A0A096NT38_PAPAN Loading...

Serotonin N-acetyltransferase

Controls the night/day rhythm of melatonin production in the pineal gland. Catalyzes the N-acetylation of serotonin into N-acetylserotonin, the penultimate step in the synthesis of melatonin.

AlphaFold DB (A0A1I7Q481), UniProt , Accession A0A096NT38, Species PAPAN (Papio anubis, Olive baboon), Gene AANAT, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	31.8	Very low	250 Å²	250	171.8 Å²	171.8	100%	1.232	86%	0.861	S	S	*	*				0	92.1	0	-93.2	167.1	163.2	0	0	106.5
2	E	30	Very low	32.2	Very low	180 Å²	180	164.8 Å²	164.8	84%	0.841	84%	0.837	S	S	*	*			trans	-96	139	175.2	-79.3	-93.5	110.6	0	0	107.9
3	P	34.8	Very low	32.7	Very low	119 Å²	119	162.1 Å²	162.1	77%	0.773	82%	0.816	S	S	*	*			trans	-76.7	128	179.6	29.9	-30.3	0	0	0	110.5	S5	P3-S5 PolarHBondContact O-N 3.48Å
4	Q	30.8	Very low	32.8	Very low	188 Å²	188	152.7 Å²	152.7	88%	0.879	78%	0.78	S	S	*	*			trans	-66.7	112.6	175	-71.6	178.8	-11.3	0	0	110	M6	Q4-M6 PolarHBondContact O-N 3.13Å
5	S	31.1	Very low	32.9	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	77%	0.768	S	S	*	*			trans	-69.7	108.1	169.9	-176.2	0	0	0	0	109.4	P3 K7	P3-S5 PolarHBondContact O-N 3.48Å; S5-K7 PolarHBondContact O-N 2.58Å; S5-K7 VanDerWaalsContact O-N 3.07Å
6	M	30.5	Very low	33.3	Very low	182 Å²	182	145.1 Å²	145.1	90%	0.897	74%	0.738	S	S	*	*			trans	-66.9	104.5	168.9	-73	-147.4	163.5	0	0	108.9	Q4 G8	Q4-M6 PolarHBondContact O-N 3.13Å; M6-G8 PolarHBondContact O-N 2.96Å
7	K	29.4	Very low	33.9	Very low	201 Å²	201	137.7 Å²	137.7	87%	0.874	70%	0.699	S	S	*	*			trans	-61.3	98.4	165.8	-85.8	179.8	177.8	-179.5	0	108.6	S5 E9	S5-K7 PolarHBondContact O-N 2.58Å; S5-K7 VanDerWaalsContact O-N 3.07Å; K7-E9 PolarHBondContact O-N 2.94Å
8	G	28.8	Very low	34.1	Very low	66 Å²	66	133.6 Å²	133.6	68%	0.68	68%	0.679	S	S	*	*			trans	-64.5	111.9	158.5	0	0	0	0	0	108.4	M6 K10	M6-G8 PolarHBondContact O-N 2.96Å; G8-K10 VanDerWaalsContact C-N 3.34Å; G8-K10 PolarHBondContact O-N 2.78Å
9	E	29.1	Very low	34.4	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	67%	0.674	S	S	*	*			trans	-55.9	94.3	169.8	-166.5	90.3	-144	0	0	108.6	K7 R11	K7-E9 PolarHBondContact O-N 2.94Å; E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 2.9Å
10	K	33.4	Very low	34.8	Very low	200 Å²	200	127.1 Å²	127.1	87%	0.87	64%	0.641	S	S	*	*			trans	-67.2	92.9	169.7	-78.1	-171.3	178.1	-175.1	0	107.3	G8	G8-K10 VanDerWaalsContact C-N 3.34Å; G8-K10 PolarHBondContact O-N 2.78Å
11	R	34	Very low	35.2	Very low	214 Å²	214	122.4 Å²	122.4	81%	0.808	62%	0.617	S	S	*	*			trans	-53.6	129.2	163.6	-72.2	-170.5	-88.8	-163.5	-4.5	107.7	E9 F13	E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 2.9Å; R11-F13 PolarHBondContact O-N 2.75Å
12	P	36.3	Very low	35.2	Very low	88 Å²	88	110.6 Å²	110.6	57%	0.571	56%	0.56	S	S	*	*			trans	-65.9	108.8	-176.9	25.5	-31.2	0	0	0	108.8	G14 E15	P12-G14 PolarHBondContact O-N 3.08Å; P12-E15 HydrophobicContact CG-CG 4.44Å; P12-E15 PolarHBondContact O-N 2.99Å; P12-E15 VanDerWaalsContact O-N 3.1Å
13	F	39.1	Very low	35.4	Very low	129 Å²	129	102.7 Å²	102.7	57%	0.566	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.2	-179.8	-104.7	-101.6	0	0	0	113.4	R11 E15 L16	R11-F13 PolarHBondContact O-N 2.75Å; F13-E15 PolarHBondContact O-N 2.77Å; F13-L16 WeakPolarHBondContact O-CB 3.06Å; F13-L16 PolarHBondContact O-N 2.85Å; F13-L16 VanDerWaalsContact O-N 3.08Å
14	G	34.4	Very low	35.7	Very low	31 Å²	31	100.6 Å²	100.6	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-57.1	-29.4	175.5	0	0	0	0	0	114.5	P12 L16 L18	P12-G14 PolarHBondContact O-N 3.08Å; G14-L16 PolarHBondContact O-N 2.98Å; G14-L18 WeakPolarHBondContact O-CG 3.19Å; G14-L18 PolarHBondContact O-N 3.5Å
15	E	34.2	Very low	35.9	Very low	129 Å²	129	96.3 Å²	96.3	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-70.7	-17.7	177.8	-72	-166.2	169.8	0	0	114.2	P12 F13	P12-E15 HydrophobicContact CG-CG 4.44Å; P12-E15 PolarHBondContact O-N 2.99Å; P12-E15 VanDerWaalsContact O-N 3.1Å; F13-E15 PolarHBondContact O-N 2.77Å
16	L	39.4	Very low	36.7	Very low	55 Å²	55	94.8 Å²	94.8	29%	0.288	48%	0.479	S	S	.	.	H	α-helix	trans	-85.5	-32.8	-175.9	-155	58.5	0	0	0	111.3	F13 G14 K19 V20 V100	F13-L16 WeakPolarHBondContact O-CB 3.06Å; F13-L16 PolarHBondContact O-N 2.85Å; F13-L16 VanDerWaalsContact O-N 3.08Å; G14-L16 PolarHBondContact O-N 2.98Å; L16-K19 HydrophobicContact CD1-CD 4.31Å; L16-K19 WeakPolarHBondContact O-CA 3.44Å; L16-K19 VanDerWaalsContact O-CB 3.29Å; L16-K19 WeakPolarHBondContact O-CB 3.41Å; L16-K19 PolarHBondContact O-N 3.39Å; L16-V20 PolarHBondContact O-N 3.36Å; L16-V100 HydrophobicContact CB-CG1 4.12Å; L16-V100 HydrophobicContact CD1-CG2 4.2Å; L16-V100 HydrophobicContact CD2-CB 4.09Å; L16-V100 HydrophobicContact CD2-CG1 3.55Å; L16-V100 HydrophobicContact CD2-CG2 4.31Å; L16-V100 HydrophobicContact CG-CB 4.03Å; L16-V100 HydrophobicContact CG-CG1 3.44Å; L16-V100 VanDerWaalsContact CG-CG1 3.44Å; L16-V100 HydrophobicContact CG-CG2 3.82Å
17	W	42.7	Very low	37.1	Very low	19 Å²	19	93.5 Å²	93.5	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-74.8	-27.8	171.8	-77	99.7	0	0	0	114.3	K19 V20 L21 F97 L101 E202 L205	W17-K19 PolarHBondContact O-N 3.16Å; W17-K19 VanDerWaalsContact O-N 3.1Å; W17-V20 HydrophobicContact CD2-CG2 4.43Å; W17-V20 HydrophobicContact CE3-CB 3.74Å; W17-V20 HydrophobicContact CE3-CG1 3.92Å; W17-V20 HydrophobicContact CE3-CG2 3.98Å; W17-V20 HydrophobicContact CZ3-CB 4.2Å; W17-V20 HydrophobicContact CZ3-CG1 3.87Å; W17-V20 HydrophobicContact CZ3-CG2 4.43Å; W17-V20 PolarHBondContact O-N 2.78Å; W17-L21 PolarHBondContact O-N 3.1Å; W17-F97 AromaticContact CH2-CD1 3.82Å; W17-F97 HydrophobicContact CH2-CD1 3.82Å; W17-F97 AromaticContact CH2-CE1 3.56Å; W17-F97 HydrophobicContact CH2-CE1 3.56Å; W17-F97 HydrophobicContact CZ3-CD1 4.09Å; W17-F97 AromaticContact CZ3-CE1 3.54Å; W17-F97 HydrophobicContact CZ3-CE1 3.54Å; W17-L101 HydrophobicContact CH2-CD1 3.76Å; W17-L101 HydrophobicContact CZ2-CD1 3.41Å; W17-L101 VanDerWaalsContact CZ2-CD1 3.41Å; W17-L101 HydrophobicContact CZ2-CD2 3.68Å; W17-L101 HydrophobicContact CZ2-CG 3.97Å; W17-E202 VanDerWaalsContact CD1-CD 3.43Å; W17-E202 VanDerWaalsContact CE2-CD 3.46Å; W17-E202 HydrophobicContact CZ2-CG 4.27Å; W17-E202 VanDerWaalsContact CZ2-OE1 3.25Å; W17-E202 WeakPolarHBondContact CZ2-OE1 3.02Å; W17-E202 PolarHBondContact NE1-OE1 2.95Å; W17-E202 PolarHBondContact NE1-OE2 3.45Å; W17-L205 HydrophobicContact CD2-CD1 4.48Å; W17-L205 HydrophobicContact CE3-CD1 3.94Å; W17-L205 HydrophobicContact CZ3-CD1 4.39Å
18	L	38.7	Very low	37.3	Very low	63 Å²	63	95.1 Å²	95.1	33%	0.33	48%	0.475	S	S	.	.	I	π-helix	trans	-60.5	-7.7	161.2	-65.6	-179.2	0	0	0	112.4	G14 G22 G23 W26	G14-L18 WeakPolarHBondContact O-CG 3.19Å; G14-L18 PolarHBondContact O-N 3.5Å; L18-G22 VanDerWaalsContact C-C 3.49Å; L18-G22 CarbonylContact O-C 3.58Å; L18-G22 WeakPolarHBondContact O-CA 3.2Å; L18-G22 PolarHBondContact O-N 3.49Å; L18-G23 VanDerWaalsContact CB-CA 3.48Å; L18-G23 PolarHBondContact O-N 3.46Å; L18-W26 HydrophobicContact CD2-CH2 4.45Å
19	K	38.5	Very low	37.7	Very low	135 Å²	135	102 Å²	102	59%	0.587	48%	0.481	S	S	*	.	I	π-helix	trans	-100	-23.3	168.5	-60.1	179.6	-175.3	172.7	0	112.9	L16 W17 R172	L16-K19 HydrophobicContact CD1-CD 4.31Å; L16-K19 WeakPolarHBondContact O-CA 3.44Å; L16-K19 VanDerWaalsContact O-CB 3.29Å; L16-K19 WeakPolarHBondContact O-CB 3.41Å; L16-K19 PolarHBondContact O-N 3.39Å; W17-K19 PolarHBondContact O-N 3.16Å; W17-K19 VanDerWaalsContact O-N 3.1Å; K19-R172 WeakPolarHBondContact O-CD 3.39Å; K19-R172 PolarHBondContact O-NH1 3.34Å
20	V	43.4	Very low	37.9	Very low	2 Å²	2	99.2 Å²	99.2	1%	0.012	48%	0.478	C	S	.	.	I	π-helix	trans	-80.9	-46.9	-179.6	-178.5	0	0	0	0	111.9	L16 W17 A96 F97 V100 R172	L16-V20 PolarHBondContact O-N 3.36Å; W17-V20 HydrophobicContact CD2-CG2 4.43Å; W17-V20 HydrophobicContact CE3-CB 3.74Å; W17-V20 HydrophobicContact CE3-CG1 3.92Å; W17-V20 HydrophobicContact CE3-CG2 3.98Å; W17-V20 HydrophobicContact CZ3-CB 4.2Å; W17-V20 HydrophobicContact CZ3-CG1 3.87Å; W17-V20 HydrophobicContact CZ3-CG2 4.43Å; W17-V20 PolarHBondContact O-N 2.78Å; V20-A96 HydrophobicContact CG1-CB 4.37Å; V20-A96 VanDerWaalsContact CG2-O 3.31Å; V20-A96 WeakPolarHBondContact CG2-O 3.38Å; V20-F97 HydrophobicContact CG1-CE1 4.07Å; V20-F97 HydrophobicContact CG1-CZ 4.15Å; V20-V100 HydrophobicContact CG2-CB 4.43Å; V20-V100 HydrophobicContact CG2-CG1 4.24Å; V20-V100 HydrophobicContact CG2-CG2 4.03Å; V20-R172 WeakPolarHBondContact O-CD 3.49Å; V20-R172 PolarHBondContact O-NE 3.05Å
21	L	42.4	Very low	38.2	Very low	29 Å²	29	94.7 Å²	94.7	15%	0.152	46%	0.463	C	S	.	.	I	π-helix	trans	-106.8	-4.6	174.8	-66.3	176.2	0	0	0	113	W17 L165 L205	W17-L21 PolarHBondContact O-N 3.1Å; L21-L165 HydrophobicContact CD2-CD2 4.48Å; L21-L165 HydrophobicContact CD2-CG 4.39Å; L21-L205 HydrophobicContact CB-CD2 4.19Å; L21-L205 HydrophobicContact CD1-CD1 3.48Å; L21-L205 VanDerWaalsContact CD1-CD1 3.48Å; L21-L205 HydrophobicContact CD1-CD2 3.56Å; L21-L205 HydrophobicContact CD1-CG 4.04Å; L21-L205 HydrophobicContact CG-CD2 4.41Å
22	G	39.3	Very low	38.2	Very low	3 Å²	3	89.1 Å²	89.1	3%	0.031	46%	0.455	C	S	.	.	I	π-helix	trans	90.5	142.9	-172.8	0	0	0	0	0	112.6	L18 W26 Q173	L18-G22 VanDerWaalsContact C-C 3.49Å; L18-G22 CarbonylContact O-C 3.58Å; L18-G22 WeakPolarHBondContact O-CA 3.2Å; L18-G22 PolarHBondContact O-N 3.49Å; G22-W26 WeakPolarHBondContact O-CH2 3.44Å; G22-W26 WeakPolarHBondContact O-CZ2 3.38Å; G22-Q173 VanDerWaalsContact C-NE2 3.29Å; G22-Q173 VanDerWaalsContact CA-CD 3.46Å
23	G	32.8	Very low	37.9	Very low	13 Å²	13	94.9 Å²	94.9	13%	0.134	47%	0.471	C	S	.	.			trans	-106.8	168.6	164.8	0	0	0	0	0	113.6	L18 P25 W26 Q173	L18-G23 VanDerWaalsContact CB-CA 3.48Å; L18-G23 PolarHBondContact O-N 3.46Å; G23-P25 VanDerWaalsContact O-CD 3.26Å; G23-P25 WeakPolarHBondContact O-CD 3.34Å; G23-W26 VanDerWaalsContact C-CH2 3.42Å; G23-W26 VanDerWaalsContact CA-CH2 3.4Å; G23-W26 WeakPolarHBondContact O-CZ2 3.48Å; G23-Q173 PolarHBondContact O-NE2 3.48Å; G23-Q173 PolarHBondContact O-OE1 2.85Å
24	P	42.2	Very low	37.7	Very low	75 Å²	75	95.5 Å²	95.5	49%	0.487	48%	0.484	S	S	.	.	S	Bend	trans	-82.9	126.4	-137	31	-34.3	0	0	0	114.2	W26 L27	P24-W26 HydrophobicContact CB-CD2 4.49Å; P24-W26 HydrophobicContact CB-CE3 4.01Å; P24-W26 HydrophobicContact CB-CH2 4.09Å; P24-W26 HydrophobicContact CB-CZ3 3.79Å; P24-L27 HydrophobicContact CB-CD1 4.33Å
25	P	34	Very low	37.5	Very low	99 Å²	99	97 Å²	97	64%	0.643	50%	0.5	S	S	*	.	S	Bend		-114	3.6	128.2	-9.3	27.9	0	0	0	114.2	G23	G23-P25 VanDerWaalsContact O-CD 3.26Å; G23-P25 WeakPolarHBondContact O-CD 3.34Å
26	W	47.4	Very low	37.2	Very low	79 Å²	79	96.6 Å²	96.6	30%	0.299	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-102.5	12.8	-165.4	16.8	-105	0	0	0	115.4	L18 G22 G23 P24 R28	L18-W26 HydrophobicContact CD2-CH2 4.45Å; G22-W26 WeakPolarHBondContact O-CH2 3.44Å; G22-W26 WeakPolarHBondContact O-CZ2 3.38Å; G23-W26 VanDerWaalsContact C-CH2 3.42Å; G23-W26 VanDerWaalsContact CA-CH2 3.4Å; G23-W26 WeakPolarHBondContact O-CZ2 3.48Å; P24-W26 HydrophobicContact CB-CD2 4.49Å; P24-W26 HydrophobicContact CB-CE3 4.01Å; P24-W26 HydrophobicContact CB-CH2 4.09Å; P24-W26 HydrophobicContact CB-CZ3 3.79Å; W26-R28 PolarHBondContact O-N 2.87Å
27	L	40.3	Very low	36.8	Very low	156 Å²	156	99.7 Å²	99.7	82%	0.817	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-61.7	-5	164.2	-84.5	163.1	0	0	0	113.1	P24	P24-L27 HydrophobicContact CB-CD1 4.33Å
28	R	34	Very low	36.2	Very low	234 Å²	234	110.5 Å²	110.5	88%	0.883	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-130.8	10.6	-174.3	-67.5	-169.7	-178.1	-126.9	2.7	116.4	W26	W26-R28 PolarHBondContact O-N 2.87Å
29	R	36.2	Very low	35.7	Very low	212 Å²	212	116.7 Å²	116.7	80%	0.8	60%	0.601	S	S	*	*			trans	-117.5	123	-177.2	-67.4	-166.9	-177.8	-158.3	1.5	112.9
30	P	33.7	Very low	35.3	Very low	119 Å²	119	114.4 Å²	114.4	77%	0.773	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-59.9	151.8	166.9	-18.4	30.2	0	0	0	111.1
31	L	38.6	Very low	34.8	Very low	104 Å²	104	120.3 Å²	120.3	55%	0.545	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-48.8	134.6	169.8	-79.8	154.3	0	0	0	110.5	K33	L31-K33 PolarHBondContact O-N 3.03Å
32	P	34.1	Very low	34.3	Very low	98 Å²	98	126.1 Å²	126.1	64%	0.636	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.5	177.1	-16.3	28	0	0	0	110.1	V34	P32-V34 PolarHBondContact O-N 3.29Å
33	K	30.3	Very low	33.8	Very low	209 Å²	209	130.1 Å²	130.1	91%	0.909	72%	0.715	S	S	*	*			trans	-72.9	106.4	165.5	-68.3	-176.2	-179.7	177.9	0	107.3	L31 G35	L31-K33 PolarHBondContact O-N 3.03Å; K33-G35 PolarHBondContact O-N 3.4Å; K33-G35 VanDerWaalsContact O-N 3.12Å
34	V	35.9	Very low	33.7	Very low	141 Å²	141	141 Å²	141	86%	0.855	75%	0.752	S	S	*	*			trans	-70.3	106	168	177.1	0	0	0	0	106.9	P32	P32-V34 PolarHBondContact O-N 3.29Å
35	G	30.4	Very low	32.9	Very low	62 Å²	62	146.4 Å²	146.4	64%	0.639	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-71.6	137.6	173.3	0	0	0	0	0	110.5	K33	K33-G35 PolarHBondContact O-N 3.4Å; K33-G35 VanDerWaalsContact O-N 3.12Å
36	C	26.9	Very low	32.8	Very low	122 Å²	122	146.5 Å²	146.5	82%	0.824	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.4	134.3	171.8	-155.6	0	0	0	0	109.4	R38	C36-R38 PolarHBondContact O-N 2.88Å
37	P	31	Very low	32	Very low	119 Å²	119	149.3 Å²	149.3	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.1	171.7	-20.3	32.2	0	0	0	110.3	E39	P37-E39 PolarHBondContact O-N 2.78Å
38	R	29.4	Very low	31.6	Very low	246 Å²	246	151.2 Å²	151.2	93%	0.928	81%	0.807	S	S	*	*			trans	-75.2	110.4	-179.4	-157.7	179.6	-176.4	-178.1	-0.3	108.3	C36	C36-R38 PolarHBondContact O-N 2.88Å
39	E	29.5	Very low	31.4	Very low	193 Å²	193	146 Å²	146	90%	0.902	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.5	132.6	167.2	-78.6	-159.9	144.7	0	0	109.9	P37	P37-E39 PolarHBondContact O-N 2.78Å
40	A	29	Very low	31.2	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-92.2	149.4	174.1	0	0	0	0	0	110.2
41	P	33.9	Very low	31.3	Very low	127 Å²	127	144.8 Å²	144.8	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.1	147.1	-165.5	35.2	-33	0	0	0	112.3
42	V	31.7	Very low	31.3	Very low	150 Å²	150	145.9 Å²	145.9	91%	0.909	82%	0.821	S	S	*	*			trans	-123.8	126.4	160.1	178.6	0	0	0	0	108.7
43	A	28.2	Very low	31.7	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	83%	0.828	S	S	*	*			trans	-106.3	157.7	-176	0	0	0	0	0	112.5
44	R	30.3	Very low	31.9	Very low	242 Å²	242	144.5 Å²	144.5	91%	0.913	82%	0.818	S	S	*	*			trans	104.5	99.3	150.6	-68.8	-171.3	169.2	162.3	-2.5	120.8
45	M	26.3	Very low	31.9	Very low	188 Å²	188	144 Å²	144	93%	0.926	82%	0.818	S	S	*	*				26.9	126.6	119.5	-95.2	160	165.9	0	0	124.6
46	S	30.7	Very low	32.4	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	82%	0.817	S	S	*	*				88.2	120.4	118.8	-143.1	0	0	0	0	123.1
47	T	31.3	Very low	33	Very low	138 Å²	138	145.5 Å²	145.5	85%	0.847	81%	0.809	S	S	*	*				161.1	151.6	107.5	41.8	0	0	0	0	113.6
48	Q	33	Very low	33.4	Very low	197 Å²	197	145.9 Å²	145.9	92%	0.921	81%	0.812	S	S	*	*			trans	-77.4	153.8	-176.6	-68.9	168.1	-6	0	0	114.3
49	S	29.6	Very low	33.9	Very low	124 Å²	124	145 Å²	145	87%	0.867	81%	0.808	S	S	*	*			trans	-167.6	160.6	141.8	-162.8	0	0	0	0	112.9
50	T	31.2	Very low	34.6	Very low	130 Å²	130	143.4 Å²	143.4	80%	0.798	81%	0.805	S	S	*	*			trans	-107.8	157.3	-151.5	-28.8	0	0	0	0	113.9
51	H	35.3	Very low	35.3	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.815	81%	0.805	S	S	*	*			trans	-60.4	172.3	-167.8	-56.6	-81.7	0	0	0	120.1
52	P	39	Very low	35.6	Very low	126 Å²	126	144 Å²	144	82%	0.818	80%	0.802	S	S	*	*				-144.6	179	82.8	30.3	-6.2	0	0	0	116.7
53	P	43.3	Very low	35.8	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	79%	0.794	S	S	*	*			trans	-115.6	164.7	-143.4	42.7	-35.3	0	0	0	120.5
54	K	33.8	Very low	36.6	Very low	159 Å²	159	144.5 Å²	144.5	69%	0.691	80%	0.798	S	S	*	*			trans	56.9	144.1	150.6	-118.2	-176.1	171.7	174.5	0	121.1	E56	K54-E56 WeakPolarHBondContact CE-OE2 3.18Å; K54-E56 IonicContact NZ-OE2 3.73Å; K54-E56 PolarHBondContact NZ-OE2 3.41Å
55	P	36.7	Very low	37.4	Very low	131 Å²	131	137.8 Å²	137.8	85%	0.851	79%	0.788	S	S	*	*				-133	167.5	72.6	21.1	1.5	0	0	0	116
56	E	39.3	Very low	38.7	Very low	135 Å²	135	133.2 Å²	133.2	63%	0.631	78%	0.775	S	S	*	*			trans	-76.3	128.5	-168	-159.6	143.4	179.3	0	0	113.4	K54	K54-E56 WeakPolarHBondContact CE-OE2 3.18Å; K54-E56 IonicContact NZ-OE2 3.73Å; K54-E56 PolarHBondContact NZ-OE2 3.41Å
57	A	40.7	Very low	39.6	Very low	79 Å²	79	134 Å²	134	65%	0.653	78%	0.779	S	S	*	*			trans	-105.9	148.3	171.3	0	0	0	0	0	110.8	R59	A57-R59 PolarHBondContact O-N 2.74Å
