A0A060YB63_ONCMY Loading...

Protein N-lysine methyltransferase METTL21A

AlphaFold DB , UniProt , Accession A0A060YB63, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118941088, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

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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	26.7	Very low	38.3	Very low	226 Å²	226	127.7 Å²	127.7	100%	1.113	71%	0.714	S	S	*	*				0	111.1	0	-160	152.3	78.5	0	0	106.4	L3	M1-L3 PolarHBondContact O-N 3.28Å
2	A	28	Very low	38.9	Very low	98 Å²	98	124.3 Å²	124.3	81%	0.81	70%	0.702	S	S	*	*			trans	-65.5	110.3	-179.3	0	0	0	0	0	108	V4	A2-V4 PolarHBondContact O-N 2.77Å
3	L	31.9	Very low	39.8	Very low	107 Å²	107	120.6 Å²	120.6	56%	0.56	68%	0.683	S	S	*	*			trans	-70.6	100.4	175.6	-73	166.9	0	0	0	107.8	M1 R180	M1-L3 PolarHBondContact O-N 3.28Å; L3-R180 VanDerWaalsContact CD1-NH1 3.26Å
4	V	42.6	Very low	40.8	Very low	130 Å²	130	118.2 Å²	118.2	79%	0.788	67%	0.667	S	S	*	*			trans	-118.4	109.3	155.1	-169.5	0	0	0	0	106.4	A2	A2-V4 PolarHBondContact O-N 2.77Å
5	P	43.2	Very low	41.9	Very low	70 Å²	70	114.3 Å²	114.3	46%	0.455	65%	0.65	S	S	.	*			trans	-134.4	104.7	155.7	32.5	-15.6	0	0	0	109.3
6	Y	45.8	Very low	43.2	Very low	133 Å²	133	116 Å²	116	52%	0.522	65%	0.648	S	S	.	*			trans	-148.8	123.1	159	-90.2	-73.5	0	0	0	113.4	Y10	Y6-Y10 HydrophobicContact CG-CE2 4.3Å
7	D	38.5	Very low	44.3	Very low	158 Å²	158	110.8 Å²	110.8	85%	0.845	62%	0.619	S	S	*	*			trans	-67.5	145.8	164.6	-83.3	-42.3	0	0	0	112
8	G	40.5	Very low	45.4	Very low	68 Å²	68	111.1 Å²	111.1	70%	0.701	61%	0.614	S	S	*	*	S	Bend	trans	89.5	47	135.7	0	0	0	0	0	120.6
9	N	38.1	Very low	47.2	Very low	160 Å²	160	109.8 Å²	109.8	86%	0.856	61%	0.606	S	S	*	*			trans	129.8	62.5	156.5	-75.2	-20.6	0	0	0	115
10	Y	45.7	Very low	49.1	Very low	97 Å²	97	108.7 Å²	108.7	38%	0.38	61%	0.606	S	S	.	*			trans	-106.5	-1.4	-176.6	-87.1	-89.2	0	0	0	116.8	Y6 P12 V13 L14	Y6-Y10 HydrophobicContact CG-CE2 4.3Å; Y10-P12 VanDerWaalsContact C-CD 3.42Å; Y10-P12 VanDerWaalsContact C-N 3.3Å; Y10-P12 VanDerWaalsContact O-N 3.09Å; Y10-V13 HydrophobicContact CD1-CB 4.21Å; Y10-V13 HydrophobicContact CD1-CG1 4.44Å; Y10-V13 PolarHBondContact O-N 3.25Å; Y10-L14 PolarHBondContact O-N 3.19Å; Y10-L14 VanDerWaalsContact O-N 3.1Å
11	L	40.4	Very low	51	Low	158 Å²	158	104.8 Å²	104.8	83%	0.827	59%	0.586	S	S	*	*	H	α-helix	trans	-52.6	-37.2	-170.9	-76.2	162.6	0	0	0	114.7
12	P	45.7	Very low	54.1	Low	87 Å²	87	94.8 Å²	94.8	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-82.1	-21.6	177.3	-11.2	28	0	0	0	115.3	Y10 S15	Y10-P12 VanDerWaalsContact C-CD 3.42Å; Y10-P12 VanDerWaalsContact C-N 3.3Å; Y10-P12 VanDerWaalsContact O-N 3.09Å; P12-S15 PolarHBondContact O-OG 2.79Å
13	V	50.5	Low	57.2	Low	76 Å²	76	97 Å²	97	46%	0.461	53%	0.533	S	S	.	.	H	α-helix	trans	-86.4	-41.1	-176.3	177.3	0	0	0	0	110.2	Y10 S15 K16 L17	Y10-V13 HydrophobicContact CD1-CB 4.21Å; Y10-V13 HydrophobicContact CD1-CG1 4.44Å; Y10-V13 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.34Å; V13-K16 PolarHBondContact O-N 3.22Å; V13-L17 PolarHBondContact O-N 2.96Å
14	L	53	Low	60.2	Low	87 Å²	87	94 Å²	94	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-35	173.8	-69.9	170	0	0	0	111.7	Y10 K16 L17 H18	Y10-L14 PolarHBondContact O-N 3.19Å; Y10-L14 VanDerWaalsContact O-N 3.1Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.93Å; L14-L17 HydrophobicContact CD2-CD1 4.31Å; L14-L17 PolarHBondContact O-N 2.8Å; L14-H18 PolarHBondContact O-CD2 3.38Å; L14-H18 PolarHBondContact O-N 3.04Å
15	S	58.5	Low	62.8	Low	60 Å²	60	93 Å²	93	42%	0.42	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-35	177.1	65.7	0	0	0	0	112.5	P12 V13 L17 H18 N19	P12-S15 PolarHBondContact O-OG 2.79Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.34Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 2.8Å; S15-H18 PolarHBondContact O-N 3.37Å; S15-N19 PolarHBondContact O-N 3.12Å; S15-N19 PolarHBondContact O-OD1 3.26Å
16	K	61.5	Low	65.3	Low	141 Å²	141	90 Å²	90	61%	0.613	48%	0.482	S	S	*	.	H	α-helix	trans	-67.1	-31.4	175.4	-70.3	-176.4	179.8	-176.4	0	113.4	V13 L14 H18 N19 Q35	V13-K16 PolarHBondContact O-N 3.22Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.93Å; K16-H18 PolarHBondContact O-N 3.19Å; K16-N19 WeakPolarHBondContact O-CB 3.49Å; K16-N19 PolarHBondContact O-N 3.31Å; K16-Q35 PolarHBondContact O-NE2 3.39Å
17	L	62.3	Low	67.7	Low	28 Å²	28	84.4 Å²	84.4	15%	0.147	46%	0.463	C	S	.	.	H	α-helix	trans	-72	-21.8	175.4	-59.7	179.5	0	0	0	112.4	V13 L14 S15 W37 V45	V13-L17 PolarHBondContact O-N 2.96Å; L14-L17 HydrophobicContact CD2-CD1 4.31Å; L14-L17 PolarHBondContact O-N 2.8Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 2.8Å; L17-W37 WeakPolarHBondContact O-CB 2.99Å; L17-V45 HydrophobicContact CB-CG1 4.36Å; L17-V45 HydrophobicContact CD2-CB 3.85Å; L17-V45 HydrophobicContact CD2-CG1 4.03Å; L17-V45 HydrophobicContact CD2-CG2 3.99Å
18	H	64.3	Low	70.3	Confident	116 Å²	116	83.9 Å²	83.9	54%	0.537	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.5	175.1	-72.8	-66.9	0	0	0	113.8	L14 S15 K16	L14-H18 PolarHBondContact O-CD2 3.38Å; L14-H18 PolarHBondContact O-N 3.04Å; S15-H18 PolarHBondContact O-N 3.37Å; K16-H18 PolarHBondContact O-N 3.19Å
19	N	79.7	Confident	73	Confident	86 Å²	86	84.1 Å²	84.1	46%	0.46	44%	0.443	S	S	.	.	S	Bend	trans	-67.2	137.4	172.7	-71.1	-14.2	0	0	0	109.8	S15 K16 S21 Q35	S15-N19 PolarHBondContact O-N 3.12Å; S15-N19 PolarHBondContact O-OD1 3.26Å; K16-N19 WeakPolarHBondContact O-CB 3.49Å; K16-N19 PolarHBondContact O-N 3.31Å; N19-S21 PolarHBondContact O-N 3.22Å; N19-Q35 WeakPolarHBondContact O-CB 3.29Å; N19-Q35 PolarHBondContact O-NE2 2.88Å
20	S	86.1	Confident	75.8	Confident	87 Å²	87	82.9 Å²	82.9	61%	0.608	44%	0.437	S	S	*	.	S	Bend	trans	-70.6	-11.3	178.6	55.3	0	0	0	0	114	Q35	S20-Q35 CarbonylContact C-O 3.53Å; S20-Q35 WeakPolarHBondContact CA-O 3.42Å; S20-Q35 PolarHBondContact O-N 3.45Å
21	S	88.7	Confident	78.2	Confident	27 Å²	27	78.4 Å²	78.4	19%	0.189	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.4	173	56.6	0	0	0	0	112.7	N19 R32 L33	N19-S21 PolarHBondContact O-N 3.22Å; S21-R32 PolarHBondContact OG-NH2 3.38Å; S21-L33 CarbonylContact C-O 3.49Å; S21-L33 WeakPolarHBondContact CA-O 3.44Å; S21-L33 WeakPolarHBondContact CB-O 3.2Å
22	A	90.9	Very high	80.8	Confident	17 Å²	17	75.1 Å²	75.1	14%	0.14	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.9	167.2	0	0	0	0	0	109.6	F24 L33 Q35 V46	A22-F24 HydrophobicContact CB-CE2 3.53Å; A22-F24 HydrophobicContact CB-CZ 3.78Å; A22-L33 PolarHBondContact N-O 3.19Å; A22-L33 PolarHBondContact O-N 2.82Å; A22-Q35 HydrophobicContact CB-CG 4.34Å; A22-V46 HydrophobicContact CB-CG2 4.4Å
23	E	93.9	Very high	83.1	Confident	143 Å²	143	71 Å²	71	67%	0.668	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.2	-178.3	-70	178.8	-167.9	0	0	109.9	V31 R32	E23-V31 CarbonylContact C-O 3.51Å; E23-V31 WeakPolarHBondContact CA-O 3.48Å; E23-R32 HydrophobicContact CG-CB 4.19Å; E23-R32 HydrophobicContact CG-CG 3.92Å; E23-R32 IonicContact OE1-NE 3.69Å
24	F	95.3	Very high	85.1	Confident	45 Å²	45	69.6 Å²	69.6	20%	0.197	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.9	-179.3	-54	-85.8	0	0	0	109.7	A22 F26 N30 V31 L33 V46 V51 L78	A22-F24 HydrophobicContact CB-CE2 3.53Å; A22-F24 HydrophobicContact CB-CZ 3.78Å; F24-F26 HydrophobicContact CB-CD2 3.73Å; F24-F26 HydrophobicContact CB-CE2 3.69Å; F24-F26 HydrophobicContact CD1-CE2 4.15Å; F24-F26 HydrophobicContact CG-CE2 4.11Å; F24-N30 WeakPolarHBondContact O-CA 3.47Å; F24-V31 PolarHBondContact N-O 3.14Å; F24-V31 PolarHBondContact O-N 3.03Å; F24-L33 HydrophobicContact CD2-CD1 4.37Å; F24-L33 HydrophobicContact CE2-CD1 4.14Å; F24-V46 HydrophobicContact CE2-CB 4.36Å; F24-V46 HydrophobicContact CE2-CG1 4.19Å; F24-V46 HydrophobicContact CE2-CG2 3.92Å; F24-V46 HydrophobicContact CZ-CB 4.05Å; F24-V46 HydrophobicContact CZ-CG1 3.72Å; F24-V46 HydrophobicContact CZ-CG2 4.12Å; F24-V51 HydrophobicContact CD1-CG2 4.39Å; F24-V51 HydrophobicContact CE1-CG2 3.65Å; F24-V51 HydrophobicContact CZ-CG2 4.18Å; F24-L78 HydrophobicContact CD2-CD1 4Å; F24-L78 HydrophobicContact CD2-CD2 4.31Å; F24-L78 HydrophobicContact CE2-CD2 4.26Å; F24-L78 HydrophobicContact CG-CD1 4.38Å; F24-L78 HydrophobicContact CZ-CD2 4.4Å
25	H	96.1	Very high	86.8	Confident	108 Å²	108	66.1 Å²	66.1	50%	0.5	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.6	171.2	-170.3	79.2	0	0	0	108.2	H29 N30	H25-H29 WeakPolarHBondContact CA-O 3.43Å; H25-N30 PolarHBondContact ND1-OD1 3.2Å
26	F	96.8	Very high	88.1	Confident	8 Å²	8	66 Å²	66	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.1	-179.3	-73.9	-63.9	0	0	0	110.2	F24 D28 H29 V51 C54 M55 E58 L78 V82	F24-F26 HydrophobicContact CB-CD2 3.73Å; F24-F26 HydrophobicContact CB-CE2 3.69Å; F24-F26 HydrophobicContact CD1-CE2 4.15Å; F24-F26 HydrophobicContact CG-CE2 4.11Å; F26-D28 PolarHBondContact O-N 3Å; F26-H29 PolarHBondContact N-O 2.9Å; F26-H29 PolarHBondContact O-N 3.44Å; F26-H29 VanDerWaalsContact O-O 3.12Å; F26-V51 HydrophobicContact CZ-CG1 4.29Å; F26-C54 HydrophobicContact CD1-CB 4.04Å; F26-C54 HydrophobicContact CD2-CB 4.05Å; F26-C54 HydrophobicContact CE1-CB 3.67Å; F26-C54 HydrophobicContact CE2-CB 3.68Å; F26-C54 HydrophobicContact CG-CB 4.23Å; F26-C54 HydrophobicContact CZ-CB 3.47Å; F26-C54 VanDerWaalsContact CZ-CB 3.47Å; F26-M55 HydrophobicContact CE1-CG 3.84Å; F26-M55 HydrophobicContact CZ-CG 4.13Å; F26-E58 WeakPolarHBondContact CA-OE1 3.24Å; F26-L78 HydrophobicContact CD2-CD1 4.39Å; F26-L78 HydrophobicContact CE2-CD1 4.49Å; F26-V82 HydrophobicContact CB-CG1 4.17Å; F26-V82 HydrophobicContact CB-CG2 3.7Å; F26-V82 HydrophobicContact CD2-CG2 3.8Å; F26-V82 HydrophobicContact CG-CG1 4.46Å; F26-V82 HydrophobicContact CG-CG2 3.9Å
27	A	94.5	Very high	89	Confident	15 Å²	15	63.3 Å²	63.3	12%	0.124	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.7	178.8	0	0	0	0	0	112.8	H29 E58 L85 L86	A27-H29 PolarHBondContact O-CE1 3.3Å; A27-H29 PolarHBondContact O-N 2.83Å; A27-H29 PolarHBondContact O-ND1 3.22Å; A27-E58 PolarHBondContact N-OE1 3.28Å; A27-L85 HydrophobicContact CB-CB 3.72Å; A27-L86 HydrophobicContact CB-CD2 3.6Å; A27-L86 HydrophobicContact CB-CG 3.93Å
28	D	94.8	Very high	89.7	Confident	147 Å²	147	68.3 Å²	68.3	79%	0.786	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	19.8	-173.1	-58.3	-48.1	0	0	0	115.1	F26	F26-D28 PolarHBondContact O-N 3Å
29	H	95.9	Very high	90.3	Very high	74 Å²	74	69.9 Å²	69.9	34%	0.343	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.6	177.9	-64.3	71.4	0	0	0	111.5	H25 F26 A27 L85	H25-H29 WeakPolarHBondContact CA-O 3.43Å; F26-H29 PolarHBondContact N-O 2.9Å; F26-H29 PolarHBondContact O-N 3.44Å; F26-H29 VanDerWaalsContact O-O 3.12Å; A27-H29 PolarHBondContact O-CE1 3.3Å; A27-H29 PolarHBondContact O-N 2.83Å; A27-H29 PolarHBondContact O-ND1 3.22Å; H29-L85 HydrophobicContact CB-CD1 3.93Å
30	N	96.6	Very high	90	Very high	134 Å²	134	68.3 Å²	68.3	72%	0.717	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	118	166	-66	-31.7	0	0	0	108.6	F24 H25	F24-N30 WeakPolarHBondContact O-CA 3.47Å; H25-N30 PolarHBondContact ND1-OD1 3.2Å
31	V	96.3	Very high	90	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.6	177.8	-177.8	0	0	0	0	108.5	E23 F24 L33 L78 I81 L85 N110	E23-V31 CarbonylContact C-O 3.51Å; E23-V31 WeakPolarHBondContact CA-O 3.48Å; F24-V31 PolarHBondContact N-O 3.14Å; F24-V31 PolarHBondContact O-N 3.03Å; V31-L33 HydrophobicContact CG1-CD2 4.22Å; V31-L33 HydrophobicContact CG1-CG 4.12Å; V31-L78 HydrophobicContact CG1-CD1 3.91Å; V31-I81 HydrophobicContact CG1-CG2 4.13Å; V31-I81 HydrophobicContact CG2-CG2 4.34Å; V31-L85 HydrophobicContact CG2-CD1 3.89Å; V31-N110 VanDerWaalsContact CA-OD1 3.28Å; V31-N110 WeakPolarHBondContact CA-OD1 3.36Å; V31-N110 HydrophobicContact CG1-CB 4.25Å
32	R	95.9	Very high	89.5	Confident	90 Å²	90	66.7 Å²	66.7	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	177.8	-177.8	174.7	-179.4	-79.2	-10.9	109.7	S21 E23 E109 N110	S21-R32 PolarHBondContact OG-NH2 3.38Å; E23-R32 HydrophobicContact CG-CB 4.19Å; E23-R32 HydrophobicContact CG-CG 3.92Å; E23-R32 IonicContact OE1-NE 3.69Å; R32-E109 IonicContact NH1-OE1 3.68Å; R32-E109 PolarHBondContact NH1-OE1 2.95Å; R32-N110 PolarHBondContact N-OD1 2.92Å; R32-N110 PolarHBondContact O-ND2 3.31Å; R32-N110 PolarHBondContact O-OD1 2.78Å
33	L	94.3	Very high	88.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.9	-179.8	-63.3	172	0	0	0	109.5	S21 A22 F24 V31 V46 L78 I81 N106	S21-L33 CarbonylContact C-O 3.49Å; S21-L33 WeakPolarHBondContact CA-O 3.44Å; S21-L33 WeakPolarHBondContact CB-O 3.2Å; A22-L33 PolarHBondContact N-O 3.19Å; A22-L33 PolarHBondContact O-N 2.82Å; F24-L33 HydrophobicContact CD2-CD1 4.37Å; F24-L33 HydrophobicContact CE2-CD1 4.14Å; V31-L33 HydrophobicContact CG1-CD2 4.22Å; V31-L33 HydrophobicContact CG1-CG 4.12Å; L33-V46 HydrophobicContact CB-CG2 4.41Å; L33-V46 HydrophobicContact CD1-CG2 3.55Å; L33-L78 HydrophobicContact CD1-CB 3.58Å; L33-L78 HydrophobicContact CD1-CD1 3.68Å; L33-L78 HydrophobicContact CD1-CD2 4.48Å; L33-L78 HydrophobicContact CD1-CG 4.05Å; L33-I81 HydrophobicContact CD2-CD1 3.8Å; L33-N106 HydrophobicContact CD2-CB 3.75Å
34	T	92.7	Very high	87.9	Confident	47 Å²	47	60.3 Å²	60.3	29%	0.288	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.6	165.9	-60.5	0	0	0	0	108.6	F102 N106	T34-F102 VanDerWaalsContact C-CZ 3.45Å; T34-F102 HydrophobicContact CG2-CE2 3.92Å; T34-F102 HydrophobicContact CG2-CZ 4.01Å; T34-F102 WeakPolarHBondContact O-CE1 3.31Å; T34-F102 WeakPolarHBondContact O-CZ 3.34Å; T34-N106 WeakPolarHBondContact CB-OD1 3.32Å; T34-N106 PolarHBondContact N-OD1 3.4Å; T34-N106 PolarHBondContact O-ND2 2.85Å
35	Q	88.9	Confident	87.5	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.061	30%	0.299	C	S	.	.			trans	-129.9	142.5	176.4	-64.3	-170.7	121.9	0	0	110.5	K16 N19 S20 A22 A44	K16-Q35 PolarHBondContact O-NE2 3.39Å; N19-Q35 WeakPolarHBondContact O-CB 3.29Å; N19-Q35 PolarHBondContact O-NE2 2.88Å; S20-Q35 CarbonylContact C-O 3.53Å; S20-Q35 WeakPolarHBondContact CA-O 3.42Å; S20-Q35 PolarHBondContact O-N 3.45Å; A22-Q35 HydrophobicContact CB-CG 4.34Å; Q35-A44 CarbonylContact C-O 3.56Å; Q35-A44 WeakPolarHBondContact CA-O 3.39Å; Q35-A44 VanDerWaalsContact CB-O 3.32Å; Q35-A44 WeakPolarHBondContact CB-O 3.14Å
36	D	85.2	Confident	87.1	Confident	58 Å²	58	53.9 Å²	53.9	31%	0.31	28%	0.279	S	S	.	.			trans	-153.4	78	177.7	-168	-14.1	0	0	0	112.2	N38 K39 L40 A44 F102	D36-N38 PolarHBondContact O-N 3.17Å; D36-N38 PolarHBondContact OD1-N 2.67Å; D36-K39 HydrophobicContact CB-CB 4.1Å; D36-K39 PolarHBondContact O-N 3.08Å; D36-K39 VanDerWaalsContact O-N 3.14Å; D36-K39 WeakPolarHBondContact OD1-CB 3.45Å; D36-K39 PolarHBondContact OD1-N 3.24Å; D36-K39 VanDerWaalsContact OD1-N 3.13Å; D36-K39 WeakPolarHBondContact OD2-CB 3.18Å; D36-L40 PolarHBondContact O-N 2.68Å; D36-A44 PolarHBondContact N-O 2.81Å; D36-A44 WeakPolarHBondContact O-CB 3.28Å; D36-F102 HydrophobicContact CB-CE2 4.17Å; D36-F102 HydrophobicContact CB-CZ 4.45Å
37	W	80.1	Confident	86.9	Confident	84 Å²	84	57.1 Å²	57.1	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-53.6	-36.5	178.5	-179.8	-96.5	0	0	0	113	L17 K39 G41 V42 V45 W47	L17-W37 WeakPolarHBondContact O-CB 2.99Å; W37-K39 VanDerWaalsContact C-N 3.31Å; W37-K39 PolarHBondContact O-N 3.34Å; W37-G41 WeakPolarHBondContact O-CA 3.25Å; W37-G41 PolarHBondContact O-N 3.26Å; W37-V42 HydrophobicContact CH2-CG2 4.35Å; W37-V42 HydrophobicContact CZ3-CG2 4.46Å; W37-V45 HydrophobicContact CB-CG1 4.22Å; W37-V45 HydrophobicContact CE3-CG1 3.85Å; W37-V45 HydrophobicContact CE3-CG2 3.87Å; W37-V45 HydrophobicContact CZ3-CG2 3.92Å; W37-W47 HydrophobicContact CZ3-CH2 4.33Å; W37-W47 HydrophobicContact CZ3-CZ2 4.12Å
38	N	77.3	Confident	86.8	Confident	134 Å²	134	60.2 Å²	60.2	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-71.7	-27.2	-176	-66.8	-32.6	0	0	0	112.5	D36	D36-N38 PolarHBondContact O-N 3.17Å; D36-N38 PolarHBondContact OD1-N 2.67Å
39	K	77.4	Confident	86.8	Confident	149 Å²	149	53.3 Å²	53.3	65%	0.648	27%	0.269	S	S	*	.	H	α-helix	trans	-90.6	-44.1	-177.1	-170.5	-178.4	179.7	178.3	0	113.6	D36 W37	D36-K39 HydrophobicContact CB-CB 4.1Å; D36-K39 PolarHBondContact O-N 3.08Å; D36-K39 VanDerWaalsContact O-N 3.14Å; D36-K39 WeakPolarHBondContact OD1-CB 3.45Å; D36-K39 PolarHBondContact OD1-N 3.24Å; D36-K39 VanDerWaalsContact OD1-N 3.13Å; D36-K39 WeakPolarHBondContact OD2-CB 3.18Å; W37-K39 VanDerWaalsContact C-N 3.31Å; W37-K39 PolarHBondContact O-N 3.34Å
