A0A087XB08_POEFO Loading...

Choline O-acetyltransferase

Catalyzes the reversible synthesis of acetylcholine (ACh) from acetyl CoA and choline at cholinergic synapses.

AlphaFold DB , UniProt , Accession A0A087XB08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 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	42	Very low	33.9	Very low	200 Å²	200	122.2 Å²	122.2	99%	0.985	66%	0.658	S	S	*	*				0	121.4	0	-74.9	-160.7	-96.8	0	0	108.5	Q5	M1-Q5 VanDerWaalsContact CB-OE1 3.24Å
2	S	32.7	Very low	34.7	Very low	66 Å²	66	123.6 Å²	123.6	46%	0.462	66%	0.657	S	S	.	*			trans	-75.8	156.9	-178	66	0	0	0	0	110.9	L4 Q5	S2-L4 PolarHBondContact O-N 3.45Å; S2-Q5 WeakPolarHBondContact O-CB 3.16Å; S2-Q5 PolarHBondContact O-N 2.81Å
3	A	28.4	Very low	35	Very low	82 Å²	82	129.3 Å²	129.3	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-55.7	-23.7	179.8	0	0	0	0	0	113.6	K6 Q7	A3-K6 PolarHBondContact O-N 2.81Å; A3-Q7 PolarHBondContact O-N 3.01Å
4	L	34.9	Very low	35.7	Very low	137 Å²	137	127.2 Å²	127.2	72%	0.717	68%	0.68	S	S	*	*	H	α-helix	trans	-66.1	-31.4	173.2	-79.1	152.7	0	0	0	113.5	S2 A8	S2-L4 PolarHBondContact O-N 3.45Å; L4-A8 PolarHBondContact O-N 3.26Å
5	Q	36.6	Very low	37.2	Very low	104 Å²	104	128.3 Å²	128.3	49%	0.486	68%	0.679	S	S	.	*	H	α-helix	trans	-72.9	-29	176.8	-75.1	174.7	-42.8	0	0	112.5	M1 S2	M1-Q5 VanDerWaalsContact CB-OE1 3.24Å; S2-Q5 WeakPolarHBondContact O-CB 3.16Å; S2-Q5 PolarHBondContact O-N 2.81Å
6	K	31.2	Very low	40	Very low	155 Å²	155	126.5 Å²	126.5	67%	0.674	67%	0.674	S	S	*	*	H	α-helix	trans	-78.4	-24.4	178.6	-74	-175.8	175.9	-178.4	0	113.3	A3 T9	A3-K6 PolarHBondContact O-N 2.81Å; K6-T9 PolarHBondContact O-OG1 3.44Å
7	Q	28.8	Very low	43.2	Very low	158 Å²	158	120.8 Å²	120.8	74%	0.738	64%	0.644	S	S	*	*	H	α-helix	trans	-79.4	-27.3	174.4	-116.4	171.5	-6.5	0	0	112.4	A3	A3-Q7 PolarHBondContact O-N 3.01Å
8	A	36	Very low	46.1	Very low	61 Å²	61	118 Å²	118	50%	0.504	63%	0.633	S	S	.	*	H	α-helix	trans	-70.1	-29.2	177	0	0	0	0	0	113.6	L4 R10	L4-A8 PolarHBondContact O-N 3.26Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 3.28Å
9	T	34.7	Very low	48.8	Very low	84 Å²	84	115 Å²	115	52%	0.515	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	-12.7	-179.1	35.1	0	0	0	0	114.7	K6	K6-T9 PolarHBondContact O-OG1 3.44Å
10	R	33.3	Very low	51.2	Low	242 Å²	242	109.4 Å²	109.4	91%	0.913	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-2.6	-179.1	-99.9	-177.4	176.2	-177.6	-1.6	115	A8	A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 3.28Å
11	G	33.9	Very low	53.5	Low	55 Å²	55	105.4 Å²	105.4	57%	0.567	56%	0.564	S	S	*	*	S	Bend	trans	-118.8	14.2	178.3	0	0	0	0	0	114.8	E13	G11-E13 VanDerWaalsContact C-N 3.31Å; G11-E13 PolarHBondContact O-N 3.39Å
12	Q	44.1	Very low	56.2	Low	139 Å²	139	96.6 Å²	96.6	65%	0.65	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.6	-162.7	-93.6	176.1	-28.3	0	0	116.6
13	E	38.2	Very low	59.3	Low	198 Å²	198	93.6 Å²	93.6	93%	0.925	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	3.9	-172.4	-77.1	-174.4	160	0	0	116.5	G11	G11-E13 VanDerWaalsContact C-N 3.31Å; G11-E13 PolarHBondContact O-N 3.39Å
14	S	44.4	Very low	62.7	Low	100 Å²	100	93 Å²	93	70%	0.699	49%	0.49	S	S	*	.			trans	-153.7	27.4	-179.6	73.6	0	0	0	0	118.9	V16	S14-V16 VanDerWaalsContact C-N 3.26Å; S14-V16 PolarHBondContact O-N 3.49Å
15	Q	59.2	Low	65.7	Low	143 Å²	143	87.3 Å²	87.3	67%	0.668	46%	0.46	S	S	*	.			trans	-77.7	83.9	166.8	-90.1	-173.7	-5.6	0	0	111.1	L17	Q15-L17 PolarHBondContact O-N 3.41Å
16	V	81.9	Confident	68.6	Low	100 Å²	100	89.2 Å²	89.2	61%	0.606	47%	0.467	S	S	*	.			trans	-68.7	108.1	171.1	-179.4	0	0	0	0	108.5	S14	S14-V16 VanDerWaalsContact C-N 3.26Å; S14-V16 PolarHBondContact O-N 3.49Å
17	L	93.8	Very high	71.9	Confident	29 Å²	29	85 Å²	85	15%	0.152	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-57.8	149.8	177	-67.5	173.8	0	0	0	111.3	Q15 P153 C155 R449	Q15-L17 PolarHBondContact O-N 3.41Å; L17-P153 HydrophobicContact CD2-CB 4.26Å; L17-P153 HydrophobicContact CD2-CG 3.94Å; L17-C155 HydrophobicContact CD1-CB 3.6Å; L17-R449 HydrophobicContact CB-CG 3.91Å; L17-R449 VanDerWaalsContact O-CG 3.29Å; L17-R449 WeakPolarHBondContact O-CG 3.08Å; L17-R449 PolarHBondContact O-NE 3.26Å