58	P	38.7	Very low	41	Very low	127 Å²	127	134.9 Å²	134.9	83%	0.825	77%	0.773	S	S	*	*			trans	-63.8	134.3	-172.2	-16	29.5	0	0	0	111.8	L60	P58-L60 PolarHBondContact O-N 2.77Å; P58-L60 VanDerWaalsContact O-N 3.13Å
59	R	40.1	Very low	42.4	Very low	229 Å²	229	135.7 Å²	135.7	86%	0.864	77%	0.768	S	S	*	*			trans	-69.4	107.2	179.9	-60.4	-172.9	-175.8	-152.4	1.6	110.2	A57	A57-R59 PolarHBondContact O-N 2.74Å
60	L	44.2	Very low	44	Very low	159 Å²	159	140.6 Å²	140.6	83%	0.832	77%	0.767	S	S	*	*			trans	-71.6	140.9	159.9	-73.8	164.3	0	0	0	108.7	P58	P58-L60 PolarHBondContact O-N 2.77Å; P58-L60 VanDerWaalsContact O-N 3.13Å
61	P	43	Very low	45.9	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	77%	0.767	S	S	*	*			trans	-62.8	147	177	26.5	-32.1	0	0	0	109.7	A63	P61-A63 PolarHBondContact O-N 3.1Å
62	P	40.6	Very low	48	Very low	118 Å²	118	140 Å²	140	77%	0.766	76%	0.764	S	S	*	*			trans	-63.2	110.3	176.7	25.2	-30.6	0	0	0	108.4	I64	P62-I64 VanDerWaalsContact C-N 3.32Å; P62-I64 PolarHBondContact O-N 2.91Å
63	A	36.1	Very low	49.9	Very low	90 Å²	90	140 Å²	140	74%	0.744	76%	0.757	S	S	*	*			trans	-61	103.5	160.7	0	0	0	0	0	106.1	P61 S65	P61-A63 PolarHBondContact O-N 3.1Å; A63-S65 PolarHBondContact O-N 2.9Å
64	I	45.4	Very low	52	Low	156 Å²	156	137.2 Å²	137.2	80%	0.8	74%	0.738	S	S	*	*			trans	-68.2	80.7	165.3	-53.8	168.4	0	0	0	104.7	P62 S66	P62-I64 VanDerWaalsContact C-N 3.32Å; P62-I64 PolarHBondContact O-N 2.91Å; I64-S66 PolarHBondContact O-N 2.71Å
65	S	47	Very low	54.7	Low	101 Å²	101	133.1 Å²	133.1	71%	0.706	74%	0.735	S	S	*	*			trans	-71.6	85.5	165.4	61.1	0	0	0	0	105.7	A63 C67	A63-S65 PolarHBondContact O-N 2.9Å; S65-C67 PolarHBondContact O-N 3.21Å
66	S	54.6	Low	57.4	Low	93 Å²	93	129.7 Å²	129.7	65%	0.65	71%	0.714	S	S	*	*			trans	-62.2	87.5	158.2	58.2	0	0	0	0	105.7	I64 Q68	I64-S66 PolarHBondContact O-N 2.71Å; S66-Q68 PolarHBondContact O-N 2.94Å
67	C	48.6	Very low	60.1	Low	117 Å²	117	126.5 Å²	126.5	79%	0.791	70%	0.699	S	S	*	*			trans	-64.2	87.8	171.7	-169.3	0	0	0	0	105.6	S65 R69	S65-C67 PolarHBondContact O-N 3.21Å; C67-R69 PolarHBondContact O-N 3.3Å
68	Q	60.2	Low	62.9	Low	156 Å²	156	125.4 Å²	125.4	73%	0.729	68%	0.679	S	S	*	*			trans	-62.5	98.1	168.7	-82.9	-177.3	-23.3	0	0	105.6	S66 R70	S66-Q68 PolarHBondContact O-N 2.94Å; Q68-R70 PolarHBondContact O-N 3.26Å; Q68-R70 VanDerWaalsContact O-N 3.08Å
69	R	64	Low	65.7	Low	214 Å²	214	122.7 Å²	122.7	81%	0.808	65%	0.653	S	S	*	*			trans	-52.1	118.6	169.9	-178.4	-178.6	-68.5	-130.4	0.7	105.8	C67 H71	C67-R69 PolarHBondContact O-N 3.3Å; R69-H71 PolarHBondContact O-N 3.46Å
70	R	63.1	Low	68.4	Low	227 Å²	227	114 Å²	114	86%	0.857	63%	0.626	S	S	*	*			trans	-44	116.8	175	-73.8	-175.1	-83.5	-166.9	-5	108.3	Q68 T72	Q68-R70 PolarHBondContact O-N 3.26Å; Q68-R70 VanDerWaalsContact O-N 3.08Å; R70-T72 PolarHBondContact O-N 2.86Å
71	H	70.4	Confident	71	Confident	172 Å²	172	106.4 Å²	106.4	80%	0.796	59%	0.587	S	S	*	*			trans	-73	95.4	-176.9	-65.1	-79.5	0	0	0	108.2	R69	R69-H71 PolarHBondContact O-N 3.46Å
72	T	78.5	Confident	73.7	Confident	123 Å²	123	103.7 Å²	103.7	76%	0.755	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-86	134.5	162.4	53.8	0	0	0	0	107.7	R70	R70-T72 PolarHBondContact O-N 2.86Å
73	L	79.8	Confident	76.4	Confident	125 Å²	125	100.4 Å²	100.4	65%	0.654	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-57.6	135.7	176.2	-65.3	173.6	0	0	0	109.6	A75 E128	L73-A75 PolarHBondContact O-N 2.96Å; L73-E128 WeakPolarHBondContact CD1-O 3.41Å
74	P	86.7	Confident	79.3	Confident	61 Å²	61	103.3 Å²	103.3	40%	0.396	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-58.3	140.2	173.6	-22.8	33.9	0	0	0	110.5	S76 E77 E128	P74-S76 PolarHBondContact O-N 3.17Å; P74-E77 HydrophobicContact CB-CB 4.21Å; P74-E128 WeakPolarHBondContact O-CA 3.37Å; P74-E128 PolarHBondContact O-N 3.25Å
75	A	90.3	Very high	81.8	Confident	74 Å²	74	96.7 Å²	96.7	61%	0.612	51%	0.511	S	S	*	.	S	Bend	trans	-62	-36.5	174.8	0	0	0	0	0	111.7	L73 E127 E128	L73-A75 PolarHBondContact O-N 2.96Å; A75-E127 WeakPolarHBondContact O-CA 3.42Å; A75-E128 PolarHBondContact O-N 3.02Å; A75-E128 VanDerWaalsContact O-N 3.1Å
76	S	94.9	Very high	84.3	Confident	59 Å²	59	91.9 Å²	91.9	41%	0.413	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.5	177.5	-158	0	0	0	0	109.9	P74 W125 F126 E127	P74-S76 PolarHBondContact O-N 3.17Å; S76-W125 PolarHBondContact OG-NE1 3.35Å; S76-F126 CarbonylContact C-O 3.59Å; S76-F126 WeakPolarHBondContact CA-O 3.33Å; S76-E127 WeakPolarHBondContact CB-OE1 3.49Å; S76-E127 PolarHBondContact OG-OE1 3.45Å
77	E	96.3	Very high	86.3	Confident	68 Å²	68	90.5 Å²	90.5	32%	0.318	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.3	-176.6	-179.9	176.9	-177.3	0	0	111.7	P74 R79 W125 F126	P74-E77 HydrophobicContact CB-CB 4.21Å; E77-R79 HydrophobicContact CG-CG 4.48Å; E77-W125 WeakPolarHBondContact O-CA 3.27Å; E77-F126 HydrophobicContact CB-CB 4.34Å; E77-F126 PolarHBondContact N-O 2.98Å; E77-F126 PolarHBondContact O-N 2.94Å
78	F	97.9	Very high	88.6	Confident	56 Å²	56	87.3 Å²	87.3	25%	0.246	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125	168.1	-64.2	-90.9	0	0	0	108.9	G124 W125 I179 L180 R183	F78-G124 WeakPolarHBondContact CA-O 3.39Å; F78-W125 HydrophobicContact CD1-CB 4.07Å; F78-W125 HydrophobicContact CD1-CD2 4.33Å; F78-W125 HydrophobicContact CD1-CG 4.07Å; F78-W125 HydrophobicContact CE1-CB 3.87Å; F78-W125 AromaticContact CE1-CD2 3.35Å; F78-W125 HydrophobicContact CE1-CD2 3.35Å; F78-W125 AromaticContact CE1-CE2 3.83Å; F78-W125 AromaticContact CE1-CE3 3.51Å; F78-W125 HydrophobicContact CE1-CE3 3.51Å; F78-W125 AromaticContact CE1-CG 3.54Å; F78-W125 HydrophobicContact CE1-CG 3.54Å; F78-W125 HydrophobicContact CE1-CZ2 4.41Å; F78-W125 HydrophobicContact CE1-CZ3 4.1Å; F78-W125 HydrophobicContact CE2-CD2 4.36Å; F78-W125 AromaticContact CE2-CE2 3.98Å; F78-W125 HydrophobicContact CE2-CZ2 4.25Å; F78-W125 AromaticContact CZ-CD2 3.37Å; F78-W125 HydrophobicContact CZ-CD2 3.37Å; F78-W125 AromaticContact CZ-CE2 3.31Å; F78-W125 AromaticContact CZ-CE3 3.65Å; F78-W125 HydrophobicContact CZ-CE3 3.65Å; F78-W125 AromaticContact CZ-CG 3.86Å; F78-W125 HydrophobicContact CZ-CG 3.86Å; F78-W125 AromaticContact CZ-CH2 3.87Å; F78-W125 HydrophobicContact CZ-CH2 3.87Å; F78-W125 AromaticContact CZ-CZ2 3.58Å; F78-W125 HydrophobicContact CZ-CZ2 3.58Å; F78-W125 AromaticContact CZ-CZ3 3.86Å; F78-W125 HydrophobicContact CZ-CZ3 3.86Å; F78-W125 AromaticContact CZ-NE1 3.8Å; F78-I179 HydrophobicContact CE1-CG2 4.49Å; F78-I179 HydrophobicContact CZ-CG2 4.12Å; F78-L180 HydrophobicContact CD1-CD1 4.15Å; F78-L180 HydrophobicContact CE1-CD1 4.25Å; F78-R183 VanDerWaalsContact CE1-CD 3.45Å
79	R	97.6	Very high	90.4	Very high	70 Å²	70	79.9 Å²	79.9	26%	0.264	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	161.1	177.7	60.9	170.3	-178.9	80.5	-5.2	111.5	E77 D85 G124 F126	E77-R79 HydrophobicContact CG-CG 4.48Å; R79-D85 IonicContact CZ-OD1 3.72Å; R79-D85 IonicContact CZ-OD2 2.89Å; R79-D85 IonicContact NH1-OD1 3.8Å; R79-D85 IonicContact NH1-OD2 3.52Å; R79-D85 PolarHBondContact NH1-OD2 3.3Å; R79-D85 IonicContact NH2-OD1 3.81Å; R79-D85 PolarHBondContact NH2-OD1 2.98Å; R79-D85 IonicContact NH2-OD2 2.7Å; R79-D85 PolarHBondContact NH2-OD2 2.88Å; R79-G124 PolarHBondContact N-O 3.49Å; R79-G124 VanDerWaalsContact N-O 3.17Å; R79-G124 PolarHBondContact O-N 3.45Å; R79-F126 HydrophobicContact CG-CD2 3.83Å; R79-F126 HydrophobicContact CG-CE2 3.5Å; R79-F126 VanDerWaalsContact CG-CE2 3.5Å; R79-F126 HydrophobicContact CG-CZ 4.38Å
80	C	98.2	Very high	91.9	Very high	46 Å²	46	71.5 Å²	71.5	31%	0.311	38%	0.379	S	S	.	.			trans	-59.4	146.1	166.6	-64.9	0	0	0	0	109.3
81	L	98.5	Very high	93.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.36	C	S	.	.			trans	-77.5	156.2	173.5	-59	178.5	0	0	0	110	D85 L115 P119 S122 F126 L131 F134 I136	L81-D85 WeakPolarHBondContact CA-OD2 3.49Å; L81-D85 HydrophobicContact CB-CB 4.38Å; L81-D85 HydrophobicContact CD2-CB 4.09Å; L81-L115 HydrophobicContact CB-CD1 3.93Å; L81-L115 HydrophobicContact CB-CD2 3.58Å; L81-L115 HydrophobicContact CB-CG 4.4Å; L81-L115 HydrophobicContact CD1-CD1 4.45Å; L81-L115 HydrophobicContact CD1-CD2 4.22Å; L81-P119 WeakPolarHBondContact O-CB 3.35Å; L81-S122 WeakPolarHBondContact CB-OG 3.48Å; L81-S122 PolarHBondContact N-OG 3.44Å; L81-F126 HydrophobicContact CD2-CE2 4.05Å; L81-F126 HydrophobicContact CD2-CZ 3.72Å; L81-L131 HydrophobicContact CD2-CD1 3.86Å; L81-L131 HydrophobicContact CD2-CD2 4.31Å; L81-F134 HydrophobicContact CD1-CB 3.83Å; L81-F134 HydrophobicContact CD1-CD2 4.1Å; L81-F134 HydrophobicContact CD1-CG 4.23Å; L81-I136 HydrophobicContact CD1-CD1 4.25Å; L81-I136 HydrophobicContact CD1-CG1 3.93Å
82	T	98.3	Very high	94.5	Very high	52 Å²	52	57.4 Å²	57.4	32%	0.319	32%	0.323	S	S	.	.			trans	-122.7	160	177.9	60	0	0	0	0	109.1	E84 D85 L115	T82-E84 WeakPolarHBondContact CB-OE2 3.25Å; T82-E84 PolarHBondContact O-N 2.96Å; T82-E84 PolarHBondContact OG1-OE2 3.16Å; T82-D85 PolarHBondContact N-OD2 3.43Å; T82-D85 WeakPolarHBondContact O-CB 3.33Å; T82-D85 PolarHBondContact O-N 2.82Å; T82-D85 PolarHBondContact OG1-OD2 3.22Å; T82-L115 VanDerWaalsContact O-CD1 3.27Å; T82-L115 WeakPolarHBondContact O-CD1 3.14Å
83	P	98.1	Very high	95	Very high	49 Å²	49	51.6 Å²	51.6	32%	0.318	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-53.4	-26.7	177.1	-27.7	36.5	0	0	0	114.1	D85 A86 L115	P83-D85 VanDerWaalsContact C-N 3.29Å; P83-D85 PolarHBondContact O-N 3.17Å; P83-A86 WeakPolarHBondContact O-CB 3.47Å; P83-A86 PolarHBondContact O-N 3.26Å; P83-L115 HydrophobicContact CG-CB 4.45Å
84	E	97.8	Very high	95.4	Very high	151 Å²	151	51.4 Å²	51.4	71%	0.706	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-65.4	-30	175	-65.1	71.7	-158.2	0	0	112.7	T82 A86	T82-E84 WeakPolarHBondContact CB-OE2 3.25Å; T82-E84 PolarHBondContact O-N 2.96Å; T82-E84 PolarHBondContact OG1-OE2 3.16Å; E84-A86 VanDerWaalsContact C-N 3.25Å; E84-A86 PolarHBondContact O-N 3.4Å
85	D	98.1	Very high	95.4	Very high	16 Å²	16	51.8 Å²	51.8	9%	0.086	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-78.2	-8.6	178.7	-57.1	-61.7	0	0	0	112.8	R79 L81 T82 P83 V87 S88 A89	R79-D85 IonicContact CZ-OD1 3.72Å; R79-D85 IonicContact CZ-OD2 2.89Å; R79-D85 IonicContact NH1-OD1 3.8Å; R79-D85 IonicContact NH1-OD2 3.52Å; R79-D85 PolarHBondContact NH1-OD2 3.3Å; R79-D85 IonicContact NH2-OD1 3.81Å; R79-D85 PolarHBondContact NH2-OD1 2.98Å; R79-D85 IonicContact NH2-OD2 2.7Å; R79-D85 PolarHBondContact NH2-OD2 2.88Å; L81-D85 WeakPolarHBondContact CA-OD2 3.49Å; L81-D85 HydrophobicContact CB-CB 4.38Å; L81-D85 HydrophobicContact CD2-CB 4.09Å; T82-D85 PolarHBondContact N-OD2 3.43Å; T82-D85 WeakPolarHBondContact O-CB 3.33Å; T82-D85 PolarHBondContact O-N 2.82Å; T82-D85 PolarHBondContact OG1-OD2 3.22Å; P83-D85 VanDerWaalsContact C-N 3.29Å; P83-D85 PolarHBondContact O-N 3.17Å; D85-V87 VanDerWaalsContact C-N 3.29Å; D85-V87 PolarHBondContact O-N 2.82Å; D85-S88 PolarHBondContact O-N 2.63Å; D85-S88 VanDerWaalsContact O-N 3.17Å; D85-A89 PolarHBondContact O-N 2.89Å
86	A	97.8	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-36.2	-171.5	0	0	0	0	0	113.5	P83 E84 A89 F90 L108 I111 R112 L115	P83-A86 WeakPolarHBondContact O-CB 3.47Å; P83-A86 PolarHBondContact O-N 3.26Å; E84-A86 VanDerWaalsContact C-N 3.25Å; E84-A86 PolarHBondContact O-N 3.4Å; A86-A89 PolarHBondContact O-N 3.29Å; A86-F90 WeakPolarHBondContact O-CB 3.36Å; A86-F90 PolarHBondContact O-N 2.64Å; A86-L108 HydrophobicContact CB-CD1 4Å; A86-I111 HydrophobicContact CB-CG2 3.61Å; A86-R112 HydrophobicContact CB-CG 3.47Å; A86-R112 VanDerWaalsContact CB-CG 3.47Å; A86-L115 HydrophobicContact CB-CD1 4.3Å
87	V	97.7	Very high	94	Very high	65 Å²	65	46 Å²	46	39%	0.394	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-47.8	178	177.4	0	0	0	0	110.3	D85 A89 F90 E91 L108	D85-V87 VanDerWaalsContact C-N 3.29Å; D85-V87 PolarHBondContact O-N 2.82Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 3.44Å; V87-F90 PolarHBondContact O-N 2.9Å; V87-E91 WeakPolarHBondContact O-CG 3.42Å; V87-E91 PolarHBondContact O-N 3.01Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å
88	S	96.9	Very high	93	Very high	49 Å²	49	45.8 Å²	45.8	34%	0.343	23%	0.228	S	C	.	.	H	α-helix	trans	-63.6	-39.2	178	-57.6	0	0	0	0	112.2	D85 E91 I92	D85-S88 PolarHBondContact O-N 2.63Å; D85-S88 VanDerWaalsContact O-N 3.17Å; S88-E91 PolarHBondContact O-N 2.85Å; S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 2.95Å
89	A	96.7	Very high	91.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-46.2	174.7	0	0	0	0	0	111.6	D85 A86 V87 E91 I92 E93 I111 L131 F134	D85-A89 PolarHBondContact O-N 2.89Å; A86-A89 PolarHBondContact O-N 3.29Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 3.44Å; A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 2.86Å; A89-I92 PolarHBondContact O-N 2.81Å; A89-E93 PolarHBondContact O-N 2.71Å; A89-I111 HydrophobicContact CB-CD1 4.33Å; A89-I111 HydrophobicContact CB-CG2 4.21Å; A89-L131 HydrophobicContact CB-CD2 4.11Å; A89-F134 HydrophobicContact CB-CD1 4.19Å; A89-F134 HydrophobicContact CB-CD2 4.37Å; A89-F134 HydrophobicContact CB-CE1 3.95Å; A89-F134 HydrophobicContact CB-CE2 4.12Å; A89-F134 HydrophobicContact CB-CG 4.4Å; A89-F134 HydrophobicContact CB-CZ 3.92Å; A89-F134 WeakPolarHBondContact O-CE1 3.36Å
90	F	96	Very high	90.2	Very high	39 Å²	39	45.2 Å²	45.2	17%	0.171	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-36.8	177.7	-177.9	-114.6	0	0	0	112.7	A86 V87 I92 E93 R94 Y107 L108 I111	A86-F90 WeakPolarHBondContact O-CB 3.36Å; A86-F90 PolarHBondContact O-N 2.64Å; V87-F90 PolarHBondContact O-N 2.9Å; F90-I92 PolarHBondContact O-N 3.22Å; F90-E93 PolarHBondContact O-N 2.89Å; F90-R94 WeakPolarHBondContact O-CB 3.42Å; F90-R94 PolarHBondContact O-N 2.99Å; F90-Y107 HydrophobicContact CE2-CD1 4.04Å; F90-Y107 HydrophobicContact CZ-CD1 4.31Å; F90-L108 HydrophobicContact CB-CB 4.49Å; F90-L108 HydrophobicContact CB-CD1 4.15Å; F90-L108 HydrophobicContact CD1-CB 4.29Å; F90-L108 HydrophobicContact CD2-CB 4.4Å; F90-L108 HydrophobicContact CG-CB 4.13Å; F90-I111 HydrophobicContact CB-CD1 3.89Å; F90-I111 HydrophobicContact CD2-CD1 4.29Å
91	E	94.6	Very high	88.8	Confident	97 Å²	97	44.7 Å²	44.7	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-42	175.8	-74.8	-178	158.1	0	0	112.4	V87 S88 A89 E95	V87-E91 WeakPolarHBondContact O-CG 3.42Å; V87-E91 PolarHBondContact O-N 3.01Å; S88-E91 PolarHBondContact O-N 2.85Å; A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 2.86Å; E91-E95 PolarHBondContact O-N 3.01Å; E91-E95 VanDerWaalsContact O-N 3.13Å
92	I	93.3	Very high	87.8	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-43.3	174.5	-65.8	168	0	0	0	110.4	S88 A89 F90 E95 A96 L131 F134 A166 H168	S88-I92 WeakPolarHBondContact O-CG1 3.41Å; S88-I92 PolarHBondContact O-N 2.95Å; A89-I92 PolarHBondContact O-N 2.81Å; F90-I92 PolarHBondContact O-N 3.22Å; I92-E95 PolarHBondContact O-N 2.82Å; I92-A96 WeakPolarHBondContact O-CB 3.3Å; I92-A96 PolarHBondContact O-N 3.45Å; I92-L131 HydrophobicContact CD1-CB 4.43Å; I92-L131 HydrophobicContact CD1-CD2 4.13Å; I92-L131 HydrophobicContact CD1-CG 3.98Å; I92-L131 WeakPolarHBondContact CD1-O 3.36Å; I92-F134 HydrophobicContact CB-CE1 3.93Å; I92-F134 HydrophobicContact CD1-CD1 4.22Å; I92-F134 HydrophobicContact CD1-CE1 4.45Å; I92-F134 HydrophobicContact CG2-CD1 4.36Å; I92-F134 HydrophobicContact CG2-CE1 3.88Å; I92-A166 HydrophobicContact CG2-CB 3.82Å; I92-H168 HydrophobicContact CD1-CB 4.29Å; I92-H168 HydrophobicContact CG1-CB 4.18Å
93	E	89.9	Confident	86.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-48	175.9	-75.3	-143.3	-164.5	0	0	112.4	A89 F90 E95 A96 F97 P105 L106 F134 V164	A89-E93 PolarHBondContact O-N 2.71Å; F90-E93 PolarHBondContact O-N 2.89Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.94Å; E93-A96 PolarHBondContact O-N 3.5Å; E93-A96 VanDerWaalsContact O-N 3.15Å; E93-F97 HydrophobicContact CB-CD2 4.32Å; E93-F97 WeakPolarHBondContact O-CD2 3.43Å; E93-F97 PolarHBondContact O-N 3.19Å; E93-P105 VanDerWaalsContact OE2-CD 3.26Å; E93-P105 WeakPolarHBondContact OE2-CD 3.26Å; E93-L106 PolarHBondContact OE2-N 3.46Å; E93-F134 HydrophobicContact CG-CE1 4.36Å; E93-F134 HydrophobicContact CG-CZ 3.6Å; E93-V164 HydrophobicContact CG-CG2 4.36Å; E93-V164 WeakPolarHBondContact OE1-CG1 3.36Å; E93-V164 WeakPolarHBondContact OE1-CG2 3.3Å
94	R	88.4	Confident	86	Confident	122 Å²	122	45.2 Å²	45.2	46%	0.46	25%	0.248	S	C	.	.	I	π-helix	trans	-57.9	-44.8	-179.2	177.7	-177.7	69.3	-168.7	-4.1	110.7	F90 I98	F90-R94 WeakPolarHBondContact O-CB 3.42Å; F90-R94 PolarHBondContact O-N 2.99Å; R94-I98 HydrophobicContact CB-CD1 4.22Å; R94-I98 HydrophobicContact CG-CB 4.38Å; R94-I98 HydrophobicContact CG-CD1 3.84Å; R94-I98 WeakPolarHBondContact O-CB 3.34Å; R94-I98 PolarHBondContact O-N 3.3Å
