N 3.04Å; K118-L120 VanDerWaalsContact C-N 3.29Å
121	F	38.6	Very low	45.2	Very low	180 Å²	180	108.2 Å²	108.2	79%	0.789	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-5.3	175.9	-95.2	-85.4	0	0	0	113.8	N117 K118 E119	N117-F121 WeakPolarHBondContact O-CD2 3.45Å; N117-F121 PolarHBondContact O-N 3.48Å; K118-F121 PolarHBondContact O-N 3.28Å; E119-F121 PolarHBondContact O-N 2.87Å
122	L	33.3	Very low	44.7	Very low	156 Å²	156	112.4 Å²	112.4	82%	0.817	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-5	177.8	-83.8	159	0	0	0	113.4	E119	E119-L122 PolarHBondContact O-N 2.85Å
123	T	38.8	Very low	44.5	Very low	173 Å²	173	119.4 Å²	119.4	100%	1.061	60%	0.601	S	S	*	*			trans	-99.7	0	166.8	49.3	0	0	0	0	111.1

Retrieved 123 of 123 residues in 22.5 ms (Link to these results)

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