18	P	95.9	Very high	75.2	Confident	71 Å²	71	77.5 Å²	77.5	46%	0.461	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.8	155.1	175.4	25.5	-33.2	0	0	0	111.8	R447 F448 R449	P18-R447 WeakPolarHBondContact CD-O 3.33Å; P18-R447 WeakPolarHBondContact CG-O 3.33Å; P18-F448 HydrophobicContact CB-CD1 4Å; P18-F448 HydrophobicContact CB-CE1 4.33Å; P18-F448 HydrophobicContact CG-CD1 3.68Å; P18-F448 HydrophobicContact CG-CE1 4Å; P18-F448 CarbonylContact O-C 3.19Å; P18-F448 WeakPolarHBondContact O-CA 3.41Å; P18-F448 WeakPolarHBondContact O-CB 3.27Å; P18-R449 PolarHBondContact O-N 3.27Å
19	K	97.1	Very high	78.2	Confident	61 Å²	61	74.9 Å²	74.9	27%	0.265	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-72.5	151.6	165.8	-64.2	-168.7	177.8	-170.7	0	109.7	K73 D74 K76 A77 F448	K19-K73 WeakPolarHBondContact CD-O 3.05Å; K19-K73 PolarHBondContact NZ-O 3Å; K19-D74 PolarHBondContact NZ-O 3.14Å; K19-K76 WeakPolarHBondContact CD-O 3.47Å; K19-K76 WeakPolarHBondContact CE-O 3.35Å; K19-K76 PolarHBondContact NZ-O 3.16Å; K19-A77 WeakPolarHBondContact CG-O 3.45Å; K19-F448 VanDerWaalsContact O-CD1 3.28Å; K19-F448 WeakPolarHBondContact O-CD1 3.47Å
20	V	97.7	Very high	81.2	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.018	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-57.2	127.6	172.2	-176.7	0	0	0	0	108.9	N78 W79 L445 F448	V20-N78 HydrophobicContact CG2-CB 4.49Å; V20-N78 WeakPolarHBondContact CG2-OD1 3.5Å; V20-W79 HydrophobicContact CG1-CZ2 4.31Å; V20-W79 VanDerWaalsContact O-CD1 3.32Å; V20-W79 PolarHBondContact O-NE1 2.88Å; V20-W79 VanDerWaalsContact O-NE1 3.12Å; V20-L445 HydrophobicContact CG1-CD1 4.4Å; V20-F448 HydrophobicContact CB-CB 4.39Å; V20-F448 HydrophobicContact CB-CG 4.43Å; V20-F448 HydrophobicContact CG2-CB 3.52Å; V20-F448 HydrophobicContact CG2-CD2 4.28Å; V20-F448 HydrophobicContact CG2-CG 3.97Å
21	P	98.1	Very high	84.4	Confident	26 Å²	26	64.7 Å²	64.7	17%	0.169	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67.2	162.8	177.8	28.2	-33.8	0	0	0	111.1	W79 F448 T502 M504	P21-W79 WeakPolarHBondContact O-CZ2 3.1Å; P21-W79 PolarHBondContact O-NE1 3.21Å; P21-F448 VanDerWaalsContact CD-CE1 3.5Å; P21-F448 HydrophobicContact CG-CE1 4.36Å; P21-F448 HydrophobicContact CG-CZ 4.23Å; P21-T502 WeakPolarHBondContact CG-O 3.44Å; P21-M504 HydrophobicContact CB-SD 4.4Å; P21-M504 HydrophobicContact CG-SD 4.26Å
22	V	98.6	Very high	87.5	Confident	15 Å²	15	62.1 Å²	62.1	9%	0.091	33%	0.327	C	S	.	.			trans	-110.3	114.1	166.5	172	0	0	0	0	104.9	L69 L70 K73 W79	V22-L69 HydrophobicContact CG1-CD2 3.95Å; V22-L69 HydrophobicContact CG1-CG 4.29Å; V22-L69 HydrophobicContact CG2-CD2 4.44Å; V22-L69 HydrophobicContact CG2-CG 4.19Å; V22-L70 HydrophobicContact CB-CD2 3.91Å; V22-L70 HydrophobicContact CG1-CD2 4.1Å; V22-L70 HydrophobicContact CG1-CG 4.41Å; V22-L70 HydrophobicContact CG2-CD2 4.43Å; V22-K73 HydrophobicContact CB-CD 4.42Å; V22-K73 HydrophobicContact CG2-CB 3.95Å; V22-K73 HydrophobicContact CG2-CD 3.91Å; V22-K73 HydrophobicContact CG2-CG 4.28Å; V22-W79 HydrophobicContact CG2-CD2 4.11Å; V22-W79 HydrophobicContact CG2-CG 4.23Å; V22-W79 HydrophobicContact CG2-CZ2 4.18Å
23	P	98.6	Very high	90.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.013	30%	0.301	C	S	.	.			trans	-61.2	155.7	-179.3	-23.2	33.2	0	0	0	112.1	L25 Q66 G503 M504 H509	P23-L25 PolarHBondContact O-N 3.33Å; P23-Q66 PolarHBondContact O-NE2 2.85Å; P23-G503 WeakPolarHBondContact CG-O 3.45Å; P23-M504 HydrophobicContact CB-CE 4.07Å; P23-M504 HydrophobicContact CB-SD 4.47Å; P23-M504 HydrophobicContact CG-SD 4.44Å; P23-H509 HydrophobicContact CG-CB 4.18Å; P23-H509 PolarHBondContact O-CE1 3.33Å
24	P	98.7	Very high	92.9	Very high	70 Å²	70	51.3 Å²	51.3	46%	0.455	28%	0.275	S	S	.	.			trans	-58	133.6	167.9	-22.4	32.9	0	0	0	111	K26 Q27 T28	P24-K26 VanDerWaalsContact C-N 3.34Å; P24-K26 PolarHBondContact O-N 2.92Å; P24-Q27 HydrophobicContact CB-CB 4.1Å; P24-Q27 HydrophobicContact CG-CB 4.43Å; P24-Q27 WeakPolarHBondContact O-CB 3.46Å; P24-Q27 PolarHBondContact O-N 3.05Å; P24-Q27 VanDerWaalsContact O-N 3.1Å; P24-T28 PolarHBondContact O-N 2.95Å; P24-T28 VanDerWaalsContact O-N 3.16Å