95	E	85.9	Confident	85.2	Confident	69 Å²	69	40.7 Å²	40.7	32%	0.322	23%	0.232	S	C	.	.	I	π-helix	trans	-65.4	-44.1	176.8	-169	-79	159.7	0	0	111.6	E91 I92 E93 S99 C169 R172	E91-E95 PolarHBondContact O-N 3.01Å; E91-E95 VanDerWaalsContact O-N 3.13Å; I92-E95 PolarHBondContact O-N 2.82Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.94Å; E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.49Å; E95-S99 PolarHBondContact O-OG 3.31Å; E95-C169 WeakPolarHBondContact OE1-CB 3.45Å; E95-C169 WeakPolarHBondContact OE2-CB 3.46Å; E95-R172 IonicContact OE2-CZ 3.73Å; E95-R172 IonicContact OE2-NH1 3.24Å; E95-R172 IonicContact OE2-NH2 3.65Å; E95-R172 PolarHBondContact OE2-NH2 3.48Å
96	A	79.6	Confident	84.7	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	23%	0.229	C	C	.	.	I	π-helix	trans	-70.2	-43.5	-175.6	0	0	0	0	0	113.8	V20 I92 E93	V20-A96 HydrophobicContact CG1-CB 4.37Å; V20-A96 VanDerWaalsContact CG2-O 3.31Å; V20-A96 WeakPolarHBondContact CG2-O 3.38Å; I92-A96 WeakPolarHBondContact O-CB 3.3Å; I92-A96 PolarHBondContact O-N 3.45Å; E93-A96 PolarHBondContact O-N 3.5Å; E93-A96 VanDerWaalsContact O-N 3.15Å
97	F	75.8	Confident	84.4	Confident	11 Å²	11	45.4 Å²	45.4	5%	0.048	25%	0.249	C	C	.	.	I	π-helix	trans	-111.7	-43.2	-167.2	-63.2	-85.4	0	0	0	113.4	W17 V20 E93 S99 V100 L101 V103 P105 V164 A166	W17-F97 AromaticContact CH2-CD1 3.82Å; W17-F97 HydrophobicContact CH2-CD1 3.82Å; W17-F97 AromaticContact CH2-CE1 3.56Å; W17-F97 HydrophobicContact CH2-CE1 3.56Å; W17-F97 HydrophobicContact CZ3-CD1 4.09Å; W17-F97 AromaticContact CZ3-CE1 3.54Å; W17-F97 HydrophobicContact CZ3-CE1 3.54Å; V20-F97 HydrophobicContact CG1-CE1 4.07Å; V20-F97 HydrophobicContact CG1-CZ 4.15Å; E93-F97 HydrophobicContact CB-CD2 4.32Å; E93-F97 WeakPolarHBondContact O-CD2 3.43Å; E93-F97 PolarHBondContact O-N 3.19Å; F97-S99 VanDerWaalsContact C-N 3.3Å; F97-S99 PolarHBondContact O-N 3.19Å; F97-V100 CarbonylContact O-C 3.52Å; F97-V100 PolarHBondContact O-N 2.95Å; F97-L101 HydrophobicContact CD1-CD1 3.97Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-V103 WeakPolarHBondContact CB-O 3.35Å; F97-P105 HydrophobicContact CD1-CG 3.81Å; F97-P105 HydrophobicContact CD2-CG 4.01Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 4.04Å; F97-P105 VanDerWaalsContact CG-CD 3.47Å; F97-P105 HydrophobicContact CG-CG 3.91Å; F97-P105 HydrophobicContact CZ-CG 3.95Å; F97-V164 HydrophobicContact CE2-CG2 3.88Å; F97-V164 HydrophobicContact CZ-CG2 4.11Å; F97-A166 HydrophobicContact CE2-CB 4.09Å
98	I	76.6	Confident	84.3	Confident	62 Å²	62	44.3 Å²	44.3	32%	0.318	24%	0.241	S	C	.	.	I	π-helix	trans	-64.5	-38.1	-179.6	-74.9	166.9	0	0	0	111.1	R94 V100 G102 C104	R94-I98 HydrophobicContact CB-CD1 4.22Å; R94-I98 HydrophobicContact CG-CB 4.38Å; R94-I98 HydrophobicContact CG-CD1 3.84Å; R94-I98 WeakPolarHBondContact O-CB 3.34Å; R94-I98 PolarHBondContact O-N 3.3Å; I98-V100 PolarHBondContact O-N 3.26Å; I98-G102 VanDerWaalsContact O-CA 3.31Å; I98-G102 WeakPolarHBondContact O-CA 3.27Å; I98-G102 PolarHBondContact O-N 3.5Å; I98-C104 WeakPolarHBondContact CD1-SG 3.26Å; I98-C104 VanDerWaalsContact CG1-SG 3.53Å
99	S	68.6	Low	84.3	Confident	88 Å²	88	47.6 Å²	47.6	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-60.4	-17	175.9	-48.4	0	0	0	0	113.8	E95 F97	E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.49Å; E95-S99 PolarHBondContact O-OG 3.31Å; F97-S99 VanDerWaalsContact C-N 3.3Å; F97-S99 PolarHBondContact O-N 3.19Å
100	V	67.5	Low	84.2	Confident	26 Å²	26	50.7 Å²	50.7	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-118.1	-49.1	-168.6	167	0	0	0	0	112	L16 V20 F97 I98	L16-V100 HydrophobicContact CB-CG1 4.12Å; L16-V100 HydrophobicContact CD1-CG2 4.2Å; L16-V100 HydrophobicContact CD2-CB 4.09Å; L16-V100 HydrophobicContact CD2-CG1 3.55Å; L16-V100 HydrophobicContact CD2-CG2 4.31Å; L16-V100 HydrophobicContact CG-CB 4.03Å; L16-V100 HydrophobicContact CG-CG1 3.44Å; L16-V100 VanDerWaalsContact CG-CG1 3.44Å; L16-V100 HydrophobicContact CG-CG2 3.82Å; V20-V100 HydrophobicContact CG2-CB 4.43Å; V20-V100 HydrophobicContact CG2-CG1 4.24Å; V20-V100 HydrophobicContact CG2-CG2 4.03Å; F97-V100 CarbonylContact O-C 3.52Å; F97-V100 PolarHBondContact O-N 2.95Å; I98-V100 PolarHBondContact O-N 3.26Å
101	L	68.6	Low	84.2	Confident	36 Å²	36	48.9 Å²	48.9	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-107.2	-12.3	-174.8	-53.2	179.7	0	0	0	113.3	W17 F97 V103 L227	W17-L101 HydrophobicContact CH2-CD1 3.76Å; W17-L101 HydrophobicContact CZ2-CD1 3.41Å; W17-L101 VanDerWaalsContact CZ2-CD1 3.41Å; W17-L101 HydrophobicContact CZ2-CD2 3.68Å; W17-L101 HydrophobicContact CZ2-CG 3.97Å; F97-L101 HydrophobicContact CD1-CD1 3.97Å; F97-L101 PolarHBondContact O-N 3.42Å; L101-V103 HydrophobicContact CB-CG2 4.07Å; L101-V103 PolarHBondContact O-N 3.16Å; L101-L227 HydrophobicContact CB-CD1 4.48Å; L101-L227 HydrophobicContact CD1-CD1 4.11Å; L101-L227 HydrophobicContact CD2-CD1 3.86Å; L101-L227 HydrophobicContact CG-CD1 4.36Å
102	G	77.3	Confident	84.4	Confident	52 Å²	52	49 Å²	49	54%	0.536	26%	0.257	S	S	.	.	S	Bend	trans	71.7	0.5	-172	0	0	0	0	0	114.8	I98	I98-G102 VanDerWaalsContact O-CA 3.31Å; I98-G102 WeakPolarHBondContact O-CA 3.27Å; I98-G102 PolarHBondContact O-N 3.5Å
103	V	79.1	Confident	84.6	Confident	50 Å²	50	52.8 Å²	52.8	30%	0.303	28%	0.275	S	S	.	.	S	Bend	trans	-139.7	148.4	-179.6	-62.8	0	0	0	0	110.9	F97 L101 V224	F97-V103 WeakPolarHBondContact CB-O 3.35Å; L101-V103 HydrophobicContact CB-CG2 4.07Å; L101-V103 PolarHBondContact O-N 3.16Å; V103-V224 HydrophobicContact CG2-CG1 3.84Å
104	C	79.6	Confident	85	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.061	28%	0.275	C	S	.	.			trans	-92.7	141.8	170.5	-80.1	0	0	0	0	110.7	I98 L106	I98-C104 WeakPolarHBondContact CD1-SG 3.26Å; I98-C104 VanDerWaalsContact CG1-SG 3.53Å; C104-L106 VanDerWaalsContact C-N 3.29Å; C104-L106 WeakPolarHBondContact CB-O 3.21Å; C104-L106 PolarHBondContact O-N 3.11Å
105	P	81.3	Confident	85.5	Confident	57 Å²	57	47.1 Å²	47.1	37%	0.37	25%	0.254	S	S	.	.	S	Bend	trans	-53.3	-44	164.5	-27.5	34.1	0	0	0	113.1	E93 F97 V164	E93-P105 VanDerWaalsContact OE2-CD 3.26Å; E93-P105 WeakPolarHBondContact OE2-CD 3.26Å; F97-P105 HydrophobicContact CD1-CG 3.81Å; F97-P105 HydrophobicContact CD2-CG 4.01Å; F97-P105 HydrophobicContact CE1-CG 3.81Å; F97-P105 HydrophobicContact CE2-CG 4.04Å; F97-P105 VanDerWaalsContact CG-CD 3.47Å; F97-P105 HydrophobicContact CG-CG 3.91Å; F97-P105 HydrophobicContact CZ-CG 3.95Å; P105-V164 HydrophobicContact CB-CB 4.4Å; P105-V164 HydrophobicContact CB-CG2 4.48Å; P105-V164 HydrophobicContact CG-CG2 4.47Å
106	L	87.8	Confident	86.1	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	27%	0.266	C	S	.	.	S	Bend	trans	-132.1	133.1	175.3	-59.8	175.5	0	0	0	110.6	E93 C104 E110 I111 F114 I136 H163 V164	E93-L106 PolarHBondContact OE2-N 3.46Å; C104-L106 VanDerWaalsContact C-N 3.29Å; C104-L106 WeakPolarHBondContact CB-O 3.21Å; C104-L106 PolarHBondContact O-N 3.11Å; L106-E110 HydrophobicContact CB-CB 4.35Å; L106-E110 HydrophobicContact CD2-CB 3.98Å; L106-I111 HydrophobicContact CB-CD1 4.3Å; L106-I111 HydrophobicContact CB-CG1 3.66Å; L106-I111 HydrophobicContact CD1-CG1 4.2Å; L106-F114 HydrophobicContact CD1-CD2 4.16Å; L106-F114 HydrophobicContact CD1-CE2 4.43Å; L106-F114 HydrophobicContact CD2-CD2 4.27Å; L106-F114 HydrophobicContact CD2-CE2 3.79Å; L106-I136 HydrophobicContact CD1-CB 4.31Å; L106-I136 HydrophobicContact CD1-CG2 4.04Å; L106-H163 HydrophobicContact CD1-CB 3.86Å; L106-H163 HydrophobicContact CD2-CB 4.26Å; L106-H163 HydrophobicContact CG-CB 4.25Å; L106-V164 HydrophobicContact CD1-CG1 3.86Å
107	Y	91.9	Very high	86.9	Confident	110 Å²	110	52.5 Å²	52.5	43%	0.431	29%	0.288	S	S	.	.			trans	-86.3	173.4	167.9	-62	-98.3	0	0	0	110.4	F90 D109 E110 I111	F90-Y107 HydrophobicContact CE2-CD1 4.04Å; F90-Y107 HydrophobicContact CZ-CD1 4.31Å; Y107-D109 PolarHBondContact O-N 2.88Å; Y107-E110 WeakPolarHBondContact CA-OE2 3.26Å; Y107-E110 WeakPolarHBondContact CB-OE2 3.4Å; Y107-E110 PolarHBondContact N-OE2 2.85Å; Y107-E110 PolarHBondContact O-N 3Å; Y107-E110 VanDerWaalsContact O-OE2 3.1Å; Y107-I111 WeakPolarHBondContact O-CG1 3.38Å; Y107-I111 PolarHBondContact O-N 3.3Å
108	L	95.4	Very high	87.9	Confident	42 Å²	42	52 Å²	52	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-54.9	-38.1	-173.8	179.9	60.5	0	0	0	113	A86 V87 F90 R112	A86-L108 HydrophobicContact CB-CD1 4Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å; F90-L108 HydrophobicContact CB-CB 4.49Å; F90-L108 HydrophobicContact CB-CD1 4.15Å; F90-L108 HydrophobicContact CD1-CB 4.29Å; F90-L108 HydrophobicContact CD2-CB 4.4Å; F90-L108 HydrophobicContact CG-CB 4.13Å; L108-R112 WeakPolarHBondContact O-CB 3.24Å; L108-R112 WeakPolarHBondContact O-CG 3.4Å; L108-R112 PolarHBondContact O-N 3.45Å
109	D	96.2	Very high	88.9	Confident	118 Å²	118	51 Å²	51	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-73.7	-37.9	-178	-68.5	-26.6	0	0	0	111.8	Y107 R112 H113	Y107-D109 PolarHBondContact O-N 2.88Å; D109-R112 PolarHBondContact O-N 3.13Å; D109-R112 IonicContact OD1-NH1 2.58Å; D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.47Å; D109-H113 PolarHBondContact O-N 2.94Å
110	E	94.9	Very high	90.3	Very high	65 Å²	65	50.7 Å²	50.7	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-68.9	-38.8	173.8	-59.9	86.4	168.3	0	0	111.7	L106 Y107 H113 F114	L106-E110 HydrophobicContact CB-CB 4.35Å; L106-E110 HydrophobicContact CD2-CB 3.98Å; Y107-E110 WeakPolarHBondContact CA-OE2 3.26Å; Y107-E110 WeakPolarHBondContact CB-OE2 3.4Å; Y107-E110 PolarHBondContact N-OE2 2.85Å; Y107-E110 PolarHBondContact O-N 3Å; Y107-E110 VanDerWaalsContact O-OE2 3.1Å; E110-H113 WeakPolarHBondContact O-CB 3.37Å; E110-H113 PolarHBondContact O-N 3.18Å; E110-F114 VanDerWaalsContact O-CD2 3.23Å; E110-F114 WeakPolarHBondContact O-CD2 3.37Å; E110-F114 PolarHBondContact O-N 3.15Å
111	I	96.8	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-53.5	172.6	-69.6	172.2	0	0	0	109.4	A86 A89 F90 L106 Y107 H113 F114 L115 I136	A86-I111 HydrophobicContact CB-CG2 3.61Å; A89-I111 HydrophobicContact CB-CD1 4.33Å; A89-I111 HydrophobicContact CB-CG2 4.21Å; F90-I111 HydrophobicContact CB-CD1 3.89Å; F90-I111 HydrophobicContact CD2-CD1 4.29Å; L106-I111 HydrophobicContact CB-CD1 4.3Å; L106-I111 HydrophobicContact CB-CG1 3.66Å; L106-I111 HydrophobicContact CD1-CG1 4.2Å; Y107-I111 WeakPolarHBondContact O-CG1 3.38Å; Y107-I111 PolarHBondContact O-N 3.3Å; I111-H113 PolarHBondContact O-N 3.27Å; I111-F114 PolarHBondContact O-N 3.43Å; I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.08Å; I111-L115 VanDerWaalsContact O-CG 3.26Å; I111-L115 WeakPolarHBondContact O-CG 3.26Å; I111-L115 PolarHBondContact O-N 3.19Å; I111-I136 HydrophobicContact CB-CD1 4.37Å; I111-I136 HydrophobicContact CG1-CD1 4.13Å; I111-I136 HydrophobicContact CG2-CD1 3.77Å
112	R	98	Very high	93.1	Very high	99 Å²	99	47.8 Å²	47.8	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-39.7	177.5	-77.1	176.4	174.5	153.8	-2.4	112.1	A86 L108 D109 L115 T116	A86-R112 HydrophobicContact CB-CG 3.47Å; A86-R112 VanDerWaalsContact CB-CG 3.47Å; L108-R112 WeakPolarHBondContact O-CB 3.24Å; L108-R112 WeakPolarHBondContact O-CG 3.4Å; L108-R112 PolarHBondContact O-N 3.45Å; D109-R112 PolarHBondContact O-N 3.13Å; D109-R112 IonicContact OD1-NH1 2.58Å; R112-L115 PolarHBondContact O-N 3.36Å; R112-T116 WeakPolarHBondContact O-CB 3.45Å; R112-T116 PolarHBondContact O-N 3.46Å; R112-T116 PolarHBondContact O-OG1 2.74Å
113	H	97.5	Very high	94.2	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.398	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-53.1	178.3	-178.9	73.2	0	0	0	111.6	D109 E110 I111 L115 T116 L117	D109-H113 VanDerWaalsContact O-CB 3.25Å; D109-H113 WeakPolarHBondContact O-CB 3.47Å; D109-H113 PolarHBondContact O-N 2.94Å; E110-H113 WeakPolarHBondContact O-CB 3.37Å; E110-H113 PolarHBondContact O-N 3.18Å; I111-H113 PolarHBondContact O-N 3.27Å; H113-L115 PolarHBondContact O-N 2.66Å; H113-T116 PolarHBondContact O-N 2.97Å; H113-L117 WeakPolarHBondContact CE1-CD1 3.33Å; H113-L117 WeakPolarHBondContact NE2-CD1 3.19Å; H113-L117 WeakPolarHBondContact O-CG 3.34Å; H113-L117 PolarHBondContact O-N 2.84Å
114	F	98.3	Very high	95.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-39.1	179	-70.4	-55.7	0	0	0	112.9	L106 E110 I111 T116 L117 C118 I136 H153 H163	L106-F114 HydrophobicContact CD1-CD2 4.16Å; L106-F114 HydrophobicContact CD1-CE2 4.43Å; L106-F114 HydrophobicContact CD2-CD2 4.27Å; L106-F114 HydrophobicContact CD2-CE2 3.79Å; E110-F114 VanDerWaalsContact O-CD2 3.23Å; E110-F114 WeakPolarHBondContact O-CD2 3.37Å; E110-F114 PolarHBondContact O-N 3.15Å; I111-F114 PolarHBondContact O-N 3.43Å; F114-T116 PolarHBondContact O-N 2.98Å; F114-L117 PolarHBondContact O-N 3.33Å; F114-C118 CarbonylContact O-C 3.55Å; F114-C118 PolarHBondContact O-N 3.28Å; F114-I136 HydrophobicContact CB-CG2 3.8Å; F114-I136 HydrophobicContact CD2-CG2 4.19Å; F114-I136 HydrophobicContact CG-CG2 4.25Å; F114-H153 HydrophobicContact CE1-CB 4.46Å; F114-H163 AromaticContact CE1-NE2 3.67Å; F114-H163 AromaticContact CE2-CD2 3.98Å; F114-H163 AromaticContact CE2-CE1 3.78Å; F114-H163 AromaticContact CE2-NE2 3.75Å; F114-H163 AromaticContact CZ-CE1 3.36Å; F114-H163 WeakPolarHBondContact CZ-CE1 3.49Å; F114-H163 AromaticContact CZ-NE2 3.35Å; F114-H163 WeakPolarHBondContact CZ-NE2 3.34Å
115	L	98.4	Very high	96	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-19.1	177.1	-61.9	-173.5	0	0	0	113.1	L81 T82 P83 A86 I111 R112 H113 P119 I136	L81-L115 HydrophobicContact CB-CD1 3.93Å; L81-L115 HydrophobicContact CB-CD2 3.58Å; L81-L115 HydrophobicContact CB-CG 4.4Å; L81-L115 HydrophobicContact CD1-CD1 4.45Å; L81-L115 HydrophobicContact CD1-CD2 4.22Å; T82-L115 VanDerWaalsContact O-CD1 3.27Å; T82-L115 WeakPolarHBondContact O-CD1 3.14Å; P83-L115 HydrophobicContact CG-CB 4.45Å; A86-L115 HydrophobicContact CB-CD1 4.3Å; I111-L115 HydrophobicContact CG2-CD1 3.83Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.08Å; I111-L115 VanDerWaalsContact O-CG 3.26Å; I111-L115 WeakPolarHBondContact O-CG 3.26Å; I111-L115 PolarHBondContact O-N 3.19Å; R112-L115 PolarHBondContact O-N 3.36Å; H113-L115 PolarHBondContact O-N 2.66Å; L115-P119 WeakPolarHBondContact O-CB 3.37Å; L115-I136 HydrophobicContact CD2-CD1 4.26Å; L115-I136 HydrophobicContact CD2-CG1 4.14Å; L115-I136 HydrophobicContact CG-CD1 4.44Å
116	T	98.2	Very high	96.7	Very high	95 Å²	95	41.5 Å²	41.5	58%	0.583	20%	0.203	S	C	*	.	H	α-helix	trans	-85	-41.6	172.2	-56.8	0	0	0	0	111.7	R112 H113 F114	R112-T116 WeakPolarHBondContact O-CB 3.45Å; R112-T116 PolarHBondContact O-N 3.46Å; R112-T116 PolarHBondContact O-OG1 2.74Å; H113-T116 PolarHBondContact O-N 2.97Å; F114-T116 PolarHBondContact O-N 2.98Å
117	L	97.4	Very high	97.1	Very high	88 Å²	88	43.5 Å²	43.5	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-79.7	-43.3	-175.2	-72	-173.3	0	0	0	113.8	H113 F114 H153	H113-L117 WeakPolarHBondContact CE1-CD1 3.33Å; H113-L117 WeakPolarHBondContact NE2-CD1 3.19Å; H113-L117 WeakPolarHBondContact O-CG 3.34Å; H113-L117 PolarHBondContact O-N 2.84Å; F114-L117 PolarHBondContact O-N 3.33Å; L117-H153 HydrophobicContact CD1-CB 4.21Å
118	C	97.4	Very high	97.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.224	C	C	.	.			trans	-146.9	59.7	-171.8	58.6	0	0	0	0	112.2	F114 E120 L121 H153	F114-C118 CarbonylContact O-C 3.55Å; F114-C118 PolarHBondContact O-N 3.28Å; C118-E120 WeakPolarHBondContact CA-OE1 3.5Å; C118-E120 VanDerWaalsContact CA-OE2 3.3Å; C118-E120 WeakPolarHBondContact CA-OE2 3.35Å; C118-E120 VanDerWaalsContact CB-OE1 3.3Å; C118-E120 WeakPolarHBondContact CB-OE1 3.38Å; C118-E120 PolarHBondContact O-N 2.97Å; C118-E120 VanDerWaalsContact O-N 3.16Å; C118-L121 HydrophobicContact CB-CB 4.49Å; C118-L121 HydrophobicContact CB-CD1 3.9Å; C118-L121 HydrophobicContact CB-CG 4.38Å; C118-L121 PolarHBondContact O-N 2.91Å; C118-H153 PolarHBondContact SG-ND1 3.12Å
119	P	97.8	Very high	97.1	Very high	41 Å²	41	45 Å²	45	27%	0.266	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27	178.5	24.1	-33.6	0	0	0	113	L81 L115 L121 S122	L81-P119 WeakPolarHBondContact O-CB 3.35Å; L115-P119 WeakPolarHBondContact O-CB 3.37Å; P119-L121 PolarHBondContact O-N 3.33Å; P119-S122 WeakPolarHBondContact O-CB 3.43Å; P119-S122 PolarHBondContact O-N 2.95Å; P119-S122 PolarHBondContact O-OG 2.82Å
120	E	96.8	Very high	97	Very high	80 Å²	80	43.3 Å²	43.3	37%	0.374	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.9	-13.9	175.2	74	-69.9	165.9	0	0	113.9	C118 S122 H187 Q191	C118-E120 WeakPolarHBondContact CA-OE1 3.5Å; C118-E120 VanDerWaalsContact CA-OE2 3.3Å; C118-E120 WeakPolarHBondContact CA-OE2 3.35Å; C118-E120 VanDerWaalsContact CB-OE1 3.3Å; C118-E120 WeakPolarHBondContact CB-OE1 3.38Å; C118-E120 PolarHBondContact O-N 2.97Å; C118-E120 VanDerWaalsContact O-N 3.16Å; E120-S122 VanDerWaalsContact C-N 3.33Å; E120-H187 PolarHBondContact O-NE2 2.92Å; E120-Q191 PolarHBondContact O-NE2 3.04Å