40	L	73.3	Confident	86.9	Confident	52 Å²	52	50.3 Å²	50.3	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-128.5	2.3	-171.6	-69.2	173.9	0	0	0	114	D36 V42 A44 P98 F102	D36-L40 PolarHBondContact O-N 2.68Å; L40-V42 PolarHBondContact O-N 3.16Å; L40-A44 HydrophobicContact CB-CB 3.68Å; L40-P98 WeakPolarHBondContact CD2-O 3.26Å; L40-F102 HydrophobicContact CD1-CB 3.59Å; L40-F102 HydrophobicContact CD1-CD2 4.17Å; L40-F102 HydrophobicContact CD1-CG 3.9Å
41	G	85.2	Confident	86.9	Confident	21 Å²	21	44.6 Å²	44.6	22%	0.216	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	57.6	-127	177	0	0	0	0	0	112.7	W37 A43 A44	W37-G41 WeakPolarHBondContact O-CA 3.25Å; W37-G41 PolarHBondContact O-N 3.26Å; G41-A43 VanDerWaalsContact C-N 3.25Å; G41-A43 PolarHBondContact O-N 3.28Å; G41-A44 WeakPolarHBondContact O-CB 3.35Å; G41-A44 PolarHBondContact O-N 2.89Å
42	V	78.9	Confident	87	Confident	60 Å²	60	44.5 Å²	44.5	36%	0.364	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54.4	-36.4	-174.1	173.4	0	0	0	0	113.4	W37 L40 A44 W47	W37-V42 HydrophobicContact CH2-CG2 4.35Å; W37-V42 HydrophobicContact CZ3-CG2 4.46Å; L40-V42 PolarHBondContact O-N 3.16Å; V42-A44 PolarHBondContact O-N 2.84Å; V42-W47 HydrophobicContact CB-CZ2 4.12Å; V42-W47 HydrophobicContact CG1-CZ2 3.7Å; V42-W47 HydrophobicContact CG2-CZ2 4.13Å; V42-W47 PolarHBondContact O-NE1 3.31Å
43	A	72.4	Confident	87.1	Confident	26 Å²	26	40.2 Å²	40.2	22%	0.215	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-76.5	-12.4	-178.4	0	0	0	0	0	113.5	G41 G75 T76 A99	G41-A43 VanDerWaalsContact C-N 3.25Å; G41-A43 PolarHBondContact O-N 3.28Å; A43-G75 CarbonylContact O-C 3.6Å; A43-G75 VanDerWaalsContact O-CA 3.26Å; A43-G75 WeakPolarHBondContact O-CA 3.39Å; A43-T76 PolarHBondContact O-N 2.86Å; A43-A99 HydrophobicContact CB-CB 4.09Å
44	A	78.4	Confident	87.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-98	6.2	-170.7	0	0	0	0	0	113.8	Q35 D36 L40 G41 V42 F102	Q35-A44 CarbonylContact C-O 3.56Å; Q35-A44 WeakPolarHBondContact CA-O 3.39Å; Q35-A44 VanDerWaalsContact CB-O 3.32Å; Q35-A44 WeakPolarHBondContact CB-O 3.14Å; D36-A44 PolarHBondContact N-O 2.81Å; D36-A44 WeakPolarHBondContact O-CB 3.28Å; L40-A44 HydrophobicContact CB-CB 3.68Å; G41-A44 WeakPolarHBondContact O-CB 3.35Å; G41-A44 PolarHBondContact O-N 2.89Å; V42-A44 PolarHBondContact O-N 2.84Å; A44-F102 HydrophobicContact CB-CE1 4.45Å
45	V	86.4	Confident	87.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	21%	0.214	C	C	.	.	S	Bend	trans	-134.3	153.3	-174.7	-67	0	0	0	0	110.3	L17 W37 W47	L17-V45 HydrophobicContact CB-CG1 4.36Å; L17-V45 HydrophobicContact CD2-CB 3.85Å; L17-V45 HydrophobicContact CD2-CG1 4.03Å; L17-V45 HydrophobicContact CD2-CG2 3.99Å; W37-V45 HydrophobicContact CB-CG1 4.22Å; W37-V45 HydrophobicContact CE3-CG1 3.85Å; W37-V45 HydrophobicContact CE3-CG2 3.87Å; W37-V45 HydrophobicContact CZ3-CG2 3.92Å; V45-W47 HydrophobicContact CG2-CZ2 3.89Å
46	V	89	Confident	87.9	Confident	15 Å²	15	41.5 Å²	41.5	9%	0.091	21%	0.214	C	C	.	.			trans	-84.3	123	174.1	-178.3	0	0	0	0	109	A22 F24 L33 A50 V51 T76 L78	A22-V46 HydrophobicContact CB-CG2 4.4Å; F24-V46 HydrophobicContact CE2-CB 4.36Å; F24-V46 HydrophobicContact CE2-CG1 4.19Å; F24-V46 HydrophobicContact CE2-CG2 3.92Å; F24-V46 HydrophobicContact CZ-CB 4.05Å; F24-V46 HydrophobicContact CZ-CG1 3.72Å; F24-V46 HydrophobicContact CZ-CG2 4.12Å; L33-V46 HydrophobicContact CB-CG2 4.41Å; L33-V46 HydrophobicContact CD1-CG2 3.55Å; V46-A50 HydrophobicContact CG1-CB 4.34Å; V46-V51 HydrophobicContact CG1-CG2 3.8Å; V46-T76 HydrophobicContact CG2-CG2 4.02Å; V46-L78 HydrophobicContact CG1-CD2 3.65Å
47	W	91.3	Very high	88.5	Confident	76 Å²	76	38.9 Å²	38.9	29%	0.288	20%	0.2	S	C	.	.			trans	-88.8	149.4	174.4	-64	94	0	0	0	111.2	W37 V42 V45 A49 A50 V51 D145	W37-W47 HydrophobicContact CZ3-CH2 4.33Å; W37-W47 HydrophobicContact CZ3-CZ2 4.12Å; V42-W47 HydrophobicContact CB-CZ2 4.12Å; V42-W47 HydrophobicContact CG1-CZ2 3.7Å; V42-W47 HydrophobicContact CG2-CZ2 4.13Å; V42-W47 PolarHBondContact O-NE1 3.31Å; V45-W47 HydrophobicContact CG2-CZ2 3.89Å; W47-A49 PolarHBondContact O-N 2.84Å; W47-A49 VanDerWaalsContact O-N 3.12Å; W47-A50 WeakPolarHBondContact O-CB 3.4Å; W47-A50 PolarHBondContact O-N 2.87Å; W47-V51 PolarHBondContact O-N 2.87Å; W47-D145 HydrophobicContact CB-CB 4.14Å; W47-D145 HydrophobicContact CG-CB 4.41Å
48	D	92.7	Very high	89.3	Confident	81 Å²	81	38.7 Å²	38.7	43%	0.433	20%	0.202	S	C	.	.	H	α-helix	trans	-54.7	-34.5	-179.9	-73.1	-33.1	0	0	0	112.6	A50 V51 V52 R203 I205	D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.21Å; D48-V51 WeakPolarHBondContact O-CB 3.26Å; D48-V51 PolarHBondContact O-N 2.99Å; D48-V51 VanDerWaalsContact O-N 3.14Å; D48-V52 WeakPolarHBondContact O-CG2 3.43Å; D48-V52 PolarHBondContact O-N 2.82Å; D48-R203 HydrophobicContact CB-CB 4.42Å; D48-I205 HydrophobicContact CB-CD1 4.46Å; D48-I205 HydrophobicContact CB-CG1 4.45Å
49	A	95.8	Very high	90.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-34.1	177.6	0	0	0	0	0	112.8	W47 M53 A144 D145 A173 I205	W47-A49 PolarHBondContact O-N 2.84Å; W47-A49 VanDerWaalsContact O-N 3.12Å; A49-M53 VanDerWaalsContact O-CB 3.29Å; A49-M53 WeakPolarHBondContact O-CB 3.29Å; A49-M53 PolarHBondContact O-N 2.81Å; A49-A144 HydrophobicContact CB-CB 4.39Å; A49-D145 HydrophobicContact CB-CB 3.83Å; A49-A173 HydrophobicContact CB-CB 3.97Å; A49-A173 WeakPolarHBondContact O-CB 3.25Å; A49-I205 HydrophobicContact CB-CD1 4Å; A49-I205 HydrophobicContact CB-CG2 4.18Å
50	A	97.3	Very high	90.7	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-39.5	176.1	0	0	0	0	0	111	V46 W47 D48 M53 C54 L78 V79 A144	V46-A50 HydrophobicContact CG1-CB 4.34Å; W47-A50 WeakPolarHBondContact O-CB 3.4Å; W47-A50 PolarHBondContact O-N 2.87Å; D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.21Å; A50-M53 PolarHBondContact O-N 2.87Å; A50-C54 PolarHBondContact O-N 3.43Å; A50-C54 PolarHBondContact O-SG 3.03Å; A50-L78 HydrophobicContact CB-CD2 4.32Å; A50-V79 HydrophobicContact CB-CG2 3.78Å; A50-A144 HydrophobicContact CB-CB 4.06Å
51	V	96.8	Very high	91.3	Very high	14 Å²	14	36.9 Å²	36.9	9%	0.085	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-47.8	176.5	-177.1	0	0	0	0	110.6	F24 F26 V46 W47 D48 M53 C54 M55 L78	F24-V51 HydrophobicContact CD1-CG2 4.39Å; F24-V51 HydrophobicContact CE1-CG2 3.65Å; F24-V51 HydrophobicContact CZ-CG2 4.18Å; F26-V51 HydrophobicContact CZ-CG1 4.29Å; V46-V51 HydrophobicContact CG1-CG2 3.8Å; W47-V51 PolarHBondContact O-N 2.87Å; D48-V51 WeakPolarHBondContact O-CB 3.26Å; D48-V51 PolarHBondContact O-N 2.99Å; D48-V51 VanDerWaalsContact O-N 3.14Å; V51-M53 VanDerWaalsContact C-N 3.33Å; V51-M53 PolarHBondContact O-N 2.56Å; V51-C54 PolarHBondContact O-N 2.69Å; V51-C54 VanDerWaalsContact O-N 3.17Å; V51-M55 HydrophobicContact CG1-CE 3.81Å; V51-M55 HydrophobicContact CG1-SD 4.41Å; V51-M55 WeakPolarHBondContact O-CG 3.39Å; V51-M55 PolarHBondContact O-N 3.27Å; V51-L78 HydrophobicContact CG2-CD2 4.22Å
52	V	97.6	Very high	91.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-39.7	177.9	175	0	0	0	0	111.3	D48 C54 M55 Y56 D200 R203 I205 I207	D48-V52 WeakPolarHBondContact O-CG2 3.43Å; D48-V52 PolarHBondContact O-N 2.82Å; V52-C54 PolarHBondContact O-N 3.1Å; V52-M55 PolarHBondContact O-N 2.88Å; V52-Y56 WeakPolarHBondContact O-CB 3.28Å; V52-Y56 PolarHBondContact O-N 3.33Å; V52-D200 HydrophobicContact CG1-CB 3.91Å; V52-D200 HydrophobicContact CG2-CB 4.03Å; V52-R203 HydrophobicContact CG2-CB 4.32Å; V52-R203 VanDerWaalsContact CG2-CD 3.45Å; V52-R203 HydrophobicContact CG2-CG 4.49Å; V52-I205 HydrophobicContact CB-CB 4.23Å; V52-I205 HydrophobicContact CB-CG2 3.93Å; V52-I205 HydrophobicContact CG1-CB 4.12Å; V52-I205 HydrophobicContact CG1-CG2 3.82Å; V52-I205 HydrophobicContact CG2-CB 4.06Å; V52-I205 HydrophobicContact CG2-CG1 4Å; V52-I205 HydrophobicContact CG2-CG2 4.3Å; V52-I207 HydrophobicContact CG1-CD1 4.13Å; V52-I207 HydrophobicContact CG1-CG1 4.37Å
53	M	98.4	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172.9	-175.4	66.8	86	0	0	111.4	A49 A50 V51 Y56 L57 V79 G143 L171 A173 I207	A49-M53 VanDerWaalsContact O-CB 3.29Å; A49-M53 WeakPolarHBondContact O-CB 3.29Å; A49-M53 PolarHBondContact O-N 2.81Å; A50-M53 PolarHBondContact O-N 2.87Å; V51-M53 VanDerWaalsContact C-N 3.33Å; V51-M53 PolarHBondContact O-N 2.56Å; M53-Y56 WeakPolarHBondContact O-CB 3.46Å; M53-Y56 PolarHBondContact O-N 2.9Å; M53-L57 HydrophobicContact CG-CD1 4.31Å; M53-L57 WeakPolarHBondContact O-CG 3.17Å; M53-L57 PolarHBondContact O-N 2.97Å; M53-V79 HydrophobicContact CB-CG1 4.31Å; M53-V79 HydrophobicContact CB-CG2 4.25Å; M53-V79 HydrophobicContact CG-CG1 3.51Å; M53-V79 HydrophobicContact CG-CG2 4.27Å; M53-G143 WeakPolarHBondContact CE-O 3.34Å; M53-L171 HydrophobicContact CE-CB 3.73Å; M53-L171 WeakPolarHBondContact CE-O 3.43Å; M53-L171 HydrophobicContact SD-CB 4.05Å; M53-A173 HydrophobicContact CB-CB 4.05Å; M53-A173 HydrophobicContact CE-CB 3.64Å; M53-A173 VanDerWaalsContact CE-N 3.32Å; M53-I207 HydrophobicContact CE-CG2 4.38Å; M53-I207 HydrophobicContact SD-CD1 4.37Å; M53-I207 HydrophobicContact SD-CG2 4.36Å
54	C	98.1	Very high	93.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-43.5	179.2	-67	0	0	0	0	112.5	F26 A50 V51 V52 Y56 L57 E58 V82	F26-C54 HydrophobicContact CD1-CB 4.04Å; F26-C54 HydrophobicContact CD2-CB 4.05Å; F26-C54 HydrophobicContact CE1-CB 3.67Å; F26-C54 HydrophobicContact CE2-CB 3.68Å; F26-C54 HydrophobicContact CG-CB 4.23Å; F26-C54 HydrophobicContact CZ-CB 3.47Å; F26-C54 VanDerWaalsContact CZ-CB 3.47Å; A50-C54 PolarHBondContact O-N 3.43Å; A50-C54 PolarHBondContact O-SG 3.03Å; V51-C54 PolarHBondContact O-N 2.69Å; V51-C54 VanDerWaalsContact O-N 3.17Å; V52-C54 PolarHBondContact O-N 3.1Å; C54-Y56 VanDerWaalsContact C-N 3.31Å; C54-Y56 PolarHBondContact O-N 3.43Å; C54-L57 PolarHBondContact O-N 3.5Å; C54-E58 WeakPolarHBondContact O-CB 3.29Å; C54-E58 PolarHBondContact O-N 2.75Å; C54-V82 HydrophobicContact CB-CB 4.33Å; C54-V82 HydrophobicContact CB-CG1 4.06Å; C54-V82 HydrophobicContact CB-CG2 4.14Å
55	M	97.2	Very high	94.1	Very high	71 Å²	71	43.2 Å²	43.2	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-57.7	-45.1	173.5	-69.2	173.2	173.5	0	0	111.2	F26 V51 V52 L57 E58 L59	F26-M55 HydrophobicContact CE1-CG 3.84Å; F26-M55 HydrophobicContact CZ-CG 4.13Å; V51-M55 HydrophobicContact CG1-CE 3.81Å; V51-M55 HydrophobicContact CG1-SD 4.41Å; V51-M55 WeakPolarHBondContact O-CG 3.39Å; V51-M55 PolarHBondContact O-N 3.27Å; V52-M55 PolarHBondContact O-N 2.88Å; M55-L57 PolarHBondContact O-N 2.86Å; M55-E58 PolarHBondContact O-N 3.3Å; M55-L59 VanDerWaalsContact O-CG 3.26Å; M55-L59 WeakPolarHBondContact O-CG 3.18Å; M55-L59 PolarHBondContact O-N 3.44Å
56	Y	97.5	Very high	94.5	Very high	16 Å²	16	45.2 Å²	45.2	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-39.6	178.6	-178.4	-100.1	0	0	0	113.1	V52 M53 C54 Q61 V62 L171 V197 H198 I207	V52-Y56 WeakPolarHBondContact O-CB 3.28Å; V52-Y56 PolarHBondContact O-N 3.33Å; M53-Y56 WeakPolarHBondContact O-CB 3.46Å; M53-Y56 PolarHBondContact O-N 2.9Å; C54-Y56 VanDerWaalsContact C-N 3.31Å; C54-Y56 PolarHBondContact O-N 3.43Å; Y56-Q61 HydrophobicContact CD1-CB 4.39Å; Y56-Q61 HydrophobicContact CD2-CB 4.17Å; Y56-Q61 HydrophobicContact CD2-CG 4.02Å; Y56-Q61 HydrophobicContact CE1-CB 3.89Å; Y56-Q61 HydrophobicContact CE2-CB 3.63Å; Y56-Q61 HydrophobicContact CE2-CG 3.7Å; Y56-Q61 VanDerWaalsContact CZ-CB 3.46Å; Y56-V62 HydrophobicContact CD1-CG2 4.41Å; Y56-V62 HydrophobicContact CE1-CG2 3.65Å; Y56-L171 HydrophobicContact CE1-CD2 4.35Å; Y56-V197 HydrophobicContact CE1-CG2 4.34Å; Y56-V197 HydrophobicContact CE2-CG2 4.33Å; Y56-V197 WeakPolarHBondContact OH-CG2 3.39Å; Y56-H198 HydrophobicContact CD2-CB 3.72Å; Y56-H198 AromaticContact CD2-CG 3.95Å; Y56-H198 HydrophobicContact CE2-CB 3.8Å; Y56-I207 HydrophobicContact CD1-CD1 3.91Å; Y56-I207 HydrophobicContact CD1-CG2 4.42Å; Y56-I207 HydrophobicContact CD2-CD1 3.94Å; Y56-I207 HydrophobicContact CE1-CG2 4.45Å; Y56-I207 HydrophobicContact CG-CD1 3.45Å; Y56-I207 VanDerWaalsContact CG-CD1 3.45Å
57	L	97.7	Very high	94.9	Very high	3 Å²	3	48 Å²	48	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-43.9	175.8	-65.9	176.4	0	0	0	111.9	M53 C54 M55 L59 G60 V62 L64 V79 L86 L171	M53-L57 HydrophobicContact CG-CD1 4.31Å; M53-L57 WeakPolarHBondContact O-CG 3.17Å; M53-L57 PolarHBondContact O-N 2.97Å; C54-L57 PolarHBondContact O-N 3.5Å; M55-L57 PolarHBondContact O-N 2.86Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 PolarHBondContact O-N 3.1Å; L57-G60 PolarHBondContact O-N 2.95Å; L57-G60 VanDerWaalsContact O-N 3.08Å; L57-V62 HydrophobicContact CD2-CB 4.22Å; L57-V62 HydrophobicContact CD2-CG2 4.47Å; L57-L64 HydrophobicContact CB-CD1 4.28Å; L57-L64 HydrophobicContact CD1-CD1 4.4Å; L57-L64 HydrophobicContact CD2-CD1 4.21Å; L57-V79 HydrophobicContact CD1-CG1 3.95Å; L57-L86 HydrophobicContact CB-CD1 3.65Å; L57-L171 HydrophobicContact CD2-CD1 4.02Å
58	E	96.1	Very high	95.3	Very high	80 Å²	80	46.1 Å²	46.1	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-32.3	-179.7	-177.7	174.8	-120.3	0	0	112.8	F26 A27 C54 M55 G60	F26-E58 WeakPolarHBondContact CA-OE1 3.24Å; A27-E58 PolarHBondContact N-OE1 3.28Å; C54-E58 WeakPolarHBondContact O-CB 3.29Å; C54-E58 PolarHBondContact O-N 2.75Å; M55-E58 PolarHBondContact O-N 3.3Å; E58-G60 PolarHBondContact O-N 3.41Å
59	L	94.9	Very high	95.6	Very high	119 Å²	119	42.2 Å²	42.2	62%	0.623	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	3.2	172.6	-71.3	172.8	0	0	0	113.9	M55 L57 Q61	M55-L59 VanDerWaalsContact O-CG 3.26Å; M55-L59 WeakPolarHBondContact O-CG 3.18Å; M55-L59 PolarHBondContact O-N 3.44Å; L57-L59 VanDerWaalsContact C-N 3.3Å; L57-L59 PolarHBondContact O-N 3.1Å; L59-Q61 HydrophobicContact CB-CG 4.14Å; L59-Q61 PolarHBondContact O-N 2.69Å; L59-Q61 PolarHBondContact O-NE2 2.98Å
60	G	88.9	Confident	95.7	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	18.9	174.5	0	0	0	0	0	114.1	L57 E58 V62	L57-G60 PolarHBondContact O-N 2.95Å; L57-G60 VanDerWaalsContact O-N 3.08Å; E58-G60 PolarHBondContact O-N 3.41Å; G60-V62 PolarHBondContact O-N 3.25Å
61	Q	85.9	Confident	95.8	Very high	122 Å²	122	41.9 Å²	41.9	57%	0.57	24%	0.237	S	C	*	.	S	Bend	trans	-69.2	-16.1	179.6	-60.3	-57.4	-56	0	0	112.6	Y56 L59	Y56-Q61 HydrophobicContact CD1-CB 4.39Å; Y56-Q61 HydrophobicContact CD2-CB 4.17Å; Y56-Q61 HydrophobicContact CD2-CG 4.02Å; Y56-Q61 HydrophobicContact CE1-CB 3.89Å; Y56-Q61 HydrophobicContact CE2-CB 3.63Å; Y56-Q61 HydrophobicContact CE2-CG 3.7Å; Y56-Q61 VanDerWaalsContact CZ-CB 3.46Å; L59-Q61 HydrophobicContact CB-CG 4.14Å; L59-Q61 PolarHBondContact O-N 2.69Å; L59-Q61 PolarHBondContact O-NE2 2.98Å
62	V	89.8	Confident	95.9	Very high	22 Å²	22	41.3 Å²	41.3	13%	0.133	23%	0.233	C	C	.	.	S	Bend	trans	-135.2	123.5	179.9	-179.2	0	0	0	0	108.2	Y56 L57 G60 L64 I140 L171	Y56-V62 HydrophobicContact CD1-CG2 4.41Å; Y56-V62 HydrophobicContact CE1-CG2 3.65Å; L57-V62 HydrophobicContact CD2-CB 4.22Å; L57-V62 HydrophobicContact CD2-CG2 4.47Å; G60-V62 PolarHBondContact O-N 3.25Å; V62-L64 PolarHBondContact O-N 3.24Å; V62-I140 HydrophobicContact CG1-CD1 3.94Å; V62-L171 HydrophobicContact CB-CD1 4.41Å; V62-L171 HydrophobicContact CG1-CD1 4.2Å; V62-L171 HydrophobicContact CG2-CD1 3.72Å; V62-L171 HydrophobicContact CG2-CD2 4.41Å
63	E	93.8	Very high	95.9	Very high	118 Å²	118	42.1 Å²	42.1	55%	0.551	24%	0.242	S	C	*	.			trans	-71.9	110.6	175.3	-178.7	58.1	-103	0	0	110	T65 K67	E63-T65 WeakPolarHBondContact OE1-CA 3.48Å; E63-T65 WeakPolarHBondContact OE1-CB 3.39Å; E63-T65 PolarHBondContact OE1-N 2.9Å; E63-T65 PolarHBondContact OE1-OG1 3.42Å; E63-K67 WeakPolarHBondContact O-CG 3.46Å
64	L	95.3	Very high	95.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	25%	0.245	C	C	.	.			trans	-95.9	-23.4	176.1	-72.1	171.9	0	0	0	112.2	L57 V62 G66 K67 A83 L86 A88 I140	L57-L64 HydrophobicContact CB-CD1 4.28Å; L57-L64 HydrophobicContact CD1-CD1 4.4Å; L57-L64 HydrophobicContact CD2-CD1 4.21Å; V62-L64 PolarHBondContact O-N 3.24Å; L64-G66 PolarHBondContact O-N 3.08Å; L64-K67 VanDerWaalsContact O-CB 3.28Å; L64-K67 WeakPolarHBondContact O-CB 3.4Å; L64-K67 WeakPolarHBondContact O-CG 3.39Å; L64-K67 PolarHBondContact O-N 3.1Å; L64-A83 HydrophobicContact CD1-CB 4.24Å; L64-L86 HydrophobicContact CD1-CB 3.69Å; L64-L86 HydrophobicContact CD1-CD1 3.79Å; L64-L86 HydrophobicContact CD1-CG 4.42Å; L64-A88 VanDerWaalsContact O-CA 3.25Å; L64-A88 WeakPolarHBondContact O-CA 3.24Å; L64-I140 HydrophobicContact CD2-CG1 4.33Å
65	T	95.9	Very high	95.8	Very high	94 Å²	94	42.9 Å²	42.9	58%	0.577	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-58.5	125	-174.6	-49.8	0	0	0	0	110.4	E63 K67	E63-T65 WeakPolarHBondContact OE1-CA 3.48Å; E63-T65 WeakPolarHBondContact OE1-CB 3.39Å; E63-T65 PolarHBondContact OE1-N 2.9Å; E63-T65 PolarHBondContact OE1-OG1 3.42Å; T65-K67 PolarHBondContact O-N 2.93Å