25	L	98.8	Very high	95.5	Very high	18 Å²	18	47 Å²	47	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-52.1	-51.5	-179.3	178.9	63.5	0	0	0	111.9	P23 Q27 T28 L29 F55 E63 Q66 L513	P23-L25 PolarHBondContact O-N 3.33Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.45Å; L25-T28 PolarHBondContact O-N 3.39Å; L25-T28 VanDerWaalsContact O-N 3.09Å; L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CD2 4.35Å; L25-L29 HydrophobicContact CD1-CG 4.05Å; L25-L29 HydrophobicContact CD2-CD1 4.49Å; L25-L29 HydrophobicContact CG-CD1 3.91Å; L25-L29 HydrophobicContact CG-CG 4.27Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.2Å; L25-F55 HydrophobicContact CD1-CE1 4.16Å; L25-E63 HydrophobicContact CD2-CG 4.27Å; L25-Q66 HydrophobicContact CB-CB 4.49Å; L25-Q66 HydrophobicContact CB-CG 4.23Å; L25-L513 HydrophobicContact CD1-CD1 3.75Å
26	K	98.5	Very high	97.4	Very high	144 Å²	144	40.3 Å²	40.3	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-56.2	-42.6	179.5	-173.3	179.4	-175	-61.1	0	112.6	P24 T28 L29 D30	P24-K26 VanDerWaalsContact C-N 3.34Å; P24-K26 PolarHBondContact O-N 2.92Å; K26-T28 VanDerWaalsContact C-N 3.33Å; K26-T28 PolarHBondContact O-N 3.2Å; K26-L29 PolarHBondContact O-N 2.75Å; K26-D30 IonicContact NZ-OD1 3.49Å; K26-D30 IonicContact NZ-OD2 2.81Å; K26-D30 PolarHBondContact NZ-OD2 3.28Å; K26-D30 WeakPolarHBondContact O-CB 3.25Å; K26-D30 PolarHBondContact O-N 2.96Å
27	Q	98.7	Very high	98.1	Very high	66 Å²	66	41 Å²	41	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-59.3	-46.1	177.3	179.4	-169	-45.4	0	0	111	P24 L25 T31 M504	P24-Q27 HydrophobicContact CB-CB 4.1Å; P24-Q27 HydrophobicContact CG-CB 4.43Å; P24-Q27 WeakPolarHBondContact O-CB 3.46Å; P24-Q27 PolarHBondContact O-N 3.05Å; P24-Q27 VanDerWaalsContact O-N 3.1Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.45Å; Q27-T31 VanDerWaalsContact O-CB 3.26Å; Q27-T31 WeakPolarHBondContact O-CB 3.49Å; Q27-T31 PolarHBondContact O-N 3.41Å; Q27-T31 PolarHBondContact O-OG1 3.28Å; Q27-M504 PolarHBondContact NE2-O 3.14Å; Q27-M504 VanDerWaalsContact NE2-O 3.16Å; Q27-M504 VanDerWaalsContact OE1-CE 3.23Å
28	T	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-43.3	179.3	-70.9	0	0	0	0	112	P24 L25 K26 T31 Y32 I506 H509 L510	P24-T28 PolarHBondContact O-N 2.95Å; P24-T28 VanDerWaalsContact O-N 3.16Å; L25-T28 PolarHBondContact O-N 3.39Å; L25-T28 VanDerWaalsContact O-N 3.09Å; K26-T28 VanDerWaalsContact C-N 3.33Å; K26-T28 PolarHBondContact O-N 3.2Å; T28-T31 PolarHBondContact O-N 2.84Å; T28-Y32 VanDerWaalsContact O-CB 3.28Å; T28-Y32 WeakPolarHBondContact O-CB 3.43Å; T28-Y32 PolarHBondContact O-N 2.78Å; T28-I506 HydrophobicContact CG2-CB 3.96Å; T28-I506 HydrophobicContact CG2-CG2 3.99Å; T28-H509 WeakPolarHBondContact CB-ND1 3.33Å; T28-H509 HydrophobicContact CG2-CB 4.24Å; T28-H509 PolarHBondContact OG1-ND1 2.71Å; T28-L510 HydrophobicContact CG2-CD2 3.87Å; T28-L510 HydrophobicContact CG2-CG 3.85Å
29	L	98.9	Very high	98.4	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-44	179.2	-63.5	-176.8	0	0	0	112.3	L25 K26 T31 Y32 L33 V52 F55 L510 I527	L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CD2 4.35Å; L25-L29 HydrophobicContact CD1-CG 4.05Å; L25-L29 HydrophobicContact CD2-CD1 4.49Å; L25-L29 HydrophobicContact CG-CD1 3.91Å; L25-L29 HydrophobicContact CG-CG 4.27Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.2Å; K26-L29 PolarHBondContact O-N 2.75Å; L29-T31 VanDerWaalsContact C-N 3.34Å; L29-T31 PolarHBondContact O-N 3.16Å; L29-Y32 PolarHBondContact O-N 2.79Å; L29-L33 WeakPolarHBondContact O-CG 3.14Å; L29-L33 PolarHBondContact O-N 3.42Å; L29-V52 HydrophobicContact CB-CG1 3.73Å; L29-V52 HydrophobicContact CD1-CG1 4.22Å; L29-V52 HydrophobicContact CD2-CG1 4.11Å; L29-V52 HydrophobicContact CG-CG1 4.21Å; L29-F55 HydrophobicContact CD1-CD1 4.12Å; L29-F55 HydrophobicContact CD2-CD1 4.01Å; L29-F55 HydrophobicContact CD2-CE1 4.25Å; L29-L510 HydrophobicContact CD2-CD2 4.48Å; L29-I527 HydrophobicContact CD2-CD1 3.93Å
30	D	98.7	Very high	98.4	Very high	77 Å²	77	39.4 Å²	39.4	41%	0.412	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-43	176.1	-69.6	-17.6	0	0	0	111	K26 L33 K34	K26-D30 IonicContact NZ-OD1 3.49Å; K26-D30 IonicContact NZ-OD2 2.81Å; K26-D30 PolarHBondContact NZ-OD2 3.28Å; K26-D30 WeakPolarHBondContact O-CB 3.25Å; K26-D30 PolarHBondContact O-N 2.96Å; D30-L33 PolarHBondContact O-N 3.03Å; D30-K34 PolarHBondContact O-N 3.02Å