121	L	97.8	Very high	97.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-99.5	20.2	172.8	-62.3	169.2	0	0	0	112	C118 P119 G137 L139 Y184 L188	C118-L121 HydrophobicContact CB-CB 4.49Å; C118-L121 HydrophobicContact CB-CD1 3.9Å; C118-L121 HydrophobicContact CB-CG 4.38Å; C118-L121 PolarHBondContact O-N 2.91Å; P119-L121 PolarHBondContact O-N 3.33Å; L121-G137 WeakPolarHBondContact CB-O 3.04Å; L121-G137 WeakPolarHBondContact O-CA 3.36Å; L121-G137 PolarHBondContact O-N 2.92Å; L121-L139 HydrophobicContact CD1-CB 4.49Å; L121-L139 HydrophobicContact CD1-CD1 4.49Å; L121-L139 HydrophobicContact CD1-CD2 3.89Å; L121-L139 HydrophobicContact CD1-CG 3.6Å; L121-L139 HydrophobicContact CD2-CD2 4.33Å; L121-Y184 PolarHBondContact O-OH 3.2Å; L121-L188 HydrophobicContact CD2-CD2 3.58Å
122	S	98.4	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.9	172.3	75.6	0	0	0	0	111	L81 P119 E120 I135	L81-S122 WeakPolarHBondContact CB-OG 3.48Å; L81-S122 PolarHBondContact N-OG 3.44Å; P119-S122 WeakPolarHBondContact O-CB 3.43Å; P119-S122 PolarHBondContact O-N 2.95Å; P119-S122 PolarHBondContact O-OG 2.82Å; E120-S122 VanDerWaalsContact C-N 3.33Å; S122-I135 CarbonylContact C-O 3.54Å; S122-I135 VanDerWaalsContact CA-O 3.27Å; S122-I135 WeakPolarHBondContact CA-O 3.45Å
123	L	98.6	Very high	97.1	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	124.4	172.1	-172.7	67.5	0	0	0	110.3	F134 I135 L180 R183 Y184	L123-F134 CarbonylContact O-C 3.57Å; L123-F134 VanDerWaalsContact O-CA 3.26Å; L123-F134 WeakPolarHBondContact O-CA 3.42Å; L123-I135 PolarHBondContact N-O 2.82Å; L123-I135 PolarHBondContact O-N 3.25Å; L123-L180 HydrophobicContact CB-CD1 4.39Å; L123-L180 HydrophobicContact CD2-CD1 3.75Å; L123-L180 HydrophobicContact CG-CD1 3.81Å; L123-R183 HydrophobicContact CD2-CB 3.92Å; L123-Y184 HydrophobicContact CB-CD2 3.73Å; L123-Y184 HydrophobicContact CB-CE2 4.48Å; L123-Y184 HydrophobicContact CD2-CD2 4.4Å
124	G	98.4	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.1	173.6	0	0	0	0	0	112.2	F78 R79 A133	F78-G124 WeakPolarHBondContact CA-O 3.39Å; R79-G124 PolarHBondContact N-O 3.49Å; R79-G124 VanDerWaalsContact N-O 3.17Å; R79-G124 PolarHBondContact O-N 3.45Å; G124-A133 WeakPolarHBondContact CA-O 2.98Å
125	W	98.3	Very high	97.2	Very high	20 Å²	20	32.1 Å²	32.1	8%	0.076	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.5	163.4	-169.7	-13.1	0	0	0	108.5	S76 E77 F78 E127 V132 A133 R176 I179 L180	S76-W125 PolarHBondContact OG-NE1 3.35Å; E77-W125 WeakPolarHBondContact O-CA 3.27Å; F78-W125 HydrophobicContact CD1-CB 4.07Å; F78-W125 HydrophobicContact CD1-CD2 4.33Å; F78-W125 HydrophobicContact CD1-CG 4.07Å; F78-W125 HydrophobicContact CE1-CB 3.87Å; F78-W125 AromaticContact CE1-CD2 3.35Å; F78-W125 HydrophobicContact CE1-CD2 3.35Å; F78-W125 AromaticContact CE1-CE2 3.83Å; F78-W125 AromaticContact CE1-CE3 3.51Å; F78-W125 HydrophobicContact CE1-CE3 3.51Å; F78-W125 AromaticContact CE1-CG 3.54Å; F78-W125 HydrophobicContact CE1-CG 3.54Å; F78-W125 HydrophobicContact CE1-CZ2 4.41Å; F78-W125 HydrophobicContact CE1-CZ3 4.1Å; F78-W125 HydrophobicContact CE2-CD2 4.36Å; F78-W125 AromaticContact CE2-CE2 3.98Å; F78-W125 HydrophobicContact CE2-CZ2 4.25Å; F78-W125 AromaticContact CZ-CD2 3.37Å; F78-W125 HydrophobicContact CZ-CD2 3.37Å; F78-W125 AromaticContact CZ-CE2 3.31Å; F78-W125 AromaticContact CZ-CE3 3.65Å; F78-W125 HydrophobicContact CZ-CE3 3.65Å; F78-W125 AromaticContact CZ-CG 3.86Å; F78-W125 HydrophobicContact CZ-CG 3.86Å; F78-W125 AromaticContact CZ-CH2 3.87Å; F78-W125 HydrophobicContact CZ-CH2 3.87Å; F78-W125 AromaticContact CZ-CZ2 3.58Å; F78-W125 HydrophobicContact CZ-CZ2 3.58Å; F78-W125 AromaticContact CZ-CZ3 3.86Å; F78-W125 HydrophobicContact CZ-CZ3 3.86Å; F78-W125 AromaticContact CZ-NE1 3.8Å; W125-E127 PolarHBondContact NE1-OE1 3.07Å; W125-V132 HydrophobicContact CB-CG2 4.2Å; W125-V132 HydrophobicContact CG-CG2 4.06Å; W125-V132 VanDerWaalsContact O-CG2 3.26Å; W125-V132 WeakPolarHBondContact O-CG2 3.35Å; W125-V132 PolarHBondContact O-N 3.08Å; W125-A133 HydrophobicContact CB-CB 4.28Å; W125-A133 PolarHBondContact N-O 3.38Å; W125-A133 PolarHBondContact O-N 3.39Å; W125-R176 HydrophobicContact CE3-CB 4.13Å; W125-R176 HydrophobicContact CE3-CG 4.46Å; W125-R176 VanDerWaalsContact CH2-CD 3.44Å; W125-R176 HydrophobicContact CZ3-CB 4.01Å; W125-R176 HydrophobicContact CZ3-CG 4.23Å; W125-R176 VanDerWaalsContact NE1-NH1 3.17Å; W125-I179 HydrophobicContact CH2-CB 4.27Å; W125-I179 HydrophobicContact CH2-CD1 3.99Å; W125-I179 HydrophobicContact CH2-CG2 3.87Å; W125-I179 HydrophobicContact CZ3-CB 3.79Å; W125-I179 HydrophobicContact CZ3-CD1 4.24Å; W125-I179 HydrophobicContact CZ3-CG2 3.62Å; W125-L180 HydrophobicContact CB-CD1 4.37Å
126	F	97.6	Very high	97.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.9	177	-59.7	-98.5	0	0	0	111.3	S76 E77 R79 L81 C130 L131	S76-F126 CarbonylContact C-O 3.59Å; S76-F126 WeakPolarHBondContact CA-O 3.33Å; E77-F126 HydrophobicContact CB-CB 4.34Å; E77-F126 PolarHBondContact N-O 2.98Å; E77-F126 PolarHBondContact O-N 2.94Å; R79-F126 HydrophobicContact CG-CD2 3.83Å; R79-F126 HydrophobicContact CG-CE2 3.5Å; R79-F126 VanDerWaalsContact CG-CE2 3.5Å; R79-F126 HydrophobicContact CG-CZ 4.38Å; L81-F126 HydrophobicContact CD2-CE2 4.05Å; L81-F126 HydrophobicContact CD2-CZ 3.72Å; F126-C130 CarbonylContact C-O 3.51Å; F126-C130 WeakPolarHBondContact CA-O 3.45Å; F126-L131 HydrophobicContact CD1-CB 4.07Å; F126-L131 HydrophobicContact CD1-CD1 4.27Å; F126-L131 HydrophobicContact CD2-CD1 4.36Å; F126-L131 HydrophobicContact CE1-CB 3.75Å; F126-L131 HydrophobicContact CE1-CD1 3.79Å; F126-L131 HydrophobicContact CE1-CG 4.34Å; F126-L131 HydrophobicContact CE2-CD1 3.88Å; F126-L131 HydrophobicContact CZ-CB 4.38Å; F126-L131 HydrophobicContact CZ-CD1 3.57Å; F126-L131 HydrophobicContact CZ-CG 4.5Å
127	E	95.5	Very high	97.1	Very high	46 Å²	46	27.6 Å²	27.6	22%	0.215	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.7	168.9	-66.1	-88.4	127.5	0	0	107.4	A75 S76 W125 G129 C130 V132 R176	A75-E127 WeakPolarHBondContact O-CA 3.42Å; S76-E127 WeakPolarHBondContact CB-OE1 3.49Å; S76-E127 PolarHBondContact OG-OE1 3.45Å; W125-E127 PolarHBondContact NE1-OE1 3.07Å; E127-G129 PolarHBondContact O-N 3.39Å; E127-G129 VanDerWaalsContact O-N 3.1Å; E127-C130 PolarHBondContact N-O 2.96Å; E127-C130 WeakPolarHBondContact O-CB 3.35Å; E127-C130 PolarHBondContact O-N 3.22Å; E127-V132 HydrophobicContact CB-CG1 4.03Å; E127-V132 HydrophobicContact CG-CG1 4.03Å; E127-V132 HydrophobicContact CG-CG2 3.83Å; E127-R176 IonicContact OE1-CZ 3.69Å; E127-R176 IonicContact OE1-NH1 3.97Å; E127-R176 PolarHBondContact OE1-NH1 3.03Å; E127-R176 IonicContact OE1-NH2 2.68Å; E127-R176 PolarHBondContact OE1-NH2 2.96Å; E127-R176 IonicContact OE2-CZ 3.41Å; E127-R176 IonicContact OE2-NH1 3.54Å; E127-R176 IonicContact OE2-NH2 2.74Å; E127-R176 PolarHBondContact OE2-NH2 3.44Å
128	E	93.5	Very high	97.2	Very high	146 Å²	146	23.4 Å²	23.4	68%	0.682	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	34.6	-177.4	-57.6	-180	175.9	0	0	113.4	L73 P74 A75 C130	L73-E128 WeakPolarHBondContact CD1-O 3.41Å; P74-E128 WeakPolarHBondContact O-CA 3.37Å; P74-E128 PolarHBondContact O-N 3.25Å; A75-E128 PolarHBondContact O-N 3.02Å; A75-E128 VanDerWaalsContact O-N 3.1Å; E128-C130 VanDerWaalsContact C-N 3.32Å; E128-C130 PolarHBondContact O-N 3.37Å
129	G	92.8	Very high	97.2	Very high	37 Å²	37	24 Å²	24	38%	0.381	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-5.1	-177.9	0	0	0	0	0	115.5	E127	E127-G129 PolarHBondContact O-N 3.39Å; E127-G129 VanDerWaalsContact O-N 3.1Å
130	C	95.4	Very high	97.2	Very high	83 Å²	83	22.1 Å²	22.1	56%	0.561	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	131	178.1	-66.4	0	0	0	0	111.3	F126 E127 E128 V132	F126-C130 CarbonylContact C-O 3.51Å; F126-C130 WeakPolarHBondContact CA-O 3.45Å; E127-C130 PolarHBondContact N-O 2.96Å; E127-C130 WeakPolarHBondContact O-CB 3.35Å; E127-C130 PolarHBondContact O-N 3.22Å; E128-C130 VanDerWaalsContact C-N 3.32Å; E128-C130 PolarHBondContact O-N 3.37Å; C130-V132 PolarHBondContact O-N 3.36Å
131	L	97.6	Very high	97.2	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.073	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.4	174.4	-174.7	65.6	0	0	0	110.2	L81 A89 I92 F126 A133 F134	L81-L131 HydrophobicContact CD2-CD1 3.86Å; L81-L131 HydrophobicContact CD2-CD2 4.31Å; A89-L131 HydrophobicContact CB-CD2 4.11Å; I92-L131 HydrophobicContact CD1-CB 4.43Å; I92-L131 HydrophobicContact CD1-CD2 4.13Å; I92-L131 HydrophobicContact CD1-CG 3.98Å; I92-L131 WeakPolarHBondContact CD1-O 3.36Å; F126-L131 HydrophobicContact CD1-CB 4.07Å; F126-L131 HydrophobicContact CD1-CD1 4.27Å; F126-L131 HydrophobicContact CD2-CD1 4.36Å; F126-L131 HydrophobicContact CE1-CB 3.75Å; F126-L131 HydrophobicContact CE1-CD1 3.79Å; F126-L131 HydrophobicContact CE1-CG 4.34Å; F126-L131 HydrophobicContact CE2-CD1 3.88Å; F126-L131 HydrophobicContact CZ-CB 4.38Å; F126-L131 HydrophobicContact CZ-CD1 3.57Å; F126-L131 HydrophobicContact CZ-CG 4.5Å; L131-A133 WeakPolarHBondContact CD1-O 3.34Å; L131-F134 HydrophobicContact CD1-CB 4.17Å; L131-F134 HydrophobicContact CD2-CB 4.26Å; L131-F134 HydrophobicContact CD2-CD1 4.09Å; L131-F134 HydrophobicContact CD2-CG 4.4Å
132	V	96.8	Very high	97.2	Very high	4 Å²	4	26 Å²	26	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-20.9	-179.6	-61.2	0	0	0	0	113.7	W125 E127 C130 H168 F171	W125-V132 HydrophobicContact CB-CG2 4.2Å; W125-V132 HydrophobicContact CG-CG2 4.06Å; W125-V132 VanDerWaalsContact O-CG2 3.26Å; W125-V132 WeakPolarHBondContact O-CG2 3.35Å; W125-V132 PolarHBondContact O-N 3.08Å; E127-V132 HydrophobicContact CB-CG1 4.03Å; E127-V132 HydrophobicContact CG-CG1 4.03Å; E127-V132 HydrophobicContact CG-CG2 3.83Å; C130-V132 PolarHBondContact O-N 3.36Å; V132-H168 VanDerWaalsContact O-CB 3.24Å; V132-H168 WeakPolarHBondContact O-CB 3.23Å; V132-H168 PolarHBondContact O-N 3.12Å; V132-F171 HydrophobicContact CB-CD2 3.84Å; V132-F171 HydrophobicContact CB-CE2 4.12Å; V132-F171 HydrophobicContact CB-CG 4.09Å; V132-F171 HydrophobicContact CG1-CD1 4.49Å; V132-F171 HydrophobicContact CG1-CD2 3.73Å; V132-F171 HydrophobicContact CG1-CE1 4.26Å; V132-F171 HydrophobicContact CG1-CE2 3.46Å; V132-F171 VanDerWaalsContact CG1-CE2 3.46Å; V132-F171 HydrophobicContact CG1-CG 4.24Å; V132-F171 HydrophobicContact CG1-CZ 3.74Å
133	A	97.2	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.3	173.9	0	0	0	0	0	109.8	G124 W125 L131 A166 V167 L180	G124-A133 WeakPolarHBondContact CA-O 2.98Å; W125-A133 HydrophobicContact CB-CB 4.28Å; W125-A133 PolarHBondContact N-O 3.38Å; W125-A133 PolarHBondContact O-N 3.39Å; L131-A133 WeakPolarHBondContact CD1-O 3.34Å; A133-A166 CarbonylContact C-O 3.59Å; A133-A166 VanDerWaalsContact CA-O 3.26Å; A133-A166 WeakPolarHBondContact CA-O 3.33Å; A133-V167 HydrophobicContact CB-CB 4.33Å; A133-V167 HydrophobicContact CB-CG1 4.29Å; A133-V167 HydrophobicContact CB-CG2 3.94Å; A133-L180 HydrophobicContact CB-CD2 3.72Å
134	F	98.1	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161	178.1	72.7	-86.5	0	0	0	113.4	L81 A89 I92 E93 L123 L131 I136 V164 A166	L81-F134 HydrophobicContact CD1-CB 3.83Å; L81-F134 HydrophobicContact CD1-CD2 4.1Å; L81-F134 HydrophobicContact CD1-CG 4.23Å; A89-F134 HydrophobicContact CB-CD1 4.19Å; A89-F134 HydrophobicContact CB-CD2 4.37Å; A89-F134 HydrophobicContact CB-CE1 3.95Å; A89-F134 HydrophobicContact CB-CE2 4.12Å; A89-F134 HydrophobicContact CB-CG 4.4Å; A89-F134 HydrophobicContact CB-CZ 3.92Å; A89-F134 WeakPolarHBondContact O-CE1 3.36Å; I92-F134 HydrophobicContact CB-CE1 3.93Å; I92-F134 HydrophobicContact CD1-CD1 4.22Å; I92-F134 HydrophobicContact CD1-CE1 4.45Å; I92-F134 HydrophobicContact CG2-CD1 4.36Å; I92-F134 HydrophobicContact CG2-CE1 3.88Å; E93-F134 HydrophobicContact CG-CE1 4.36Å; E93-F134 HydrophobicContact CG-CZ 3.6Å; L123-F134 CarbonylContact O-C 3.57Å; L123-F134 VanDerWaalsContact O-CA 3.26Å; L123-F134 WeakPolarHBondContact O-CA 3.42Å; L131-F134 HydrophobicContact CD1-CB 4.17Å; L131-F134 HydrophobicContact CD2-CB 4.26Å; L131-F134 HydrophobicContact CD2-CD1 4.09Å; L131-F134 HydrophobicContact CD2-CG 4.4Å; F134-I136 HydrophobicContact CD2-CD1 3.98Å; F134-I136 HydrophobicContact CD2-CG1 3.87Å; F134-I136 HydrophobicContact CE2-CD1 3.77Å; F134-I136 HydrophobicContact CE2-CG1 4.05Å; F134-V164 HydrophobicContact CD2-CG1 4.39Å; F134-V164 HydrophobicContact CE2-CG1 3.57Å; F134-V164 HydrophobicContact CE2-CG2 4.41Å; F134-V164 HydrophobicContact CZ-CG1 4.32Å; F134-V164 HydrophobicContact CZ-CG2 4.45Å; F134-A166 HydrophobicContact CD1-CB 4.35Å; F134-A166 HydrophobicContact CE1-CB 3.72Å; F134-A166 HydrophobicContact CZ-CB 3.97Å; F134-A166 PolarHBondContact N-O 2.79Å; F134-A166 PolarHBondContact O-N 3.01Å
135	I	98.4	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.2	166.8	-65.2	172.4	0	0	0	107.7	S122 L123 L162 V164 L165 L180 L181 Y184	S122-I135 CarbonylContact C-O 3.54Å; S122-I135 VanDerWaalsContact CA-O 3.27Å; S122-I135 WeakPolarHBondContact CA-O 3.45Å; L123-I135 PolarHBondContact N-O 2.82Å; L123-I135 PolarHBondContact O-N 3.25Å; I135-L162 HydrophobicContact CG2-CD2 4.18Å; I135-L162 HydrophobicContact CG2-CG 4.16Å; I135-V164 WeakPolarHBondContact CA-O 3.48Å; I135-L165 HydrophobicContact CD1-CD1 3.94Å; I135-L165 HydrophobicContact CG1-CB 4.09Å; I135-L165 HydrophobicContact CG1-CD1 3.51Å; I135-L165 HydrophobicContact CG1-CG 4.31Å; I135-L180 HydrophobicContact CD1-CD2 4.38Å; I135-L180 HydrophobicContact CD1-CG 4.03Å; I135-L180 HydrophobicContact CG1-CD2 4.01Å; I135-L180 HydrophobicContact CG1-CG 4.19Å; I135-L181 HydrophobicContact CD1-CB 4.46Å; I135-L181 HydrophobicContact CD1-CD1 4.24Å; I135-Y184 HydrophobicContact CB-CD2 4.25Å; I135-Y184 HydrophobicContact CB-CE2 4.44Å; I135-Y184 HydrophobicContact CB-CG 4.33Å; I135-Y184 HydrophobicContact CD1-CD1 3.95Å; I135-Y184 HydrophobicContact CD1-CD2 4.43Å; I135-Y184 HydrophobicContact CD1-CG 3.73Å; I135-Y184 HydrophobicContact CG2-CD1 3.89Å; I135-Y184 HydrophobicContact CG2-CD2 4.03Å; I135-Y184 HydrophobicContact CG2-CE1 3.71Å; I135-Y184 HydrophobicContact CG2-CE2 3.86Å; I135-Y184 HydrophobicContact CG2-CG 4.03Å
136	I	98.3	Very high	96.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.8	167.6	-67.6	168.3	0	0	0	108.1	L81 L106 I111 F114 L115 F134 H163 V164	L81-I136 HydrophobicContact CD1-CD1 4.25Å; L81-I136 HydrophobicContact CD1-CG1 3.93Å; L106-I136 HydrophobicContact CD1-CB 4.31Å; L106-I136 HydrophobicContact CD1-CG2 4.04Å; I111-I136 HydrophobicContact CB-CD1 4.37Å; I111-I136 HydrophobicContact CG1-CD1 4.13Å; I111-I136 HydrophobicContact CG2-CD1 3.77Å; F114-I136 HydrophobicContact CB-CG2 3.8Å; F114-I136 HydrophobicContact CD2-CG2 4.19Å; F114-I136 HydrophobicContact CG-CG2 4.25Å; L115-I136 HydrophobicContact CD2-CD1 4.26Å; L115-I136 HydrophobicContact CD2-CG1 4.14Å; L115-I136 HydrophobicContact CG-CD1 4.44Å; F134-I136 HydrophobicContact CD2-CD1 3.98Å; F134-I136 HydrophobicContact CD2-CG1 3.87Å; F134-I136 HydrophobicContact CE2-CD1 3.77Å; F134-I136 HydrophobicContact CE2-CG1 4.05Å; I136-H163 PolarHBondContact O-N 3.18Å; I136-V164 HydrophobicContact CB-CG1 3.89Å; I136-V164 HydrophobicContact CG1-CG1 4.49Å; I136-V164 PolarHBondContact N-O 2.9Å; I136-V164 PolarHBondContact O-N 3.33Å
137	G	97.9	Very high	96.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	169.8	175.4	0	0	0	0	0	112.9	L121 H161	L121-G137 WeakPolarHBondContact CB-O 3.04Å; L121-G137 WeakPolarHBondContact O-CA 3.36Å; L121-G137 PolarHBondContact O-N 2.92Å; G137-H161 CarbonylContact C-O 3.58Å; G137-H161 WeakPolarHBondContact CA-O 3.4Å
138	S	98	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	173.1	168.2	73.6	0	0	0	0	110.3	M152 A160 H161 H163	S138-M152 PolarHBondContact OG-O 2.85Å; S138-A160 CarbonylContact O-C 3.57Å; S138-H161 PolarHBondContact N-O 3.22Å; S138-H161 PolarHBondContact O-N 2.94Å; S138-H163 WeakPolarHBondContact CB-NE2 3.4Å; S138-H163 PolarHBondContact OG-NE2 3.47Å
139	L	98.3	Very high	96.5	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.3	173.2	-67.3	177.9	0	0	0	111.7	L121 H153 R154 I159 V194	L121-L139 HydrophobicContact CD1-CB 4.49Å; L121-L139 HydrophobicContact CD1-CD1 4.49Å; L121-L139 HydrophobicContact CD1-CD2 3.89Å; L121-L139 HydrophobicContact CD1-CG 3.6Å; L121-L139 HydrophobicContact CD2-CD2 4.33Å; L139-H153 PolarHBondContact N-ND1 3.21Å; L139-R154 WeakPolarHBondContact CB-O 3.43Å; L139-R154 WeakPolarHBondContact O-CB 3.43Å; L139-R154 PolarHBondContact O-N 2.81Å; L139-I159 CarbonylContact C-O 3.5Å; L139-I159 WeakPolarHBondContact CA-O 3.41Å; L139-V194 HydrophobicContact CD2-CG2 3.91Å