66	G	94.4	Very high	95.8	Very high	45 Å²	45	39.7 Å²	39.7	46%	0.464	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-4.8	179.1	0	0	0	0	0	115.2	L64 G87 K89	L64-G66 PolarHBondContact O-N 3.08Å; G66-G87 PolarHBondContact N-O 3.25Å; G66-K89 VanDerWaalsContact C-CB 3.47Å; G66-K89 WeakPolarHBondContact O-CB 3.41Å
67	K	98.2	Very high	95.8	Very high	72 Å²	72	39 Å²	39	31%	0.313	23%	0.231	S	C	.	.			trans	-82.9	151.5	-177	-59.7	-53.3	-170	171.5	0	113.7	E63 L64 T65 A88 K89 K90 D139 I140	E63-K67 WeakPolarHBondContact O-CG 3.46Å; L64-K67 VanDerWaalsContact O-CB 3.28Å; L64-K67 WeakPolarHBondContact O-CB 3.4Å; L64-K67 WeakPolarHBondContact O-CG 3.39Å; L64-K67 PolarHBondContact O-N 3.1Å; T65-K67 PolarHBondContact O-N 2.93Å; K67-A88 CarbonylContact O-C 3.6Å; K67-K89 WeakPolarHBondContact O-CB 3.22Å; K67-K89 PolarHBondContact O-N 2.71Å; K67-K90 PolarHBondContact O-N 2.99Å; K67-D139 WeakPolarHBondContact CA-OD2 3.43Å; K67-D139 HydrophobicContact CB-CB 4.04Å; K67-D139 HydrophobicContact CD-CB 3.86Å; K67-D139 HydrophobicContact CG-CB 4.34Å; K67-I140 HydrophobicContact CB-CG1 4.27Å; K67-I140 HydrophobicContact CG-CG1 4.46Å
68	V	98.6	Very high	95.8	Very high	37 Å²	37	38.9 Å²	38.9	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.9	169.9	-177.1	0	0	0	0	108.7	K90 F138 D139 I140	V68-K90 CarbonylContact C-O 3.52Å; V68-K90 WeakPolarHBondContact CA-O 3.29Å; V68-K90 HydrophobicContact CG1-CB 4.37Å; V68-F138 HydrophobicContact CG1-CD1 3.88Å; V68-F138 HydrophobicContact CG1-CE1 4.23Å; V68-D139 PolarHBondContact N-OD2 3.31Å; V68-D139 PolarHBondContact O-N 3.32Å; V68-I140 PolarHBondContact O-N 3.1Å
69	A	98.8	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.5	-176.1	0	0	0	0	0	112.5	K90 V91 T92 I140	A69-K90 PolarHBondContact N-O 2.94Å; A69-V91 HydrophobicContact CB-CG1 4.44Å; A69-V91 HydrophobicContact CB-CG2 4.43Å; A69-V91 CarbonylContact O-C 3.54Å; A69-V91 WeakPolarHBondContact O-CA 3.41Å; A69-T92 PolarHBondContact O-N 3.37Å; A69-I140 CarbonylContact C-O 3.57Å; A69-I140 VanDerWaalsContact CA-O 3.26Å; A69-I140 WeakPolarHBondContact CA-O 3.26Å; A69-I140 HydrophobicContact CB-CB 4.13Å
70	I	98.9	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.1	167.1	-176.2	162.2	0	0	0	110.4	L72 T92 T94 L124 Y133 F138 I140 V141 L142 L163	I70-L72 HydrophobicContact CG1-CD2 4.47Å; I70-T92 CarbonylContact C-O 3.58Å; I70-T92 WeakPolarHBondContact CA-O 3.4Å; I70-T92 HydrophobicContact CD1-CG2 4.27Å; I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 WeakPolarHBondContact CG1-O 3.41Å; I70-T94 HydrophobicContact CD1-CG2 3.94Å; I70-T94 HydrophobicContact CG1-CG2 4Å; I70-L124 HydrophobicContact CD1-CD2 4.23Å; I70-Y133 HydrophobicContact CD1-CD1 4.08Å; I70-Y133 HydrophobicContact CD1-CE1 4.11Å; I70-F138 HydrophobicContact CB-CD1 3.52Å; I70-F138 HydrophobicContact CB-CD2 4.45Å; I70-F138 HydrophobicContact CB-CE1 3.57Å; I70-F138 HydrophobicContact CB-CG 3.99Å; I70-F138 HydrophobicContact CB-CZ 4.08Å; I70-F138 HydrophobicContact CD1-CE1 4.13Å; I70-F138 HydrophobicContact CD1-CE2 4.12Å; I70-F138 HydrophobicContact CD1-CZ 3.78Å; I70-F138 HydrophobicContact CG1-CE1 4.37Å; I70-F138 HydrophobicContact CG1-CZ 4.5Å; I70-F138 HydrophobicContact CG2-CB 3.91Å; I70-F138 HydrophobicContact CG2-CD1 3.54Å; I70-F138 HydrophobicContact CG2-CD2 3.83Å; I70-F138 HydrophobicContact CG2-CE1 4Å; I70-F138 HydrophobicContact CG2-CE2 4.27Å; I70-F138 HydrophobicContact CG2-CG 3.45Å; I70-F138 VanDerWaalsContact CG2-CG 3.45Å; I70-F138 HydrophobicContact CG2-CZ 4.33Å; I70-I140 PolarHBondContact N-O 2.79Å; I70-V141 HydrophobicContact CG2-CB 4.29Å; I70-V141 HydrophobicContact CG2-CG1 4.21Å; I70-V141 HydrophobicContact CG2-CG2 3.87Å; I70-V141 CarbonylContact O-C 3.45Å; I70-V141 WeakPolarHBondContact O-CA 3.33Å; I70-L142 PolarHBondContact O-N 3.03Å; I70-L163 HydrophobicContact CD1-CD1 4.02Å; I70-L163 HydrophobicContact CD1-CD2 4.14Å; I70-L163 HydrophobicContact CG2-CD1 4.22Å
71	E	98.9	Very high	96.6	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.023	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	172.1	-175	-177.2	-169.7	0	0	110	A74 V79 G80 T92 I93 T94 L142	E71-A74 VanDerWaalsContact CD-CB 3.43Å; E71-A74 HydrophobicContact CG-CB 3.92Å; E71-A74 WeakPolarHBondContact OE2-CB 3.36Å; E71-V79 VanDerWaalsContact OE1-CB 3.28Å; E71-V79 WeakPolarHBondContact OE1-CB 3.42Å; E71-G80 WeakPolarHBondContact OE2-CA 3.33Å; E71-G80 PolarHBondContact OE2-N 2.85Å; E71-T92 PolarHBondContact N-O 3Å; E71-I93 HydrophobicContact CB-CG2 4.41Å; E71-I93 WeakPolarHBondContact OE2-CG2 3.45Å; E71-T94 WeakPolarHBondContact O-CB 3.46Å; E71-T94 PolarHBondContact O-N 3.26Å; E71-T94 PolarHBondContact O-OG1 3.42Å; E71-L142 WeakPolarHBondContact CA-O 3.45Å; E71-L142 HydrophobicContact CB-CB 4.3Å; E71-L142 HydrophobicContact CG-CB 4.31Å
72	L	98.8	Very high	97.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	176.7	-58	-178.6	0	0	0	110	I70 L124 V141 L142 I146 L156 T159 M160 L163	I70-L72 HydrophobicContact CG1-CD2 4.47Å; L72-L124 HydrophobicContact CD2-CD2 3.52Å; L72-V141 HydrophobicContact CD1-CG1 3.86Å; L72-V141 HydrophobicContact CG-CG1 4.11Å; L72-L142 PolarHBondContact N-O 2.8Å; L72-I146 HydrophobicContact CB-CD1 4.02Å; L72-I146 WeakPolarHBondContact O-CG2 3.41Å; L72-L156 HydrophobicContact CD1-CD1 3.97Å; L72-T159 HydrophobicContact CD1-CG2 4.33Å; L72-T159 HydrophobicContact CD2-CG2 4.04Å; L72-M160 HydrophobicContact CD1-CG 3.93Å; L72-L163 HydrophobicContact CD2-CD1 3.72Å
73	G	98.1	Very high	97.6	Very high	18 Å²	18	19.9 Å²	19.9	19%	0.186	12%	0.122	C	C	.	.	S	Bend	trans	62	49.2	175.8	0	0	0	0	0	112.4	G75 T94 D95	G73-G75 VanDerWaalsContact C-N 3.26Å; G73-G75 PolarHBondContact O-N 2.88Å; G73-T94 PolarHBondContact N-O 3.43Å; G73-D95 WeakPolarHBondContact CA-OD2 3.35Å
74	A	98.1	Very high	97.8	Very high	9 Å²	9	14.3 Å²	14.3	7%	0.074	10%	0.096	C	C	.	.			trans	-66.5	-22.4	-169.3	0	0	0	0	0	114.6	E71 T76 G77 I93 T94 D95 L103	E71-A74 VanDerWaalsContact CD-CB 3.43Å; E71-A74 HydrophobicContact CG-CB 3.92Å; E71-A74 WeakPolarHBondContact OE2-CB 3.36Å; A74-T76 PolarHBondContact O-N 2.79Å; A74-G77 PolarHBondContact O-N 3.05Å; A74-I93 HydrophobicContact CB-CG2 3.37Å; A74-T94 WeakPolarHBondContact CB-O 3.34Å; A74-T94 PolarHBondContact N-O 2.83Å; A74-D95 PolarHBondContact N-OD2 2.82Å; A74-D95 VanDerWaalsContact N-OD2 3.11Å; A74-L103 HydrophobicContact CB-CD1 4.07Å; A74-L103 HydrophobicContact CB-CD2 4.17Å
75	G	96.4	Very high	97.8	Very high	8 Å²	8	15.2 Å²	15.2	8%	0.082	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-103.2	-174.7	0	0	0	0	0	111.9	A43 G73 G77 D95	A43-G75 CarbonylContact O-C 3.6Å; A43-G75 VanDerWaalsContact O-CA 3.26Å; A43-G75 WeakPolarHBondContact O-CA 3.39Å; G73-G75 VanDerWaalsContact C-N 3.26Å; G73-G75 PolarHBondContact O-N 2.88Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G75-D95 WeakPolarHBondContact CA-OD2 3.26Å; G75-D95 PolarHBondContact N-OD2 2.81Å
76	T	95.9	Very high	97.9	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.025	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.2	177	55.4	0	0	0	0	113.8	A43 V46 A74 F102 N106	A43-T76 PolarHBondContact O-N 2.86Å; V46-T76 HydrophobicContact CG2-CG2 4.02Å; A74-T76 PolarHBondContact O-N 2.79Å; T76-F102 HydrophobicContact CG2-CE1 4.2Å; T76-N106 VanDerWaalsContact O-CB 3.25Å; T76-N106 WeakPolarHBondContact O-CB 3.39Å; T76-N106 PolarHBondContact O-ND2 3.43Å; T76-N106 VanDerWaalsContact O-ND2 3.11Å
77	G	97.8	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.			trans	94.4	7.8	178.6	0	0	0	0	0	116	A74 G75 V79 G80 I81	A74-G77 PolarHBondContact O-N 3.05Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G77-V79 PolarHBondContact O-N 2.8Å; G77-G80 PolarHBondContact O-N 2.98Å; G77-I81 WeakPolarHBondContact O-CB 3.45Å; G77-I81 WeakPolarHBondContact O-CD1 3.38Å; G77-I81 WeakPolarHBondContact O-CG1 3.27Å; G77-I81 PolarHBondContact O-N 2.81Å
78	L	98.5	Very high	97.9	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-52.1	-50.6	-173.2	-177.3	60.1	0	0	0	112.6	F24 F26 V31 L33 V46 A50 V51 I81 V82	F24-L78 HydrophobicContact CD2-CD1 4Å; F24-L78 HydrophobicContact CD2-CD2 4.31Å; F24-L78 HydrophobicContact CE2-CD2 4.26Å; F24-L78 HydrophobicContact CG-CD1 4.38Å; F24-L78 HydrophobicContact CZ-CD2 4.4Å; F26-L78 HydrophobicContact CD2-CD1 4.39Å; F26-L78 HydrophobicContact CE2-CD1 4.49Å; V31-L78 HydrophobicContact CG1-CD1 3.91Å; L33-L78 HydrophobicContact CD1-CB 3.58Å; L33-L78 HydrophobicContact CD1-CD1 3.68Å; L33-L78 HydrophobicContact CD1-CD2 4.48Å; L33-L78 HydrophobicContact CD1-CG 4.05Å; V46-L78 HydrophobicContact CG1-CD2 3.65Å; A50-L78 HydrophobicContact CB-CD2 4.32Å; V51-L78 HydrophobicContact CG2-CD2 4.22Å; L78-I81 PolarHBondContact O-N 2.9Å; L78-V82 HydrophobicContact CD1-CG2 4.12Å; L78-V82 WeakPolarHBondContact O-CG2 3.32Å; L78-V82 PolarHBondContact O-N 3.18Å
79	V	98.6	Very high	97.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-44.7	-172.6	-170.4	0	0	0	0	111	A50 M53 L57 E71 G77 I81 V82 A83 L142 A144	A50-V79 HydrophobicContact CB-CG2 3.78Å; M53-V79 HydrophobicContact CB-CG1 4.31Å; M53-V79 HydrophobicContact CB-CG2 4.25Å; M53-V79 HydrophobicContact CG-CG1 3.51Å; M53-V79 HydrophobicContact CG-CG2 4.27Å; L57-V79 HydrophobicContact CD1-CG1 3.95Å; E71-V79 VanDerWaalsContact OE1-CB 3.28Å; E71-V79 WeakPolarHBondContact OE1-CB 3.42Å; G77-V79 PolarHBondContact O-N 2.8Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 PolarHBondContact O-N 2.93Å; V79-V82 PolarHBondContact O-N 3.29Å; V79-A83 WeakPolarHBondContact O-CB 3.41Å; V79-A83 PolarHBondContact O-N 3.43Å; V79-L142 HydrophobicContact CG1-CB 4.44Å; V79-L142 HydrophobicContact CG1-CD1 4.05Å; V79-A144 HydrophobicContact CG2-CB 4Å
80	G	98.6	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.8	-36.8	177.1	0	0	0	0	0	113	E71 G77 A84	E71-G80 WeakPolarHBondContact OE2-CA 3.33Å; E71-G80 PolarHBondContact OE2-N 2.85Å; G77-G80 PolarHBondContact O-N 2.98Å; G80-A84 WeakPolarHBondContact O-CB 3.21Å; G80-A84 PolarHBondContact O-N 3.44Å
81	I	98.6	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-51.9	172.7	-71.5	162	0	0	0	109.8	V31 L33 G77 L78 V79 A83 A84 L85 I93 V107 N110 I111	V31-I81 HydrophobicContact CG1-CG2 4.13Å; V31-I81 HydrophobicContact CG2-CG2 4.34Å; L33-I81 HydrophobicContact CD2-CD1 3.8Å; G77-I81 WeakPolarHBondContact O-CB 3.45Å; G77-I81 WeakPolarHBondContact O-CD1 3.38Å; G77-I81 WeakPolarHBondContact O-CG1 3.27Å; G77-I81 PolarHBondContact O-N 2.81Å; L78-I81 PolarHBondContact O-N 2.9Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 PolarHBondContact O-N 2.93Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 2.88Å; I81-A84 WeakPolarHBondContact O-CB 3.43Å; I81-A84 PolarHBondContact O-N 2.84Å; I81-A84 VanDerWaalsContact O-N 3.1Å; I81-L85 HydrophobicContact CG2-CD1 3.93Å; I81-L85 HydrophobicContact CG2-CG 4.44Å; I81-L85 WeakPolarHBondContact O-CG 3.41Å; I81-L85 PolarHBondContact O-N 2.63Å; I81-I93 HydrophobicContact CG1-CD1 4.46Å; I81-V107 HydrophobicContact CD1-CG2 4.18Å; I81-V107 HydrophobicContact CG1-CG2 4.06Å; I81-N110 HydrophobicContact CD1-CB 4.11Å; I81-N110 HydrophobicContact CG2-CB 3.83Å; I81-I111 HydrophobicContact CB-CD1 4.39Å; I81-I111 HydrophobicContact CG1-CD1 4.33Å; I81-I111 HydrophobicContact CG2-CD1 4.1Å
82	V	98.3	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-41.3	179.7	171.1	0	0	0	0	111.4	F26 C54 L78 V79 A84 L85 L86	F26-V82 HydrophobicContact CB-CG1 4.17Å; F26-V82 HydrophobicContact CB-CG2 3.7Å; F26-V82 HydrophobicContact CD2-CG2 3.8Å; F26-V82 HydrophobicContact CG-CG1 4.46Å; F26-V82 HydrophobicContact CG-CG2 3.9Å; C54-V82 HydrophobicContact CB-CB 4.33Å; C54-V82 HydrophobicContact CB-CG1 4.06Å; C54-V82 HydrophobicContact CB-CG2 4.14Å; L78-V82 HydrophobicContact CD1-CG2 4.12Å; L78-V82 WeakPolarHBondContact O-CG2 3.32Å; L78-V82 PolarHBondContact O-N 3.18Å; V79-V82 PolarHBondContact O-N 3.29Å; V82-A84 VanDerWaalsContact C-N 3.26Å; V82-A84 PolarHBondContact O-N 3Å; V82-L85 PolarHBondContact O-N 3.15Å; V82-L85 VanDerWaalsContact O-N 3.1Å; V82-L86 HydrophobicContact CG1-CD1 3.71Å; V82-L86 HydrophobicContact CG1-CG 4.2Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3Å
83	A	98.3	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.8	-38.1	175.1	0	0	0	0	0	112.2	L64 V79 I81 A88 V91 L142	L64-A83 HydrophobicContact CD1-CB 4.24Å; V79-A83 WeakPolarHBondContact O-CB 3.41Å; V79-A83 PolarHBondContact O-N 3.43Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 2.88Å; A83-A88 WeakPolarHBondContact O-CB 3.37Å; A83-A88 PolarHBondContact O-N 3.3Å; A83-V91 HydrophobicContact CB-CG2 4.49Å; A83-L142 HydrophobicContact CB-CD1 3.94Å
84	A	97.9	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-69.3	-37.4	174.4	0	0	0	0	0	112.3	G80 I81 V82 L86 G87 V91 I111 R115 V119	G80-A84 WeakPolarHBondContact O-CB 3.21Å; G80-A84 PolarHBondContact O-N 3.44Å; I81-A84 WeakPolarHBondContact O-CB 3.43Å; I81-A84 PolarHBondContact O-N 2.84Å; I81-A84 VanDerWaalsContact O-N 3.1Å; V82-A84 VanDerWaalsContact C-N 3.26Å; V82-A84 PolarHBondContact O-N 3Å; A84-L86 VanDerWaalsContact C-N 3.35Å; A84-G87 PolarHBondContact O-N 3.3Å; A84-V91 HydrophobicContact CB-CB 4.42Å; A84-V91 HydrophobicContact CB-CG2 3.82Å; A84-I111 HydrophobicContact CB-CD1 3.81Å; A84-R115 PolarHBondContact O-NE 2.99Å; A84-R115 PolarHBondContact O-NH2 2.86Å; A84-V119 HydrophobicContact CB-CG2 3.47Å; A84-V119 VanDerWaalsContact CB-CG2 3.47Å
85	L	97.1	Very high	97.9	Very high	23 Å²	23	17.7 Å²	17.7	12%	0.12	9%	0.09	C	C	.	.	H	α-helix	trans	-69.5	-34	177	-65.1	171.3	0	0	0	112	A27 H29 V31 I81 V82 G87 P112	A27-L85 HydrophobicContact CB-CB 3.72Å; H29-L85 HydrophobicContact CB-CD1 3.93Å; V31-L85 HydrophobicContact CG2-CD1 3.89Å; I81-L85 HydrophobicContact CG2-CD1 3.93Å; I81-L85 HydrophobicContact CG2-CG 4.44Å; I81-L85 WeakPolarHBondContact O-CG 3.41Å; I81-L85 PolarHBondContact O-N 2.63Å; V82-L85 PolarHBondContact O-N 3.15Å; V82-L85 VanDerWaalsContact O-N 3.1Å; L85-G87 PolarHBondContact O-N 3.06Å; L85-G87 VanDerWaalsContact O-N 3.14Å; L85-P112 HydrophobicContact CD2-CG 3.96Å
86	L	96.8	Very high	97.9	Very high	42 Å²	42	23 Å²	23	22%	0.22	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	11	175.5	-68.1	171.8	0	0	0	114.4	A27 L57 L64 V82 A84	A27-L86 HydrophobicContact CB-CD2 3.6Å; A27-L86 HydrophobicContact CB-CG 3.93Å; L57-L86 HydrophobicContact CB-CD1 3.65Å; L64-L86 HydrophobicContact CD1-CB 3.69Å; L64-L86 HydrophobicContact CD1-CD1 3.79Å; L64-L86 HydrophobicContact CD1-CG 4.42Å; V82-L86 HydrophobicContact CG1-CD1 3.71Å; V82-L86 HydrophobicContact CG1-CG 4.2Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 3Å; A84-L86 VanDerWaalsContact C-N 3.35Å
87	G	95.9	Very high	97.9	Very high	21 Å²	21	28.8 Å²	28.8	22%	0.216	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	10	168.7	0	0	0	0	0	116.4	G66 A84 L85 K89	G66-G87 PolarHBondContact N-O 3.25Å; A84-G87 PolarHBondContact O-N 3.3Å; L85-G87 PolarHBondContact O-N 3.06Å; L85-G87 VanDerWaalsContact O-N 3.14Å; G87-K89 PolarHBondContact O-N 3.26Å
88	A	97.8	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-51.8	129.7	170.3	0	0	0	0	0	111.4	L64 K67 A83 K90 V91 R115	L64-A88 VanDerWaalsContact O-CA 3.25Å; L64-A88 WeakPolarHBondContact O-CA 3.24Å; K67-A88 CarbonylContact O-C 3.6Å; A83-A88 WeakPolarHBondContact O-CB 3.37Å; A83-A88 PolarHBondContact O-N 3.3Å; A88-K90 VanDerWaalsContact C-N 3.27Å; A88-K90 PolarHBondContact O-N 2.9Å; A88-V91 HydrophobicContact CB-CG2 3.5Å; A88-R115 PolarHBondContact O-NH2 2.64Å
89	K	97.9	Very high	97.4	Very high	144 Å²	144	33 Å²	33	63%	0.626	16%	0.162	S	C	*	.	S	Bend	trans	-61.6	-38.9	-177.2	177.6	179.1	178.1	-178.1	0	111.8	G66 K67 G87 A118	G66-K89 VanDerWaalsContact C-CB 3.47Å; G66-K89 WeakPolarHBondContact O-CB 3.41Å; K67-K89 WeakPolarHBondContact O-CB 3.22Å; K67-K89 PolarHBondContact O-N 2.71Å; G87-K89 PolarHBondContact O-N 3.26Å; K89-A118 WeakPolarHBondContact O-CB 3.39Å
90	K	98.5	Very high	97.3	Very high	104 Å²	104	34.6 Å²	34.6	45%	0.452	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	133.1	177.3	-174	175	-177.6	177.3	0	109.6	K67 V68 A69 A88 A118	K67-K90 PolarHBondContact O-N 2.99Å; V68-K90 CarbonylContact C-O 3.52Å; V68-K90 WeakPolarHBondContact CA-O 3.29Å; V68-K90 HydrophobicContact CG1-CB 4.37Å; A69-K90 PolarHBondContact N-O 2.94Å; A88-K90 VanDerWaalsContact C-N 3.27Å; A88-K90 PolarHBondContact O-N 2.9Å; K90-A118 CarbonylContact C-O 3.53Å; K90-A118 VanDerWaalsContact CA-O 3.25Å; K90-A118 WeakPolarHBondContact CA-O 3.44Å