31	T	98.8	Very high	98.4	Very high	35 Å²	35	47.2 Å²	47.2	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-40.4	178.4	-56.5	0	0	0	0	111.3	Q27 T28 L29 K34 C35 Y496 I506	Q27-T31 VanDerWaalsContact O-CB 3.26Å; Q27-T31 WeakPolarHBondContact O-CB 3.49Å; Q27-T31 PolarHBondContact O-N 3.41Å; Q27-T31 PolarHBondContact O-OG1 3.28Å; T28-T31 PolarHBondContact O-N 2.84Å; L29-T31 VanDerWaalsContact C-N 3.34Å; L29-T31 PolarHBondContact O-N 3.16Å; T31-K34 PolarHBondContact O-N 3.18Å; T31-C35 PolarHBondContact O-N 3.28Å; T31-C35 PolarHBondContact O-SG 3Å; T31-Y496 HydrophobicContact CG2-CE1 3.9Å; T31-I506 HydrophobicContact CG2-CG2 3.65Å
32	Y	98.9	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-49.7	174.3	168.8	-113.5	0	0	0	111.3	T28 L29 K34 C35 V36 T48 V52 I506 L510 Y533	T28-Y32 VanDerWaalsContact O-CB 3.28Å; T28-Y32 WeakPolarHBondContact O-CB 3.43Å; T28-Y32 PolarHBondContact O-N 2.78Å; L29-Y32 PolarHBondContact O-N 2.79Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 3.32Å; Y32-C35 WeakPolarHBondContact O-CB 3.33Å; Y32-C35 PolarHBondContact O-N 3.2Å; Y32-C35 VanDerWaalsContact O-N 3.13Å; Y32-V36 HydrophobicContact CD2-CG1 4.05Å; Y32-V36 HydrophobicContact CE2-CG1 3.62Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 3.24Å; Y32-V36 VanDerWaalsContact O-N 3.14Å; Y32-T48 HydrophobicContact CE1-CG2 3.92Å; Y32-V52 HydrophobicContact CD1-CG2 3.86Å; Y32-V52 HydrophobicContact CE1-CG2 3.75Å; Y32-I506 HydrophobicContact CD2-CD1 4.31Å; Y32-L510 HydrophobicContact CD2-CD1 4.07Å; Y32-L510 HydrophobicContact CG-CD1 4.3Å; Y32-Y533 HydrophobicContact CE2-CD2 4.44Å; Y32-Y533 VanDerWaalsContact OH-CA 3.25Å; Y32-Y533 WeakPolarHBondContact OH-CA 3.44Å; Y32-Y533 PolarHBondContact OH-N 3.42Å; Y32-Y533 VanDerWaalsContact OH-N 3.11Å
33	L	98.8	Very high	98.3	Very high	20 Å²	20	57.2 Å²	57.2	11%	0.105	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-42.8	176.5	-70.4	175.8	0	0	0	111.8	L29 D30 C35 V36 Q37 F45 T48 K49 V52	L29-L33 WeakPolarHBondContact O-CG 3.14Å; L29-L33 PolarHBondContact O-N 3.42Å; D30-L33 PolarHBondContact O-N 3.03Å; L33-C35 VanDerWaalsContact C-N 3.32Å; L33-C35 PolarHBondContact O-N 2.61Å; L33-V36 PolarHBondContact O-N 3.42Å; L33-Q37 WeakPolarHBondContact O-CB 3.31Å; L33-Q37 PolarHBondContact O-N 3.15Å; L33-Q37 VanDerWaalsContact O-N 3.09Å; L33-F45 HydrophobicContact CB-CE2 4.21Å; L33-F45 HydrophobicContact CB-CZ 4.3Å; L33-F45 HydrophobicContact CD2-CE2 3.95Å; L33-F45 HydrophobicContact CD2-CZ 4.39Å; L33-F45 WeakPolarHBondContact O-CE2 3.19Å; L33-T48 HydrophobicContact CD2-CG2 3.98Å; L33-K49 HydrophobicContact CD1-CG 4.24Å; L33-K49 HydrophobicContact CD2-CB 4.3Å; L33-V52 HydrophobicContact CD1-CB 4.22Å; L33-V52 HydrophobicContact CD1-CG1 3.8Å; L33-V52 HydrophobicContact CD2-CB 4.15Å; L33-V52 HydrophobicContact CD2-CG1 4.39Å; L33-V52 HydrophobicContact CD2-CG2 3.92Å; L33-V52 HydrophobicContact CG-CB 4.34Å; L33-V52 HydrophobicContact CG-CG1 4.03Å; L33-V52 HydrophobicContact CG-CG2 4.36Å
34	K	98.4	Very high	98.3	Very high	90 Å²	90	59.4 Å²	59.4	39%	0.391	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-42.2	174.6	-173.1	-177.4	177.8	-172	0	111.9	D30 T31 Y32 V36 E462	D30-K34 PolarHBondContact O-N 3.02Å; T31-K34 PolarHBondContact O-N 3.18Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 3.32Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 3.16Å; K34-E462 IonicContact NZ-OE1 2.88Å; K34-E462 PolarHBondContact NZ-OE1 3.49Å
35	C	98.4	Very high	98.3	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-32.9	-178.4	-73.9	0	0	0	0	113.3	T31 Y32 L33 H38 L39 Y496	T31-C35 PolarHBondContact O-N 3.28Å; T31-C35 PolarHBondContact O-SG 3Å; Y32-C35 WeakPolarHBondContact O-CB 3.33Å; Y32-C35 PolarHBondContact O-N 3.2Å; Y32-C35 VanDerWaalsContact O-N 3.13Å; L33-C35 VanDerWaalsContact C-N 3.32Å; L33-C35 PolarHBondContact O-N 2.61Å; C35-H38 PolarHBondContact O-CE1 2.73Å; C35-H38 VanDerWaalsContact O-CE1 3.27Å; C35-L39 WeakPolarHBondContact O-CD1 3.44Å; C35-Y496 PolarHBondContact SG-OH 3.3Å