140	W	98.2	Very high	96.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.7	177.4	-170.9	-119.7	0	0	0	111.2	K142 R144 L145 M146 E148 M152 R154 G157 H158 I159 H161	W140-K142 HydrophobicContact CH2-CD 4.18Å; W140-K142 HydrophobicContact CZ2-CB 3.88Å; W140-K142 HydrophobicContact CZ2-CD 3.74Å; W140-K142 HydrophobicContact CZ2-CG 4.1Å; W140-K142 PolarHBondContact NE1-O 3.03Å; W140-K142 VanDerWaalsContact NE1-O 3.14Å; W140-R144 PolarHBondContact NE1-O 2.7Å; W140-L145 HydrophobicContact CG-CD2 4.43Å; W140-M146 HydrophobicContact CH2-CE 4.26Å; W140-M146 HydrophobicContact CZ2-CB 4.4Å; W140-M146 HydrophobicContact CZ2-CE 3.81Å; W140-E148 HydrophobicContact CH2-CG 3.78Å; W140-E148 WeakPolarHBondContact CH2-OE1 3.26Å; W140-M152 HydrophobicContact CH2-CE 4.12Å; W140-M152 HydrophobicContact CZ3-CE 3.8Å; W140-R154 HydrophobicContact CE3-CG 3.78Å; W140-R154 HydrophobicContact CZ3-CG 3.96Å; W140-G157 CarbonylContact O-C 3.54Å; W140-G157 WeakPolarHBondContact O-CA 3.02Å; W140-H158 PolarHBondContact O-N 3.39Å; W140-I159 HydrophobicContact CB-CB 4.24Å; W140-I159 PolarHBondContact N-O 3.49Å; W140-I159 PolarHBondContact O-N 3.35Å; W140-I159 VanDerWaalsContact O-N 3.16Å; W140-H161 HydrophobicContact CB-CB 4.21Å
141	D	97.1	Very high	96.3	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	18%	0.179	S	C	.	.			trans	-116.1	1.9	-169.5	62.7	-10	0	0	0	114.2	R154	D141-R154 HydrophobicContact CB-CB 4.01Å; D141-R154 HydrophobicContact CB-CG 4.36Å; D141-R154 WeakPolarHBondContact OD1-CG 3.46Å; D141-R154 IonicContact OD1-NE 3.69Å; D141-R154 WeakPolarHBondContact OD2-CD 3.45Å; D141-R154 IonicContact OD2-NE 2.95Å
142	K	96.7	Very high	96.2	Very high	81 Å²	81	37.7 Å²	37.7	35%	0.352	19%	0.187	S	C	.	.	S	Bend	trans	-116.2	154.4	178.4	-61	174.4	-177.1	176	0	111.3	W140 R144 M146 E148 I159	W140-K142 HydrophobicContact CH2-CD 4.18Å; W140-K142 HydrophobicContact CZ2-CB 3.88Å; W140-K142 HydrophobicContact CZ2-CD 3.74Å; W140-K142 HydrophobicContact CZ2-CG 4.1Å; W140-K142 PolarHBondContact NE1-O 3.03Å; W140-K142 VanDerWaalsContact NE1-O 3.14Å; K142-R144 PolarHBondContact O-N 2.78Å; K142-M146 HydrophobicContact CD-CE 3.1Å; K142-M146 HydrophobicContact CG-CE 4.41Å; K142-M146 VanDerWaalsContact NZ-CE 3.28Å; K142-E148 IonicContact NZ-OE1 3.61Å; K142-E148 PolarHBondContact NZ-OE1 3.15Å; K142-I159 WeakPolarHBondContact O-CD1 3.31Å
143	D	95.8	Very high	96.2	Very high	127 Å²	127	39.1 Å²	39.1	68%	0.679	19%	0.193	S	C	*	.	S	Bend	trans	-65	-23.1	-174.7	-73.8	-35.7	0	0	0	114.7	H233	D143-H233 PolarHBondContact O-CE1 2.87Å
144	R	97.1	Very high	96.2	Very high	83 Å²	83	42.6 Å²	42.6	31%	0.313	21%	0.206	S	C	.	.	S	Bend	trans	-128.3	147.3	-179.3	-65.5	-63.5	-55.2	-131	-3.1	110.5	W140 K142 M217 P219 E231	W140-R144 PolarHBondContact NE1-O 2.7Å; K142-R144 PolarHBondContact O-N 2.78Å; R144-M217 PolarHBondContact NH1-O 3.01Å; R144-P219 PolarHBondContact NH2-O 3.23Å; R144-E231 VanDerWaalsContact CA-OE1 3.25Å; R144-E231 WeakPolarHBondContact CA-OE1 3.42Å; R144-E231 WeakPolarHBondContact CD-OE1 3.31Å; R144-E231 VanDerWaalsContact CZ-CD 3.49Å; R144-E231 IonicContact CZ-OE1 2.92Å; R144-E231 IonicContact CZ-OE2 3.45Å; R144-E231 IonicContact NE-OE1 3.93Å; R144-E231 PolarHBondContact NE-OE1 2.9Å; R144-E231 IonicContact NE-OE2 3.55Å; R144-E231 PolarHBondContact NE-OE2 2.78Å; R144-E231 VanDerWaalsContact NH2-CD 3.32Å; R144-E231 IonicContact NH2-OE1 2.73Å; R144-E231 IonicContact NH2-OE2 3.2Å; R144-E231 PolarHBondContact NH2-OE2 3.15Å
145	L	96.5	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.			trans	-68.5	143.1	171	-61.1	-179.4	0	0	0	110.4	W140 H161 A198 M200 I222 E231	W140-L145 HydrophobicContact CG-CD2 4.43Å; L145-H161 HydrophobicContact CD2-CB 4.22Å; L145-H161 VanDerWaalsContact CD2-CD2 3.45Å; L145-H161 WeakPolarHBondContact CD2-CD2 3.26Å; L145-A198 HydrophobicContact CD1-CB 4.46Å; L145-A198 HydrophobicContact CD2-CB 4.22Å; L145-A198 HydrophobicContact CG-CB 4.43Å; L145-M200 HydrophobicContact CD1-CB 4.4Å; L145-I222 HydrophobicContact CB-CD1 3.8Å; L145-E231 HydrophobicContact CD1-CG 4.15Å; L145-E231 HydrophobicContact CG-CG 4.24Å; L145-E231 PolarHBondContact N-OE1 3.04Å; L145-E231 PolarHBondContact N-OE2 3.04Å
146	M	95.1	Very high	95.9	Very high	63 Å²	63	50.2 Å²	50.2	31%	0.31	27%	0.266	S	S	.	.			trans	-138.7	165.5	-177.9	-69.6	-165.6	-68.6	0	0	110.1	W140 K142 E148 S149 I222	W140-M146 HydrophobicContact CH2-CE 4.26Å; W140-M146 HydrophobicContact CZ2-CB 4.4Å; W140-M146 HydrophobicContact CZ2-CE 3.81Å; K142-M146 HydrophobicContact CD-CE 3.1Å; K142-M146 HydrophobicContact CG-CE 4.41Å; K142-M146 VanDerWaalsContact NZ-CE 3.28Å; M146-E148 HydrophobicContact CB-CG 4.18Å; M146-E148 HydrophobicContact CE-CG 4.47Å; M146-E148 WeakPolarHBondContact CE-OE1 3.32Å; M146-E148 PolarHBondContact O-N 3.03Å; M146-S149 PolarHBondContact N-OG 3.24Å; M146-S149 WeakPolarHBondContact O-CA 3.34Å; M146-S149 WeakPolarHBondContact O-CB 3.16Å; M146-S149 PolarHBondContact O-N 3.35Å; M146-S149 PolarHBondContact O-OG 2.93Å; M146-I222 VanDerWaalsContact C-CG1 3.4Å; M146-I222 WeakPolarHBondContact O-CD1 3.21Å; M146-I222 WeakPolarHBondContact O-CG1 3.43Å
147	Q	92.5	Very high	95.8	Very high	103 Å²	103	50.1 Å²	50.1	48%	0.481	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-52.3	-38.6	-176.8	-162.8	69.3	8	0	0	113.1	S149 L150 T223	Q147-S149 VanDerWaalsContact C-N 3.27Å; Q147-S149 PolarHBondContact O-N 2.8Å; Q147-L150 WeakPolarHBondContact O-CB 3.31Å; Q147-L150 PolarHBondContact O-N 3.14Å; Q147-T223 PolarHBondContact NE2-O 2.72Å
148	E	93.9	Very high	95.7	Very high	71 Å²	71	54.8 Å²	54.8	33%	0.332	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-68.3	-21.3	177.9	64.1	169.8	-160.2	0	0	113.5	W140 K142 M146 L150 T151 M152 R154	W140-E148 HydrophobicContact CH2-CG 3.78Å; W140-E148 WeakPolarHBondContact CH2-OE1 3.26Å; K142-E148 IonicContact NZ-OE1 3.61Å; K142-E148 PolarHBondContact NZ-OE1 3.15Å; M146-E148 HydrophobicContact CB-CG 4.18Å; M146-E148 HydrophobicContact CE-CG 4.47Å; M146-E148 WeakPolarHBondContact CE-OE1 3.32Å; M146-E148 PolarHBondContact O-N 3.03Å; E148-L150 PolarHBondContact O-N 3.32Å; E148-T151 PolarHBondContact O-N 3.3Å; E148-M152 HydrophobicContact CB-CE 3.45Å; E148-M152 VanDerWaalsContact CB-CE 3.45Å; E148-M152 VanDerWaalsContact CD-CE 3.41Å; E148-M152 HydrophobicContact CG-CE 3.49Å; E148-M152 VanDerWaalsContact CG-CE 3.49Å; E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 WeakPolarHBondContact O-CE 3.35Å; E148-M152 WeakPolarHBondContact O-CG 3.37Å; E148-M152 PolarHBondContact O-N 3.17Å; E148-R154 IonicContact OE1-NH2 2.77Å
149	S	94.6	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.6	-11.9	178	76.1	0	0	0	0	113.3	M146 Q147 T151 H161 H163	M146-S149 PolarHBondContact N-OG 3.24Å; M146-S149 WeakPolarHBondContact O-CA 3.34Å; M146-S149 WeakPolarHBondContact O-CB 3.16Å; M146-S149 PolarHBondContact O-N 3.35Å; M146-S149 PolarHBondContact O-OG 2.93Å; Q147-S149 VanDerWaalsContact C-N 3.27Å; Q147-S149 PolarHBondContact O-N 2.8Å; S149-T151 VanDerWaalsContact C-N 3.32Å; S149-H161 PolarHBondContact O-CE1 3.2Å; S149-H161 PolarHBondContact O-ND1 2.96Å; S149-H163 PolarHBondContact O-CE1 3Å
150	L	91.8	Very high	95.7	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.188	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-71.1	-25.8	175.3	-66.3	179.1	0	0	0	113.3	Q147 E148 H163 M200 I222	Q147-L150 WeakPolarHBondContact O-CB 3.31Å; Q147-L150 PolarHBondContact O-N 3.14Å; E148-L150 PolarHBondContact O-N 3.32Å; L150-H163 PolarHBondContact O-CE1 3.28Å; L150-H163 PolarHBondContact O-ND1 2.96Å; L150-M200 HydrophobicContact CD2-CE 3.67Å; L150-I222 HydrophobicContact CD1-CG2 3.76Å; L150-I222 HydrophobicContact CD2-CD1 3.99Å; L150-I222 HydrophobicContact CD2-CG2 4.2Å; L150-I222 HydrophobicContact CG-CD1 4.16Å; L150-I222 HydrophobicContact CG-CG2 4.19Å
151	T	92.4	Very high	95.7	Very high	80 Å²	80	54.7 Å²	54.7	49%	0.491	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	0.2	-172	57.6	0	0	0	0	113.3	E148 S149	E148-T151 PolarHBondContact O-N 3.3Å; S149-T151 VanDerWaalsContact C-N 3.32Å
152	M	95.7	Very high	95.7	Very high	46 Å²	46	51.4 Å²	51.4	23%	0.227	27%	0.269	C	S	.	.			trans	-112.2	145.7	-176.1	-68.1	-163.4	-57.7	0	0	113.5	S138 W140 E148	S138-M152 PolarHBondContact OG-O 2.85Å; W140-M152 HydrophobicContact CH2-CE 4.12Å; W140-M152 HydrophobicContact CZ3-CE 3.8Å; E148-M152 HydrophobicContact CB-CE 3.45Å; E148-M152 VanDerWaalsContact CB-CE 3.45Å; E148-M152 VanDerWaalsContact CD-CE 3.41Å; E148-M152 HydrophobicContact CG-CE 3.49Å; E148-M152 VanDerWaalsContact CG-CE 3.49Å; E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 WeakPolarHBondContact O-CE 3.35Å; E148-M152 WeakPolarHBondContact O-CG 3.37Å; E148-M152 PolarHBondContact O-N 3.17Å
153	H	96.9	Very high	95.7	Very high	35 Å²	35	48.5 Å²	48.5	16%	0.162	26%	0.257	C	S	.	.			trans	-111.4	128.1	162.7	172.1	88.5	0	0	0	108.3	F114 L117 C118 L139 P155	F114-H153 HydrophobicContact CE1-CB 4.46Å; L117-H153 HydrophobicContact CD1-CB 4.21Å; C118-H153 PolarHBondContact SG-ND1 3.12Å; L139-H153 PolarHBondContact N-ND1 3.21Å; H153-P155 WeakPolarHBondContact O-CD 3.44Å
154	R	97.4	Very high	95.6	Very high	72 Å²	72	42.8 Å²	42.8	27%	0.272	23%	0.227	S	C	.	.			trans	-111.9	94.4	179.6	-62.6	-71.9	-165.6	-179.1	-0.4	109.3	L139 W140 D141 E148 G156 G157	L139-R154 WeakPolarHBondContact CB-O 3.43Å; L139-R154 WeakPolarHBondContact O-CB 3.43Å; L139-R154 PolarHBondContact O-N 2.81Å; W140-R154 HydrophobicContact CE3-CG 3.78Å; W140-R154 HydrophobicContact CZ3-CG 3.96Å; D141-R154 HydrophobicContact CB-CB 4.01Å; D141-R154 HydrophobicContact CB-CG 4.36Å; D141-R154 WeakPolarHBondContact OD1-CG 3.46Å; D141-R154 IonicContact OD1-NE 3.69Å; D141-R154 WeakPolarHBondContact OD2-CD 3.45Å; D141-R154 IonicContact OD2-NE 2.95Å; E148-R154 IonicContact OE1-NH2 2.77Å; R154-G156 PolarHBondContact O-N 3.05Å; R154-G157 WeakPolarHBondContact O-CA 3.44Å; R154-G157 PolarHBondContact O-N 2.84Å
155	P	94.9	Very high	95.6	Very high	100 Å²	100	39.4 Å²	39.4	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.4	-173.9	-26.2	32.5	0	0	0	115.3	H153 G157	H153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-G157 VanDerWaalsContact C-N 3.28Å
156	G	94.6	Very high	95.4	Very high	60 Å²	60	39.4 Å²	39.4	62%	0.619	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	3	175.4	0	0	0	0	0	114.6	R154	R154-G156 PolarHBondContact O-N 3.05Å
157	G	96.4	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.			trans	-77	153.6	-178.9	0	0	0	0	0	113	W140 R154 P155	W140-G157 CarbonylContact O-C 3.54Å; W140-G157 WeakPolarHBondContact O-CA 3.02Å; R154-G157 WeakPolarHBondContact O-CA 3.44Å; R154-G157 PolarHBondContact O-N 2.84Å; P155-G157 VanDerWaalsContact C-N 3.28Å
158	H	96.4	Very high	95.3	Very high	98 Å²	98	35 Å²	35	45%	0.454	19%	0.194	S	C	.	.			trans	-114.1	2.1	179.3	-58.7	-57.1	0	0	0	113.3	W140 A193 H195 R196	W140-H158 PolarHBondContact O-N 3.39Å; H158-A193 WeakPolarHBondContact CA-O 3.3Å; H158-A193 PolarHBondContact ND1-O 3.31Å; H158-H195 HydrophobicContact CB-CB 4.48Å; H158-H195 PolarHBondContact O-N 3.23Å; H158-R196 PolarHBondContact O-N 3.1Å
159	I	97.9	Very high	95.1	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.067	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.8	179.8	-54.9	-179	0	0	0	107.9	L139 W140 K142 H161 R196 A198	L139-I159 CarbonylContact C-O 3.5Å; L139-I159 WeakPolarHBondContact CA-O 3.41Å; W140-I159 HydrophobicContact CB-CB 4.24Å; W140-I159 PolarHBondContact N-O 3.49Å; W140-I159 PolarHBondContact O-N 3.35Å; W140-I159 VanDerWaalsContact O-N 3.16Å; K142-I159 WeakPolarHBondContact O-CD1 3.31Å; I159-H161 PolarHBondContact O-N 3.42Å; I159-R196 CarbonylContact C-O 3.59Å; I159-R196 WeakPolarHBondContact CA-O 3.42Å; I159-R196 HydrophobicContact CG1-CB 4.3Å; I159-A198 HydrophobicContact CG2-CB 3.43Å; I159-A198 VanDerWaalsContact CG2-CB 3.43Å
160	A	98.1	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	107.1	167.2	0	0	0	0	0	109	S138 L162 L188 V194 R196 A197 A198	S138-A160 CarbonylContact O-C 3.57Å; A160-L162 WeakPolarHBondContact O-CD1 3.44Å; A160-L188 HydrophobicContact CB-CD1 3.52Å; A160-L188 HydrophobicContact CB-CD2 3.81Å; A160-L188 HydrophobicContact CB-CG 4.27Å; A160-V194 HydrophobicContact CB-CG1 3.62Å; A160-R196 PolarHBondContact N-O 2.94Å; A160-A197 CarbonylContact O-C 3.44Å; A160-A197 VanDerWaalsContact O-CA 3.31Å; A160-A197 WeakPolarHBondContact O-CA 3.31Å; A160-A198 PolarHBondContact O-N 3.13Å
161	H	98.1	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.4	173.6	176.4	-141.4	0	0	0	109.3	G137 S138 W140 L145 S149 I159 H163 A198	G137-H161 CarbonylContact C-O 3.58Å; G137-H161 WeakPolarHBondContact CA-O 3.4Å; S138-H161 PolarHBondContact N-O 3.22Å; S138-H161 PolarHBondContact O-N 2.94Å; W140-H161 HydrophobicContact CB-CB 4.21Å; L145-H161 HydrophobicContact CD2-CB 4.22Å; L145-H161 VanDerWaalsContact CD2-CD2 3.45Å; L145-H161 WeakPolarHBondContact CD2-CD2 3.26Å; S149-H161 PolarHBondContact O-CE1 3.2Å; S149-H161 PolarHBondContact O-ND1 2.96Å; I159-H161 PolarHBondContact O-N 3.42Å; H161-H163 AromaticContact CE1-CE1 3.58Å; H161-H163 AromaticContact CE1-ND1 3.34Å; H161-H163 PolarHBondContact CE1-ND1 3.46Å; H161-H163 VanDerWaalsContact CE1-ND1 3.34Å; H161-H163 AromaticContact ND1-CE1 3.25Å; H161-H163 PolarHBondContact ND1-CE1 3.46Å; H161-H163 AromaticContact ND1-ND1 3.48Å; H161-H163 PolarHBondContact ND1-ND1 2.84Å; H161-H163 AromaticContact ND1-NE2 3.65Å; H161-H163 PolarHBondContact O-N 3.24Å; H161-A198 CarbonylContact C-O 2.89Å; H161-A198 WeakPolarHBondContact CA-O 3.44Å
162	L	97.9	Very high	94.4	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.3	173.6	-70.4	68.6	0	0	0	108.1	I135 A160 L181 Y184 A197 A198 L199	I135-L162 HydrophobicContact CG2-CD2 4.18Å; I135-L162 HydrophobicContact CG2-CG 4.16Å; A160-L162 WeakPolarHBondContact O-CD1 3.44Å; L162-L181 HydrophobicContact CD2-CD1 3.9Å; L162-Y184 HydrophobicContact CD1-CE1 3.73Å; L162-Y184 HydrophobicContact CD2-CD1 3.96Å; L162-Y184 HydrophobicContact CD2-CE1 3.8Å; L162-Y184 HydrophobicContact CG-CD1 4.24Å; L162-Y184 HydrophobicContact CG-CE1 3.55Å; L162-A197 HydrophobicContact CD1-CB 3.99Å; L162-A198 PolarHBondContact N-O 3.46Å; L162-L199 HydrophobicContact CB-CB 4.11Å; L162-L199 HydrophobicContact CD2-CD2 4.23Å
163	H	95.8	Very high	93.8	Very high	21 Å²	21	38 Å²	38	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-38.8	177.9	-65.3	-84.7	0	0	0	111.6	L106 F114 I136 S138 S149 L150 H161	L106-H163 HydrophobicContact CD1-CB 3.86Å; L106-H163 HydrophobicContact CD2-CB 4.26Å; L106-H163 HydrophobicContact CG-CB 4.25Å; F114-H163 AromaticContact CE1-NE2 3.67Å; F114-H163 AromaticContact CE2-CD2 3.98Å; F114-H163 AromaticContact CE2-CE1 3.78Å; F114-H163 AromaticContact CE2-NE2 3.75Å; F114-H163 AromaticContact CZ-CE1 3.36Å; F114-H163 WeakPolarHBondContact CZ-CE1 3.49Å; F114-H163 AromaticContact CZ-NE2 3.35Å; F114-H163 WeakPolarHBondContact CZ-NE2 3.34Å; I136-H163 PolarHBondContact O-N 3.18Å; S138-H163 WeakPolarHBondContact CB-NE2 3.4Å; S138-H163 PolarHBondContact OG-NE2 3.47Å; S149-H163 PolarHBondContact O-CE1 3Å; L150-H163 PolarHBondContact O-CE1 3.28Å; L150-H163 PolarHBondContact O-ND1 2.96Å; H161-H163 AromaticContact CE1-CE1 3.58Å; H161-H163 AromaticContact CE1-ND1 3.34Å; H161-H163 PolarHBondContact CE1-ND1 3.46Å; H161-H163 VanDerWaalsContact CE1-ND1 3.34Å; H161-H163 AromaticContact ND1-CE1 3.25Å; H161-H163 PolarHBondContact ND1-CE1 3.46Å; H161-H163 AromaticContact ND1-ND1 3.48Å; H161-H163 PolarHBondContact ND1-ND1 2.84Å; H161-H163 AromaticContact ND1-NE2 3.65Å; H161-H163 PolarHBondContact O-N 3.24Å
164	V	94.4	Very high	93.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	143.9	-175.4	62.3	0	0	0	0	111.8	E93 F97 P105 L106 F134 I135 I136 A166	E93-V164 HydrophobicContact CG-CG2 4.36Å; E93-V164 WeakPolarHBondContact OE1-CG1 3.36Å; E93-V164 WeakPolarHBondContact OE1-CG2 3.3Å; F97-V164 HydrophobicContact CE2-CG2 3.88Å; F97-V164 HydrophobicContact CZ-CG2 4.11Å; P105-V164 HydrophobicContact CB-CB 4.4Å; P105-V164 HydrophobicContact CB-CG2 4.48Å; P105-V164 HydrophobicContact CG-CG2 4.47Å; L106-V164 HydrophobicContact CD1-CG1 3.86Å; F134-V164 HydrophobicContact CD2-CG1 4.39Å; F134-V164 HydrophobicContact CE2-CG1 3.57Å; F134-V164 HydrophobicContact CE2-CG2 4.41Å; F134-V164 HydrophobicContact CZ-CG1 4.32Å; F134-V164 HydrophobicContact CZ-CG2 4.45Å; I135-V164 WeakPolarHBondContact CA-O 3.48Å; I136-V164 HydrophobicContact CB-CG1 3.89Å; I136-V164 HydrophobicContact CG1-CG1 4.49Å; I136-V164 PolarHBondContact N-O 2.9Å; I136-V164 PolarHBondContact O-N 3.33Å; V164-A166 HydrophobicContact CG2-CB 4.27Å