91	V	98.7	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.8	175.9	-169.7	0	0	0	0	109.3	A69 A83 A84 A88 I93 A118 V119 K120	A69-V91 HydrophobicContact CB-CG1 4.44Å; A69-V91 HydrophobicContact CB-CG2 4.43Å; A69-V91 CarbonylContact O-C 3.54Å; A69-V91 WeakPolarHBondContact O-CA 3.41Å; A83-V91 HydrophobicContact CB-CG2 4.49Å; A84-V91 HydrophobicContact CB-CB 4.42Å; A84-V91 HydrophobicContact CB-CG2 3.82Å; A88-V91 HydrophobicContact CB-CG2 3.5Å; V91-I93 HydrophobicContact CG1-CD1 4.38Å; V91-I93 HydrophobicContact CG1-CG1 3.72Å; V91-A118 PolarHBondContact N-O 2.89Å; V91-V119 WeakPolarHBondContact O-CA 3.28Å; V91-K120 PolarHBondContact O-N 3.05Å
92	T	98.8	Very high	96.8	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.7	169.9	-55.3	0	0	0	0	108.5	A69 I70 E71 T94 K120 Y133	A69-T92 PolarHBondContact O-N 3.37Å; I70-T92 CarbonylContact C-O 3.58Å; I70-T92 WeakPolarHBondContact CA-O 3.4Å; I70-T92 HydrophobicContact CD1-CG2 4.27Å; I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 WeakPolarHBondContact CG1-O 3.41Å; E71-T92 PolarHBondContact N-O 3Å; T92-T94 HydrophobicContact CG2-CG2 3.71Å; T92-K120 CarbonylContact C-O 3.59Å; T92-K120 VanDerWaalsContact CA-O 3.32Å; T92-K120 WeakPolarHBondContact CA-O 3.33Å; T92-Y133 HydrophobicContact CG2-CE1 4.12Å
93	I	98.8	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119	-176.2	-49.4	178.1	0	0	0	107.7	E71 A74 I81 V91 L103 V107 V119 K120 V121 S122	E71-I93 HydrophobicContact CB-CG2 4.41Å; E71-I93 WeakPolarHBondContact OE2-CG2 3.45Å; A74-I93 HydrophobicContact CB-CG2 3.37Å; I81-I93 HydrophobicContact CG1-CD1 4.46Å; V91-I93 HydrophobicContact CG1-CD1 4.38Å; V91-I93 HydrophobicContact CG1-CG1 3.72Å; I93-L103 HydrophobicContact CG2-CD1 3.75Å; I93-L103 HydrophobicContact CG2-CD2 4.04Å; I93-L103 HydrophobicContact CG2-CG 4.34Å; I93-V107 HydrophobicContact CD1-CG1 4.47Å; I93-V107 HydrophobicContact CD1-CG2 3.72Å; I93-V119 HydrophobicContact CD1-CG1 3.56Å; I93-V119 HydrophobicContact CG1-CG1 4.09Å; I93-K120 PolarHBondContact N-O 3.43Å; I93-V121 WeakPolarHBondContact O-CA 3.44Å; I93-S122 PolarHBondContact O-N 3.42Å
94	T	98.8	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.5	-168	76.3	0	0	0	0	114.2	I70 E71 G73 A74 T92 S122 L124	I70-T94 HydrophobicContact CD1-CG2 3.94Å; I70-T94 HydrophobicContact CG1-CG2 4Å; E71-T94 WeakPolarHBondContact O-CB 3.46Å; E71-T94 PolarHBondContact O-N 3.26Å; E71-T94 PolarHBondContact O-OG1 3.42Å; G73-T94 PolarHBondContact N-O 3.43Å; A74-T94 WeakPolarHBondContact CB-O 3.34Å; A74-T94 PolarHBondContact N-O 2.83Å; T92-T94 HydrophobicContact CG2-CG2 3.71Å; T94-S122 VanDerWaalsContact CA-O 3.23Å; T94-S122 WeakPolarHBondContact CA-O 3.49Å; T94-S122 VanDerWaalsContact CB-O 3.31Å; T94-S122 WeakPolarHBondContact CB-O 3.34Å; T94-L124 HydrophobicContact CG2-CB 4.11Å; T94-L124 HydrophobicContact CG2-CD2 4.41Å
95	D	98.4	Very high	96.7	Very high	15 Å²	15	43 Å²	43	8%	0.08	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	180	168.7	-147.3	-62.4	0	0	0	109.2	G73 A74 G75 A99 L103 E123 L124	G73-D95 WeakPolarHBondContact CA-OD2 3.35Å; A74-D95 PolarHBondContact N-OD2 2.82Å; A74-D95 VanDerWaalsContact N-OD2 3.11Å; G75-D95 WeakPolarHBondContact CA-OD2 3.26Å; G75-D95 PolarHBondContact N-OD2 2.81Å; D95-A99 HydrophobicContact CB-CB 3.89Å; D95-L103 HydrophobicContact CB-CD2 4.19Å; D95-E123 WeakPolarHBondContact O-CA 3.3Å; D95-L124 PolarHBondContact O-N 3.06Å
96	R	96.1	Very high	96.7	Very high	121 Å²	121	42 Å²	42	46%	0.457	24%	0.236	S	C	.	.			trans	-73	155.2	172.9	-60	-177	-65.8	174.2	-0.2	110.4	P98 A99 T125	R96-P98 VanDerWaalsContact C-N 3.3Å; R96-A99 PolarHBondContact O-N 3.45Å; R96-T125 HydrophobicContact CG-CG2 4.45Å
97	E	95.5	Very high	96.7	Very high	125 Å²	125	40.4 Å²	40.4	58%	0.584	23%	0.228	S	C	*	.	H	α-helix	trans	-42.6	-45.9	-176.1	-171.4	-77.6	159.5	0	0	114.7	A99 L100 E123	E97-A99 PolarHBondContact O-N 2.97Å; E97-A99 VanDerWaalsContact O-N 3.1Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 2.98Å; E97-E123 HydrophobicContact CB-CG 4.34Å
98	P	93.7	Very high	96.8	Very high	83 Å²	83	47.4 Å²	47.4	54%	0.539	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-25.4	-176.4	-26.2	36.5	0	0	0	114.7	L40 R96	L40-P98 WeakPolarHBondContact CD2-O 3.26Å; R96-P98 VanDerWaalsContact C-N 3.3Å
99	A	93.1	Very high	96.7	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-90.1	-16.1	180	0	0	0	0	0	112.9	A43 D95 R96 E97 G101 F102 L103	A43-A99 HydrophobicContact CB-CB 4.09Å; D95-A99 HydrophobicContact CB-CB 3.89Å; R96-A99 PolarHBondContact O-N 3.45Å; E97-A99 PolarHBondContact O-N 2.97Å; E97-A99 VanDerWaalsContact O-N 3.1Å; A99-G101 PolarHBondContact O-N 3.05Å; A99-F102 WeakPolarHBondContact O-CB 3.45Å; A99-F102 PolarHBondContact O-N 3.33Å; A99-F102 VanDerWaalsContact O-N 3.13Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.23Å
100	L	95.4	Very high	96.7	Very high	35 Å²	35	46 Å²	46	18%	0.183	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-41	-168.7	-69.9	-178.8	0	0	0	114.2	E97 F102 L103 A104 V121 E123	E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 2.98Å; L100-F102 PolarHBondContact O-N 3.23Å; L100-L103 HydrophobicContact CD2-CD2 4.39Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 3.33Å; L100-V121 HydrophobicContact CD2-CG1 4.1Å; L100-E123 HydrophobicContact CD1-CB 3.57Å; L100-E123 HydrophobicContact CD1-CG 3.86Å
101	G	94.5	Very high	96.7	Very high	60 Å²	60	41.5 Å²	41.5	62%	0.619	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-37.5	178.5	0	0	0	0	0	111.8	A99 A105	A99-G101 PolarHBondContact O-N 3.05Å; G101-A105 PolarHBondContact O-N 3.12Å
102	F	92.8	Very high	96.5	Very high	23 Å²	23	42.8 Å²	42.8	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-73.1	-48.3	179	-165.2	-101.2	0	0	0	111.7	T34 D36 L40 A44 T76 A99 L100 A104 A105 N106	T34-F102 VanDerWaalsContact C-CZ 3.45Å; T34-F102 HydrophobicContact CG2-CE2 3.92Å; T34-F102 HydrophobicContact CG2-CZ 4.01Å; T34-F102 WeakPolarHBondContact O-CE1 3.31Å; T34-F102 WeakPolarHBondContact O-CZ 3.34Å; D36-F102 HydrophobicContact CB-CE2 4.17Å; D36-F102 HydrophobicContact CB-CZ 4.45Å; L40-F102 HydrophobicContact CD1-CB 3.59Å; L40-F102 HydrophobicContact CD1-CD2 4.17Å; L40-F102 HydrophobicContact CD1-CG 3.9Å; A44-F102 HydrophobicContact CB-CE1 4.45Å; T76-F102 HydrophobicContact CG2-CE1 4.2Å; A99-F102 WeakPolarHBondContact O-CB 3.45Å; A99-F102 PolarHBondContact O-N 3.33Å; A99-F102 VanDerWaalsContact O-N 3.13Å; L100-F102 PolarHBondContact O-N 3.23Å; F102-A104 VanDerWaalsContact C-N 3.33Å; F102-A104 PolarHBondContact O-N 3.34Å; F102-A105 PolarHBondContact O-N 3.17Å; F102-N106 PolarHBondContact O-N 3.48Å
103	L	96.8	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56	-47	174.9	175.7	59	0	0	0	111.7	A74 I93 D95 A99 L100 A105 N106 V107 V121	A74-L103 HydrophobicContact CB-CD1 4.07Å; A74-L103 HydrophobicContact CB-CD2 4.17Å; I93-L103 HydrophobicContact CG2-CD1 3.75Å; I93-L103 HydrophobicContact CG2-CD2 4.04Å; I93-L103 HydrophobicContact CG2-CG 4.34Å; D95-L103 HydrophobicContact CB-CD2 4.19Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.23Å; L100-L103 HydrophobicContact CD2-CD2 4.39Å; L100-L103 PolarHBondContact O-N 2.94Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.99Å; L103-N106 PolarHBondContact O-N 3.41Å; L103-V107 HydrophobicContact CD1-CG2 4.03Å; L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 3.31Å; L103-V121 HydrophobicContact CD2-CG1 3.89Å; L103-V121 HydrophobicContact CG-CG1 4.03Å; L103-V121 HydrophobicContact CG-CG2 4.42Å
104	A	97.8	Very high	96	Very high	42 Å²	42	54.3 Å²	54.3	35%	0.347	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-36.2	-179.7	0	0	0	0	0	113.1	L100 F102 K108 V121	L100-A104 WeakPolarHBondContact O-CB 3.41Å; L100-A104 PolarHBondContact O-N 3.33Å; F102-A104 VanDerWaalsContact C-N 3.33Å; F102-A104 PolarHBondContact O-N 3.34Å; A104-K108 VanDerWaalsContact O-CB 3.29Å; A104-K108 WeakPolarHBondContact O-CB 3.32Å; A104-K108 PolarHBondContact O-N 3.44Å; A104-V121 HydrophobicContact CB-CG1 4.25Å
105	A	96.8	Very high	95.6	Very high	53 Å²	53	57 Å²	57	44%	0.438	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-48.9	176.1	0	0	0	0	0	111.4	G101 F102 L103 V107 K108 E109	G101-A105 PolarHBondContact O-N 3.12Å; F102-A105 PolarHBondContact O-N 3.17Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 2.99Å; A105-V107 PolarHBondContact O-N 3.04Å; A105-K108 PolarHBondContact O-N 3.27Å; A105-E109 PolarHBondContact O-N 3.48Å
106	N	97.7	Very high	95.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-44	177.6	-81.3	-20.6	0	0	0	112.1	L33 T34 T76 F102 L103 K108 E109 N110	L33-N106 HydrophobicContact CD2-CB 3.75Å; T34-N106 WeakPolarHBondContact CB-OD1 3.32Å; T34-N106 PolarHBondContact N-OD1 3.4Å; T34-N106 PolarHBondContact O-ND2 2.85Å; T76-N106 VanDerWaalsContact O-CB 3.25Å; T76-N106 WeakPolarHBondContact O-CB 3.39Å; T76-N106 PolarHBondContact O-ND2 3.43Å; T76-N106 VanDerWaalsContact O-ND2 3.11Å; F102-N106 PolarHBondContact O-N 3.48Å; L103-N106 PolarHBondContact O-N 3.41Å; N106-K108 VanDerWaalsContact C-N 3.33Å; N106-K108 PolarHBondContact O-N 3.03Å; N106-E109 PolarHBondContact O-N 2.94Å; N106-N110 PolarHBondContact O-N 3.39Å; N106-N110 PolarHBondContact O-ND2 2.95Å
107	V	97.9	Very high	95.1	Very high	10 Å²	10	58.6 Å²	58.6	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-44.4	176.8	170.6	0	0	0	0	110.9	I81 I93 L103 A105 E109 N110 I111 V119 V121	I81-V107 HydrophobicContact CD1-CG2 4.18Å; I81-V107 HydrophobicContact CG1-CG2 4.06Å; I93-V107 HydrophobicContact CD1-CG1 4.47Å; I93-V107 HydrophobicContact CD1-CG2 3.72Å; L103-V107 HydrophobicContact CD1-CG2 4.03Å; L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CG2 3.29Å; L103-V107 PolarHBondContact O-N 3.31Å; A105-V107 PolarHBondContact O-N 3.04Å; V107-E109 VanDerWaalsContact C-N 3.32Å; V107-E109 PolarHBondContact O-N 3.48Å; V107-N110 PolarHBondContact O-N 2.73Å; V107-I111 HydrophobicContact CG1-CG1 3.87Å; V107-I111 WeakPolarHBondContact O-CB 3.29Å; V107-I111 VanDerWaalsContact O-CG1 3.26Å; V107-I111 WeakPolarHBondContact O-CG1 3.32Å; V107-I111 PolarHBondContact O-N 2.91Å; V107-V119 HydrophobicContact CG1-CB 4.5Å; V107-V119 HydrophobicContact CG1-CG1 3.62Å; V107-V121 HydrophobicContact CB-CG2 3.96Å; V107-V121 HydrophobicContact CG1-CG2 4Å; V107-V121 HydrophobicContact CG2-CG2 3.84Å
108	K	96.9	Very high	95.1	Very high	168 Å²	168	53.4 Å²	53.4	73%	0.73	33%	0.331	S	S	*	.	H	α-helix	trans	-64.2	-34.9	179.6	-176.4	-179.7	175.8	-175.2	0	113	A104 A105 N106	A104-K108 VanDerWaalsContact O-CB 3.29Å; A104-K108 WeakPolarHBondContact O-CB 3.32Å; A104-K108 PolarHBondContact O-N 3.44Å; A105-K108 PolarHBondContact O-N 3.27Å; N106-K108 VanDerWaalsContact C-N 3.33Å; N106-K108 PolarHBondContact O-N 3.03Å
109	E	96.9	Very high	95.3	Very high	98 Å²	98	50.5 Å²	50.5	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-72	-29.5	179.9	-172.5	171.4	171.6	0	0	112.4	R32 A105 N106 V107	R32-E109 IonicContact NH1-OE1 3.68Å; R32-E109 PolarHBondContact NH1-OE1 2.95Å; A105-E109 PolarHBondContact O-N 3.48Å; N106-E109 PolarHBondContact O-N 2.94Å; V107-E109 VanDerWaalsContact C-N 3.32Å; V107-E109 PolarHBondContact O-N 3.48Å
110	N	97.9	Very high	95.5	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-111	-11.8	-168.1	-67.4	-79.1	0	0	0	115.3	V31 R32 I81 N106 V107 P112	V31-N110 VanDerWaalsContact CA-OD1 3.28Å; V31-N110 WeakPolarHBondContact CA-OD1 3.36Å; V31-N110 HydrophobicContact CG1-CB 4.25Å; R32-N110 PolarHBondContact N-OD1 2.92Å; R32-N110 PolarHBondContact O-ND2 3.31Å; R32-N110 PolarHBondContact O-OD1 2.78Å; I81-N110 HydrophobicContact CD1-CB 4.11Å; I81-N110 HydrophobicContact CG2-CB 3.83Å; N106-N110 PolarHBondContact O-N 3.39Å; N106-N110 PolarHBondContact O-ND2 2.95Å; V107-N110 PolarHBondContact O-N 2.73Å; N110-P112 WeakPolarHBondContact O-CD 3.38Å
111	I	97.4	Very high	95.7	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.046	34%	0.336	C	S	.	.	S	Bend	trans	-91.9	121.7	178	-63.3	-60	0	0	0	110.7	I81 A84 V107 R115 L116 V119	I81-I111 HydrophobicContact CB-CD1 4.39Å; I81-I111 HydrophobicContact CG1-CD1 4.33Å; I81-I111 HydrophobicContact CG2-CD1 4.1Å; A84-I111 HydrophobicContact CB-CD1 3.81Å; V107-I111 HydrophobicContact CG1-CG1 3.87Å; V107-I111 WeakPolarHBondContact O-CB 3.29Å; V107-I111 VanDerWaalsContact O-CG1 3.26Å; V107-I111 WeakPolarHBondContact O-CG1 3.32Å; V107-I111 PolarHBondContact O-N 2.91Å; I111-R115 HydrophobicContact CG2-CB 3.8Å; I111-L116 HydrophobicContact CB-CD2 4.02Å; I111-L116 HydrophobicContact CG2-CD2 3.87Å; I111-L116 HydrophobicContact CG2-CG 4.25Å; I111-V119 HydrophobicContact CD1-CG2 3.91Å; I111-V119 HydrophobicContact CG1-CB 4.44Å; I111-V119 HydrophobicContact CG1-CG1 4.48Å; I111-V119 HydrophobicContact CG1-CG2 4.04Å; I111-V119 HydrophobicContact CG2-CG2 4.07Å
112	P	94.8	Very high	95.9	Very high	27 Å²	27	53.8 Å²	53.8	18%	0.175	31%	0.312	C	S	.	.			trans	-57.3	148.5	175.4	-28.7	36.8	0	0	0	113.2	L85 N110 D114 R115 L116	L85-P112 HydrophobicContact CD2-CG 3.96Å; N110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-D114 VanDerWaalsContact C-N 3.27Å; P112-D114 WeakPolarHBondContact CB-OD1 3.22Å; P112-D114 PolarHBondContact O-N 3.36Å; P112-R115 HydrophobicContact CB-CG 4.38Å; P112-R115 CarbonylContact O-C 3.6Å; P112-R115 WeakPolarHBondContact O-CA 3.15Å; P112-R115 PolarHBondContact O-N 3.41Å; P112-L116 PolarHBondContact O-N 2.82Å; P112-L116 VanDerWaalsContact O-N 3.08Å
113	P	93.4	Very high	96.1	Very high	113 Å²	113	55.8 Å²	55.8	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.4	-176.6	-29.2	36.1	0	0	0	115.4	R115 L116	P113-R115 PolarHBondContact O-N 3.23Å; P113-L116 PolarHBondContact O-N 3.34Å
114	D	92.4	Very high	96.2	Very high	135 Å²	135	55.8 Å²	55.8	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.1	177.7	64.1	-49.3	0	0	0	113.2	P112	P112-D114 VanDerWaalsContact C-N 3.27Å; P112-D114 WeakPolarHBondContact CB-OD1 3.22Å; P112-D114 PolarHBondContact O-N 3.36Å
115	R	92	Very high	96.2	Very high	58 Å²	58	55.2 Å²	55.2	22%	0.219	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-11	178.5	-59.8	-68	-69.5	168.7	2.8	113.4	A84 A88 I111 P112 P113 G117 A118	A84-R115 PolarHBondContact O-NE 2.99Å; A84-R115 PolarHBondContact O-NH2 2.86Å; A88-R115 PolarHBondContact O-NH2 2.64Å; I111-R115 HydrophobicContact CG2-CB 3.8Å; P112-R115 HydrophobicContact CB-CG 4.38Å; P112-R115 CarbonylContact O-C 3.6Å; P112-R115 WeakPolarHBondContact O-CA 3.15Å; P112-R115 PolarHBondContact O-N 3.41Å; P113-R115 PolarHBondContact O-N 3.23Å; R115-G117 PolarHBondContact O-N 3.49Å; R115-G117 VanDerWaalsContact O-N 3.16Å; R115-A118 WeakPolarHBondContact O-CB 3.36Å; R115-A118 PolarHBondContact O-N 2.85Å
116	L	91.1	Very high	96.3	Very high	84 Å²	84	54.4 Å²	54.4	44%	0.44	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-54.5	-38	-178.5	-75.9	173.8	0	0	0	113	I111 P112 P113 A118 V119	I111-L116 HydrophobicContact CB-CD2 4.02Å; I111-L116 HydrophobicContact CG2-CD2 3.87Å; I111-L116 HydrophobicContact CG2-CG 4.25Å; P112-L116 PolarHBondContact O-N 2.82Å; P112-L116 VanDerWaalsContact O-N 3.08Å; P113-L116 PolarHBondContact O-N 3.34Å; L116-A118 PolarHBondContact O-N 2.89Å; L116-V119 PolarHBondContact O-N 3.38Å
117	G	92.9	Very high	96.3	Very high	84 Å²	84	55.4 Å²	55.4	87%	0.866	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.1	177.8	0	0	0	0	0	114.6	R115	R115-G117 PolarHBondContact O-N 3.49Å; R115-G117 VanDerWaalsContact O-N 3.16Å
118	A	94.3	Very high	96.3	Very high	17 Å²	17	60.6 Å²	60.6	14%	0.14	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-89.3	-13.9	179	0	0	0	0	0	112.9	K89 K90 V91 R115 L116	K89-A118 WeakPolarHBondContact O-CB 3.39Å; K90-A118 CarbonylContact C-O 3.53Å; K90-A118 VanDerWaalsContact CA-O 3.25Å; K90-A118 WeakPolarHBondContact CA-O 3.44Å; V91-A118 PolarHBondContact N-O 2.89Å; R115-A118 WeakPolarHBondContact O-CB 3.36Å; R115-A118 PolarHBondContact O-N 2.85Å; L116-A118 PolarHBondContact O-N 2.89Å
119	V	98.3	Very high	96.3	Very high	21 Å²	21	53.7 Å²	53.7	13%	0.127	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.6	-175.9	-173.7	0	0	0	0	110.7	A84 V91 I93 V107 I111 L116	A84-V119 HydrophobicContact CB-CG2 3.47Å; A84-V119 VanDerWaalsContact CB-CG2 3.47Å; V91-V119 WeakPolarHBondContact O-CA 3.28Å; I93-V119 HydrophobicContact CD1-CG1 3.56Å; I93-V119 HydrophobicContact CG1-CG1 4.09Å; V107-V119 HydrophobicContact CG1-CB 4.5Å; V107-V119 HydrophobicContact CG1-CG1 3.62Å; I111-V119 HydrophobicContact CD1-CG2 3.91Å; I111-V119 HydrophobicContact CG1-CB 4.44Å; I111-V119 HydrophobicContact CG1-CG1 4.48Å; I111-V119 HydrophobicContact CG1-CG2 4.04Å; I111-V119 HydrophobicContact CG2-CG2 4.07Å; L116-V119 PolarHBondContact O-N 3.38Å
120	K	98.1	Very high	96.4	Very high	106 Å²	106	49.5 Å²	49.5	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.7	175.2	179.7	-175.6	176.9	-167.6	0	109.5	V91 T92 I93	V91-K120 PolarHBondContact O-N 3.05Å; T92-K120 CarbonylContact C-O 3.59Å; T92-K120 VanDerWaalsContact CA-O 3.32Å; T92-K120 WeakPolarHBondContact CA-O 3.33Å; I93-K120 PolarHBondContact N-O 3.43Å