36	V	98.3	Very high	98.3	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-98	-20	-172.8	-58	0	0	0	0	114.1	Y32 L33 K34 H38 L39 V40 F45 T532	Y32-V36 HydrophobicContact CD2-CG1 4.05Å; Y32-V36 HydrophobicContact CE2-CG1 3.62Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 3.24Å; Y32-V36 VanDerWaalsContact O-N 3.14Å; L33-V36 PolarHBondContact O-N 3.42Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-V36 PolarHBondContact O-N 3.16Å; V36-H38 VanDerWaalsContact C-N 3.31Å; V36-H38 PolarHBondContact O-N 3.48Å; V36-L39 PolarHBondContact O-N 3.25Å; V36-V40 PolarHBondContact O-N 2.87Å; V36-F45 HydrophobicContact CG2-CD2 4.27Å; V36-F45 HydrophobicContact CG2-CE2 4.2Å; V36-T532 HydrophobicContact CB-CG2 3.6Å; V36-T532 HydrophobicContact CG1-CG2 3.9Å; V36-T532 HydrophobicContact CG2-CG2 3.64Å
37	Q	98.3	Very high	98.3	Very high	114 Å²	114	61.4 Å²	61.4	53%	0.533	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.9	-171.4	-176.2	177.6	-1	0	0	114.1	L33 F45	L33-Q37 WeakPolarHBondContact O-CB 3.31Å; L33-Q37 PolarHBondContact O-N 3.15Å; L33-Q37 VanDerWaalsContact O-N 3.09Å; Q37-F45 HydrophobicContact CB-CD2 4.01Å; Q37-F45 HydrophobicContact CB-CE1 4.35Å; Q37-F45 HydrophobicContact CB-CE2 3.6Å; Q37-F45 HydrophobicContact CB-CZ 3.78Å; Q37-F45 HydrophobicContact CG-CD1 4.06Å; Q37-F45 HydrophobicContact CG-CD2 4.21Å; Q37-F45 HydrophobicContact CG-CE1 3.8Å; Q37-F45 HydrophobicContact CG-CE2 3.96Å; Q37-F45 HydrophobicContact CG-CG 4.25Å; Q37-F45 HydrophobicContact CG-CZ 3.74Å
38	H	97.9	Very high	98.3	Very high	47 Å²	47	58.3 Å²	58.3	22%	0.218	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2	-179	61.1	-75.4	0	0	0	113.9	C35 V36 A459 L464	C35-H38 PolarHBondContact O-CE1 2.73Å; C35-H38 VanDerWaalsContact O-CE1 3.27Å; V36-H38 VanDerWaalsContact C-N 3.31Å; V36-H38 PolarHBondContact O-N 3.48Å; H38-A459 PolarHBondContact CE1-O 3.22Å; H38-A459 VanDerWaalsContact CE1-O 3.24Å; H38-A459 PolarHBondContact NE2-O 3.34Å; H38-L464 HydrophobicContact CB-CD2 3.73Å
39	L	97.7	Very high	98.3	Very high	52 Å²	52	62.7 Å²	62.7	27%	0.272	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-12.6	179	-60.9	-178.4	0	0	0	112.9	C35 V36 L436 A459	C35-L39 WeakPolarHBondContact O-CD1 3.44Å; V36-L39 PolarHBondContact O-N 3.25Å; L39-L436 HydrophobicContact CD2-CB 4.06Å; L39-A459 HydrophobicContact CD2-CB 4.39Å
40	V	97.3	Very high	98.3	Very high	29 Å²	29	65 Å²	65	18%	0.176	31%	0.313	C	S	.	.	S	Bend	trans	-123.9	166.4	178.6	-56.8	0	0	0	0	111.5	V36 Q44 F45 T532	V36-V40 PolarHBondContact O-N 2.87Å; V40-Q44 HydrophobicContact CB-CB 4.38Å; V40-Q44 HydrophobicContact CB-CG 4.24Å; V40-Q44 HydrophobicContact CG2-CB 4.5Å; V40-Q44 HydrophobicContact CG2-CG 4.47Å; V40-F45 HydrophobicContact CG2-CB 3.83Å; V40-F45 HydrophobicContact CG2-CD2 4.42Å; V40-T532 HydrophobicContact CG1-CG2 3.84Å; V40-T532 HydrophobicContact CG2-CG2 4.49Å
41	K	97.4	Very high	98.3	Very high	168 Å²	168	62.4 Å²	62.4	73%	0.73	30%	0.299	S	S	*	.			trans	-71	152.7	174.8	-63.8	179.4	-177.7	175.7	0	110.5	E43 Q44 F45	K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 PolarHBondContact O-N 3.31Å; K41-Q44 WeakPolarHBondContact O-CB 3.38Å; K41-Q44 PolarHBondContact O-N 3.04Å; K41-F45 PolarHBondContact O-N 3.05Å
42	E	97.5	Very high	98.3	Very high	132 Å²	132	61 Å²	61	62%	0.617	29%	0.291	S	S	*	.	H	α-helix	trans	-55.4	-44.5	-177.5	-167.8	-171.8	147.2	0	0	113.1	Q44 F45 K46	E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.29Å; E42-F45 WeakPolarHBondContact O-CB 3.37Å; E42-F45 PolarHBondContact O-N 3.03Å; E42-K46 WeakPolarHBondContact O-CG 3.26Å; E42-K46 PolarHBondContact O-N 3.06Å; E42-K46 WeakPolarHBondContact OE1-CE 3.33Å; E42-K46 IonicContact OE1-NZ 2.81Å; E42-K46 PolarHBondContact OE1-NZ 3.27Å
43	E	97.6	Very high	98.3	Very high	118 Å²	118	66.2 Å²	66.2	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-64.6	-35.1	178.6	-65.8	-53	123	0	0	113	K41 K46 K47	K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 PolarHBondContact O-N 3.31Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 2.92Å; E43-K47 PolarHBondContact O-N 2.82Å
44	Q	97.9	Very high	98.2	Very high	49 Å²	49	72 Å²	72	23%	0.229	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-42.6	174	-178.1	176.8	-4.8	0	0	110.5	V40 K41 E42 K46 K47 T48 T532	V40-Q44 HydrophobicContact CB-CB 4.38Å; V40-Q44 HydrophobicContact CB-CG 4.24Å; V40-Q44 HydrophobicContact CG2-CB 4.5Å; V40-Q44 HydrophobicContact CG2-CG 4.47Å; K41-Q44 WeakPolarHBondContact O-CB 3.38Å; K41-Q44 PolarHBondContact O-N 3.04Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.29Å; Q44-K46 VanDerWaalsContact C-N 3.35Å; Q44-K46 PolarHBondContact O-N 2.93Å; Q44-K47 WeakPolarHBondContact O-CB 3.44Å; Q44-K47 PolarHBondContact O-N 2.77Å; Q44-T48 PolarHBondContact O-N 2.92Å; Q44-T48 PolarHBondContact O-OG1 2.93Å; Q44-T532 WeakPolarHBondContact CG-OG1 3.44Å; Q44-T532 PolarHBondContact NE2-OG1 3.17Å