165	L	95.3	Very high	93.1	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.2	163.4	163.2	59.6	0	0	0	107.2	L21 I135 L180 L181 Y209	L21-L165 HydrophobicContact CD2-CD2 4.48Å; L21-L165 HydrophobicContact CD2-CG 4.39Å; I135-L165 HydrophobicContact CD1-CD1 3.94Å; I135-L165 HydrophobicContact CG1-CB 4.09Å; I135-L165 HydrophobicContact CG1-CD1 3.51Å; I135-L165 HydrophobicContact CG1-CG 4.31Å; L165-L180 HydrophobicContact CD1-CD2 4.11Å; L165-L181 HydrophobicContact CD2-CB 4.4Å; L165-Y209 HydrophobicContact CD2-CE1 4.44Å
166	A	93.5	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.7	-179.3	0	0	0	0	0	111.9	I92 F97 A133 F134 V164	I92-A166 HydrophobicContact CG2-CB 3.82Å; F97-A166 HydrophobicContact CE2-CB 4.09Å; A133-A166 CarbonylContact C-O 3.59Å; A133-A166 VanDerWaalsContact CA-O 3.26Å; A133-A166 WeakPolarHBondContact CA-O 3.33Å; F134-A166 HydrophobicContact CD1-CB 4.35Å; F134-A166 HydrophobicContact CE1-CB 3.72Å; F134-A166 HydrophobicContact CZ-CB 3.97Å; F134-A166 PolarHBondContact N-O 2.79Å; F134-A166 PolarHBondContact O-N 3.01Å; V164-A166 HydrophobicContact CG2-CB 4.27Å
167	V	93.3	Very high	93	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.7	175.4	-177.9	0	0	0	0	107.8	A133 C169 F171 R172 R176	A133-V167 HydrophobicContact CB-CB 4.33Å; A133-V167 HydrophobicContact CB-CG1 4.29Å; A133-V167 HydrophobicContact CB-CG2 3.94Å; V167-C169 PolarHBondContact O-N 2.84Å; V167-F171 HydrophobicContact CG1-CB 4.19Å; V167-R172 HydrophobicContact CB-CG 4.11Å; V167-R172 HydrophobicContact CG1-CG 4.02Å; V167-R172 PolarHBondContact O-NE 3.33Å; V167-R172 PolarHBondContact O-NH2 2.8Å; V167-R172 VanDerWaalsContact O-NH2 3.12Å; V167-R176 HydrophobicContact CG1-CB 3.95Å; V167-R176 HydrophobicContact CG2-CB 4.44Å
168	H	92.4	Very high	92.9	Very high	69 Å²	69	35.3 Å²	35.3	32%	0.319	19%	0.192	S	C	.	.			trans	-54.9	134.9	174.2	-176.3	-76.3	0	0	0	110.1	I92 V132 A170 F171 R172	I92-H168 HydrophobicContact CD1-CB 4.29Å; I92-H168 HydrophobicContact CG1-CB 4.18Å; V132-H168 VanDerWaalsContact O-CB 3.24Å; V132-H168 WeakPolarHBondContact O-CB 3.23Å; V132-H168 PolarHBondContact O-N 3.12Å; H168-A170 VanDerWaalsContact C-N 3.3Å; H168-A170 PolarHBondContact ND1-N 3.26Å; H168-A170 PolarHBondContact O-N 2.89Å; H168-A170 VanDerWaalsContact O-N 3.16Å; H168-F171 HydrophobicContact CB-CD2 4.06Å; H168-F171 AromaticContact ND1-CD2 3.76Å; H168-F171 PolarHBondContact O-N 3.36Å; H168-R172 PolarHBondContact O-N 3.47Å
169	C	88.7	Confident	92.8	Very high	52 Å²	52	33.4 Å²	33.4	35%	0.351	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.5	-41.8	-169.6	56.4	0	0	0	0	114.3	E95 V167 F171 R172	E95-C169 WeakPolarHBondContact OE1-CB 3.45Å; E95-C169 WeakPolarHBondContact OE2-CB 3.46Å; V167-C169 PolarHBondContact O-N 2.84Å; C169-F171 PolarHBondContact O-N 3.13Å; C169-F171 VanDerWaalsContact O-N 3.11Å; C169-R172 PolarHBondContact O-N 3.33Å
170	A	88.8	Confident	92.8	Very high	63 Å²	63	32.8 Å²	32.8	52%	0.521	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-60.9	-19.1	177.4	0	0	0	0	0	114.4	H168 Q174	H168-A170 VanDerWaalsContact C-N 3.3Å; H168-A170 PolarHBondContact ND1-N 3.26Å; H168-A170 PolarHBondContact O-N 2.89Å; H168-A170 VanDerWaalsContact O-N 3.16Å; A170-Q174 PolarHBondContact O-NE2 3.38Å
171	F	88.4	Confident	92.8	Very high	53 Å²	53	32.8 Å²	32.8	23%	0.232	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-112.9	4.8	-176.4	-61.9	-85.1	0	0	0	113.2	V132 V167 H168 C169 R176	V132-F171 HydrophobicContact CB-CD2 3.84Å; V132-F171 HydrophobicContact CB-CE2 4.12Å; V132-F171 HydrophobicContact CB-CG 4.09Å; V132-F171 HydrophobicContact CG1-CD1 4.49Å; V132-F171 HydrophobicContact CG1-CD2 3.73Å; V132-F171 HydrophobicContact CG1-CE1 4.26Å; V132-F171 HydrophobicContact CG1-CE2 3.46Å; V132-F171 VanDerWaalsContact CG1-CE2 3.46Å; V132-F171 HydrophobicContact CG1-CG 4.24Å; V132-F171 HydrophobicContact CG1-CZ 3.74Å; V167-F171 HydrophobicContact CG1-CB 4.19Å; H168-F171 HydrophobicContact CB-CD2 4.06Å; H168-F171 AromaticContact ND1-CD2 3.76Å; H168-F171 PolarHBondContact O-N 3.36Å; C169-F171 PolarHBondContact O-N 3.13Å; C169-F171 VanDerWaalsContact O-N 3.11Å; F171-R176 HydrophobicContact CB-CG 4.15Å; F171-R176 WeakPolarHBondContact O-CG 2.96Å
172	R	87.3	Confident	92.7	Very high	35 Å²	35	37.2 Å²	37.2	13%	0.132	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	159.2	173	-67	-175.4	-171.3	150.1	14.1	110.5	K19 V20 E95 V167 H168 C169 Q174	K19-R172 WeakPolarHBondContact O-CD 3.39Å; K19-R172 PolarHBondContact O-NH1 3.34Å; V20-R172 WeakPolarHBondContact O-CD 3.49Å; V20-R172 PolarHBondContact O-NE 3.05Å; E95-R172 IonicContact OE2-CZ 3.73Å; E95-R172 IonicContact OE2-NH1 3.24Å; E95-R172 IonicContact OE2-NH2 3.65Å; E95-R172 PolarHBondContact OE2-NH2 3.48Å; V167-R172 HydrophobicContact CB-CG 4.11Å; V167-R172 HydrophobicContact CG1-CG 4.02Å; V167-R172 PolarHBondContact O-NE 3.33Å; V167-R172 PolarHBondContact O-NH2 2.8Å; V167-R172 VanDerWaalsContact O-NH2 3.12Å; H168-R172 PolarHBondContact O-N 3.47Å; C169-R172 PolarHBondContact O-N 3.33Å; R172-Q174 PolarHBondContact O-N 3.02Å
173	Q	83	Confident	92.6	Very high	93 Å²	93	42 Å²	42	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	3.7	179.8	-53.8	-71.8	11.6	0	0	116.4	G22 G23	G22-Q173 VanDerWaalsContact C-NE2 3.29Å; G22-Q173 VanDerWaalsContact CA-CD 3.46Å; G23-Q173 PolarHBondContact O-NE2 3.48Å; G23-Q173 PolarHBondContact O-OE1 2.85Å
174	Q	89.3	Confident	92.7	Very high	109 Å²	109	41 Å²	41	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13	176.6	-60.7	171.4	26.5	0	0	112.4	A170 R172 R176	A170-Q174 PolarHBondContact O-NE2 3.38Å; R172-Q174 PolarHBondContact O-N 3.02Å; Q174-R176 VanDerWaalsContact C-N 3.3Å; Q174-R176 HydrophobicContact CB-CG 4.36Å; Q174-R176 PolarHBondContact O-N 3.27Å
175	G	90.4	Very high	92.8	Very high	29 Å²	29	41.5 Å²	41.5	30%	0.299	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	7	-178.3	0	0	0	0	0	115.1	G177 P178 I179	G175-G177 PolarHBondContact O-N 3.37Å; G175-P178 WeakPolarHBondContact O-CD 3.48Å; G175-I179 WeakPolarHBondContact O-CD1 3.01Å; G175-I179 WeakPolarHBondContact O-CG1 3.46Å; G175-I179 PolarHBondContact O-N 2.85Å; G175-I179 VanDerWaalsContact O-N 3.13Å
176	R	93.1	Very high	92.8	Very high	28 Å²	28	45.1 Å²	45.1	11%	0.106	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-49.9	-177	-61.1	-70.5	-172.7	161.5	1.6	112.8	W125 E127 V167 F171 Q174 I179 L180	W125-R176 HydrophobicContact CE3-CB 4.13Å; W125-R176 HydrophobicContact CE3-CG 4.46Å; W125-R176 VanDerWaalsContact CH2-CD 3.44Å; W125-R176 HydrophobicContact CZ3-CB 4.01Å; W125-R176 HydrophobicContact CZ3-CG 4.23Å; W125-R176 VanDerWaalsContact NE1-NH1 3.17Å; E127-R176 IonicContact OE1-CZ 3.69Å; E127-R176 IonicContact OE1-NH1 3.97Å; E127-R176 PolarHBondContact OE1-NH1 3.03Å; E127-R176 IonicContact OE1-NH2 2.68Å; E127-R176 PolarHBondContact OE1-NH2 2.96Å; E127-R176 IonicContact OE2-CZ 3.41Å; E127-R176 IonicContact OE2-NH1 3.54Å; E127-R176 IonicContact OE2-NH2 2.74Å; E127-R176 PolarHBondContact OE2-NH2 3.44Å; V167-R176 HydrophobicContact CG1-CB 3.95Å; V167-R176 HydrophobicContact CG2-CB 4.44Å; F171-R176 HydrophobicContact CB-CG 4.15Å; F171-R176 WeakPolarHBondContact O-CG 2.96Å; Q174-R176 VanDerWaalsContact C-N 3.3Å; Q174-R176 HydrophobicContact CB-CG 4.36Å; Q174-R176 PolarHBondContact O-N 3.27Å; R176-I179 PolarHBondContact O-N 2.79Å; R176-L180 WeakPolarHBondContact O-CB 3.34Å; R176-L180 PolarHBondContact O-N 3.04Å
177	G	93.6	Very high	92.8	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-55.2	178.4	0	0	0	0	0	113.3	G175 I179 L180 L181	G175-G177 PolarHBondContact O-N 3.37Å; G177-I179 PolarHBondContact O-N 3.49Å; G177-L180 PolarHBondContact O-N 3.33Å; G177-L181 WeakPolarHBondContact O-CB 3.25Å; G177-L181 PolarHBondContact O-N 3.48Å
178	P	94.3	Very high	92.9	Very high	37 Å²	37	47.1 Å²	47.1	24%	0.24	24%	0.238	C	C	.	.	H	α-helix	trans	-50.4	-47.3	172.9	-33.7	36.3	0	0	0	115.4	G175 W182 F208 F212	G175-P178 WeakPolarHBondContact O-CD 3.48Å; P178-W182 WeakPolarHBondContact O-CB 3.42Å; P178-W182 PolarHBondContact O-N 3.01Å; P178-F208 HydrophobicContact CG-CE2 3.85Å; P178-F208 HydrophobicContact CG-CZ 4.31Å; P178-F212 HydrophobicContact CB-CZ 3.82Å; P178-F212 VanDerWaalsContact O-CE1 3.26Å; P178-F212 WeakPolarHBondContact O-CE1 3.29Å
179	I	96	Very high	92.8	Very high	58 Å²	58	45.2 Å²	45.2	30%	0.297	24%	0.237	S	C	.	.	H	α-helix	trans	-67.3	-42.8	-178.3	-69.4	165.5	0	0	0	110.3	F78 W125 G175 R176 G177 W182 R183	F78-I179 HydrophobicContact CE1-CG2 4.49Å; F78-I179 HydrophobicContact CZ-CG2 4.12Å; W125-I179 HydrophobicContact CH2-CB 4.27Å; W125-I179 HydrophobicContact CH2-CD1 3.99Å; W125-I179 HydrophobicContact CH2-CG2 3.87Å; W125-I179 HydrophobicContact CZ3-CB 3.79Å; W125-I179 HydrophobicContact CZ3-CD1 4.24Å; W125-I179 HydrophobicContact CZ3-CG2 3.62Å; G175-I179 WeakPolarHBondContact O-CD1 3.01Å; G175-I179 WeakPolarHBondContact O-CG1 3.46Å; G175-I179 PolarHBondContact O-N 2.85Å; G175-I179 VanDerWaalsContact O-N 3.13Å; R176-I179 PolarHBondContact O-N 2.79Å; G177-I179 PolarHBondContact O-N 3.49Å; I179-W182 PolarHBondContact O-N 3.1Å; I179-R183 WeakPolarHBondContact O-CG 3.36Å; I179-R183 PolarHBondContact O-N 3.31Å
180	L	97.1	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-46.1	178.6	-175.7	64.2	0	0	0	111.3	F78 L123 W125 A133 I135 L165 R176 G177 W182 R183 Y184	F78-L180 HydrophobicContact CD1-CD1 4.15Å; F78-L180 HydrophobicContact CE1-CD1 4.25Å; L123-L180 HydrophobicContact CB-CD1 4.39Å; L123-L180 HydrophobicContact CD2-CD1 3.75Å; L123-L180 HydrophobicContact CG-CD1 3.81Å; W125-L180 HydrophobicContact CB-CD1 4.37Å; A133-L180 HydrophobicContact CB-CD2 3.72Å; I135-L180 HydrophobicContact CD1-CD2 4.38Å; I135-L180 HydrophobicContact CD1-CG 4.03Å; I135-L180 HydrophobicContact CG1-CD2 4.01Å; I135-L180 HydrophobicContact CG1-CG 4.19Å; L165-L180 HydrophobicContact CD1-CD2 4.11Å; R176-L180 WeakPolarHBondContact O-CB 3.34Å; R176-L180 PolarHBondContact O-N 3.04Å; G177-L180 PolarHBondContact O-N 3.33Å; L180-W182 PolarHBondContact O-N 3.18Å; L180-R183 PolarHBondContact O-N 3.05Å; L180-Y184 VanDerWaalsContact O-CB 3.31Å; L180-Y184 WeakPolarHBondContact O-CB 3.38Å; L180-Y184 PolarHBondContact O-N 3.38Å
181	L	97.5	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-45	177	179.8	59.5	0	0	0	111.6	I135 L162 L165 G177 R183 Y184 L185 F208 Y209 F212 F214	I135-L181 HydrophobicContact CD1-CB 4.46Å; I135-L181 HydrophobicContact CD1-CD1 4.24Å; L162-L181 HydrophobicContact CD2-CD1 3.9Å; L165-L181 HydrophobicContact CD2-CB 4.4Å; G177-L181 WeakPolarHBondContact O-CB 3.25Å; G177-L181 PolarHBondContact O-N 3.48Å; L181-R183 PolarHBondContact O-N 2.94Å; L181-Y184 PolarHBondContact O-N 3.25Å; L181-L185 HydrophobicContact CD1-CD1 4.43Å; L181-L185 HydrophobicContact CD1-CG 4.26Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 2.83Å; L181-F208 HydrophobicContact CD2-CE1 3.88Å; L181-F208 HydrophobicContact CD2-CZ 4.36Å; L181-Y209 HydrophobicContact CD2-CD1 3.76Å; L181-Y209 HydrophobicContact CD2-CE1 3.83Å; L181-F212 HydrophobicContact CB-CE1 4.34Å; L181-F212 HydrophobicContact CD2-CB 4.31Å; L181-F212 HydrophobicContact CD2-CD1 4.03Å; L181-F212 HydrophobicContact CD2-CD2 3.62Å; L181-F212 HydrophobicContact CD2-CE1 4.27Å; L181-F212 HydrophobicContact CD2-CE2 3.89Å; L181-F212 HydrophobicContact CD2-CG 3.71Å; L181-F212 HydrophobicContact CD2-CZ 4.22Å; L181-F212 HydrophobicContact CG-CD1 4.08Å; L181-F212 HydrophobicContact CG-CE1 4.36Å; L181-F212 HydrophobicContact CG-CG 4.19Å; L181-F214 HydrophobicContact CD1-CE2 4.44Å
182	W	95.9	Very high	92.6	Very high	93 Å²	93	48.9 Å²	48.9	35%	0.352	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-45.9	176.6	-177.3	84.2	0	0	0	112.2	P178 I179 L180 Y184 L185 H186 F212 F241	P178-W182 WeakPolarHBondContact O-CB 3.42Å; P178-W182 PolarHBondContact O-N 3.01Å; I179-W182 PolarHBondContact O-N 3.1Å; L180-W182 PolarHBondContact O-N 3.18Å; W182-Y184 VanDerWaalsContact C-N 3.31Å; W182-Y184 PolarHBondContact O-N 3.16Å; W182-L185 PolarHBondContact O-N 3.3Å; W182-H186 PolarHBondContact O-N 2.85Å; W182-H186 VanDerWaalsContact O-N 3.13Å; W182-F212 HydrophobicContact CB-CD1 4.36Å; W182-F212 HydrophobicContact CB-CE1 4.07Å; W182-F241 AromaticContact NE1-CD1 3.46Å; W182-F241 AromaticContact NE1-CE1 3.6Å
183	R	97.1	Very high	92.6	Very high	112 Å²	112	49.3 Å²	49.3	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-39.6	176.4	-77.9	-177.5	170	-85.7	1.8	111.8	F78 L123 I179 L180 L181 H186 H187	F78-R183 VanDerWaalsContact CE1-CD 3.45Å; L123-R183 HydrophobicContact CD2-CB 3.92Å; I179-R183 WeakPolarHBondContact O-CG 3.36Å; I179-R183 PolarHBondContact O-N 3.31Å; L180-R183 PolarHBondContact O-N 3.05Å; L181-R183 PolarHBondContact O-N 2.94Å; R183-H186 PolarHBondContact O-N 2.87Å; R183-H187 WeakPolarHBondContact O-CB 3.49Å; R183-H187 PolarHBondContact O-N 3.19Å
184	Y	97.9	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-43.9	178.7	-177.5	-105.6	0	0	0	112.2	L121 L123 I135 L162 L180 L181 W182 H186 H187 L188	L121-Y184 PolarHBondContact O-OH 3.2Å; L123-Y184 HydrophobicContact CB-CD2 3.73Å; L123-Y184 HydrophobicContact CB-CE2 4.48Å; L123-Y184 HydrophobicContact CD2-CD2 4.4Å; I135-Y184 HydrophobicContact CB-CD2 4.25Å; I135-Y184 HydrophobicContact CB-CE2 4.44Å; I135-Y184 HydrophobicContact CB-CG 4.33Å; I135-Y184 HydrophobicContact CD1-CD1 3.95Å; I135-Y184 HydrophobicContact CD1-CD2 4.43Å; I135-Y184 HydrophobicContact CD1-CG 3.73Å; I135-Y184 HydrophobicContact CG2-CD1 3.89Å; I135-Y184 HydrophobicContact CG2-CD2 4.03Å; I135-Y184 HydrophobicContact CG2-CE1 3.71Å; I135-Y184 HydrophobicContact CG2-CE2 3.86Å; I135-Y184 HydrophobicContact CG2-CG 4.03Å; L162-Y184 HydrophobicContact CD1-CE1 3.73Å; L162-Y184 HydrophobicContact CD2-CD1 3.96Å; L162-Y184 HydrophobicContact CD2-CE1 3.8Å; L162-Y184 HydrophobicContact CG-CD1 4.24Å; L162-Y184 HydrophobicContact CG-CE1 3.55Å; L180-Y184 VanDerWaalsContact O-CB 3.31Å; L180-Y184 WeakPolarHBondContact O-CB 3.38Å; L180-Y184 PolarHBondContact O-N 3.38Å; L181-Y184 PolarHBondContact O-N 3.25Å; W182-Y184 VanDerWaalsContact C-N 3.31Å; W182-Y184 PolarHBondContact O-N 3.16Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 2.82Å; Y184-H187 WeakPolarHBondContact O-CB 3.46Å; Y184-H187 PolarHBondContact O-N 3.14Å; Y184-L188 HydrophobicContact CD1-CD1 3.83Å; Y184-L188 HydrophobicContact CD1-CG 4.21Å; Y184-L188 HydrophobicContact CE1-CD1 3.3Å; Y184-L188 HydrophobicContact CE1-CD2 4.3Å; Y184-L188 HydrophobicContact CE1-CG 3.83Å; Y184-L188 HydrophobicContact CE2-CD2 4.27Å; Y184-L188 HydrophobicContact CE2-CG 4.31Å; Y184-L188 WeakPolarHBondContact O-CG 3.35Å; Y184-L188 PolarHBondContact O-N 2.86Å
185	L	96.6	Very high	93.4	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-37.7	175.3	-64.9	172.6	0	0	0	112.1	L181 W182 G189 A197 F212 F214 L236	L181-L185 HydrophobicContact CD1-CD1 4.43Å; L181-L185 HydrophobicContact CD1-CG 4.26Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 2.83Å; W182-L185 PolarHBondContact O-N 3.3Å; L185-G189 PolarHBondContact O-N 3.04Å; L185-A197 HydrophobicContact CD2-CB 3.87Å; L185-F212 HydrophobicContact CD1-CB 3.84Å; L185-F212 HydrophobicContact CD1-CD1 4.45Å; L185-F214 HydrophobicContact CD1-CE2 4.03Å; L185-F214 HydrophobicContact CD2-CE2 4.04Å; L185-F214 HydrophobicContact CD2-CZ 3.98Å; L185-L236 HydrophobicContact CB-CD2 4.33Å; L185-L236 HydrophobicContact CD2-CD2 4.07Å
186	H	94.2	Very high	93.7	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.398	25%	0.245	S	C	.	.	H	α-helix	trans	-66.1	-42.1	173.2	-175.8	-75.5	0	0	0	111.9	W182 R183 Y184 G189 S190	W182-H186 PolarHBondContact O-N 2.85Å; W182-H186 VanDerWaalsContact O-N 3.13Å; R183-H186 PolarHBondContact O-N 2.87Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 2.82Å; H186-G189 PolarHBondContact O-N 2.8Å; H186-S190 PolarHBondContact O-N 3.26Å
187	H	94.9	Very high	93.9	Very high	49 Å²	49	45 Å²	45	23%	0.227	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-48.1	174.7	174	71.5	0	0	0	111.3	E120 R183 Y184 G189 S190 Q191	E120-H187 PolarHBondContact O-NE2 2.92Å; R183-H187 WeakPolarHBondContact O-CB 3.49Å; R183-H187 PolarHBondContact O-N 3.19Å; Y184-H187 WeakPolarHBondContact O-CB 3.46Å; Y184-H187 PolarHBondContact O-N 3.14Å; H187-G189 VanDerWaalsContact C-N 3.34Å; H187-G189 PolarHBondContact O-N 2.84Å; H187-S190 WeakPolarHBondContact O-CB 3.48Å; H187-S190 PolarHBondContact O-N 2.68Å; H187-S190 VanDerWaalsContact O-N 3.15Å; H187-S190 PolarHBondContact O-OG 2.64Å; H187-Q191 PolarHBondContact NE2-NE2 2.62Å