121	V	98.6	Very high	96.3	Very high	45 Å²	45	56 Å²	56	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.4	164.8	177.3	0	0	0	0	108.6	I93 L100 L103 A104 V107	I93-V121 WeakPolarHBondContact O-CA 3.44Å; L100-V121 HydrophobicContact CD2-CG1 4.1Å; L103-V121 HydrophobicContact CD2-CG1 3.89Å; L103-V121 HydrophobicContact CG-CG1 4.03Å; L103-V121 HydrophobicContact CG-CG2 4.42Å; A104-V121 HydrophobicContact CB-CG1 4.25Å; V107-V121 HydrophobicContact CB-CG2 3.96Å; V107-V121 HydrophobicContact CG1-CG2 4Å; V107-V121 HydrophobicContact CG2-CG2 3.84Å
122	S	98.3	Very high	96.3	Very high	19 Å²	19	61.5 Å²	61.5	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143	-174.7	-163.8	0	0	0	0	111.8	I93 T94 L124 Y133	I93-S122 PolarHBondContact O-N 3.42Å; T94-S122 VanDerWaalsContact CA-O 3.23Å; T94-S122 WeakPolarHBondContact CA-O 3.49Å; T94-S122 VanDerWaalsContact CB-O 3.31Å; T94-S122 WeakPolarHBondContact CB-O 3.34Å; S122-L124 PolarHBondContact O-N 3Å; S122-Y133 WeakPolarHBondContact CB-OH 3.36Å; S122-Y133 PolarHBondContact OG-OH 3.45Å
123	E	98.4	Very high	96.5	Very high	65 Å²	65	60.9 Å²	60.9	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.5	173.1	-164.2	-149.3	155.8	0	0	111.2	D95 E97 L100 R132 Y133	D95-E123 WeakPolarHBondContact O-CA 3.3Å; E97-E123 HydrophobicContact CB-CG 4.34Å; L100-E123 HydrophobicContact CD1-CB 3.57Å; L100-E123 HydrophobicContact CD1-CG 3.86Å; E123-R132 IonicContact OE2-NH1 3.86Å; E123-R132 PolarHBondContact OE2-NH1 3.14Å; E123-Y133 PolarHBondContact O-OH 3.14Å
124	L	98.6	Very high	96.6	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.325	C	S	.	.			trans	-144.9	99.4	167.8	-179.1	52.7	0	0	0	110.5	I70 L72 T94 D95 S122 L130 Y133 T159 L163	I70-L124 HydrophobicContact CD1-CD2 4.23Å; L72-L124 HydrophobicContact CD2-CD2 3.52Å; T94-L124 HydrophobicContact CG2-CB 4.11Å; T94-L124 HydrophobicContact CG2-CD2 4.41Å; D95-L124 PolarHBondContact O-N 3.06Å; S122-L124 PolarHBondContact O-N 3Å; L124-L130 HydrophobicContact CD1-CD2 3.86Å; L124-Y133 HydrophobicContact CB-CE2 4.35Å; L124-Y133 HydrophobicContact CD1-CD2 4.28Å; L124-Y133 HydrophobicContact CD1-CE2 3.79Å; L124-Y133 HydrophobicContact CD2-CE2 4.39Å; L124-Y133 HydrophobicContact CG-CE2 4.4Å; L124-T159 HydrophobicContact CD1-CG2 4.48Å; L124-T159 HydrophobicContact CD2-CG2 3.97Å; L124-T159 HydrophobicContact CG-CG2 4.46Å; L124-L163 HydrophobicContact CD2-CD1 4.27Å
125	T	98.2	Very high	96.8	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.178	32%	0.32	C	S	.	.			trans	-81.6	122.2	161.5	-59.6	0	0	0	0	108.4	R96 G127 Q128	R96-T125 HydrophobicContact CG-CG2 4.45Å; T125-G127 PolarHBondContact O-N 2.83Å; T125-Q128 HydrophobicContact CG2-CG 4.18Å; T125-Q128 WeakPolarHBondContact O-CB 3.2Å; T125-Q128 PolarHBondContact O-N 3.43Å
126	W	98.6	Very high	97.1	Very high	36 Å²	36	55.9 Å²	55.9	14%	0.136	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.8	-174.8	-55	-32.6	0	0	0	112.2	Q128 I146 S155 L156 T159	W126-Q128 PolarHBondContact O-N 3.44Å; W126-I146 HydrophobicContact CH2-CB 3.75Å; W126-I146 HydrophobicContact CH2-CG2 4.33Å; W126-I146 HydrophobicContact CZ2-CB 3.88Å; W126-I146 HydrophobicContact CZ2-CD1 4.23Å; W126-I146 HydrophobicContact CZ2-CG2 4.12Å; W126-S155 WeakPolarHBondContact O-CB 3.41Å; W126-L156 HydrophobicContact CD2-CB 4.13Å; W126-L156 HydrophobicContact CD2-CD1 3.85Å; W126-L156 HydrophobicContact CD2-CG 4.49Å; W126-L156 HydrophobicContact CE3-CB 3.82Å; W126-L156 HydrophobicContact CE3-CD1 4.2Å; W126-L156 HydrophobicContact CE3-CG 4.38Å; W126-L156 HydrophobicContact CG-CD1 4.25Å; W126-L156 HydrophobicContact CH2-CD2 4.44Å; W126-L156 HydrophobicContact CZ2-CD1 4.16Å; W126-L156 HydrophobicContact CZ3-CB 4.34Å; W126-L156 HydrophobicContact CZ3-CD2 4.27Å; W126-T159 WeakPolarHBondContact CA-OG1 3.45Å; W126-T159 WeakPolarHBondContact CB-OG1 3.4Å
127	G	98.1	Very high	97.4	Very high	21 Å²	21	53.5 Å²	53.5	22%	0.216	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-0.5	-177.2	0	0	0	0	0	114.7	T125 S155 T159	T125-G127 PolarHBondContact O-N 2.83Å; G127-S155 PolarHBondContact N-O 3.13Å; G127-T159 PolarHBondContact N-OG1 3.35Å
128	Q	97.9	Very high	97.6	Very high	119 Å²	119	50 Å²	50	56%	0.556	28%	0.276	S	S	*	.	S	Bend	trans	-121.7	132.1	-174.1	-56.5	-177.3	18.6	0	0	112.4	T125 W126 L130	T125-Q128 HydrophobicContact CG2-CG 4.18Å; T125-Q128 WeakPolarHBondContact O-CB 3.2Å; T125-Q128 PolarHBondContact O-N 3.43Å; W126-Q128 PolarHBondContact O-N 3.44Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-L130 PolarHBondContact O-N 2.85Å
129	G	97.1	Very high	97.8	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	28%	0.284	C	S	.	.	S	Bend	trans	59.3	36.3	175.2	0	0	0	0	0	113.5	E131 R132	G129-E131 VanDerWaalsContact CA-OE1 3.29Å; G129-E131 WeakPolarHBondContact CA-OE1 3.42Å; G129-E131 VanDerWaalsContact CA-OE2 3.26Å; G129-E131 WeakPolarHBondContact CA-OE2 3.35Å; G129-E131 PolarHBondContact O-N 3.06Å; G129-R132 WeakPolarHBondContact O-CB 3.31Å; G129-R132 WeakPolarHBondContact O-CG 3.23Å; G129-R132 PolarHBondContact O-N 2.69Å; G129-R132 PolarHBondContact O-NE 3.48Å
130	L	97.8	Very high	97.9	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.058	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-66.8	-26.6	-175.6	-63.2	-176.1	0	0	0	112	L124 Q128 R132 Y133 Q158 T159 H162	L124-L130 HydrophobicContact CD1-CD2 3.86Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-L130 PolarHBondContact O-N 2.85Å; L130-R132 PolarHBondContact O-N 3.43Å; L130-R132 VanDerWaalsContact O-N 3.1Å; L130-Y133 PolarHBondContact O-N 2.86Å; L130-Y133 VanDerWaalsContact O-O 3.07Å; L130-Q158 HydrophobicContact CD1-CG 4.07Å; L130-T159 HydrophobicContact CD2-CG2 3.98Å; L130-H162 HydrophobicContact CD1-CB 3.93Å; L130-H162 PolarHBondContact O-NE2 3.13Å
131	E	96.9	Very high	97.9	Very high	152 Å²	152	46.1 Å²	46.1	71%	0.71	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-60.6	-17.2	175.6	71.4	-68.1	159	0	0	114	G129 Y133	G129-E131 VanDerWaalsContact CA-OE1 3.29Å; G129-E131 WeakPolarHBondContact CA-OE1 3.42Å; G129-E131 VanDerWaalsContact CA-OE2 3.26Å; G129-E131 WeakPolarHBondContact CA-OE2 3.35Å; G129-E131 PolarHBondContact O-N 3.06Å; E131-Y133 PolarHBondContact O-N 3.36Å
132	R	96.9	Very high	97.9	Very high	126 Å²	126	44 Å²	44	48%	0.475	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.1	-16.2	170.5	-61.1	-178	-68	177.7	-3	112.9	E123 G129 L130	E123-R132 IonicContact OE2-NH1 3.86Å; E123-R132 PolarHBondContact OE2-NH1 3.14Å; G129-R132 WeakPolarHBondContact O-CB 3.31Å; G129-R132 WeakPolarHBondContact O-CG 3.23Å; G129-R132 PolarHBondContact O-N 2.69Å; G129-R132 PolarHBondContact O-NE 3.48Å; L130-R132 PolarHBondContact O-N 3.43Å; L130-R132 VanDerWaalsContact O-N 3.1Å
133	Y	97.8	Very high	97.9	Very high	13 Å²	13	43.1 Å²	43.1	5%	0.051	24%	0.239	C	C	.	.	S	Bend	trans	-115.9	138.7	-178.1	-60.4	-88.2	0	0	0	110.2	I70 T92 S122 E123 L124 L130 E131 T135 F138 H162 L163	I70-Y133 HydrophobicContact CD1-CD1 4.08Å; I70-Y133 HydrophobicContact CD1-CE1 4.11Å; T92-Y133 HydrophobicContact CG2-CE1 4.12Å; S122-Y133 WeakPolarHBondContact CB-OH 3.36Å; S122-Y133 PolarHBondContact OG-OH 3.45Å; E123-Y133 PolarHBondContact O-OH 3.14Å; L124-Y133 HydrophobicContact CB-CE2 4.35Å; L124-Y133 HydrophobicContact CD1-CD2 4.28Å; L124-Y133 HydrophobicContact CD1-CE2 3.79Å; L124-Y133 HydrophobicContact CD2-CE2 4.39Å; L124-Y133 HydrophobicContact CG-CE2 4.4Å; L130-Y133 PolarHBondContact O-N 2.86Å; L130-Y133 VanDerWaalsContact O-O 3.07Å; E131-Y133 PolarHBondContact O-N 3.36Å; Y133-T135 PolarHBondContact O-N 3.42Å; Y133-F138 HydrophobicContact CD1-CZ 4.22Å; Y133-H162 PolarHBondContact O-NE2 3.35Å; Y133-L163 HydrophobicContact CG-CD2 4.2Å
134	P	96.8	Very high	97.9	Very high	78 Å²	78	40.7 Å²	40.7	51%	0.506	23%	0.23	S	C	.	.			trans	-63.5	126.5	178.9	26.4	-34	0	0	0	110.8	G136 G137 F138	P134-G136 PolarHBondContact O-N 3.41Å; P134-G137 PolarHBondContact O-N 2.94Å; P134-F138 HydrophobicContact CG-CE2 4.23Å
135	T	97.3	Very high	97.7	Very high	103 Å²	103	41.5 Å²	41.5	63%	0.632	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	124.2	174.1	-56.3	0	0	0	0	109.8	Y133 G137 H162	Y133-T135 PolarHBondContact O-N 3.42Å; T135-G137 PolarHBondContact O-N 2.86Å; T135-H162 CarbonylContact C-O 3.59Å; T135-H162 VanDerWaalsContact CA-O 3.29Å; T135-H162 WeakPolarHBondContact CA-O 3.46Å; T135-H162 PolarHBondContact OG1-CE1 3.35Å; T135-H162 PolarHBondContact OG1-ND1 2.96Å
136	G	97.1	Very high	97.6	Very high	20 Å²	20	40.4 Å²	40.4	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	20.5	-176.7	0	0	0	0	0	114.9	P134 F138 H162 L163	P134-G136 PolarHBondContact O-N 3.41Å; G136-F138 VanDerWaalsContact C-N 3.3Å; G136-F138 PolarHBondContact O-N 2.8Å; G136-H162 PolarHBondContact N-O 2.86Å; G136-L163 CarbonylContact C-O 3.56Å; G136-L163 WeakPolarHBondContact CA-O 3.44Å
137	G	96.9	Very high	97.4	Very high	34 Å²	34	38.9 Å²	38.9	35%	0.351	22%	0.222	S	C	.	.			trans	-84.5	7.3	-172.1	0	0	0	0	0	115.9	P134 T135	P134-G137 PolarHBondContact O-N 2.94Å; T135-G137 PolarHBondContact O-N 2.86Å
138	F	98.6	Very high	97.1	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.044	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.6	-177	-60.9	-85	0	0	0	110.8	V68 I70 Y133 P134 G136 V141 L163 S168	V68-F138 HydrophobicContact CG1-CD1 3.88Å; V68-F138 HydrophobicContact CG1-CE1 4.23Å; I70-F138 HydrophobicContact CB-CD1 3.52Å; I70-F138 HydrophobicContact CB-CD2 4.45Å; I70-F138 HydrophobicContact CB-CE1 3.57Å; I70-F138 HydrophobicContact CB-CG 3.99Å; I70-F138 HydrophobicContact CB-CZ 4.08Å; I70-F138 HydrophobicContact CD1-CE1 4.13Å; I70-F138 HydrophobicContact CD1-CE2 4.12Å; I70-F138 HydrophobicContact CD1-CZ 3.78Å; I70-F138 HydrophobicContact CG1-CE1 4.37Å; I70-F138 HydrophobicContact CG1-CZ 4.5Å; I70-F138 HydrophobicContact CG2-CB 3.91Å; I70-F138 HydrophobicContact CG2-CD1 3.54Å; I70-F138 HydrophobicContact CG2-CD2 3.83Å; I70-F138 HydrophobicContact CG2-CE1 4Å; I70-F138 HydrophobicContact CG2-CE2 4.27Å; I70-F138 HydrophobicContact CG2-CG 3.45Å; I70-F138 VanDerWaalsContact CG2-CG 3.45Å; I70-F138 HydrophobicContact CG2-CZ 4.33Å; Y133-F138 HydrophobicContact CD1-CZ 4.22Å; P134-F138 HydrophobicContact CG-CE2 4.23Å; G136-F138 VanDerWaalsContact C-N 3.3Å; G136-F138 PolarHBondContact O-N 2.8Å; F138-V141 HydrophobicContact CB-CG2 4.29Å; F138-L163 HydrophobicContact CD2-CB 4.05Å; F138-L163 HydrophobicContact CD2-CD2 3.84Å; F138-L163 HydrophobicContact CE2-CD2 3.48Å; F138-L163 VanDerWaalsContact CE2-CD2 3.48Å; F138-L163 HydrophobicContact CZ-CD2 4.46Å; F138-S168 VanDerWaalsContact O-CB 3.28Å; F138-S168 WeakPolarHBondContact O-CB 3.44Å; F138-S168 PolarHBondContact O-OG 3.37Å
139	D	98.6	Very high	96.9	Very high	56 Å²	56	38.6 Å²	38.6	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-39.2	172.2	-62.5	-67.3	0	0	0	110.7	K67 V68 S168 V169	K67-D139 WeakPolarHBondContact CA-OD2 3.43Å; K67-D139 HydrophobicContact CB-CB 4.04Å; K67-D139 HydrophobicContact CD-CB 3.86Å; K67-D139 HydrophobicContact CG-CB 4.34Å; V68-D139 PolarHBondContact N-OD2 3.31Å; V68-D139 PolarHBondContact O-N 3.32Å; D139-S168 WeakPolarHBondContact O-CA 3.35Å; D139-V169 PolarHBondContact O-N 3.05Å
140	I	98.7	Very high	96.7	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.4	-176.8	-50.7	-65	0	0	0	110.2	V62 L64 K67 V68 A69 I70 L142 V169 L171	V62-I140 HydrophobicContact CG1-CD1 3.94Å; L64-I140 HydrophobicContact CD2-CG1 4.33Å; K67-I140 HydrophobicContact CB-CG1 4.27Å; K67-I140 HydrophobicContact CG-CG1 4.46Å; V68-I140 PolarHBondContact O-N 3.1Å; A69-I140 CarbonylContact C-O 3.57Å; A69-I140 VanDerWaalsContact CA-O 3.26Å; A69-I140 WeakPolarHBondContact CA-O 3.26Å; A69-I140 HydrophobicContact CB-CB 4.13Å; I70-I140 PolarHBondContact N-O 2.79Å; I140-L142 HydrophobicContact CG2-CD2 3.58Å; I140-L142 HydrophobicContact CG2-CG 3.89Å; I140-V169 CarbonylContact C-O 3.51Å; I140-V169 VanDerWaalsContact CA-O 3.29Å; I140-V169 WeakPolarHBondContact CA-O 3.36Å; I140-V169 HydrophobicContact CD1-CB 3.95Å; I140-L171 HydrophobicContact CG2-CD1 4.5Å
141	V	98.8	Very high	96.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.1	169.3	-178.4	0	0	0	0	108.2	I70 L72 F138 L163 V169 V170 L171	I70-V141 HydrophobicContact CG2-CB 4.29Å; I70-V141 HydrophobicContact CG2-CG1 4.21Å; I70-V141 HydrophobicContact CG2-CG2 3.87Å; I70-V141 CarbonylContact O-C 3.45Å; I70-V141 WeakPolarHBondContact O-CA 3.33Å; L72-V141 HydrophobicContact CD1-CG1 3.86Å; L72-V141 HydrophobicContact CG-CG1 4.11Å; F138-V141 HydrophobicContact CB-CG2 4.29Å; V141-L163 HydrophobicContact CG2-CB 4.23Å; V141-V169 PolarHBondContact N-O 2.91Å; V141-V170 HydrophobicContact CB-CB 4.29Å; V141-V170 HydrophobicContact CB-CG1 3.94Å; V141-V170 HydrophobicContact CB-CG2 4.05Å; V141-V170 HydrophobicContact CG1-CG1 4.03Å; V141-V170 HydrophobicContact CG2-CG2 4.4Å; V141-V170 CarbonylContact O-C 3.58Å; V141-V170 VanDerWaalsContact O-CA 3.3Å; V141-V170 WeakPolarHBondContact O-CA 3.48Å; V141-L171 PolarHBondContact O-N 2.68Å
142	L	98.9	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142	-175.3	-58.3	170.6	0	0	0	110.2	I70 E71 L72 V79 A83 I140 L171	I70-L142 PolarHBondContact O-N 3.03Å; E71-L142 WeakPolarHBondContact CA-O 3.45Å; E71-L142 HydrophobicContact CB-CB 4.3Å; E71-L142 HydrophobicContact CG-CB 4.31Å; L72-L142 PolarHBondContact N-O 2.8Å; V79-L142 HydrophobicContact CG1-CB 4.44Å; V79-L142 HydrophobicContact CG1-CD1 4.05Å; A83-L142 HydrophobicContact CB-CD1 3.94Å; I140-L142 HydrophobicContact CG2-CD2 3.58Å; I140-L142 HydrophobicContact CG2-CG 3.89Å; L142-L171 HydrophobicContact CD2-CB 4.04Å; L142-L171 HydrophobicContact CD2-CD1 3.85Å; L142-L171 HydrophobicContact CD2-CG 4.45Å
143	G	98.5	Very high	96.6	Very high	1 Å²	1	38 Å²	38	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	134.9	169.6	0	0	0	0	0	111.2	M53 L171 L172 A173	M53-G143 WeakPolarHBondContact CE-O 3.34Å; G143-L171 PolarHBondContact N-O 2.93Å; G143-L172 CarbonylContact O-C 3.53Å; G143-L172 WeakPolarHBondContact O-CA 3.46Å; G143-A173 PolarHBondContact O-N 2.79Å
144	A	98	Very high	96.6	Very high	13 Å²	13	41.1 Å²	41.1	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.3	179.9	0	0	0	0	0	110.8	A49 A50 V79 I146 A173	A49-A144 HydrophobicContact CB-CB 4.39Å; A50-A144 HydrophobicContact CB-CB 4.06Å; V79-A144 HydrophobicContact CG2-CB 4Å; A144-I146 PolarHBondContact O-N 2.83Å; A144-A173 HydrophobicContact CB-CB 4.32Å
145	D	94.1	Very high	96.7	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	53.5	33.5	-175.5	-141.9	13.2	0	0	0	114.9	W47 A49 A173 R177	W47-D145 HydrophobicContact CB-CB 4.14Å; W47-D145 HydrophobicContact CG-CB 4.41Å; A49-D145 HydrophobicContact CB-CB 3.83Å; D145-A173 PolarHBondContact N-O 3Å; D145-R177 IonicContact OD1-CZ 2.85Å; D145-R177 IonicContact OD1-NH1 3.38Å; D145-R177 PolarHBondContact OD1-NH1 2.95Å; D145-R177 IonicContact OD1-NH2 2.73Å; D145-R177 PolarHBondContact OD1-NH2 2.89Å; D145-R177 IonicContact OD2-CZ 3.57Å; D145-R177 IonicContact OD2-NH1 2.8Å; D145-R177 IonicContact OD2-NH2 3.66Å; D145-R177 PolarHBondContact OD2-NH2 2.86Å
146	I	96.2	Very high	96.8	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	20%	0.199	C	C	.	.			trans	-90.9	-6.4	-179.3	62.2	171	0	0	0	114.1	L72 W126 A144 Y148 L156 L172	L72-I146 HydrophobicContact CB-CD1 4.02Å; L72-I146 WeakPolarHBondContact O-CG2 3.41Å; W126-I146 HydrophobicContact CH2-CB 3.75Å; W126-I146 HydrophobicContact CH2-CG2 4.33Å; W126-I146 HydrophobicContact CZ2-CB 3.88Å; W126-I146 HydrophobicContact CZ2-CD1 4.23Å; W126-I146 HydrophobicContact CZ2-CG2 4.12Å; A144-I146 PolarHBondContact O-N 2.83Å; I146-Y148 PolarHBondContact O-N 3.46Å; I146-L156 HydrophobicContact CD1-CD1 3.81Å; I146-L156 HydrophobicContact CD1-CD2 4.08Å; I146-L156 HydrophobicContact CG1-CD2 4.19Å; I146-L172 HydrophobicContact CD1-CD2 3.97Å; I146-L172 HydrophobicContact CG1-CD2 4.28Å
147	V	95.2	Very high	96.8	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	19%	0.192	C	C	.	.			trans	-95.5	87.5	178.7	-176.5	0	0	0	0	108.8	F153 L156 F184	V147-F153 HydrophobicContact CG1-CE1 3.73Å; V147-F153 HydrophobicContact CG1-CZ 3.77Å; V147-L156 HydrophobicContact CG2-CD2 4.39Å; V147-F184 HydrophobicContact CB-CD1 4.23Å; V147-F184 HydrophobicContact CG1-CB 3.56Å; V147-F184 HydrophobicContact CG1-CD1 3.64Å; V147-F184 HydrophobicContact CG1-CD2 4.48Å; V147-F184 HydrophobicContact CG1-CE1 4.5Å; V147-F184 HydrophobicContact CG1-CG 3.62Å; V147-F184 HydrophobicContact CG2-CD1 3.46Å; V147-F184 VanDerWaalsContact CG2-CD1 3.46Å; V147-F184 HydrophobicContact CG2-CE1 3.51Å; V147-F184 HydrophobicContact CG2-CG 4.13Å; V147-F184 HydrophobicContact CG2-CZ 4.22Å