45	F	98.6	Very high	98.2	Very high	28 Å²	28	68.2 Å²	68.2	12%	0.123	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-40.7	177	-176.5	-109.9	0	0	0	112.7	L33 V36 Q37 V40 K41 E42 K47 T48 K49	L33-F45 HydrophobicContact CB-CE2 4.21Å; L33-F45 HydrophobicContact CB-CZ 4.3Å; L33-F45 HydrophobicContact CD2-CE2 3.95Å; L33-F45 HydrophobicContact CD2-CZ 4.39Å; L33-F45 WeakPolarHBondContact O-CE2 3.19Å; V36-F45 HydrophobicContact CG2-CD2 4.27Å; V36-F45 HydrophobicContact CG2-CE2 4.2Å; Q37-F45 HydrophobicContact CB-CD2 4.01Å; Q37-F45 HydrophobicContact CB-CE1 4.35Å; Q37-F45 HydrophobicContact CB-CE2 3.6Å; Q37-F45 HydrophobicContact CB-CZ 3.78Å; Q37-F45 HydrophobicContact CG-CD1 4.06Å; Q37-F45 HydrophobicContact CG-CD2 4.21Å; Q37-F45 HydrophobicContact CG-CE1 3.8Å; Q37-F45 HydrophobicContact CG-CE2 3.96Å; Q37-F45 HydrophobicContact CG-CG 4.25Å; Q37-F45 HydrophobicContact CG-CZ 3.74Å; V40-F45 HydrophobicContact CG2-CB 3.83Å; V40-F45 HydrophobicContact CG2-CD2 4.42Å; K41-F45 PolarHBondContact O-N 3.05Å; E42-F45 WeakPolarHBondContact O-CB 3.37Å; E42-F45 PolarHBondContact O-N 3.03Å; F45-K47 VanDerWaalsContact C-N 3.3Å; F45-K47 PolarHBondContact O-N 3.39Å; F45-T48 PolarHBondContact O-N 3.4Å; F45-K49 WeakPolarHBondContact O-CB 3.43Å; F45-K49 PolarHBondContact O-N 3.45Å
46	K	98.5	Very high	98.2	Very high	98 Å²	98	69 Å²	69	43%	0.426	33%	0.333	S	S	.	.	H	α-helix	trans	-57.3	-43.1	175.6	-74.3	171.9	-173.8	157.6	0	111.6	E42 E43 Q44 A50	E42-K46 WeakPolarHBondContact O-CG 3.26Å; E42-K46 PolarHBondContact O-N 3.06Å; E42-K46 WeakPolarHBondContact OE1-CE 3.33Å; E42-K46 IonicContact OE1-NZ 2.81Å; E42-K46 PolarHBondContact OE1-NZ 3.27Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 2.92Å; Q44-K46 VanDerWaalsContact C-N 3.35Å; Q44-K46 PolarHBondContact O-N 2.93Å; K46-A50 PolarHBondContact O-N 2.94Å; K46-A50 VanDerWaalsContact O-N 3.15Å
47	K	98.6	Very high	98.2	Very high	148 Å²	148	70.7 Å²	70.7	64%	0.643	35%	0.347	S	S	*	.	H	α-helix	trans	-64.3	-51.4	175.6	-66.2	176.6	-177.7	-178.5	0	111.5	E43 Q44 F45 K49 A50 I51	E43-K47 PolarHBondContact O-N 2.82Å; Q44-K47 WeakPolarHBondContact O-CB 3.44Å; Q44-K47 PolarHBondContact O-N 2.77Å; F45-K47 VanDerWaalsContact C-N 3.3Å; F45-K47 PolarHBondContact O-N 3.39Å; K47-K49 VanDerWaalsContact C-N 3.28Å; K47-K49 PolarHBondContact O-N 3.14Å; K47-A50 PolarHBondContact O-N 3.09Å; K47-A50 VanDerWaalsContact O-N 3.16Å; K47-I51 WeakPolarHBondContact O-CG1 3.09Å; K47-I51 PolarHBondContact O-N 3.11Å
48	T	98.7	Very high	98.2	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.3	-44.1	177.1	-62.5	0	0	0	0	111.7	Y32 L33 Q44 F45 A50 I51 V52 D530 T532	Y32-T48 HydrophobicContact CE1-CG2 3.92Å; L33-T48 HydrophobicContact CD2-CG2 3.98Å; Q44-T48 PolarHBondContact O-N 2.92Å; Q44-T48 PolarHBondContact O-OG1 2.93Å; F45-T48 PolarHBondContact O-N 3.4Å; T48-A50 PolarHBondContact O-N 3.49Å; T48-I51 PolarHBondContact O-N 3.34Å; T48-V52 HydrophobicContact CG2-CG2 4.26Å; T48-V52 WeakPolarHBondContact O-CB 3.39Å; T48-V52 VanDerWaalsContact O-CG2 3.29Å; T48-V52 WeakPolarHBondContact O-CG2 3.25Å; T48-V52 PolarHBondContact O-N 3.15Å; T48-D530 VanDerWaalsContact CB-OD2 3.26Å; T48-D530 WeakPolarHBondContact CB-OD2 3.33Å; T48-D530 VanDerWaalsContact CG2-OD2 3.23Å; T48-D530 WeakPolarHBondContact CG2-OD2 3.4Å; T48-D530 PolarHBondContact OG1-OD2 3.48Å; T48-T532 HydrophobicContact CG2-CG2 4.01Å; T48-T532 WeakPolarHBondContact OG1-CB 2.86Å; T48-T532 PolarHBondContact OG1-OG1 3.27Å
49	K	98.8	Very high	98	Very high	92 Å²	92	72 Å²	72	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-46.9	178.1	-177.9	175.4	171.8	-178.4	0	111.8	L33 F45 K47 I51 V52 E53	L33-K49 HydrophobicContact CD1-CG 4.24Å; L33-K49 HydrophobicContact CD2-CB 4.3Å; F45-K49 WeakPolarHBondContact O-CB 3.43Å; F45-K49 PolarHBondContact O-N 3.45Å; K47-K49 VanDerWaalsContact C-N 3.28Å; K47-K49 PolarHBondContact O-N 3.14Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 2.9Å; K49-V52 PolarHBondContact O-N 3.37Å; K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 HydrophobicContact CG-CG 4.38Å; K49-E53 IonicContact NZ-OE1 3.51Å; K49-E53 WeakPolarHBondContact O-CB 3.41Å; K49-E53 WeakPolarHBondContact O-CG 3.13Å; K49-E53 PolarHBondContact O-N 3.32Å