188	L	94.8	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.8	-70.1	-178.8	0	0	0	112.7	L121 A160 Y184 S190 Q191 V194 A197 L236	L121-L188 HydrophobicContact CD2-CD2 3.58Å; A160-L188 HydrophobicContact CB-CD1 3.52Å; A160-L188 HydrophobicContact CB-CD2 3.81Å; A160-L188 HydrophobicContact CB-CG 4.27Å; Y184-L188 HydrophobicContact CD1-CD1 3.83Å; Y184-L188 HydrophobicContact CD1-CG 4.21Å; Y184-L188 HydrophobicContact CE1-CD1 3.3Å; Y184-L188 HydrophobicContact CE1-CD2 4.3Å; Y184-L188 HydrophobicContact CE1-CG 3.83Å; Y184-L188 HydrophobicContact CE2-CD2 4.27Å; Y184-L188 HydrophobicContact CE2-CG 4.31Å; Y184-L188 WeakPolarHBondContact O-CG 3.35Å; Y184-L188 PolarHBondContact O-N 2.86Å; L188-S190 PolarHBondContact O-N 2.99Å; L188-S190 VanDerWaalsContact O-N 3.14Å; L188-Q191 WeakPolarHBondContact O-CB 3.4Å; L188-Q191 PolarHBondContact O-N 3.37Å; L188-V194 HydrophobicContact CB-CG1 4.43Å; L188-A197 HydrophobicContact CD1-CB 4.25Å; L188-L236 HydrophobicContact CB-CD1 3.8Å; L188-L236 HydrophobicContact CD1-CD1 4.29Å
189	G	90.4	Very high	94.3	Very high	28 Å²	28	43.1 Å²	43.1	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-15	178	0	0	0	0	0	114.5	L185 H186 H187	L185-G189 PolarHBondContact O-N 3.04Å; H186-G189 PolarHBondContact O-N 2.8Å; H187-G189 VanDerWaalsContact C-N 3.34Å; H187-G189 PolarHBondContact O-N 2.84Å
190	S	87.9	Confident	94.3	Very high	85 Å²	85	42.3 Å²	42.3	59%	0.594	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.8	171.7	75.6	0	0	0	0	113.5	H186 H187 L188	H186-S190 PolarHBondContact O-N 3.26Å; H187-S190 WeakPolarHBondContact O-CB 3.48Å; H187-S190 PolarHBondContact O-N 2.68Å; H187-S190 VanDerWaalsContact O-N 3.15Å; H187-S190 PolarHBondContact O-OG 2.64Å; L188-S190 PolarHBondContact O-N 2.99Å; L188-S190 VanDerWaalsContact O-N 3.14Å
191	Q	87.3	Confident	94.1	Very high	34 Å²	34	42.6 Å²	42.6	16%	0.159	22%	0.223	C	C	.	.	S	Bend	trans	-87.8	122.4	179.5	-57.9	-170.1	19.5	0	0	110.3	E120 H187 L188 A193 V194	E120-Q191 PolarHBondContact O-NE2 3.04Å; H187-Q191 PolarHBondContact NE2-NE2 2.62Å; L188-Q191 WeakPolarHBondContact O-CB 3.4Å; L188-Q191 PolarHBondContact O-N 3.37Å; Q191-A193 PolarHBondContact O-N 3.44Å; Q191-V194 HydrophobicContact CB-CB 4.32Å; Q191-V194 HydrophobicContact CB-CG2 3.81Å; Q191-V194 PolarHBondContact O-N 3.01Å
192	P	85.2	Confident	93.7	Very high	127 Å²	127	43.8 Å²	43.8	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.4	-173	25.9	-34.7	0	0	0	113.7
193	A	88.5	Confident	93.5	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.2	-178.9	0	0	0	0	0	113.5	H158 Q191	H158-A193 WeakPolarHBondContact CA-O 3.3Å; H158-A193 PolarHBondContact ND1-O 3.31Å; Q191-A193 PolarHBondContact O-N 3.44Å
194	V	94.8	Very high	93.1	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.036	24%	0.241	C	C	.	.			trans	-99	114.5	-169.1	-170.1	0	0	0	0	110.3	L139 A160 L188 Q191 L236	L139-V194 HydrophobicContact CD2-CG2 3.91Å; A160-V194 HydrophobicContact CB-CG1 3.62Å; L188-V194 HydrophobicContact CB-CG1 4.43Å; Q191-V194 HydrophobicContact CB-CB 4.32Å; Q191-V194 HydrophobicContact CB-CG2 3.81Å; Q191-V194 PolarHBondContact O-N 3.01Å; V194-L236 HydrophobicContact CG1-CD1 3.67Å
195	H	94.2	Very high	92.7	Very high	72 Å²	72	42.2 Å²	42.2	33%	0.333	24%	0.244	S	C	.	.			trans	-104.3	-22.6	-179.2	-59.8	160.1	0	0	0	113	H158 L236 Q237	H158-H195 HydrophobicContact CB-CB 4.48Å; H158-H195 PolarHBondContact O-N 3.23Å; H195-L236 PolarHBondContact O-N 3.08Å; H195-Q237 PolarHBondContact CD2-NE2 3.21Å
196	R	96.1	Very high	92.7	Very high	91 Å²	91	42.2 Å²	42.2	34%	0.343	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	150.2	-174	-172.7	-177.2	-69.8	176.5	4.1	110	H158 I159 A160 H233 C234	H158-R196 PolarHBondContact O-N 3.1Å; I159-R196 CarbonylContact C-O 3.59Å; I159-R196 WeakPolarHBondContact CA-O 3.42Å; I159-R196 HydrophobicContact CG1-CB 4.3Å; A160-R196 PolarHBondContact N-O 2.94Å; R196-H233 HydrophobicContact CG-CB 4.33Å; R196-H233 PolarHBondContact NH1-ND1 2.9Å; R196-C234 CarbonylContact C-O 3.47Å; R196-C234 VanDerWaalsContact CA-O 3.25Å; R196-C234 WeakPolarHBondContact CA-O 3.29Å; R196-C234 WeakPolarHBondContact CG-O 3.4Å
197	A	98	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.7	163.8	0	0	0	0	0	109.8	A160 L162 L185 L188 F214 H233 C234 L236	A160-A197 CarbonylContact O-C 3.44Å; A160-A197 VanDerWaalsContact O-CA 3.31Å; A160-A197 WeakPolarHBondContact O-CA 3.31Å; L162-A197 HydrophobicContact CD1-CB 3.99Å; L185-A197 HydrophobicContact CD2-CB 3.87Å; L188-A197 HydrophobicContact CD1-CB 4.25Å; A197-F214 HydrophobicContact CB-CE1 4.12Å; A197-F214 HydrophobicContact CB-CZ 4Å; A197-H233 CarbonylContact O-C 3.51Å; A197-H233 WeakPolarHBondContact O-CA 3.46Å; A197-C234 HydrophobicContact CB-CB 4.38Å; A197-C234 PolarHBondContact N-O 3.49Å; A197-C234 PolarHBondContact O-N 3.23Å; A197-L236 HydrophobicContact CB-CD1 4.32Å
198	A	98.3	Very high	92.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.6	176	0	0	0	0	0	110.7	L145 I159 A160 H161 L162 L232 H233	L145-A198 HydrophobicContact CD1-CB 4.46Å; L145-A198 HydrophobicContact CD2-CB 4.22Å; L145-A198 HydrophobicContact CG-CB 4.43Å; I159-A198 HydrophobicContact CG2-CB 3.43Å; I159-A198 VanDerWaalsContact CG2-CB 3.43Å; A160-A198 PolarHBondContact O-N 3.13Å; H161-A198 CarbonylContact C-O 2.89Å; H161-A198 WeakPolarHBondContact CA-O 3.44Å; L162-A198 PolarHBondContact N-O 3.46Å; A198-L232 WeakPolarHBondContact CA-O 3.35Å; A198-H233 VanDerWaalsContact CB-CD2 3.42Å; A198-H233 WeakPolarHBondContact CB-CD2 3.48Å
199	L	97.9	Very high	92.7	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.8	172	64.3	85.2	0	0	0	109.9	L162 C201 Y209 F214 L232	L162-L199 HydrophobicContact CB-CB 4.11Å; L162-L199 HydrophobicContact CD2-CD2 4.23Å; L199-C201 HydrophobicContact CD1-CB 4.05Å; L199-Y209 HydrophobicContact CD1-CD1 4.4Å; L199-Y209 HydrophobicContact CD1-CD2 3.98Å; L199-Y209 HydrophobicContact CD1-CE1 4.34Å; L199-Y209 HydrophobicContact CD1-CE2 3.92Å; L199-Y209 HydrophobicContact CD1-CG 4.23Å; L199-Y209 HydrophobicContact CD2-CD1 3.55Å; L199-Y209 HydrophobicContact CD2-CE1 3.43Å; L199-Y209 VanDerWaalsContact CD2-CE1 3.43Å; L199-Y209 HydrophobicContact CD2-CE2 4.48Å; L199-Y209 HydrophobicContact CD2-CG 4.15Å; L199-F214 HydrophobicContact CD2-CD1 4.18Å; L199-F214 HydrophobicContact CD2-CE1 3.64Å; L199-F214 HydrophobicContact CD2-CE2 4.26Å; L199-F214 HydrophobicContact CD2-CZ 3.69Å; L199-F214 HydrophobicContact CG-CD1 4.28Å; L199-F214 HydrophobicContact CG-CE1 3.95Å; L199-F214 HydrophobicContact CG-CZ 4.48Å; L199-L232 HydrophobicContact CD1-CB 4.2Å; L199-L232 HydrophobicContact CD1-CD1 3.79Å; L199-L232 HydrophobicContact CG-CB 4.45Å; L199-L232 PolarHBondContact N-O 3.37Å; L199-L232 PolarHBondContact O-N 3.02Å
200	M	95.4	Very high	92.9	Very high	41 Å²	41	44.5 Å²	44.5	20%	0.202	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.4	166.9	65.2	178	-172.5	0	0	109.7	L145 L150 C220 I222 V224 F229 T230	L145-M200 HydrophobicContact CD1-CB 4.4Å; L150-M200 HydrophobicContact CD2-CE 3.67Å; M200-C220 HydrophobicContact CB-CB 4.27Å; M200-I222 HydrophobicContact CE-CB 4.49Å; M200-I222 HydrophobicContact CE-CD1 4.43Å; M200-I222 HydrophobicContact CE-CG2 3.77Å; M200-I222 HydrophobicContact SD-CB 3.65Å; M200-I222 HydrophobicContact SD-CD1 3.69Å; M200-I222 HydrophobicContact SD-CG1 4.25Å; M200-I222 HydrophobicContact SD-CG2 3.59Å; M200-I222 VanDerWaalsContact SD-CG2 3.59Å; M200-V224 HydrophobicContact CE-CG2 4.49Å; M200-F229 HydrophobicContact CB-CB 3.87Å; M200-F229 HydrophobicContact CB-CG 4.46Å; M200-F229 HydrophobicContact CE-CD2 4.38Å; M200-F229 HydrophobicContact CE-CE2 4.44Å; M200-F229 HydrophobicContact CG-CB 4.29Å; M200-F229 HydrophobicContact CG-CG 4.36Å; M200-F229 HydrophobicContact SD-CB 4.36Å; M200-F229 HydrophobicContact SD-CD2 3.95Å; M200-F229 HydrophobicContact SD-CG 4.19Å; M200-T230 WeakPolarHBondContact CA-O 2.96Å
201	C	92.8	Very high	93.2	Very high	6 Å²	6	46 Å²	46	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.6	174.8	75.5	0	0	0	0	111.5	L199 L205 Y209 F229 T230 L232	L199-C201 HydrophobicContact CD1-CB 4.05Å; C201-L205 HydrophobicContact CB-CB 4.06Å; C201-L205 HydrophobicContact CB-CD1 4.33Å; C201-Y209 HydrophobicContact CB-CD2 4.12Å; C201-Y209 HydrophobicContact CB-CE2 3.65Å; C201-F229 CarbonylContact O-C 3.47Å; C201-F229 WeakPolarHBondContact O-CA 3.12Å; C201-T230 PolarHBondContact N-O 3.18Å; C201-T230 PolarHBondContact O-N 2.89Å; C201-L232 HydrophobicContact CB-CD1 4.46Å; C201-L232 WeakPolarHBondContact SG-CD1 3.37Å
202	E	89.8	Confident	93.6	Very high	25 Å²	25	44.8 Å²	44.8	12%	0.117	24%	0.241	C	C	.	.			trans	-67.7	153.8	169.5	-63.7	-165.4	-169	0	0	111.3	W17 A204 L205 F229	W17-E202 VanDerWaalsContact CD1-CD 3.43Å; W17-E202 VanDerWaalsContact CE2-CD 3.46Å; W17-E202 HydrophobicContact CZ2-CG 4.27Å; W17-E202 VanDerWaalsContact CZ2-OE1 3.25Å; W17-E202 WeakPolarHBondContact CZ2-OE1 3.02Å; W17-E202 PolarHBondContact NE1-OE1 2.95Å; W17-E202 PolarHBondContact NE1-OE2 3.45Å; E202-A204 PolarHBondContact O-N 3.39Å; E202-A204 VanDerWaalsContact O-N 3.11Å; E202-L205 WeakPolarHBondContact O-CB 3.26Å; E202-L205 PolarHBondContact O-N 2.78Å; E202-F229 HydrophobicContact CG-CD1 4.03Å; E202-F229 HydrophobicContact CG-CE1 4.01Å
203	D	90.9	Very high	94	Very high	103 Å²	103	39.4 Å²	39.4	55%	0.551	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-56.4	-34.3	-174	-63.5	-16.8	0	0	0	113.1	L205 V206 T230	D203-L205 PolarHBondContact O-N 2.89Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-V206 WeakPolarHBondContact O-CB 3.25Å; D203-V206 PolarHBondContact O-N 3.14Å; D203-T230 PolarHBondContact OD1-OG1 2.82Å
204	A	89.1	Confident	94.5	Very high	59 Å²	59	37.4 Å²	37.4	49%	0.488	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.1	-21.7	177.8	0	0	0	0	0	113.6	E202	E202-A204 PolarHBondContact O-N 3.39Å; E202-A204 VanDerWaalsContact O-N 3.11Å
205	L	90.4	Very high	94.6	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-98	-9.2	-178.7	-63.3	173	0	0	0	113.2	W17 L21 C201 E202 D203 F208 Y209	W17-L205 HydrophobicContact CD2-CD1 4.48Å; W17-L205 HydrophobicContact CE3-CD1 3.94Å; W17-L205 HydrophobicContact CZ3-CD1 4.39Å; L21-L205 HydrophobicContact CB-CD2 4.19Å; L21-L205 HydrophobicContact CD1-CD1 3.48Å; L21-L205 VanDerWaalsContact CD1-CD1 3.48Å; L21-L205 HydrophobicContact CD1-CD2 3.56Å; L21-L205 HydrophobicContact CD1-CG 4.04Å; L21-L205 HydrophobicContact CG-CD2 4.41Å; C201-L205 HydrophobicContact CB-CB 4.06Å; C201-L205 HydrophobicContact CB-CD1 4.33Å; E202-L205 WeakPolarHBondContact O-CB 3.26Å; E202-L205 PolarHBondContact O-N 2.78Å; D203-L205 PolarHBondContact O-N 2.89Å; D203-L205 VanDerWaalsContact O-N 3.15Å; L205-F208 VanDerWaalsContact O-CB 3.29Å; L205-F208 WeakPolarHBondContact O-CB 3.32Å; L205-F208 PolarHBondContact O-N 3.14Å; L205-Y209 HydrophobicContact CB-CD2 4.31Å; L205-Y209 HydrophobicContact CB-CE2 4.08Å; L205-Y209 VanDerWaalsContact O-CD2 3.3Å; L205-Y209 WeakPolarHBondContact O-CD2 3.45Å; L205-Y209 PolarHBondContact O-N 3.44Å
206	V	95	Very high	94.8	Very high	17 Å²	17	42 Å²	42	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-53.3	-49.2	177.6	172.2	0	0	0	0	111.5	D203 F208 Y209 E210 A216 T230 L232	D203-V206 WeakPolarHBondContact O-CB 3.25Å; D203-V206 PolarHBondContact O-N 3.14Å; V206-F208 PolarHBondContact O-N 3.44Å; V206-F208 VanDerWaalsContact O-N 3.13Å; V206-Y209 PolarHBondContact O-N 2.97Å; V206-Y209 VanDerWaalsContact O-N 3.09Å; V206-E210 HydrophobicContact CG1-CG 4.14Å; V206-E210 WeakPolarHBondContact O-CG 3.33Å; V206-E210 PolarHBondContact O-N 2.92Å; V206-A216 HydrophobicContact CG1-CB 4.26Å; V206-T230 HydrophobicContact CG2-CG2 3.92Å; V206-L232 HydrophobicContact CB-CD2 4.44Å; V206-L232 HydrophobicContact CG1-CD2 4.12Å; V206-L232 HydrophobicContact CG2-CD1 4.29Å; V206-L232 HydrophobicContact CG2-CD2 4.35Å
207	P	95.5	Very high	94.8	Very high	77 Å²	77	41.7 Å²	41.7	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-24.6	179.4	-22	34.3	0	0	0	113.7
208	F	92.8	Very high	94.7	Very high	21 Å²	21	43 Å²	43	9%	0.092	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-48.3	175.2	164.5	-85.9	0	0	0	110.5	P178 L181 L205 V206 R211 F212	P178-F208 HydrophobicContact CG-CE2 3.85Å; P178-F208 HydrophobicContact CG-CZ 4.31Å; L181-F208 HydrophobicContact CD2-CE1 3.88Å; L181-F208 HydrophobicContact CD2-CZ 4.36Å; L205-F208 VanDerWaalsContact O-CB 3.29Å; L205-F208 WeakPolarHBondContact O-CB 3.32Å; L205-F208 PolarHBondContact O-N 3.14Å; V206-F208 PolarHBondContact O-N 3.44Å; V206-F208 VanDerWaalsContact O-N 3.13Å; F208-R211 PolarHBondContact O-NE 2.78Å; F208-F212 HydrophobicContact CE1-CE2 4.11Å; F208-F212 HydrophobicContact CE2-CE2 4.27Å; F208-F212 AromaticContact CZ-CE2 3.93Å; F208-F212 HydrophobicContact CZ-CE2 3.93Å; F208-F212 HydrophobicContact CZ-CZ 4.43Å; F208-F212 WeakPolarHBondContact O-CD2 3.08Å; F208-F212 WeakPolarHBondContact O-CE2 3.21Å
209	Y	96.3	Very high	94.6	Very high	17 Å²	17	48.4 Å²	48.4	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-74.2	-32.9	-176.6	-72.2	-67.5	0	0	0	112.6	L165 L181 L199 C201 L205 V206 R211 F212 F214	L165-Y209 HydrophobicContact CD2-CE1 4.44Å; L181-Y209 HydrophobicContact CD2-CD1 3.76Å; L181-Y209 HydrophobicContact CD2-CE1 3.83Å; L199-Y209 HydrophobicContact CD1-CD1 4.4Å; L199-Y209 HydrophobicContact CD1-CD2 3.98Å; L199-Y209 HydrophobicContact CD1-CE1 4.34Å; L199-Y209 HydrophobicContact CD1-CE2 3.92Å; L199-Y209 HydrophobicContact CD1-CG 4.23Å; L199-Y209 HydrophobicContact CD2-CD1 3.55Å; L199-Y209 HydrophobicContact CD2-CE1 3.43Å; L199-Y209 VanDerWaalsContact CD2-CE1 3.43Å; L199-Y209 HydrophobicContact CD2-CE2 4.48Å; L199-Y209 HydrophobicContact CD2-CG 4.15Å; C201-Y209 HydrophobicContact CB-CD2 4.12Å; C201-Y209 HydrophobicContact CB-CE2 3.65Å; L205-Y209 HydrophobicContact CB-CD2 4.31Å; L205-Y209 HydrophobicContact CB-CE2 4.08Å; L205-Y209 VanDerWaalsContact O-CD2 3.3Å; L205-Y209 WeakPolarHBondContact O-CD2 3.45Å; L205-Y209 PolarHBondContact O-N 3.44Å; V206-Y209 PolarHBondContact O-N 2.97Å; V206-Y209 VanDerWaalsContact O-N 3.09Å; Y209-R211 PolarHBondContact O-N 3.24Å; Y209-R211 VanDerWaalsContact O-N 3.14Å; Y209-F212 WeakPolarHBondContact O-CB 3.34Å; Y209-F212 PolarHBondContact O-N 2.95Å; Y209-F214 HydrophobicContact CD1-CD2 4.38Å; Y209-F214 HydrophobicContact CD1-CE2 4.47Å; Y209-F214 WeakPolarHBondContact O-CB 3.3Å; Y209-F214 WeakPolarHBondContact O-CD2 3.48Å; Y209-F214 PolarHBondContact O-N 3.29Å
210	E	95.8	Very high	94.5	Very high	95 Å²	95	48.9 Å²	48.9	44%	0.444	28%	0.276	S	S	.	.	H	α-helix	trans	-56.9	-30.9	176.4	-73.8	179.9	145.6	0	0	112.9	V206 F212 G213 F214	V206-E210 HydrophobicContact CG1-CG 4.14Å; V206-E210 WeakPolarHBondContact O-CG 3.33Å; V206-E210 PolarHBondContact O-N 2.92Å; E210-F212 PolarHBondContact O-N 3.02Å; E210-F212 VanDerWaalsContact O-N 3.14Å; E210-G213 PolarHBondContact O-N 3.09Å; E210-F214 WeakPolarHBondContact CA-O 3.35Å
211	R	93.6	Very high	94.4	Very high	117 Å²	117	50.4 Å²	50.4	44%	0.442	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	175	-63.3	-177.5	-60.9	-173.1	1	114	F208 Y209	F208-R211 PolarHBondContact O-NE 2.78Å; Y209-R211 PolarHBondContact O-N 3.24Å; Y209-R211 VanDerWaalsContact O-N 3.14Å
212	F	94.4	Very high	94.2	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.4	177.2	-61.7	-91.6	0	0	0	112.7	P178 L181 W182 L185 F208 Y209 E210 F214	P178-F212 HydrophobicContact CB-CZ 3.82Å; P178-F212 VanDerWaalsContact O-CE1 3.26Å; P178-F212 WeakPolarHBondContact O-CE1 3.29Å; L181-F212 HydrophobicContact CB-CE1 4.34Å; L181-F212 HydrophobicContact CD2-CB 4.31Å; L181-F212 HydrophobicContact CD2-CD1 4.03Å; L181-F212 HydrophobicContact CD2-CD2 3.62Å; L181-F212 HydrophobicContact CD2-CE1 4.27Å; L181-F212 HydrophobicContact CD2-CE2 3.89Å; L181-F212 HydrophobicContact CD2-CG 3.71Å; L181-F212 HydrophobicContact CD2-CZ 4.22Å; L181-F212 HydrophobicContact CG-CD1 4.08Å; L181-F212 HydrophobicContact CG-CE1 4.36Å; L181-F212 HydrophobicContact CG-CG 4.19Å; W182-F212 HydrophobicContact CB-CD1 4.36Å; W182-F212 HydrophobicContact CB-CE1 4.07Å; L185-F212 HydrophobicContact CD1-CB 3.84Å; L185-F212 HydrophobicContact CD1-CD1 4.45Å; F208-F212 HydrophobicContact CE1-CE2 4.11Å; F208-F212 HydrophobicContact CE2-CE2 4.27Å; F208-F212 AromaticContact CZ-CE2 3.93Å; F208-F212 HydrophobicContact CZ-CE2 3.93Å; F208-F212 HydrophobicContact CZ-CZ 4.43Å; F208-F212 WeakPolarHBondContact O-CD2 3.08Å; F208-F212 WeakPolarHBondContact O-CE2 3.21Å; Y209-F212 WeakPolarHBondContact O-CB 3.34Å; Y209-F212 PolarHBondContact O-N 2.95Å; E210-F212 PolarHBondContact O-N 3.02Å; E210-F212 VanDerWaalsContact O-N 3.14Å; F212-F214 HydrophobicContact CB-CD2 4.07Å; F212-F214 HydrophobicContact CB-CE2 4.33Å
213	G	95.4	Very high	93.9	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	15.2	-178.4	0	0	0	0	0	114.1	E210 C234	E210-G213 PolarHBondContact O-N 3.09Å; G213-C234 WeakPolarHBondContact O-CA 3.49Å; G213-C234 PolarHBondContact O-SG 2.95Å; G213-C234 VanDerWaalsContact O-SG 3.37Å