148	Y	91.7	Very high	96.9	Very high	69 Å²	69	37.3 Å²	37.3	27%	0.271	20%	0.198	S	C	.	.			trans	-151.1	-22.9	179.4	72.6	-76.5	0	0	0	115.3	I146 R180	I146-Y148 PolarHBondContact O-N 3.46Å; Y148-R180 PolarHBondContact O-NE 3.14Å
149	L	92.7	Very high	96.9	Very high	66 Å²	66	36.8 Å²	36.8	35%	0.346	20%	0.196	S	C	.	.			trans	-104.6	102.5	175.8	-62.6	176.9	0	0	0	110.5	D151 T152 F153	L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 3.45Å; L149-T152 HydrophobicContact CB-CG2 3.9Å; L149-T152 HydrophobicContact CD1-CG2 4.34Å; L149-T152 WeakPolarHBondContact O-CB 3.48Å; L149-T152 PolarHBondContact O-N 3.44Å; L149-T152 PolarHBondContact O-OG1 2.84Å; L149-F153 VanDerWaalsContact O-CD1 3.31Å; L149-F153 WeakPolarHBondContact O-CD1 3.4Å; L149-F153 WeakPolarHBondContact O-CE1 3.4Å
150	E	92.8	Very high	96.9	Very high	103 Å²	103	34.1 Å²	34.1	48%	0.481	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-57.6	-39	-174.7	-171.3	164.7	-160.6	0	0	113.4	T152 F153	E150-T152 PolarHBondContact O-N 2.92Å; E150-F153 HydrophobicContact CB-CD2 4.27Å; E150-F153 HydrophobicContact CB-CE2 4Å; E150-F153 HydrophobicContact CB-CZ 4.36Å; E150-F153 HydrophobicContact CG-CD2 3.96Å; E150-F153 HydrophobicContact CG-CE2 3.92Å; E150-F153 WeakPolarHBondContact O-CB 3.44Å; E150-F153 WeakPolarHBondContact O-CG 3.48Å; E150-F153 PolarHBondContact O-N 2.73Å
151	D	95.8	Very high	96.9	Very high	160 Å²	160	36.2 Å²	36.2	86%	0.856	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-58.4	-20.4	176	-62.9	-23.4	0	0	0	113.6	L149	L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 3.45Å
152	T	96.4	Very high	96.9	Very high	33 Å²	33	37.9 Å²	37.9	20%	0.202	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-97.9	-8	-178.7	70.7	0	0	0	0	113.6	L149 E150 S155 L156	L149-T152 HydrophobicContact CB-CG2 3.9Å; L149-T152 HydrophobicContact CD1-CG2 4.34Å; L149-T152 WeakPolarHBondContact O-CB 3.48Å; L149-T152 PolarHBondContact O-N 3.44Å; L149-T152 PolarHBondContact O-OG1 2.84Å; E150-T152 PolarHBondContact O-N 2.92Å; T152-S155 PolarHBondContact O-N 3.33Å; T152-S155 VanDerWaalsContact O-N 3.14Å; T152-L156 PolarHBondContact O-N 3.19Å
153	F	97.8	Very high	96.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-44.9	-175.5	-70.4	-6.8	0	0	0	114	V147 L149 E150 S155 L156 L157 R180 F184 M187	V147-F153 HydrophobicContact CG1-CE1 3.73Å; V147-F153 HydrophobicContact CG1-CZ 3.77Å; L149-F153 VanDerWaalsContact O-CD1 3.31Å; L149-F153 WeakPolarHBondContact O-CD1 3.4Å; L149-F153 WeakPolarHBondContact O-CE1 3.4Å; E150-F153 HydrophobicContact CB-CD2 4.27Å; E150-F153 HydrophobicContact CB-CE2 4Å; E150-F153 HydrophobicContact CB-CZ 4.36Å; E150-F153 HydrophobicContact CG-CD2 3.96Å; E150-F153 HydrophobicContact CG-CE2 3.92Å; E150-F153 WeakPolarHBondContact O-CB 3.44Å; E150-F153 WeakPolarHBondContact O-CG 3.48Å; E150-F153 PolarHBondContact O-N 2.73Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 2.84Å; F153-L156 PolarHBondContact O-N 3.31Å; F153-L157 WeakPolarHBondContact O-CB 3.49Å; F153-L157 PolarHBondContact O-N 3.29Å; F153-R180 HydrophobicContact CE2-CB 4.13Å; F153-R180 HydrophobicContact CE2-CG 4.48Å; F153-R180 WeakPolarHBondContact CE2-O 3.28Å; F153-R180 HydrophobicContact CZ-CB 4.48Å; F153-R180 HydrophobicContact CZ-CG 4.34Å; F153-F184 HydrophobicContact CB-CD2 3.78Å; F153-F184 HydrophobicContact CB-CE2 4.38Å; F153-F184 HydrophobicContact CD1-CB 4.43Å; F153-F184 AromaticContact CD1-CD2 3.76Å; F153-F184 HydrophobicContact CD1-CD2 3.76Å; F153-F184 HydrophobicContact CD1-CE2 4.45Å; F153-F184 HydrophobicContact CD1-CG 4.35Å; F153-F184 HydrophobicContact CD2-CB 3.86Å; F153-F184 HydrophobicContact CD2-CD2 4.13Å; F153-F184 HydrophobicContact CD2-CG 4.47Å; F153-F184 HydrophobicContact CE1-CB 4.37Å; F153-F184 HydrophobicContact CE1-CD2 4.37Å; F153-F184 HydrophobicContact CE2-CB 3.81Å; F153-F184 HydrophobicContact CG-CB 4.19Å; F153-F184 AromaticContact CG-CD2 3.61Å; F153-F184 HydrophobicContact CG-CD2 3.61Å; F153-F184 HydrophobicContact CG-CE2 4.5Å; F153-F184 HydrophobicContact CG-CG 4.31Å; F153-F184 HydrophobicContact CZ-CB 4.06Å; F153-M187 HydrophobicContact CB-CE 4.15Å; F153-M187 HydrophobicContact CB-SD 4.14Å
154	P	98.3	Very high	96.8	Very high	77 Å²	77	37.9 Å²	37.9	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-42.4	175.6	-23.7	35.3	0	0	0	112.2	L157 Q158 M187	P154-L157 PolarHBondContact O-N 2.86Å; P154-Q158 WeakPolarHBondContact O-CB 3.43Å; P154-Q158 PolarHBondContact O-N 2.93Å; P154-M187 HydrophobicContact CG-CE 4.25Å
155	S	98.6	Very high	96.8	Very high	41 Å²	41	38.8 Å²	38.8	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-38.8	179.8	-56.7	0	0	0	0	112.5	W126 G127 T152 F153 T159	W126-S155 WeakPolarHBondContact O-CB 3.41Å; G127-S155 PolarHBondContact N-O 3.13Å; T152-S155 PolarHBondContact O-N 3.33Å; T152-S155 VanDerWaalsContact O-N 3.14Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 2.84Å; S155-T159 WeakPolarHBondContact O-CB 3.38Å; S155-T159 PolarHBondContact O-N 2.83Å; S155-T159 PolarHBondContact O-OG1 3.43Å
156	L	98.6	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-47.4	174.9	175.7	56.8	0	0	0	110.5	L72 W126 I146 V147 T152 F153 Q158 T159 M160 F184	L72-L156 HydrophobicContact CD1-CD1 3.97Å; W126-L156 HydrophobicContact CD2-CB 4.13Å; W126-L156 HydrophobicContact CD2-CD1 3.85Å; W126-L156 HydrophobicContact CD2-CG 4.49Å; W126-L156 HydrophobicContact CE3-CB 3.82Å; W126-L156 HydrophobicContact CE3-CD1 4.2Å; W126-L156 HydrophobicContact CE3-CG 4.38Å; W126-L156 HydrophobicContact CG-CD1 4.25Å; W126-L156 HydrophobicContact CH2-CD2 4.44Å; W126-L156 HydrophobicContact CZ2-CD1 4.16Å; W126-L156 HydrophobicContact CZ3-CB 4.34Å; W126-L156 HydrophobicContact CZ3-CD2 4.27Å; I146-L156 HydrophobicContact CD1-CD1 3.81Å; I146-L156 HydrophobicContact CD1-CD2 4.08Å; I146-L156 HydrophobicContact CG1-CD2 4.19Å; V147-L156 HydrophobicContact CG2-CD2 4.39Å; T152-L156 PolarHBondContact O-N 3.19Å; F153-L156 PolarHBondContact O-N 3.31Å; L156-Q158 PolarHBondContact O-N 3.11Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 PolarHBondContact O-N 2.84Å; L156-T159 VanDerWaalsContact O-N 3.15Å; L156-M160 HydrophobicContact CD1-CG 4.24Å; L156-M160 HydrophobicContact CD1-SD 4.16Å; L156-M160 HydrophobicContact CG-SD 4.05Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.77Å; L156-F184 HydrophobicContact CB-CE2 4.29Å; L156-F184 HydrophobicContact CD2-CE1 4.45Å; L156-F184 HydrophobicContact CD2-CE2 3.77Å; L156-F184 HydrophobicContact CD2-CZ 3.62Å; L156-F184 HydrophobicContact CG-CE2 4.03Å; L156-F184 HydrophobicContact CG-CZ 3.93Å
157	L	98.4	Very high	96.9	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-47.6	177.4	-177	60.6	0	0	0	111.6	F153 P154 T159 M160 E161 M187 L188 R191 F192	F153-L157 WeakPolarHBondContact O-CB 3.49Å; F153-L157 PolarHBondContact O-N 3.29Å; P154-L157 PolarHBondContact O-N 2.86Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.88Å; L157-M160 PolarHBondContact O-N 3.27Å; L157-E161 WeakPolarHBondContact O-CG 3.49Å; L157-E161 PolarHBondContact O-N 3.11Å; L157-M187 HydrophobicContact CD2-CB 4.11Å; L157-M187 HydrophobicContact CD2-CE 4.35Å; L157-L188 HydrophobicContact CD1-CD1 3.7Å; L157-R191 HydrophobicContact CD1-CB 4.31Å; L157-R191 HydrophobicContact CD1-CG 4.29Å; L157-R191 HydrophobicContact CD2-CG 4.06Å; L157-R191 HydrophobicContact CG-CG 4.37Å; L157-F192 HydrophobicContact CD1-CD2 4.25Å; L157-F192 HydrophobicContact CD1-CE2 3.93Å
158	Q	98.4	Very high	97	Very high	101 Å²	101	47.7 Å²	47.7	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-57	-40.5	175.6	-177.2	-172.6	-0.9	0	0	111.9	L130 P154 L156 E161 H162	L130-Q158 HydrophobicContact CD1-CG 4.07Å; P154-Q158 WeakPolarHBondContact O-CB 3.43Å; P154-Q158 PolarHBondContact O-N 2.93Å; L156-Q158 PolarHBondContact O-N 3.11Å; Q158-E161 PolarHBondContact O-N 2.95Å; Q158-H162 WeakPolarHBondContact O-CB 3.25Å; Q158-H162 PolarHBondContact O-N 3.28Å
159	T	98.8	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-47.7	177.9	-57	0	0	0	0	110.9	L72 L124 W126 G127 L130 S155 L156 L157 E161 H162 L163	L72-T159 HydrophobicContact CD1-CG2 4.33Å; L72-T159 HydrophobicContact CD2-CG2 4.04Å; L124-T159 HydrophobicContact CD1-CG2 4.48Å; L124-T159 HydrophobicContact CD2-CG2 3.97Å; L124-T159 HydrophobicContact CG-CG2 4.46Å; W126-T159 WeakPolarHBondContact CA-OG1 3.45Å; W126-T159 WeakPolarHBondContact CB-OG1 3.4Å; G127-T159 PolarHBondContact N-OG1 3.35Å; L130-T159 HydrophobicContact CD2-CG2 3.98Å; S155-T159 WeakPolarHBondContact O-CB 3.38Å; S155-T159 PolarHBondContact O-N 2.83Å; S155-T159 PolarHBondContact O-OG1 3.43Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 PolarHBondContact O-N 2.84Å; L156-T159 VanDerWaalsContact O-N 3.15Å; L157-T159 VanDerWaalsContact C-N 3.25Å; L157-T159 PolarHBondContact O-N 2.88Å; T159-E161 VanDerWaalsContact C-N 3.33Å; T159-E161 PolarHBondContact O-N 3.48Å; T159-H162 PolarHBondContact O-N 2.91Å; T159-L163 HydrophobicContact CG2-CD1 3.67Å; T159-L163 HydrophobicContact CG2-CG 4.39Å; T159-L163 WeakPolarHBondContact O-CG 3.36Å; T159-L163 PolarHBondContact O-N 3.05Å
160	M	98.6	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-42.8	176.4	-66.1	166.4	73.1	0	0	111.5	L72 L156 L157 L163 S164 V170 L172 F184 L188 F192	L72-M160 HydrophobicContact CD1-CG 3.93Å; L156-M160 HydrophobicContact CD1-CG 4.24Å; L156-M160 HydrophobicContact CD1-SD 4.16Å; L156-M160 HydrophobicContact CG-SD 4.05Å; L156-M160 WeakPolarHBondContact O-CG 3.43Å; L156-M160 PolarHBondContact O-N 2.77Å; L157-M160 PolarHBondContact O-N 3.27Å; M160-L163 PolarHBondContact O-N 3.1Å; M160-S164 WeakPolarHBondContact O-CB 3.3Å; M160-S164 PolarHBondContact O-N 2.98Å; M160-S164 VanDerWaalsContact O-N 3.1Å; M160-S164 PolarHBondContact O-OG 2.9Å; M160-V170 HydrophobicContact CE-CB 4.34Å; M160-V170 HydrophobicContact CE-CG1 3.43Å; M160-V170 VanDerWaalsContact CE-CG1 3.43Å; M160-L172 HydrophobicContact CE-CD1 3.61Å; M160-L172 HydrophobicContact CE-CD2 4.25Å; M160-L172 HydrophobicContact CE-CG 4.08Å; M160-L172 HydrophobicContact SD-CD1 4.43Å; M160-F184 HydrophobicContact SD-CZ 3.96Å; M160-L188 HydrophobicContact CE-CD1 3.51Å; M160-L188 HydrophobicContact CE-CD2 4.3Å; M160-L188 HydrophobicContact SD-CD1 4.22Å; M160-F192 HydrophobicContact CB-CE2 4.44Å; M160-F192 HydrophobicContact CB-CZ 4.07Å
161	E	98.1	Very high	97.9	Very high	50 Å²	50	37.6 Å²	37.6	23%	0.234	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-42.8	176.9	-73.7	-174.9	86.5	0	0	112.4	L157 Q158 T159 R191 F192 K212	L157-E161 WeakPolarHBondContact O-CG 3.49Å; L157-E161 PolarHBondContact O-N 3.11Å; Q158-E161 PolarHBondContact O-N 2.95Å; T159-E161 VanDerWaalsContact C-N 3.33Å; T159-E161 PolarHBondContact O-N 3.48Å; E161-R191 HydrophobicContact CG-CB 4.16Å; E161-R191 HydrophobicContact CG-CG 4.39Å; E161-R191 VanDerWaalsContact OE1-CD 3.3Å; E161-R191 WeakPolarHBondContact OE1-CD 3.49Å; E161-R191 IonicContact OE1-NE 3.85Å; E161-R191 IonicContact OE2-NE 3.64Å; E161-F192 HydrophobicContact CG-CE2 3.62Å; E161-F192 HydrophobicContact CG-CZ 3.94Å; E161-K212 PolarHBondContact O-NZ 3Å
162	H	98.5	Very high	98	Very high	36 Å²	36	30.1 Å²	30.1	17%	0.167	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-44.4	178.6	178.1	87.1	0	0	0	112	L130 Y133 T135 G136 Q158 T159 S164	L130-H162 HydrophobicContact CD1-CB 3.93Å; L130-H162 PolarHBondContact O-NE2 3.13Å; Y133-H162 PolarHBondContact O-NE2 3.35Å; T135-H162 CarbonylContact C-O 3.59Å; T135-H162 VanDerWaalsContact CA-O 3.29Å; T135-H162 WeakPolarHBondContact CA-O 3.46Å; T135-H162 PolarHBondContact OG1-CE1 3.35Å; T135-H162 PolarHBondContact OG1-ND1 2.96Å; G136-H162 PolarHBondContact N-O 2.86Å; Q158-H162 WeakPolarHBondContact O-CB 3.25Å; Q158-H162 PolarHBondContact O-N 3.28Å; T159-H162 PolarHBondContact O-N 2.91Å; H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 3.43Å
163	L	98.6	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.2	-19.5	-176	-62.4	170.1	0	0	0	113	I70 L72 L124 Y133 G136 F138 V141 T159 M160	I70-L163 HydrophobicContact CD1-CD1 4.02Å; I70-L163 HydrophobicContact CD1-CD2 4.14Å; I70-L163 HydrophobicContact CG2-CD1 4.22Å; L72-L163 HydrophobicContact CD2-CD1 3.72Å; L124-L163 HydrophobicContact CD2-CD1 4.27Å; Y133-L163 HydrophobicContact CG-CD2 4.2Å; G136-L163 CarbonylContact C-O 3.56Å; G136-L163 WeakPolarHBondContact CA-O 3.44Å; F138-L163 HydrophobicContact CD2-CB 4.05Å; F138-L163 HydrophobicContact CD2-CD2 3.84Å; F138-L163 HydrophobicContact CE2-CD2 3.48Å; F138-L163 VanDerWaalsContact CE2-CD2 3.48Å; F138-L163 HydrophobicContact CZ-CD2 4.46Å; V141-L163 HydrophobicContact CG2-CB 4.23Å; T159-L163 HydrophobicContact CG2-CD1 3.67Å; T159-L163 HydrophobicContact CG2-CG 4.39Å; T159-L163 WeakPolarHBondContact O-CG 3.36Å; T159-L163 PolarHBondContact O-N 3.05Å; M160-L163 PolarHBondContact O-N 3.1Å
164	S	98.4	Very high	97.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.5	-174.5	-55.3	0	0	0	0	113.2	M160 H162 V170 K212	M160-S164 WeakPolarHBondContact O-CB 3.3Å; M160-S164 PolarHBondContact O-N 2.98Å; M160-S164 VanDerWaalsContact O-N 3.1Å; M160-S164 PolarHBondContact O-OG 2.9Å; H162-S164 VanDerWaalsContact C-N 3.29Å; H162-S164 PolarHBondContact O-N 3.43Å; S164-V170 WeakPolarHBondContact OG-CG2 3.26Å; S164-K212 VanDerWaalsContact O-CD 3.24Å; S164-K212 WeakPolarHBondContact O-CD 3.49Å; S164-K212 PolarHBondContact O-NZ 3.16Å
165	S	97.1	Very high	97.6	Very high	33 Å²	33	27.7 Å²	27.7	23%	0.231	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	175.2	159.3	73.3	0	0	0	0	110.4	S167 S168	S165-S167 PolarHBondContact O-N 3.15Å; S165-S167 PolarHBondContact OG-N 2.94Å; S165-S167 PolarHBondContact OG-OG 3.49Å; S165-S168 PolarHBondContact N-OG 2.97Å; S165-S168 WeakPolarHBondContact O-CB 3.36Å; S165-S168 PolarHBondContact O-N 3.35Å; S165-S168 PolarHBondContact OG-N 3.2Å; S165-S168 VanDerWaalsContact OG-N 3.12Å; S165-S168 PolarHBondContact OG-OG 3.32Å
166	E	95.9	Very high	97.2	Very high	117 Å²	117	27.9 Å²	27.9	55%	0.547	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-20.7	172.2	-62.7	-179.2	177.7	0	0	112.8	V211 P214	E166-V211 VanDerWaalsContact O-CG1 3.31Å; E166-V211 WeakPolarHBondContact O-CG1 3.45Å; E166-P214 WeakPolarHBondContact OE1-CA 3.43Å
167	S	96.1	Very high	96.6	Very high	97 Å²	97	31.4 Å²	31.4	68%	0.678	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	-7.9	175.6	52.1	0	0	0	0	114.1	S165	S165-S167 PolarHBondContact O-N 3.15Å; S165-S167 PolarHBondContact OG-N 2.94Å; S165-S167 PolarHBondContact OG-OG 3.49Å
168	S	97.9	Very high	96.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142	-179.2	-58.6	0	0	0	0	110.6	F138 D139 S165	F138-S168 VanDerWaalsContact O-CB 3.28Å; F138-S168 WeakPolarHBondContact O-CB 3.44Å; F138-S168 PolarHBondContact O-OG 3.37Å; D139-S168 WeakPolarHBondContact O-CA 3.35Å; S165-S168 PolarHBondContact N-OG 2.97Å; S165-S168 WeakPolarHBondContact O-CB 3.36Å; S165-S168 PolarHBondContact O-N 3.35Å; S165-S168 PolarHBondContact OG-N 3.2Å; S165-S168 VanDerWaalsContact OG-N 3.12Å; S165-S168 PolarHBondContact OG-OG 3.32Å
169	V	98.1	Very high	95.8	Very high	26 Å²	26	37 Å²	37	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.5	173	175.8	0	0	0	0	109	D139 I140 V141 L171 K209	D139-V169 PolarHBondContact O-N 3.05Å; I140-V169 CarbonylContact C-O 3.51Å; I140-V169 VanDerWaalsContact CA-O 3.29Å; I140-V169 WeakPolarHBondContact CA-O 3.36Å; I140-V169 HydrophobicContact CD1-CB 3.95Å; V141-V169 PolarHBondContact N-O 2.91Å; V169-L171 HydrophobicContact CG1-CD2 4.21Å; V169-L171 HydrophobicContact CG1-CG 4.2Å; V169-K209 HydrophobicContact CG1-CD 4.21Å; V169-K209 HydrophobicContact CG1-CG 3.8Å
170	V	98.7	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.5	170.9	-168.1	0	0	0	0	109.3	V141 M160 S164 L172 F192 K209 A210	V141-V170 HydrophobicContact CB-CB 4.29Å; V141-V170 HydrophobicContact CB-CG1 3.94Å; V141-V170 HydrophobicContact CB-CG2 4.05Å; V141-V170 HydrophobicContact CG1-CG1 4.03Å; V141-V170 HydrophobicContact CG2-CG2 4.4Å; V141-V170 CarbonylContact O-C 3.58Å; V141-V170 VanDerWaalsContact O-CA 3.3Å; V141-V170 WeakPolarHBondContact O-CA 3.48Å; M160-V170 HydrophobicContact CE-CB 4.34Å; M160-V170 HydrophobicContact CE-CG1 3.43Å; M160-V170 VanDerWaalsContact CE-CG1 3.43Å; S164-V170 WeakPolarHBondContact OG-CG2 3.26Å; V170-L172 HydrophobicContact CG1-CG 4.35Å; V170-F192 HydrophobicContact CG2-CD1 4.34Å; V170-F192 HydrophobicContact CG2-CE1 3.89Å; V170-K209 CarbonylContact O-C 3.59Å; V170-K209 WeakPolarHBondContact O-CA 3.48Å; V170-A210 HydrophobicContact CB-CB 4.16Å; V170-A210 PolarHBondContact N-O 3.41Å; V170-A210 PolarHBondContact O-N 3.36Å