50	A	98.7	Very high	98	Very high	56 Å²	56	70.2 Å²	70.2	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-40.4	176.8	0	0	0	0	0	112.3	K46 K47 T48 K54	K46-A50 PolarHBondContact O-N 2.94Å; K46-A50 VanDerWaalsContact O-N 3.15Å; K47-A50 PolarHBondContact O-N 3.09Å; K47-A50 VanDerWaalsContact O-N 3.16Å; T48-A50 PolarHBondContact O-N 3.49Å; A50-K54 WeakPolarHBondContact O-CB 3.29Å; A50-K54 PolarHBondContact O-N 3.21Å
51	I	98.8	Very high	98	Very high	23 Å²	23	71.5 Å²	71.5	12%	0.118	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-46.1	175.7	-65.7	167.1	0	0	0	110.8	K47 T48 K49 K54 F55 E526 I527 D530	K47-I51 WeakPolarHBondContact O-CG1 3.09Å; K47-I51 PolarHBondContact O-N 3.11Å; T48-I51 PolarHBondContact O-N 3.34Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 2.9Å; I51-K54 PolarHBondContact O-N 2.94Å; I51-F55 WeakPolarHBondContact O-CB 3.46Å; I51-F55 PolarHBondContact O-N 3.24Å; I51-E526 HydrophobicContact CD1-CG 4.21Å; I51-E526 HydrophobicContact CG1-CG 4.16Å; I51-E526 HydrophobicContact CG2-CB 4.09Å; I51-E526 HydrophobicContact CG2-CG 3.92Å; I51-I527 HydrophobicContact CG2-CB 4.01Å; I51-D530 HydrophobicContact CD1-CB 4.17Å
52	V	98.8	Very high	98.1	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-42.9	179.8	169.6	0	0	0	0	111.6	L29 Y32 L33 T48 K49 F55 G56 I527	L29-V52 HydrophobicContact CB-CG1 3.73Å; L29-V52 HydrophobicContact CD1-CG1 4.22Å; L29-V52 HydrophobicContact CD2-CG1 4.11Å; L29-V52 HydrophobicContact CG-CG1 4.21Å; Y32-V52 HydrophobicContact CD1-CG2 3.86Å; Y32-V52 HydrophobicContact CE1-CG2 3.75Å; L33-V52 HydrophobicContact CD1-CB 4.22Å; L33-V52 HydrophobicContact CD1-CG1 3.8Å; L33-V52 HydrophobicContact CD2-CB 4.15Å; L33-V52 HydrophobicContact CD2-CG1 4.39Å; L33-V52 HydrophobicContact CD2-CG2 3.92Å; L33-V52 HydrophobicContact CG-CB 4.34Å; L33-V52 HydrophobicContact CG-CG1 4.03Å; L33-V52 HydrophobicContact CG-CG2 4.36Å; T48-V52 HydrophobicContact CG2-CG2 4.26Å; T48-V52 WeakPolarHBondContact O-CB 3.39Å; T48-V52 VanDerWaalsContact O-CG2 3.29Å; T48-V52 WeakPolarHBondContact O-CG2 3.25Å; T48-V52 PolarHBondContact O-N 3.15Å; K49-V52 PolarHBondContact O-N 3.37Å; V52-F55 PolarHBondContact O-N 3.31Å; V52-G56 PolarHBondContact O-N 2.88Å; V52-I527 HydrophobicContact CG2-CD1 3.88Å; V52-I527 HydrophobicContact CG2-CG1 4.23Å
53	E	98.4	Very high	98.1	Very high	110 Å²	110	61.6 Å²	61.6	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.8	-75.1	174.4	167.7	0	0	111.3	K49 G56 A57	K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 HydrophobicContact CG-CG 4.38Å; K49-E53 IonicContact NZ-OE1 3.51Å; K49-E53 WeakPolarHBondContact O-CB 3.41Å; K49-E53 WeakPolarHBondContact O-CG 3.13Å; K49-E53 PolarHBondContact O-N 3.32Å; E53-G56 PolarHBondContact O-N 3.44Å; E53-A57 WeakPolarHBondContact O-CB 3.33Å; E53-A57 PolarHBondContact O-N 2.93Å
54	K	98.5	Very high	98.1	Very high	140 Å²	140	60.3 Å²	60.3	61%	0.609	34%	0.336	S	S	*	.	H	α-helix	trans	-62.7	-41.6	173.9	178.1	-175.6	169.2	-163.9	0	112.1	A50 I51 E526	A50-K54 WeakPolarHBondContact O-CB 3.29Å; A50-K54 PolarHBondContact O-N 3.21Å; I51-K54 PolarHBondContact O-N 2.94Å; K54-E526 IonicContact NZ-OE2 2.93Å; K54-E526 PolarHBondContact NZ-OE2 3.01Å
55	F	98.7	Very high	98.1	Very high	11 Å²	11	58 Å²	58	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-41.8	179.3	179.5	-100	0	0	0	112.2	L25 L29 I51 V52 V61 G62 L65 L513 P525 I527 F528	L25-F55 HydrophobicContact CD1-CE1 4.16Å; L29-F55 HydrophobicContact CD1-CD1 4.12Å; L29-F55 HydrophobicContact CD2-CD1 4.01Å; L29-F55 HydrophobicContact CD2-CE1 4.25Å; I51-F55 WeakPolarHBondContact O-CB 3.46Å; I51-F55 PolarHBondContact O-N 3.24Å; V52-F55 PolarHBondContact O-N 3.31Å; F55-V61 HydrophobicContact CD2-CB 4.25Å; F55-V61 HydrophobicContact CD2-CG1 4.33Å; F55-V61 HydrophobicContact CE2-CB 4.31Å; F55-V61 HydrophobicContact CE2-CG1 3.94Å; F55-G62 WeakPolarHBondContact O-CA 3.41Å; F55-G62 PolarHBondContact O-N 3.01Å; F55-L65 HydrophobicContact CE2-CD1 3.89Å; F55-L65 HydrophobicContact CZ-CD1 3.86Å; F55-L513 