214	F	97.6	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.7	166.9	-74.8	-93.1	0	0	0	110.7	L181 L185 A197 L199 Y209 E210 F212 L232 H233 C234	L181-F214 HydrophobicContact CD1-CE2 4.44Å; L185-F214 HydrophobicContact CD1-CE2 4.03Å; L185-F214 HydrophobicContact CD2-CE2 4.04Å; L185-F214 HydrophobicContact CD2-CZ 3.98Å; A197-F214 HydrophobicContact CB-CE1 4.12Å; A197-F214 HydrophobicContact CB-CZ 4Å; L199-F214 HydrophobicContact CD2-CD1 4.18Å; L199-F214 HydrophobicContact CD2-CE1 3.64Å; L199-F214 HydrophobicContact CD2-CE2 4.26Å; L199-F214 HydrophobicContact CD2-CZ 3.69Å; L199-F214 HydrophobicContact CG-CD1 4.28Å; L199-F214 HydrophobicContact CG-CE1 3.95Å; L199-F214 HydrophobicContact CG-CZ 4.48Å; Y209-F214 HydrophobicContact CD1-CD2 4.38Å; Y209-F214 HydrophobicContact CD1-CE2 4.47Å; Y209-F214 WeakPolarHBondContact O-CB 3.3Å; Y209-F214 WeakPolarHBondContact O-CD2 3.48Å; Y209-F214 PolarHBondContact O-N 3.29Å; E210-F214 WeakPolarHBondContact CA-O 3.35Å; F212-F214 HydrophobicContact CB-CD2 4.07Å; F212-F214 HydrophobicContact CB-CE2 4.33Å; F214-L232 HydrophobicContact CB-CB 4.12Å; F214-L232 HydrophobicContact CB-CD2 4.08Å; F214-L232 HydrophobicContact CD1-CB 3.96Å; F214-L232 HydrophobicContact CG-CB 4.44Å; F214-H233 CarbonylContact C-O 3.58Å; F214-H233 VanDerWaalsContact CA-O 3.3Å; F214-H233 WeakPolarHBondContact CA-O 3.42Å; F214-C234 HydrophobicContact CB-CB 4.42Å; F214-C234 HydrophobicContact CD1-CB 3.6Å; F214-C234 HydrophobicContact CD2-CB 3.86Å; F214-C234 HydrophobicContact CE1-CB 3.66Å; F214-C234 HydrophobicContact CE2-CB 3.94Å; F214-C234 HydrophobicContact CG-CB 3.7Å; F214-C234 HydrophobicContact CZ-CB 3.84Å
215	H	97.6	Very high	92.9	Very high	126 Å²	126	51 Å²	51	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.1	174.8	-63	-66.3	0	0	0	109.4	M217 L232 H233	H215-M217 PolarHBondContact O-N 3.13Å; H215-L232 VanDerWaalsContact O-CA 3.3Å; H215-L232 WeakPolarHBondContact O-CA 3.26Å; H215-H233 PolarHBondContact N-O 2.97Å; H215-H233 PolarHBondContact O-N 3Å
216	A	97.4	Very high	92.5	Very high	50 Å²	50	56.4 Å²	56.4	41%	0.413	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.7	176.8	0	0	0	0	0	111	V206 T230	V206-A216 HydrophobicContact CG1-CB 4.26Å; A216-T230 HydrophobicContact CB-CG2 3.9Å
217	M	97.1	Very high	91.9	Very high	84 Å²	84	57.1 Å²	57.1	41%	0.414	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-0.2	176.9	-55.6	-59.3	-61	0	0	112	R144 H215 E231 H233	R144-M217 PolarHBondContact NH1-O 3.01Å; H215-M217 PolarHBondContact O-N 3.13Å; M217-E231 HydrophobicContact CB-CB 4.4Å; M217-E231 PolarHBondContact N-O 3.11Å; M217-H233 HydrophobicContact CG-CB 4Å; M217-H233 HydrophobicContact SD-CB 4.03Å
218	G	95.5	Very high	91.5	Very high	26 Å²	26	57.8 Å²	57.8	27%	0.268	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-167.7	-174.3	0	0	0	0	0	113.2	C220 E231	G218-C220 PolarHBondContact O-N 3.05Å; G218-E231 PolarHBondContact O-N 3.19Å
219	P	96.3	Very high	91.5	Very high	114 Å²	114	57.7 Å²	57.7	74%	0.74	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	136.5	-178	-25	34.3	0	0	0	112	R144	R144-P219 PolarHBondContact NH2-O 3.23Å
220	C	95.1	Very high	91.5	Very high	15 Å²	15	57.8 Å²	57.8	10%	0.101	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	144.5	173.7	-166.3	0	0	0	0	110.2	M200 G218 I222 F229 E231	M200-C220 HydrophobicContact CB-CB 4.27Å; G218-C220 PolarHBondContact O-N 3.05Å; C220-I222 PolarHBondContact O-N 3.45Å; C220-F229 HydrophobicContact CB-CB 4.21Å; C220-F229 WeakPolarHBondContact CB-O 3.42Å; C220-F229 PolarHBondContact N-O 2.73Å; C220-E231 HydrophobicContact CB-CB 3.97Å
221	A	93.9	Very high	91.6	Very high	72 Å²	72	53.2 Å²	53.2	60%	0.595	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-13.4	176	0	0	0	0	0	113
222	I	89.5	Confident	91.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.2	179.7	-63	169.9	0	0	0	109.9	L145 M146 L150 M200 C220 V224	L145-I222 HydrophobicContact CB-CD1 3.8Å; M146-I222 VanDerWaalsContact C-CG1 3.4Å; M146-I222 WeakPolarHBondContact O-CD1 3.21Å; M146-I222 WeakPolarHBondContact O-CG1 3.43Å; L150-I222 HydrophobicContact CD1-CG2 3.76Å; L150-I222 HydrophobicContact CD2-CD1 3.99Å; L150-I222 HydrophobicContact CD2-CG2 4.2Å; L150-I222 HydrophobicContact CG-CD1 4.16Å; L150-I222 HydrophobicContact CG-CG2 4.19Å; M200-I222 HydrophobicContact CE-CB 4.49Å; M200-I222 HydrophobicContact CE-CD1 4.43Å; M200-I222 HydrophobicContact CE-CG2 3.77Å; M200-I222 HydrophobicContact SD-CB 3.65Å; M200-I222 HydrophobicContact SD-CD1 3.69Å; M200-I222 HydrophobicContact SD-CG1 4.25Å; M200-I222 HydrophobicContact SD-CG2 3.59Å; M200-I222 VanDerWaalsContact SD-CG2 3.59Å; C220-I222 PolarHBondContact O-N 3.45Å; I222-V224 HydrophobicContact CG2-CG2 4.33Å
223	T	82.4	Confident	92	Very high	83 Å²	83	47.7 Å²	47.7	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.9	170.7	56.4	0	0	0	0	110.2	Q147	Q147-T223 PolarHBondContact NE2-O 2.72Å
224	V	79.4	Confident	92.1	Very high	42 Å²	42	47.1 Å²	47.1	26%	0.255	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	102.1	175.8	-178.5	0	0	0	0	107.5	V103 M200 I222 S226 L227 F229	V103-V224 HydrophobicContact CG2-CG1 3.84Å; M200-V224 HydrophobicContact CE-CG2 4.49Å; I222-V224 HydrophobicContact CG2-CG2 4.33Å; V224-S226 PolarHBondContact O-N 2.8Å; V224-L227 VanDerWaalsContact O-CB 3.32Å; V224-L227 WeakPolarHBondContact O-CB 3.25Å; V224-L227 PolarHBondContact O-N 2.8Å; V224-F229 HydrophobicContact CB-CE2 3.96Å; V224-F229 HydrophobicContact CB-CZ 4.23Å; V224-F229 HydrophobicContact CG2-CE2 3.87Å; V224-F229 HydrophobicContact CG2-CZ 4.34Å
225	G	80.9	Confident	91.9	Very high	81 Å²	81	50 Å²	50	84%	0.835	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-121.1	-169.4	0	0	0	0	0	111
226	S	80.6	Confident	91.5	Very high	125 Å²	125	44.8 Å²	44.8	87%	0.874	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	8.5	176	63.6	0	0	0	0	113.8	V224	V224-S226 PolarHBondContact O-N 2.8Å
227	L	82	Confident	90.3	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.3	-177.2	-57.1	170.8	0	0	0	110.8	L101 V224 F229	L101-L227 HydrophobicContact CB-CD1 4.48Å; L101-L227 HydrophobicContact CD1-CD1 4.11Å; L101-L227 HydrophobicContact CD2-CD1 3.86Å; L101-L227 HydrophobicContact CG-CD1 4.36Å; V224-L227 VanDerWaalsContact O-CB 3.32Å; V224-L227 WeakPolarHBondContact O-CB 3.25Å; V224-L227 PolarHBondContact O-N 2.8Å; L227-F229 HydrophobicContact CB-CE1 4.36Å; L227-F229 HydrophobicContact CB-CE2 3.95Å; L227-F229 HydrophobicContact CB-CZ 3.64Å; L227-F229 HydrophobicContact CD1-CZ 4.17Å
228	S	87.7	Confident	88.5	Confident	91 Å²	91	48 Å²	48	64%	0.636	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.4	174.2	57.1	0	0	0	0	109.8
229	F	92.7	Very high	86.4	Confident	18 Å²	18	49.1 Å²	49.1	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.2	-177	-53.5	-81.3	0	0	0	110.8	M200 C201 E202 C220 V224 L227	M200-F229 HydrophobicContact CB-CB 3.87Å; M200-F229 HydrophobicContact CB-CG 4.46Å; M200-F229 HydrophobicContact CE-CD2 4.38Å; M200-F229 HydrophobicContact CE-CE2 4.44Å; M200-F229 HydrophobicContact CG-CB 4.29Å; M200-F229 HydrophobicContact CG-CG 4.36Å; M200-F229 HydrophobicContact SD-CB 4.36Å; M200-F229 HydrophobicContact SD-CD2 3.95Å; M200-F229 HydrophobicContact SD-CG 4.19Å; C201-F229 CarbonylContact O-C 3.47Å; C201-F229 WeakPolarHBondContact O-CA 3.12Å; E202-F229 HydrophobicContact CG-CD1 4.03Å; E202-F229 HydrophobicContact CG-CE1 4.01Å; C220-F229 HydrophobicContact CB-CB 4.21Å; C220-F229 WeakPolarHBondContact CB-O 3.42Å; C220-F229 PolarHBondContact N-O 2.73Å; V224-F229 HydrophobicContact CB-CE2 3.96Å; V224-F229 HydrophobicContact CB-CZ 4.23Å; V224-F229 HydrophobicContact CG2-CE2 3.87Å; V224-F229 HydrophobicContact CG2-CZ 4.34Å; L227-F229 HydrophobicContact CB-CE1 4.36Å; L227-F229 HydrophobicContact CB-CE2 3.95Å; L227-F229 HydrophobicContact CB-CZ 3.64Å; L227-F229 HydrophobicContact CD1-CZ 4.17Å
230	T	96.4	Very high	84.1	Confident	19 Å²	19	48.2 Å²	48.2	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.7	163.7	-73.2	0	0	0	0	108.5	M200 C201 D203 V206 A216 L232	M200-T230 WeakPolarHBondContact CA-O 2.96Å; C201-T230 PolarHBondContact N-O 3.18Å; C201-T230 PolarHBondContact O-N 2.89Å; D203-T230 PolarHBondContact OD1-OG1 2.82Å; V206-T230 HydrophobicContact CG2-CG2 3.92Å; A216-T230 HydrophobicContact CB-CG2 3.9Å; T230-L232 HydrophobicContact CG2-CD1 4.17Å; T230-L232 HydrophobicContact CG2-CG 4.47Å; T230-L232 VanDerWaalsContact O-CD1 3.26Å; T230-L232 WeakPolarHBondContact O-CD1 3.3Å
231	E	98.1	Very high	81.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.5	174.7	-172	170.7	146.3	0	0	110	R144 L145 M217 G218 C220 H233	R144-E231 VanDerWaalsContact CA-OE1 3.25Å; R144-E231 WeakPolarHBondContact CA-OE1 3.42Å; R144-E231 WeakPolarHBondContact CD-OE1 3.31Å; R144-E231 VanDerWaalsContact CZ-CD 3.49Å; R144-E231 IonicContact CZ-OE1 2.92Å; R144-E231 IonicContact CZ-OE2 3.45Å; R144-E231 IonicContact NE-OE1 3.93Å; R144-E231 PolarHBondContact NE-OE1 2.9Å; R144-E231 IonicContact NE-OE2 3.55Å; R144-E231 PolarHBondContact NE-OE2 2.78Å; R144-E231 VanDerWaalsContact NH2-CD 3.32Å; R144-E231 IonicContact NH2-OE1 2.73Å; R144-E231 IonicContact NH2-OE2 3.2Å; R144-E231 PolarHBondContact NH2-OE2 3.15Å; L145-E231 HydrophobicContact CD1-CG 4.15Å; L145-E231 HydrophobicContact CG-CG 4.24Å; L145-E231 PolarHBondContact N-OE1 3.04Å; L145-E231 PolarHBondContact N-OE2 3.04Å; M217-E231 HydrophobicContact CB-CB 4.4Å; M217-E231 PolarHBondContact N-O 3.11Å; G218-E231 PolarHBondContact O-N 3.19Å; C220-E231 HydrophobicContact CB-CB 3.97Å; E231-H233 IonicContact OE1-CE1 2.71Å; E231-H233 IonicContact OE1-NE2 3.62Å; E231-H233 PolarHBondContact OE1-NE2 3.23Å
232	L	98.4	Very high	79.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.1	-177.5	-63.3	92.2	0	0	0	111.6	A198 L199 C201 V206 F214 H215 T230	A198-L232 WeakPolarHBondContact CA-O 3.35Å; L199-L232 HydrophobicContact CD1-CB 4.2Å; L199-L232 HydrophobicContact CD1-CD1 3.79Å; L199-L232 HydrophobicContact CG-CB 4.45Å; L199-L232 PolarHBondContact N-O 3.37Å; L199-L232 PolarHBondContact O-N 3.02Å; C201-L232 HydrophobicContact CB-CD1 4.46Å; C201-L232 WeakPolarHBondContact SG-CD1 3.37Å; V206-L232 HydrophobicContact CB-CD2 4.44Å; V206-L232 HydrophobicContact CG1-CD2 4.12Å; V206-L232 HydrophobicContact CG2-CD1 4.29Å; V206-L232 HydrophobicContact CG2-CD2 4.35Å; F214-L232 HydrophobicContact CB-CB 4.12Å; F214-L232 HydrophobicContact CB-CD2 4.08Å; F214-L232 HydrophobicContact CD1-CB 3.96Å; F214-L232 HydrophobicContact CG-CB 4.44Å; H215-L232 VanDerWaalsContact O-CA 3.3Å; H215-L232 WeakPolarHBondContact O-CA 3.26Å; T230-L232 HydrophobicContact CG2-CD1 4.17Å; T230-L232 HydrophobicContact CG2-CG 4.47Å; T230-L232 VanDerWaalsContact O-CD1 3.26Å; T230-L232 WeakPolarHBondContact O-CD1 3.3Å
233	H	98	Very high	77.5	Confident	10 Å²	10	63 Å²	63	5%	0.046	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	178.8	-73.2	175.9	0	0	0	112.6	D143 R196 A197 A198 F214 H215 M217 E231	D143-H233 PolarHBondContact O-CE1 2.87Å; R196-H233 HydrophobicContact CG-CB 4.33Å; R196-H233 PolarHBondContact NH1-ND1 2.9Å; A197-H233 CarbonylContact O-C 3.51Å; A197-H233 WeakPolarHBondContact O-CA 3.46Å; A198-H233 VanDerWaalsContact CB-CD2 3.42Å; A198-H233 WeakPolarHBondContact CB-CD2 3.48Å; F214-H233 CarbonylContact C-O 3.58Å; F214-H233 VanDerWaalsContact CA-O 3.3Å; F214-H233 WeakPolarHBondContact CA-O 3.42Å; H215-H233 PolarHBondContact N-O 2.97Å; H215-H233 PolarHBondContact O-N 3Å; M217-H233 HydrophobicContact CG-CB 4Å; M217-H233 HydrophobicContact SD-CB 4.03Å; E231-H233 IonicContact OE1-CE1 2.71Å; E231-H233 IonicContact OE1-NE2 3.62Å; E231-H233 PolarHBondContact OE1-NE2 3.23Å
234	C	96.7	Very high	75.8	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.014	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124	172.3	179.2	0	0	0	0	109.7	R196 A197 G213 F214	R196-C234 CarbonylContact C-O 3.47Å; R196-C234 VanDerWaalsContact CA-O 3.25Å; R196-C234 WeakPolarHBondContact CA-O 3.29Å; R196-C234 WeakPolarHBondContact CG-O 3.4Å; A197-C234 HydrophobicContact CB-CB 4.38Å; A197-C234 PolarHBondContact N-O 3.49Å; A197-C234 PolarHBondContact O-N 3.23Å; G213-C234 WeakPolarHBondContact O-CA 3.49Å; G213-C234 PolarHBondContact O-SG 2.95Å; G213-C234 VanDerWaalsContact O-SG 3.37Å; F214-C234 HydrophobicContact CB-CB 4.42Å; F214-C234 HydrophobicContact CD1-CB 3.6Å; F214-C234 HydrophobicContact CD2-CB 3.86Å; F214-C234 HydrophobicContact CE1-CB 3.66Å; F214-C234 HydrophobicContact CE2-CB 3.94Å; F214-C234 HydrophobicContact CG-CB 3.7Å; F214-C234 HydrophobicContact CZ-CB 3.84Å
235	S	94.8	Very high	74	Confident	60 Å²	60	75.8 Å²	75.8	42%	0.42	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.3	171.8	-175.7	0	0	0	0	109.8	H239	S235-H239 PolarHBondContact O-CD2 2.66Å; S235-H239 VanDerWaalsContact O-CD2 3.23Å
236	L	89.8	Confident	72.1	Confident	17 Å²	17	77 Å²	77	9%	0.089	42%	0.421	C	S	.	.			trans	-102.5	-18.2	176.8	-60.1	170.1	0	0	0	112	L185 L188 V194 H195 A197	L185-L236 HydrophobicContact CB-CD2 4.33Å; L185-L236 HydrophobicContact CD2-CD2 4.07Å; L188-L236 HydrophobicContact CB-CD1 3.8Å; L188-L236 HydrophobicContact CD1-CD1 4.29Å; V194-L236 HydrophobicContact CG1-CD1 3.67Å; H195-L236 PolarHBondContact O-N 3.08Å; A197-L236 HydrophobicContact CB-CD1 4.32Å
237	Q	72.1	Confident	70	Confident	125 Å²	125	74.6 Å²	74.6	58%	0.584	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	126.9	171.5	-74.8	-173.5	-6.1	0	0	111.1	H195 H239	H195-Q237 PolarHBondContact CD2-NE2 3.21Å; Q237-H239 PolarHBondContact O-N 2.81Å
238	G	58.3	Low	67.8	Low	75 Å²	75	83 Å²	83	77%	0.773	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	8	170.1	0	0	0	0	0	116
239	H	52.3	Low	66.8	Low	51 Å²	51	82.7 Å²	82.7	24%	0.236	47%	0.468	C	S	.	.			trans	-67.4	130.4	179.8	-122.1	-77.2	0	0	0	111.3	S235 Q237 F241 L242	S235-H239 PolarHBondContact O-CD2 2.66Å; S235-H239 VanDerWaalsContact O-CD2 3.23Å; Q237-H239 PolarHBondContact O-N 2.81Å; H239-F241 HydrophobicContact CB-CD2 3.98Å; H239-F241 AromaticContact CE1-CD2 3.76Å; H239-F241 AromaticContact CE1-CE2 3.34Å; H239-F241 WeakPolarHBondContact CE1-CE2 3.41Å; H239-F241 AromaticContact CG-CD2 3.61Å; H239-F241 AromaticContact ND1-CD2 3.01Å; H239-F241 WeakPolarHBondContact ND1-CD2 3.48Å; H239-F241 AromaticContact ND1-CE2 3.08Å; H239-F241 WeakPolarHBondContact ND1-CE2 3.39Å; H239-F241 PolarHBondContact O-N 3.45Å; H239-L242 PolarHBondContact O-N 3.07Å
240	P	47.1	Very low	65.4	Low	94 Å²	94	86.1 Å²	86.1	61%	0.61	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-62.9	-6	177.8	22.6	-32.5	0	0	0	114.1	L242 R243	P240-L242 PolarHBondContact O-N 3.25Å; P240-R243 PolarHBondContact O-N 3.19Å
241	F	48.6	Very low	63.7	Low	88 Å²	88	89.8 Å²	89.8	39%	0.386	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-58.5	-30.8	170.9	-66.5	-62.3	0	0	0	112.7	W182 H239 R243	W182-F241 AromaticContact NE1-CD1 3.46Å; W182-F241 AromaticContact NE1-CE1 3.6Å; H239-F241 HydrophobicContact CB-CD2 3.98Å; H239-F241 AromaticContact CE1-CD2 3.76Å; H239-F241 AromaticContact CE1-CE2 3.34Å; H239-F241 WeakPolarHBondContact CE1-CE2 3.41Å; H239-F241 AromaticContact CG-CD2 3.61Å; H239-F241 AromaticContact ND1-CD2 3.01Å; H239-F241 WeakPolarHBondContact ND1-CD2 3.48Å; H239-F241 AromaticContact ND1-CE2 3.08Å; H239-F241 WeakPolarHBondContact ND1-CE2 3.39Å; H239-F241 PolarHBondContact O-N 3.45Å; F241-R243 VanDerWaalsContact C-N 3.35Å
242	L	47.4	Very low	61.7	Low	102 Å²	102	95.1 Å²	95.1	53%	0.534	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-78.9	-15.1	175.7	-71.4	162	0	0	0	113.3	H239 P240	H239-L242 PolarHBondContact O-N 3.07Å; P240-L242 PolarHBondContact O-N 3.25Å
243	R	44.9	Very low	59.4	Low	207 Å²	207	101 Å²	101	78%	0.781	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-99.9	9	-169.3	-78.3	-128	-170.1	-136.7	4.2	115.4	P240 F241	P240-R243 PolarHBondContact O-N 3.19Å; F241-R243 VanDerWaalsContact C-N 3.35Å
244	R	46.7	Very low	56.8	Low	226 Å²	226	107.1 Å²	107.1	85%	0.853	61%	0.608	S	S	*	*	S	Bend	trans	-93.3	0.5	-175.8	-111.8	-179.2	-173.6	157.3	5.1	117
245	N	39.8	Very low	54	Low	169 Å²	169	114.6 Å²	114.6	90%	0.904	65%	0.65	S	S	*	*	S	Bend	trans	-127	37	-178.9	-83.6	-0.7	0	0	0	114.8
246	S	41.4	Very low	50.8	Low	105 Å²	105	118.8 Å²	118.8	73%	0.734	67%	0.668	S	S	*	*			trans	-130.1	55.1	170	69.3	0	0	0	0	111.8
247	G	36.8	Very low	47.6	Very low	76 Å²	76	127.3 Å²	127.3	78%	0.784	72%	0.716	S	S	*	*			trans	-128.3	91	167.1	0	0	0	0	0	108.6
248	C	35.5	Very low	45.3	Very low	209 Å²	209	127.5 Å²	127.5	100%	1.412	73%	0.728	S	S	*	*			trans	-74	0	156.5	-65.9	0	0	0	0	109.2

Retrieved 248 of 248 residues in 220.8 ms (Link to these results)

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