171	L	98.8	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.4	174.1	-62.1	166.8	0	0	0	109.1	M53 Y56 L57 V62 I140 V141 L142 G143 V169 I207 Y208 K209	M53-L171 HydrophobicContact CE-CB 3.73Å; M53-L171 WeakPolarHBondContact CE-O 3.43Å; M53-L171 HydrophobicContact SD-CB 4.05Å; Y56-L171 HydrophobicContact CE1-CD2 4.35Å; L57-L171 HydrophobicContact CD2-CD1 4.02Å; V62-L171 HydrophobicContact CB-CD1 4.41Å; V62-L171 HydrophobicContact CG1-CD1 4.2Å; V62-L171 HydrophobicContact CG2-CD1 3.72Å; V62-L171 HydrophobicContact CG2-CD2 4.41Å; I140-L171 HydrophobicContact CG2-CD1 4.5Å; V141-L171 PolarHBondContact O-N 2.68Å; L142-L171 HydrophobicContact CD2-CB 4.04Å; L142-L171 HydrophobicContact CD2-CD1 3.85Å; L142-L171 HydrophobicContact CD2-CG 4.45Å; G143-L171 PolarHBondContact N-O 2.93Å; V169-L171 HydrophobicContact CG1-CD2 4.21Å; V169-L171 HydrophobicContact CG1-CG 4.2Å; L171-I207 HydrophobicContact CD2-CG2 4.41Å; L171-Y208 WeakPolarHBondContact CA-O 3.45Å; L171-K209 HydrophobicContact CD2-CB 4.14Å; L171-K209 HydrophobicContact CD2-CG 4.31Å
172	L	98.5	Very high	94.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.6	176	-68.5	179.4	0	0	0	109.8	G143 I146 M160 V170 F184 L188 I207 Y208	G143-L172 CarbonylContact O-C 3.53Å; G143-L172 WeakPolarHBondContact O-CA 3.46Å; I146-L172 HydrophobicContact CD1-CD2 3.97Å; I146-L172 HydrophobicContact CG1-CD2 4.28Å; M160-L172 HydrophobicContact CE-CD1 3.61Å; M160-L172 HydrophobicContact CE-CD2 4.25Å; M160-L172 HydrophobicContact CE-CG 4.08Å; M160-L172 HydrophobicContact SD-CD1 4.43Å; V170-L172 HydrophobicContact CG1-CG 4.35Å; L172-F184 HydrophobicContact CD1-CE1 3.82Å; L172-L188 HydrophobicContact CD1-CD2 3.81Å; L172-I207 CarbonylContact O-C 3.22Å; L172-I207 WeakPolarHBondContact O-CA 3.45Å; L172-Y208 PolarHBondContact N-O 3.2Å; L172-Y208 PolarHBondContact O-N 3.3Å
173	A	98.1	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119	167.2	0	0	0	0	0	109	A49 M53 G143 A144 D145 I205 H206 I207	A49-A173 HydrophobicContact CB-CB 3.97Å; A49-A173 WeakPolarHBondContact O-CB 3.25Å; M53-A173 HydrophobicContact CB-CB 4.05Å; M53-A173 HydrophobicContact CE-CB 3.64Å; M53-A173 VanDerWaalsContact CE-N 3.32Å; G143-A173 PolarHBondContact O-N 2.79Å; A144-A173 HydrophobicContact CB-CB 4.32Å; D145-A173 PolarHBondContact N-O 3Å; A173-I205 HydrophobicContact CB-CG2 4.22Å; A173-H206 CarbonylContact C-O 3.46Å; A173-H206 VanDerWaalsContact CA-O 3.3Å; A173-H206 WeakPolarHBondContact CA-O 3.38Å; A173-I207 HydrophobicContact CB-CG1 4.18Å
174	C	93.1	Very high	94.6	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.1	-174.8	-61.7	0	0	0	0	110.9	I176 H206 Y208	C174-I176 HydrophobicContact CB-CD1 4.35Å; C174-H206 PolarHBondContact N-O 2.93Å; C174-H206 PolarHBondContact O-N 3.15Å; C174-Y208 HydrophobicContact CB-CE2 4.41Å
175	K	92.9	Very high	94.6	Very high	58 Å²	58	41.9 Å²	41.9	25%	0.252	21%	0.211	S	C	.	.			trans	-97.5	118.9	160.5	-174.5	156.3	-171.9	148.4	0	108.7	R177 R203 D204 I205	K175-R177 HydrophobicContact CB-CG 4.42Å; K175-R177 HydrophobicContact CG-CG 3.9Å; K175-R177 PolarHBondContact O-N 3.03Å; K175-R177 PolarHBondContact O-NH1 2.85Å; K175-R203 PolarHBondContact NZ-O 3.2Å; K175-D204 WeakPolarHBondContact CG-O 2.99Å; K175-I205 HydrophobicContact CB-CD1 3.68Å; K175-I205 HydrophobicContact CD-CD1 4.18Å; K175-I205 HydrophobicContact CG-CD1 4.32Å
176	I	90.4	Very high	94.6	Very high	45 Å²	45	43.5 Å²	43.5	23%	0.231	22%	0.222	C	C	.	.			trans	-82	109	178.6	-54.5	-58.4	0	0	0	108.2	C174 D181 T182 L185 Y208	C174-I176 HydrophobicContact CB-CD1 4.35Å; I176-D181 HydrophobicContact CD1-CB 4Å; I176-D181 HydrophobicContact CG2-CB 4.33Å; I176-T182 HydrophobicContact CG2-CG2 3.89Å; I176-L185 HydrophobicContact CD1-CD1 3.91Å; I176-Y208 HydrophobicContact CD1-CE2 4.44Å
177	R	85.6	Confident	94.6	Very high	75 Å²	75	40.3 Å²	40.3	28%	0.283	21%	0.208	S	C	.	.			trans	-110	-37.7	-174.8	-60.4	177.1	-178.1	94.8	-10.7	111.7	D145 K175 D181	D145-R177 IonicContact OD1-CZ 2.85Å; D145-R177 IonicContact OD1-NH1 3.38Å; D145-R177 PolarHBondContact OD1-NH1 2.95Å; D145-R177 IonicContact OD1-NH2 2.73Å; D145-R177 PolarHBondContact OD1-NH2 2.89Å; D145-R177 IonicContact OD2-CZ 3.57Å; D145-R177 IonicContact OD2-NH1 2.8Å; D145-R177 IonicContact OD2-NH2 3.66Å; D145-R177 PolarHBondContact OD2-NH2 2.86Å; K175-R177 HydrophobicContact CB-CG 4.42Å; K175-R177 HydrophobicContact CG-CG 3.9Å; K175-R177 PolarHBondContact O-N 3.03Å; K175-R177 PolarHBondContact O-NH1 2.85Å; R177-D181 WeakPolarHBondContact CA-OD2 3.5Å; R177-D181 PolarHBondContact N-OD2 3.07Å
178	Y	89.7	Confident	94.7	Very high	81 Å²	81	35.7 Å²	35.7	32%	0.318	18%	0.176	S	C	.	.	S	Bend	trans	-141.9	166.8	-173.5	-52.7	-74.9	0	0	0	112	R180 D181	Y178-R180 VanDerWaalsContact CD2-NH2 3.27Å; Y178-R180 PolarHBondContact O-N 2.85Å; Y178-R180 VanDerWaalsContact O-N 3.15Å; Y178-D181 PolarHBondContact N-OD2 2.9Å; Y178-D181 WeakPolarHBondContact O-CB 3.37Å; Y178-D181 PolarHBondContact O-N 3.2Å
179	E	90.6	Very high	94.7	Very high	150 Å²	150	39.6 Å²	39.6	70%	0.701	20%	0.196	S	C	*	.	H	α-helix	trans	-53.7	-34.9	177.8	-174	179.6	-177.4	0	0	113	D181 T182 N183	E179-D181 PolarHBondContact O-N 2.9Å; E179-T182 WeakPolarHBondContact CA-OG1 3.31Å; E179-T182 CarbonylContact O-C 3.56Å; E179-T182 PolarHBondContact O-N 2.86Å; E179-T182 VanDerWaalsContact O-N 3.12Å; E179-T182 PolarHBondContact O-OG1 2.85Å; E179-N183 VanDerWaalsContact O-CG 3.24Å; E179-N183 PolarHBondContact O-N 3.06Å; E179-N183 PolarHBondContact O-OD1 3.32Å
180	R	90.5	Very high	94.6	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-33.9	176.1	76.3	-169.9	174.7	-148.4	1.8	112.8	L3 Y148 F153 Y178 N183 F184	L3-R180 VanDerWaalsContact CD1-NH1 3.26Å; Y148-R180 PolarHBondContact O-NE 3.14Å; F153-R180 HydrophobicContact CE2-CB 4.13Å; F153-R180 HydrophobicContact CE2-CG 4.48Å; F153-R180 WeakPolarHBondContact CE2-O 3.28Å; F153-R180 HydrophobicContact CZ-CB 4.48Å; F153-R180 HydrophobicContact CZ-CG 4.34Å; Y178-R180 VanDerWaalsContact CD2-NH2 3.27Å; Y178-R180 PolarHBondContact O-N 2.85Å; Y178-R180 VanDerWaalsContact O-N 3.15Å; R180-N183 WeakPolarHBondContact O-CB 3.43Å; R180-N183 PolarHBondContact O-N 2.98Å; R180-F184 PolarHBondContact O-N 3.38Å
181	D	90.7	Very high	94.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-39.7	-178.1	-49	-33.4	0	0	0	109.4	I176 R177 Y178 E179 N183 F184 L185	I176-D181 HydrophobicContact CD1-CB 4Å; I176-D181 HydrophobicContact CG2-CB 4.33Å; R177-D181 WeakPolarHBondContact CA-OD2 3.5Å; R177-D181 PolarHBondContact N-OD2 3.07Å; Y178-D181 PolarHBondContact N-OD2 2.9Å; Y178-D181 WeakPolarHBondContact O-CB 3.37Å; Y178-D181 PolarHBondContact O-N 3.2Å; E179-D181 PolarHBondContact O-N 2.9Å; D181-N183 VanDerWaalsContact C-N 3.35Å; D181-F184 PolarHBondContact O-N 3.18Å; D181-L185 PolarHBondContact O-N 2.89Å
182	T	93.6	Very high	94.5	Very high	59 Å²	59	50.6 Å²	50.6	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-69.1	-30.5	171.3	51.5	0	0	0	0	113.1	I176 E179 L185 S186	I176-T182 HydrophobicContact CG2-CG2 3.89Å; E179-T182 WeakPolarHBondContact CA-OG1 3.31Å; E179-T182 CarbonylContact O-C 3.56Å; E179-T182 PolarHBondContact O-N 2.86Å; E179-T182 VanDerWaalsContact O-N 3.12Å; E179-T182 PolarHBondContact O-OG1 2.85Å; T182-L185 PolarHBondContact O-N 2.8Å; T182-S186 PolarHBondContact O-N 3.44Å; T182-S186 PolarHBondContact O-OG 3.12Å
183	N	95.3	Very high	94.5	Very high	58 Å²	58	53.4 Å²	53.4	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-42	173.3	-68.4	-17.3	0	0	0	110.9	E179 R180 D181 L185 S186 M187	E179-N183 VanDerWaalsContact O-CG 3.24Å; E179-N183 PolarHBondContact O-N 3.06Å; E179-N183 PolarHBondContact O-OD1 3.32Å; R180-N183 WeakPolarHBondContact O-CB 3.43Å; R180-N183 PolarHBondContact O-N 2.98Å; D181-N183 VanDerWaalsContact C-N 3.35Å; N183-L185 PolarHBondContact O-N 3.35Å; N183-S186 WeakPolarHBondContact O-CB 3.36Å; N183-S186 PolarHBondContact O-N 3.12Å; N183-S186 VanDerWaalsContact O-N 3.15Å; N183-M187 WeakPolarHBondContact O-CG 3.48Å; N183-M187 PolarHBondContact O-N 2.85Å
184	F	97.3	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-44.8	173.5	-179.9	-98	0	0	0	112.1	V147 F153 L156 M160 L172 R180 D181 S186 M187 L188	V147-F184 HydrophobicContact CB-CD1 4.23Å; V147-F184 HydrophobicContact CG1-CB 3.56Å; V147-F184 HydrophobicContact CG1-CD1 3.64Å; V147-F184 HydrophobicContact CG1-CD2 4.48Å; V147-F184 HydrophobicContact CG1-CE1 4.5Å; V147-F184 HydrophobicContact CG1-CG 3.62Å; V147-F184 HydrophobicContact CG2-CD1 3.46Å; V147-F184 VanDerWaalsContact CG2-CD1 3.46Å; V147-F184 HydrophobicContact CG2-CE1 3.51Å; V147-F184 HydrophobicContact CG2-CG 4.13Å; V147-F184 HydrophobicContact CG2-CZ 4.22Å; F153-F184 HydrophobicContact CB-CD2 3.78Å; F153-F184 HydrophobicContact CB-CE2 4.38Å; F153-F184 HydrophobicContact CD1-CB 4.43Å; F153-F184 AromaticContact CD1-CD2 3.76Å; F153-F184 HydrophobicContact CD1-CD2 3.76Å; F153-F184 HydrophobicContact CD1-CE2 4.45Å; F153-F184 HydrophobicContact CD1-CG 4.35Å; F153-F184 HydrophobicContact CD2-CB 3.86Å; F153-F184 HydrophobicContact CD2-CD2 4.13Å; F153-F184 HydrophobicContact CD2-CG 4.47Å; F153-F184 HydrophobicContact CE1-CB 4.37Å; F153-F184 HydrophobicContact CE1-CD2 4.37Å; F153-F184 HydrophobicContact CE2-CB 3.81Å; F153-F184 HydrophobicContact CG-CB 4.19Å; F153-F184 AromaticContact CG-CD2 3.61Å; F153-F184 HydrophobicContact CG-CD2 3.61Å; F153-F184 HydrophobicContact CG-CE2 4.5Å; F153-F184 HydrophobicContact CG-CG 4.31Å; F153-F184 HydrophobicContact CZ-CB 4.06Å; L156-F184 HydrophobicContact CB-CE2 4.29Å; L156-F184 HydrophobicContact CD2-CE1 4.45Å; L156-F184 HydrophobicContact CD2-CE2 3.77Å; L156-F184 HydrophobicContact CD2-CZ 3.62Å; L156-F184 HydrophobicContact CG-CE2 4.03Å; L156-F184 HydrophobicContact CG-CZ 3.93Å; M160-F184 HydrophobicContact SD-CZ 3.96Å; L172-F184 HydrophobicContact CD1-CE1 3.82Å; R180-F184 PolarHBondContact O-N 3.38Å; D181-F184 PolarHBondContact O-N 3.18Å; F184-S186 PolarHBondContact O-N 3.23Å; F184-M187 WeakPolarHBondContact O-CB 3.48Å; F184-M187 PolarHBondContact O-N 3.19Å; F184-M187 VanDerWaalsContact O-N 3.16Å; F184-L188 HydrophobicContact CE1-CD2 4.44Å; F184-L188 WeakPolarHBondContact O-CB 3.11Å; F184-L188 PolarHBondContact O-N 2.68Å
185	L	96.9	Very high	94.7	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-34.9	175.2	-66.1	-180	0	0	0	112.1	I176 D181 T182 N183 L188 N189 Y208	I176-L185 HydrophobicContact CD1-CD1 3.91Å; D181-L185 PolarHBondContact O-N 2.89Å; T182-L185 PolarHBondContact O-N 2.8Å; N183-L185 PolarHBondContact O-N 3.35Å; L185-L188 PolarHBondContact O-N 3.26Å; L185-N189 PolarHBondContact O-N 3.23Å; L185-N189 PolarHBondContact O-ND2 3.35Å; L185-Y208 HydrophobicContact CD1-CE1 4.25Å; L185-Y208 HydrophobicContact CD1-CE2 3.86Å; L185-Y208 HydrophobicContact CD2-CD2 3.93Å; L185-Y208 HydrophobicContact CD2-CE2 4.05Å; L185-Y208 HydrophobicContact CD2-CG 4.24Å
186	S	97.1	Very high	95	Very high	68 Å²	68	61.6 Å²	61.6	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-67.2	-41.9	174.9	-59.6	0	0	0	0	111.7	T182 N183 F184 N189	T182-S186 PolarHBondContact O-N 3.44Å; T182-S186 PolarHBondContact O-OG 3.12Å; N183-S186 WeakPolarHBondContact O-CB 3.36Å; N183-S186 PolarHBondContact O-N 3.12Å; N183-S186 VanDerWaalsContact O-N 3.15Å; F184-S186 PolarHBondContact O-N 3.23Å; S186-N189 PolarHBondContact O-N 3.4Å
187	M	97.6	Very high	95.3	Very high	50 Å²	50	62 Å²	62	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-43.4	172.7	-66.5	171.5	62.7	0	0	111.5	F153 P154 L157 N183 F184 N189 Q190	F153-M187 HydrophobicContact CB-CE 4.15Å; F153-M187 HydrophobicContact CB-SD 4.14Å; P154-M187 HydrophobicContact CG-CE 4.25Å; L157-M187 HydrophobicContact CD2-CB 4.11Å; L157-M187 HydrophobicContact CD2-CE 4.35Å; N183-M187 WeakPolarHBondContact O-CG 3.48Å; N183-M187 PolarHBondContact O-N 2.85Å; F184-M187 WeakPolarHBondContact O-CB 3.48Å; F184-M187 PolarHBondContact O-N 3.19Å; F184-M187 VanDerWaalsContact O-N 3.16Å; M187-N189 VanDerWaalsContact C-N 3.33Å; M187-N189 PolarHBondContact O-N 3.47Å; M187-Q190 WeakPolarHBondContact O-CB 3.32Å; M187-Q190 PolarHBondContact O-N 3.44Å; M187-Q190 VanDerWaalsContact O-N 3.13Å
188	L	97.7	Very high	95.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-42.8	178.8	-172.8	65.5	0	0	0	111.5	L157 M160 L172 F184 L185 Q190 R191 F192 V194 A210	L157-L188 HydrophobicContact CD1-CD1 3.7Å; M160-L188 HydrophobicContact CE-CD1 3.51Å; M160-L188 HydrophobicContact CE-CD2 4.3Å; M160-L188 HydrophobicContact SD-CD1 4.22Å; L172-L188 HydrophobicContact CD1-CD2 3.81Å; F184-L188 HydrophobicContact CE1-CD2 4.44Å; F184-L188 WeakPolarHBondContact O-CB 3.11Å; F184-L188 PolarHBondContact O-N 2.68Å; L185-L188 PolarHBondContact O-N 3.26Å; L188-Q190 PolarHBondContact O-N 3.48Å; L188-Q190 VanDerWaalsContact O-N 3.14Å; L188-R191 PolarHBondContact O-N 3.47Å; L188-F192 HydrophobicContact CD1-CB 4.33Å; L188-F192 HydrophobicContact CD1-CD2 3.41Å; L188-F192 VanDerWaalsContact CD1-CD2 3.41Å; L188-F192 HydrophobicContact CD1-CE2 3.88Å; L188-F192 HydrophobicContact CD1-CG 3.97Å; L188-F192 HydrophobicContact CG-CB 4.38Å; L188-F192 HydrophobicContact CG-CD2 4.26Å; L188-F192 PolarHBondContact O-N 2.9Å; L188-V194 HydrophobicContact CB-CG2 4.28Å; L188-V194 HydrophobicContact CD2-CG1 4.32Å; L188-V194 HydrophobicContact CD2-CG2 3.77Å; L188-V194 HydrophobicContact CG-CG2 3.69Å; L188-A210 HydrophobicContact CD2-CB 4.12Å; L188-A210 HydrophobicContact CG-CB 4.49Å
189	N	97.1	Very high	96.3	Very high	82 Å²	82	61.8 Å²	61.8	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-17.6	177.1	-86.7	-63	0	0	0	114.5	L185 S186 M187 R191 F192 V194	L185-N189 PolarHBondContact O-N 3.23Å; L185-N189 PolarHBondContact O-ND2 3.35Å; S186-N189 PolarHBondContact O-N 3.4Å; M187-N189 VanDerWaalsContact C-N 3.33Å; M187-N189 PolarHBondContact O-N 3.47Å; N189-R191 VanDerWaalsContact C-N 3.28Å; N189-F192 CarbonylContact C-O 3.55Å; N189-F192 WeakPolarHBondContact CA-O 3.41Å; N189-V194 WeakPolarHBondContact OD1-CB 3.4Å; N189-V194 WeakPolarHBondContact OD1-CG2 3.23Å
190	Q	96.9	Very high	96.6	Very high	133 Å²	133	55.5 Å²	55.5	62%	0.621	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20	174.4	-61.9	173.5	11.8	0	0	112.5	M187 L188	M187-Q190 WeakPolarHBondContact O-CB 3.32Å; M187-Q190 PolarHBondContact O-N 3.44Å; M187-Q190 VanDerWaalsContact O-N 3.13Å; L188-Q190 PolarHBondContact O-N 3.48Å; L188-Q190 VanDerWaalsContact O-N 3.14Å
191	R	97.3	Very high	96.7	Very high	123 Å²	123	61.2 Å²	61.2	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-21.6	-173.3	-56.5	-60	-169.1	-166.2	-1.5	113.3	L157 E161 L188 N189 L213	L157-R191 HydrophobicContact CD1-CB 4.31Å; L157-R191 HydrophobicContact CD1-CG 4.29Å; L157-R191 HydrophobicContact CD2-CG 4.06Å; L157-R191 HydrophobicContact CG-CG 4.37Å; E161-R191 HydrophobicContact CG-CB 4.16Å; E161-R191 HydrophobicContact CG-CG 4.39Å; E161-R191 VanDerWaalsContact OE1-CD 3.3Å; E161-R191 WeakPolarHBondContact OE1-CD 3.49Å; E161-R191 IonicContact OE1-NE 3.85Å; E161-R191 IonicContact OE2-NE 3.64Å; L188-R191 PolarHBondContact O-N 3.47Å; N189-R191 VanDerWaalsContact C-N 3.28Å; R191-L213 WeakPolarHBondContact O-CB 3.2Å; R191-L213 WeakPolarHBondContact O-CG 3.42Å; R191-L213 PolarHBondContact O-N 3.34Å
192	F	98.4	Very high	96.8	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.1	-178	-62.4	-105.2	0	0	0	110.5	L157 M160 E161 V170 L188 N189 V194 A210 V211 K212	L157-F192 HydrophobicContact CD1-CD2 4.25Å; L157-F192 HydrophobicContact CD1-CE2 3.93Å; M160-F192 HydrophobicContact CB-CE2 4.44Å; M160-F192 HydrophobicContact CB-CZ 4.07Å; E161-F192 HydrophobicContact CG-CE2 3.62Å; E161-F192 HydrophobicContact CG-CZ 3.94Å; V170-F192 HydrophobicContact CG2-CD1 4.34Å; V170-F192 HydrophobicContact CG2-CE1 3.89Å; L188-F192 HydrophobicContact CD1-CB 4.33Å; L188-F192 HydrophobicContact CD1-CD2 3.41Å; L188-F192 VanDerWaalsContact CD1-CD2 3.41Å; L188-F192 HydrophobicContact CD1-CE2 3.88Å; L188-F192 HydrophobicContact CD1-CG 3.97Å; L188-F192 HydrophobicContact CG-CB 4.38Å; L188-F192 HydrophobicContact CG-CD2 4.26Å; L188-F192 PolarHBondContact O-N 2.9Å; N189-F192 CarbonylContact C-O 3.55Å; N189-F192 WeakPolarHBondContact CA-O 3.41Å; F192-V194 HydrophobicContact CB-CG2 4.21Å; F192-A210 HydrophobicContact CB-CB 3.84Å; F192-A210 HydrophobicContact CD1-CB 4.09Å; F192-A210 HydrophobicContact CG-CB 4.16Å; F192-V211 CarbonylContact C-O 3.55Å; F192-V211 WeakPolarHBondContact CA-O 3.32Å; F192-V211 WeakPolarHBondContact CB-O 3.21Å; F192-V211 VanDerWaalsContact CD1-C 3.49Å; F192-K212 VanDerWaalsContact CD1-CA 3.44Å; F192-K212 HydrophobicContact CD1-CB 3.99Å; F192-K212 HydrophobicContact CE1-CB 3.79Å; F192-K212 HydrophobicContact CE1-CG 4.23Å; F192-K212 HydrophobicContact CZ-CB 4.5Å; F192-K212 HydrophobicContact CZ-CG 4.47Å
193	T	98.1	Very high	96.6	Very high	62 Å²	62	69.6 Å²	69.6	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.7	158.8	-56.4	0	0	0	0	108.1	H195 A210 V211 L213	T193-H195 VanDerWaalsContact CG2-NE2 3.27Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.46Å; T193-A210 CarbonylContact O-C 3.59Å; T193-A210 VanDerWaalsContact O-CA 3.24Å; T193-A210 WeakPolarHBondContact O-CA 3.36Å; T193-V211 PolarHBondContact N-O 3.46Å; T193-V211 PolarHBondContact O-N 3.1Å; T193-L213 VanDerWaalsContact OG1-CD2 3.29Å; T193-L213 WeakPolarHBondContact OG1-CD2 3.4Å
194	V	98.2	Very high	96.6	Very high	21 Å²	21	69.4 Å²	69.4	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.5	-176.6	-170.8	0	0	0	0	110.4	L188 N189 F192 Y208 K209 A210	L188-V194 HydrophobicContact CB-CG2 4.28Å; L188-V194 HydrophobicContact CD2-CG1 4.32Å; L188-V194 HydrophobicContact CD2-CG2 3.77Å; L188-V194 HydrophobicContact CG-CG2 3.69Å; N189-V194 WeakPolarHBondContact OD1-CB 3.4Å; N189-V194 WeakPolarHBondContact OD1-CG2 3.23Å; F192-V194 HydrophobicContact CB-CG2 4.21Å; V194-Y208 HydrophobicContact CG1-CD1 4.14Å; V194-Y208 HydrophobicContact CG1-CG 4.33Å; V194-K209 WeakPolarHBondContact CA-O 3.45Å; V194-A210 HydrophobicContact CG2-CB 4.09Å
195	H	97.6	Very high	96.6	Very high	115 Å²	115	69.5 Å²	69.5	53%	0.532	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	174.3	-63.6	-67.9	0	0	0	110.3	T193 V197 Y208 K209	T193-H195 VanDerWaalsContact CG2-NE2 3.27Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.46Å; H195-V197 HydrophobicContact CB-CG1 4.45Å; H195-V197 PolarHBondContact O-N 3.38Å; H195-Y208 CarbonylContact O-C 3.53Å; H195-Y208 WeakPolarHBondContact O-CA 3.48Å; H195-K209 PolarHBondContact N-O 3.24Å; H195-K209 PolarHBondContact O-N 3.47Å
196	E	97.9	Very high	96.6	Very high	99 Å²	99	69.9 Å²	69.9	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.6	163.7	-169.9	173.6	101.1	0	0	108.8	H206 Y208	E196-H206 IonicContact OE1-ND1 3.74Å; E196-H206 IonicContact OE2-CE1 3.91Å; E196-H206 IonicContact OE2-CG 3.94Å; E196-H206 IonicContact OE2-ND1 2.85Å; E196-H206 PolarHBondContact OE2-ND1 2.75Å; E196-Y208 HydrophobicContact CB-CD1 3.96Å; E196-Y208 HydrophobicContact CB-CE1 3.78Å; E196-Y208 HydrophobicContact CG-CD1 4.39Å; E196-Y208 HydrophobicContact CG-CE1 4.03Å; E196-Y208 PolarHBondContact OE2-OH 2.85Å
197	V	98	Very high	96.7	Very high	52 Å²	52	66.6 Å²	66.6	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-14.5	-176.5	-66.3	0	0	0	0	113	Y56 H195 I207 K209	Y56-V197 HydrophobicContact CE1-CG2 4.34Å; Y56-V197 HydrophobicContact CE2-CG2 4.33Å; Y56-V197 WeakPolarHBondContact OH-CG2 3.39Å; H195-V197 HydrophobicContact CB-CG1 4.45Å; H195-V197 PolarHBondContact O-N 3.38Å; V197-I207 HydrophobicContact CG2-CB 4.14Å; V197-I207 HydrophobicContact CG2-CG2 3.8Å; V197-I207 WeakPolarHBondContact CG2-O 3.41Å; V197-I207 PolarHBondContact N-O 3.46Å; V197-K209 HydrophobicContact CB-CB 4.44Å; V197-K209 HydrophobicContact CG1-CB 3.48Å; V197-K209 VanDerWaalsContact CG1-CB 3.48Å; V197-K209 HydrophobicContact CG1-CD 4.23Å; V197-K209 HydrophobicContact CG1-CG 4.5Å; V197-K209 HydrophobicContact CG2-CB 4.07Å
198	H	98	Very high	96.7	Very high	66 Å²	66	65.4 Å²	65.4	31%	0.306	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.3	174.8	-173.2	75.5	0	0	0	110.6	Y56 I207	Y56-H198 HydrophobicContact CD2-CB 3.72Å; Y56-H198 AromaticContact CD2-CG 3.95Å; Y56-H198 HydrophobicContact CE2-CB 3.8Å; H198-I207 HydrophobicContact CB-CB 3.99Å; H198-I207 HydrophobicContact CB-CD1 4.08Å; H198-I207 HydrophobicContact CB-CG1 4.14Å; H198-I207 PolarHBondContact N-O 3.33Å; H198-I207 PolarHBondContact O-N 3.33Å
199	Y	97.7	Very high	96.8	Very high	86 Å²	86	69.3 Å²	69.3	34%	0.337	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	114.8	171	175.8	-131	0	0	0	109.8	K201 D204 I205 H206	Y199-K201 HydrophobicContact CD1-CG 3.75Å; Y199-K201 HydrophobicContact CE1-CB 4.35Å; Y199-K201 HydrophobicContact CE1-CG 3.47Å; Y199-K201 VanDerWaalsContact CE1-CG 3.47Å; Y199-D204 WeakPolarHBondContact CE2-OD1 3.46Å; Y199-D204 PolarHBondContact OH-OD1 2.75Å; Y199-I205 WeakPolarHBondContact CA-O 3.41Å; Y199-I205 WeakPolarHBondContact CD2-O 3.32Å; Y199-H206 AromaticContact CD2-CD2 3.92Å; Y199-H206 AromaticContact CD2-CE1 3.41Å; Y199-H206 VanDerWaalsContact CD2-CE1 3.41Å; Y199-H206 WeakPolarHBondContact CD2-CE1 3.4Å; Y199-H206 AromaticContact CD2-CG 3.84Å; Y199-H206 AromaticContact CD2-ND1 3.53Å; Y199-H206 AromaticContact CD2-NE2 3.68Å; Y199-H206 AromaticContact CE2-CD2 3.91Å; Y199-H206 AromaticContact CE2-CE1 3.46Å; Y199-H206 VanDerWaalsContact CE2-CE1 3.46Å; Y199-H206 WeakPolarHBondContact CE2-CE1 3.17Å; Y199-H206 AromaticContact CE2-NE2 3.37Å; Y199-H206 WeakPolarHBondContact CE2-NE2 3.37Å
200	D	96.4	Very high	96.8	Very high	19 Å²	19	65.4 Å²	65.4	10%	0.102	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.5	170.2	-178.4	-42.9	0	0	0	108.2	V52 E202 R203 D204 I205	V52-D200 HydrophobicContact CG1-CB 3.91Å; V52-D200 HydrophobicContact CG2-CB 4.03Å; D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 3.19Å; D200-E202 WeakPolarHBondContact OD1-CA 3.18Å; D200-E202 WeakPolarHBondContact OD1-CB 3.02Å; D200-E202 PolarHBondContact OD1-N 2.97Å; D200-R203 PolarHBondContact OD1-N 3.42Å; D200-R203 IonicContact OD1-NH1 3.05Å; D200-R203 IonicContact OD2-CZ 3.69Å; D200-R203 IonicContact OD2-NH1 3.35Å; D200-R203 PolarHBondContact OD2-NH1 3.14Å; D200-D204 VanDerWaalsContact O-CA 3.23Å; D200-D204 WeakPolarHBondContact O-CA 3.11Å; D200-D204 PolarHBondContact O-N 3.3Å; D200-I205 HydrophobicContact CB-CB 4.44Å; D200-I205 PolarHBondContact N-O 3.13Å; D200-I205 PolarHBondContact O-N 2.86Å; D200-I205 VanDerWaalsContact O-N 3.07Å
201	K	93.8	Very high	96.9	Very high	167 Å²	167	61.3 Å²	61.3	73%	0.726	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29	-179.4	-72.1	178.8	-178.8	-178.4	0	113.8	Y199	Y199-K201 HydrophobicContact CD1-CG 3.75Å; Y199-K201 HydrophobicContact CE1-CB 4.35Å; Y199-K201 HydrophobicContact CE1-CG 3.47Å; Y199-K201 VanDerWaalsContact CE1-CG 3.47Å
202	E	91.4	Very high	96.9	Very high	170 Å²	170	58.2 Å²	58.2	79%	0.794	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-40.2	-175.2	-63.9	-173.9	165.5	0	0	110.9	D200	D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 3.19Å; D200-E202 WeakPolarHBondContact OD1-CA 3.18Å; D200-E202 WeakPolarHBondContact OD1-CB 3.02Å; D200-E202 PolarHBondContact OD1-N 2.97Å
203	R	89.6	Confident	96.8	Very high	69 Å²	69	61.3 Å²	61.3	26%	0.26	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.1	-179.9	-64.4	173.8	-178	78	8.6	112.9	D48 V52 K175 D200 I205	D48-R203 HydrophobicContact CB-CB 4.42Å; V52-R203 HydrophobicContact CG2-CB 4.32Å; V52-R203 VanDerWaalsContact CG2-CD 3.45Å; V52-R203 HydrophobicContact CG2-CG 4.49Å; K175-R203 PolarHBondContact NZ-O 3.2Å; D200-R203 PolarHBondContact OD1-N 3.42Å; D200-R203 IonicContact OD1-NH1 3.05Å; D200-R203 IonicContact OD2-CZ 3.69Å; D200-R203 IonicContact OD2-NH1 3.35Å; D200-R203 PolarHBondContact OD2-NH1 3.14Å; R203-I205 HydrophobicContact CB-CG1 3.75Å
204	D	94.8	Very high	96.4	Very high	54 Å²	54	62.6 Å²	62.6	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	53.1	-174.9	-168.8	43.6	0	0	0	110.9	K175 Y199 D200	K175-D204 WeakPolarHBondContact CG-O 2.99Å; Y199-D204 WeakPolarHBondContact CE2-OD1 3.46Å; Y199-D204 PolarHBondContact OH-OD1 2.75Å; D200-D204 VanDerWaalsContact O-CA 3.23Å; D200-D204 WeakPolarHBondContact O-CA 3.11Å; D200-D204 PolarHBondContact O-N 3.3Å
205	I	97.4	Very high	95.4	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128	-178.6	-58.8	-59.6	0	0	0	109.7	D48 A49 V52 A173 K175 Y199 D200 R203	D48-I205 HydrophobicContact CB-CD1 4.46Å; D48-I205 HydrophobicContact CB-CG1 4.45Å; A49-I205 HydrophobicContact CB-CD1 4Å; A49-I205 HydrophobicContact CB-CG2 4.18Å; V52-I205 HydrophobicContact CB-CB 4.23Å; V52-I205 HydrophobicContact CB-CG2 3.93Å; V52-I205 HydrophobicContact CG1-CB 4.12Å; V52-I205 HydrophobicContact CG1-CG2 3.82Å; V52-I205 HydrophobicContact CG2-CB 4.06Å; V52-I205 HydrophobicContact CG2-CG1 4Å; V52-I205 HydrophobicContact CG2-CG2 4.3Å; A173-I205 HydrophobicContact CB-CG2 4.22Å; K175-I205 HydrophobicContact CB-CD1 3.68Å; K175-I205 HydrophobicContact CD-CD1 4.18Å; K175-I205 HydrophobicContact CG-CD1 4.32Å; Y199-I205 WeakPolarHBondContact CA-O 3.41Å; Y199-I205 WeakPolarHBondContact CD2-O 3.32Å; D200-I205 HydrophobicContact CB-CB 4.44Å; D200-I205 PolarHBondContact N-O 3.13Å; D200-I205 PolarHBondContact O-N 2.86Å; D200-I205 VanDerWaalsContact O-N 3.07Å; R203-I205 HydrophobicContact CB-CG1 3.75Å
206	H	98.1	Very high	94	Very high	28 Å²	28	71.1 Å²	71.1	13%	0.13	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.4	173.5	-57.7	-102.9	0	0	0	109.6	A173 C174 E196 Y199 Y208	A173-H206 CarbonylContact C-O 3.46Å; A173-H206 VanDerWaalsContact CA-O 3.3Å; A173-H206 WeakPolarHBondContact CA-O 3.38Å; C174-H206 PolarHBondContact N-O 2.93Å; C174-H206 PolarHBondContact O-N 3.15Å; E196-H206 IonicContact OE1-ND1 3.74Å; E196-H206 IonicContact OE2-CE1 3.91Å; E196-H206 IonicContact OE2-CG 3.94Å; E196-H206 IonicContact OE2-ND1 2.85Å; E196-H206 PolarHBondContact OE2-ND1 2.75Å; Y199-H206 AromaticContact CD2-CD2 3.92Å; Y199-H206 AromaticContact CD2-CE1 3.41Å; Y199-H206 VanDerWaalsContact CD2-CE1 3.41Å; Y199-H206 WeakPolarHBondContact CD2-CE1 3.4Å; Y199-H206 AromaticContact CD2-CG 3.84Å; Y199-H206 AromaticContact CD2-ND1 3.53Å; Y199-H206 AromaticContact CD2-NE2 3.68Å; Y199-H206 AromaticContact CE2-CD2 3.91Å; Y199-H206 AromaticContact CE2-CE1 3.46Å; Y199-H206 VanDerWaalsContact CE2-CE1 3.46Å; Y199-H206 WeakPolarHBondContact CE2-CE1 3.17Å; Y199-H206 AromaticContact CE2-NE2 3.37Å; Y199-H206 WeakPolarHBondContact CE2-NE2 3.37Å; H206-Y208 HydrophobicContact CB-CD2 4.29Å; H206-Y208 HydrophobicContact CB-CE1 4.47Å; H206-Y208 HydrophobicContact CB-CE2 3.49Å; H206-Y208 VanDerWaalsContact CB-CE2 3.49Å; H206-Y208 WeakPolarHBondContact CB-OH 3.39Å
207	I	98.5	Very high	92	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.1	166.4	-54.5	-178.5	0	0	0	108.3	V52 M53 Y56 L171 L172 A173 V197 H198	V52-I207 HydrophobicContact CG1-CD1 4.13Å; V52-I207 HydrophobicContact CG1-CG1 4.37Å; M53-I207 HydrophobicContact CE-CG2 4.38Å; M53-I207 HydrophobicContact SD-CD1 4.37Å; M53-I207 HydrophobicContact SD-CG2 4.36Å; Y56-I207 HydrophobicContact CD1-CD1 3.91Å; Y56-I207 HydrophobicContact CD1-CG2 4.42Å; Y56-I207 HydrophobicContact CD2-CD1 3.94Å; Y56-I207 HydrophobicContact CE1-CG2 4.45Å; Y56-I207 HydrophobicContact CG-CD1 3.45Å; Y56-I207 VanDerWaalsContact CG-CD1 3.45Å; L171-I207 HydrophobicContact CD2-CG2 4.41Å; L172-I207 CarbonylContact O-C 3.22Å; L172-I207 WeakPolarHBondContact O-CA 3.45Å; A173-I207 HydrophobicContact CB-CG1 4.18Å; V197-I207 HydrophobicContact CG2-CB 4.14Å; V197-I207 HydrophobicContact CG2-CG2 3.8Å; V197-I207 WeakPolarHBondContact CG2-O 3.41Å; V197-I207 PolarHBondContact N-O 3.46Å; H198-I207 HydrophobicContact CB-CB 3.99Å; H198-I207 HydrophobicContact CB-CD1 4.08Å; H198-I207 HydrophobicContact CB-CG1 4.14Å; H198-I207 PolarHBondContact N-O 3.33Å; H198-I207 PolarHBondContact O-N 3.33Å
208	Y	98.6	Very high	89.9	Confident	24 Å²	24	82 Å²	82	9%	0.094	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.9	174.4	-60	-76.8	0	0	0	110.3	L171 L172 C174 I176 L185 V194 H195 E196 H206	L171-Y208 WeakPolarHBondContact CA-O 3.45Å; L172-Y208 PolarHBondContact N-O 3.2Å; L172-Y208 PolarHBondContact O-N 3.3Å; C174-Y208 HydrophobicContact CB-CE2 4.41Å; I176-Y208 HydrophobicContact CD1-CE2 4.44Å; L185-Y208 HydrophobicContact CD1-CE1 4.25Å; L185-Y208 HydrophobicContact CD1-CE2 3.86Å; L185-Y208 HydrophobicContact CD2-CD2 3.93Å; L185-Y208 HydrophobicContact CD2-CE2 4.05Å; L185-Y208 HydrophobicContact CD2-CG 4.24Å; V194-Y208 HydrophobicContact CG1-CD1 4.14Å; V194-Y208 HydrophobicContact CG1-CG 4.33Å; H195-Y208 CarbonylContact O-C 3.53Å; H195-Y208 WeakPolarHBondContact O-CA 3.48Å; E196-Y208 HydrophobicContact CB-CD1 3.96Å; E196-Y208 HydrophobicContact CB-CE1 3.78Å; E196-Y208 HydrophobicContact CG-CD1 4.39Å; E196-Y208 HydrophobicContact CG-CE1 4.03Å; E196-Y208 PolarHBondContact OE2-OH 2.85Å; H206-Y208 HydrophobicContact CB-CD2 4.29Å; H206-Y208 HydrophobicContact CB-CE1 4.47Å; H206-Y208 HydrophobicContact CB-CE2 3.49Å; H206-Y208 VanDerWaalsContact CB-CE2 3.49Å; H206-Y208 WeakPolarHBondContact CB-OH 3.39Å
209	K	98.5	Very high	87.1	Confident	82 Å²	82	90.2 Å²	90.2	36%	0.357	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.6	167.2	-177.7	-179.9	175.7	176.7	0	108.9	V169 V170 L171 V194 H195 V197	V169-K209 HydrophobicContact CG1-CD 4.21Å; V169-K209 HydrophobicContact CG1-CG 3.8Å; V170-K209 CarbonylContact O-C 3.59Å; V170-K209 WeakPolarHBondContact O-CA 3.48Å; L171-K209 HydrophobicContact CD2-CB 4.14Å; L171-K209 HydrophobicContact CD2-CG 4.31Å; V194-K209 WeakPolarHBondContact CA-O 3.45Å; H195-K209 PolarHBondContact N-O 3.24Å; H195-K209 PolarHBondContact O-N 3.47Å; V197-K209 HydrophobicContact CB-CB 4.44Å; V197-K209 HydrophobicContact CG1-CB 3.48Å; V197-K209 VanDerWaalsContact CG1-CB 3.48Å; V197-K209 HydrophobicContact CG1-CD 4.23Å; V197-K209 HydrophobicContact CG1-CG 4.5Å; V197-K209 HydrophobicContact CG2-CB 4.07Å
210	A	98.4	Very high	86.6	Confident	1 Å²	1	90.5 Å²	90.5	1%	0.008	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.9	176.5	0	0	0	0	0	111.5	V170 L188 F192 T193 V194	V170-A210 HydrophobicContact CB-CB 4.16Å; V170-A210 PolarHBondContact N-O 3.41Å; V170-A210 PolarHBondContact O-N 3.36Å; L188-A210 HydrophobicContact CD2-CB 4.12Å; L188-A210 HydrophobicContact CG-CB 4.49Å; F192-A210 HydrophobicContact CB-CB 3.84Å; F192-A210 HydrophobicContact CD1-CB 4.09Å; F192-A210 HydrophobicContact CG-CB 4.16Å; T193-A210 CarbonylContact O-C 3.59Å; T193-A210 VanDerWaalsContact O-CA 3.24Å; T193-A210 WeakPolarHBondContact O-CA 3.36Å; V194-A210 HydrophobicContact CG2-CB 4.09Å
211	V	98.3	Very high	86	Confident	47 Å²	47	94.2 Å²	94.2	29%	0.285	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.5	176.1	179.8	0	0	0	0	108.6	E166 F192 T193 L213	E166-V211 VanDerWaalsContact O-CG1 3.31Å; E166-V211 WeakPolarHBondContact O-CG1 3.45Å; F192-V211 CarbonylContact C-O 3.55Å; F192-V211 WeakPolarHBondContact CA-O 3.32Å; F192-V211 WeakPolarHBondContact CB-O 3.21Å; F192-V211 VanDerWaalsContact CD1-C 3.49Å; T193-V211 PolarHBondContact N-O 3.46Å; T193-V211 PolarHBondContact O-N 3.1Å; V211-L213 PolarHBondContact O-N 2.89Å
212	K	97.5	Very high	85.6	Confident	57 Å²	57	90.2 Å²	90.2	25%	0.248	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.2	-172.8	-168.9	174.5	-179.7	176.6	0	110.6	E161 S164 F192	E161-K212 PolarHBondContact O-NZ 3Å; S164-K212 VanDerWaalsContact O-CD 3.24Å; S164-K212 WeakPolarHBondContact O-CD 3.49Å; S164-K212 PolarHBondContact O-NZ 3.16Å; F192-K212 VanDerWaalsContact CD1-CA 3.44Å; F192-K212 HydrophobicContact CD1-CB 3.99Å; F192-K212 HydrophobicContact CE1-CB 3.79Å; F192-K212 HydrophobicContact CE1-CG 4.23Å; F192-K212 HydrophobicContact CZ-CB 4.5Å; F192-K212 HydrophobicContact CZ-CG 4.47Å
213	L	95.9	Very high	85.3	Confident	67 Å²	67	85.5 Å²	85.5	35%	0.351	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-67	144.3	174.3	-67.4	173.3	0	0	0	109.7	R191 T193 V211	R191-L213 WeakPolarHBondContact O-CB 3.2Å; R191-L213 WeakPolarHBondContact O-CG 3.42Å; R191-L213 PolarHBondContact O-N 3.34Å; T193-L213 VanDerWaalsContact OG1-CD2 3.29Å; T193-L213 WeakPolarHBondContact OG1-CD2 3.4Å; V211-L213 PolarHBondContact O-N 2.89Å
214	P	89.4	Confident	85	Confident	89 Å²	89	86.5 Å²	86.5	58%	0.578	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-55.9	143.7	173.1	-22.5	32.2	0	0	0	110.8	E166 R216	E166-P214 WeakPolarHBondContact OE1-CA 3.43Å; P214-R216 PolarHBondContact O-N 3.17Å
215	A	78	Confident	84.3	Confident	78 Å²	78	88.7 Å²	88.7	65%	0.645	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-56.2	129.6	170	0	0	0	0	0	108.5	R217	A215-R217 PolarHBondContact O-N 3.07Å
216	R	68.4	Low	83.4	Confident	236 Å²	236	94.9 Å²	94.9	89%	0.891	47%	0.465	S	S	*	.			trans	-57.5	109.8	171.4	-74.8	-173	-180	-179.6	0.6	106.9	P214 D218	P214-R216 PolarHBondContact O-N 3.17Å; R216-D218 PolarHBondContact O-N 3.16Å
217	R	54.7	Low	82.3	Confident	226 Å²	226	100 Å²	100	85%	0.853	49%	0.491	S	S	*	.			trans	-75.5	102.5	165.3	-65.9	-175.9	-165.9	176.3	4.6	104.8	A215 L219	A215-R217 PolarHBondContact O-N 3.07Å; R217-L219 PolarHBondContact O-N 3.05Å
218	D	53.8	Low	80.9	Confident	154 Å²	154	108.3 Å²	108.3	82%	0.824	53%	0.532	S	S	*	.			trans	-61	108.7	163.5	-63	-28.6	0	0	0	105.7	R216	R216-D218 PolarHBondContact O-N 3.16Å
219	L	39.7	Very low	79.3	Confident	239 Å²	239	116 Å²	116	100%	1.251	57%	0.572	S	S	*	*			trans	-74.9	0	172.8	-79.2	167	0	0	0	110	R217	R217-L219 PolarHBondContact O-N 3.05Å

Retrieved 219 of 219 residues in 1252.9 ms (Link to these results)

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