HydrophobicContact CE1-CD1 4.27Å; F55-L513 HydrophobicContact CZ-CD1 4.44Å; F55-P525 HydrophobicContact CD2-CB 4.2Å; F55-P525 HydrophobicContact CE2-CB 3.86Å; F55-P525 HydrophobicContact CE2-CG 4.33Å; F55-I527 HydrophobicContact CD1-CD1 4.06Å; F55-I527 HydrophobicContact CD1-CG2 4.34Å; F55-I527 HydrophobicContact CD2-CB 4.47Å; F55-I527 HydrophobicContact CD2-CG2 3.68Å; F55-I527 HydrophobicContact CE1-CD1 4.44Å; F55-I527 HydrophobicContact CE1-CG2 4.41Å; F55-I527 HydrophobicContact CE2-CG2 3.76Å; F55-I527 HydrophobicContact CG-CB 4.41Å; F55-I527 HydrophobicContact CG-CD1 4.39Å; F55-I527 HydrophobicContact CG-CG2 3.97Å; F55-I527 HydrophobicContact CZ-CG2 4.13Å; F55-F528 HydrophobicContact CE2-CE2 4.4Å; F55-F528 HydrophobicContact CZ-CE2 4.35Å; F55-F528 HydrophobicContact CZ-CZ 4.33Å
56	G	98.3	Very high	98.1	Very high	27 Å²	27	57.7 Å²	57.7	28%	0.278	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.8	-178.5	0	0	0	0	0	115.8	V52 E53	V52-G56 PolarHBondContact O-N 2.88Å; E53-G56 PolarHBondContact O-N 3.44Å
57	A	97.8	Very high	98.1	Very high	37 Å²	37	60 Å²	60	31%	0.306	33%	0.334	S	S	.	.	S	Bend	trans	-62.4	153.7	178.5	0	0	0	0	0	111.5	E53 G59 G60	E53-A57 WeakPolarHBondContact O-CB 3.33Å; E53-A57 PolarHBondContact O-N 2.93Å; A57-G59 PolarHBondContact O-N 3.16Å; A57-G60 WeakPolarHBondContact O-CA 3.5Å; A57-G60 PolarHBondContact O-N 3.16Å
58	P	97.3	Very high	98.1	Very high	125 Å²	125	55.6 Å²	55.6	81%	0.812	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.9	174.1	-25.5	34.9	0	0	0	111.6	G60	P58-G60 PolarHBondContact O-N 3.01Å
59	G	95.1	Very high	98.1	Very high	65 Å²	65	55.6 Å²	55.6	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.1	-173.7	0	0	0	0	0	115	A57 E63	A57-G59 PolarHBondContact O-N 3.16Å; G59-E63 PolarHBondContact N-OE2 2.66Å
60	G	96.3	Very high	98	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	31%	0.313	C	S	.	.	S	Bend	trans	-72.9	170	178	0	0	0	0	0	113.5	A57 P58 G62 E63	A57-G60 WeakPolarHBondContact O-CA 3.5Å; A57-G60 PolarHBondContact O-N 3.16Å; P58-G60 PolarHBondContact O-N 3.01Å; G60-G62 PolarHBondContact O-N 2.91Å; G60-E63 PolarHBondContact O-N 2.84Å; G60-E63 VanDerWaalsContact O-N 3.16Å
61	V	97.9	Very high	98	Very high	55 Å²	55	55.1 Å²	55.1	33%	0.333	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-37.2	-178.5	173.7	0	0	0	0	112	F55 E63 I64 L65 M522 P525	F55-V61 HydrophobicContact CD2-CB 4.25Å; F55-V61 HydrophobicContact CD2-CG1 4.33Å; F55-V61 HydrophobicContact CE2-CB 4.31Å; F55-V61 HydrophobicContact CE2-CG1 3.94Å; V61-E63 VanDerWaalsContact C-N 3.35Å; V61-E63 PolarHBondContact O-N 2.67Å; V61-I64 PolarHBondContact O-N 3.31Å; V61-L65 HydrophobicContact CG1-CD1 3.83Å; V61-L65 HydrophobicContact CG1-CG 4.15Å; V61-L65 WeakPolarHBondContact O-CG 3.44Å; V61-L65 PolarHBondContact O-N 3.46Å; V61-M522 HydrophobicContact CG1-CE 3.72Å; V61-M522 HydrophobicContact CG2-CE 4.44Å; V61-P525 HydrophobicContact CG1-CB 4.4Å; V61-P525 HydrophobicContact CG1-CG 4.06Å
62	G	98.5	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-40.4	179.5	0	0	0	0	0	113.2	F55 G60 L65 Q66	F55-G62 WeakPolarHBondContact O-CA 3.41Å; F55-G62 PolarHBondContact O-N 3.01Å; G60-G62 PolarHBondContact O-N 2.91Å; G62-L65 PolarHBondContact O-N 3.26Å; G62-Q66 VanDerWaalsContact O-CB 3.27Å; G62-Q66 WeakPolarHBondContact O-CB 3.49Å; G62-Q66 PolarHBondContact O-N 2.96Å
63	E	98.3	Very high	97.7	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-35.8	178.8	-67.6	-167.2	153.4	0	0	112.2	L25 G59 G60 V61 Q66 K67	L25-E63 HydrophobicContact CD2-CG 4.27Å; G59-E63 PolarHBondContact N-OE2 2.66Å; G60-E63 PolarHBondContact O-N 2.84Å; G60-E63 VanDerWaalsContact O-N 3.16Å; V61-E63 VanDerWaalsContact C-N 3.35Å; V61-E63 PolarHBondContact O-N 2.67Å; E63-Q66 PolarHBondContact O-N 2.71Å; E63-K67 WeakPolarHBondContact O-CB 3.47Å; E63-K67 PolarHBondContact O-N 3.19Å
64	I	98.1	Very high	97.5	Very high	91 Å²	91	58.4 Å²	58.4	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-48.7	175.1	-59.6	172.3	0	0	0	109.9	V61 K67 K68	V61-I64 PolarHBondContact O-N 3.31Å; I64-K67 PolarHBondContact O-N 3.28Å; I64-K68 PolarHBondContact O-N 3.21Å
65	L	98.6	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-41	178.6	-63.2	176.8	0	0	0	111.7	F55 V61 G62 K67 K68 L69 L513 V516 L520 M522 P525	F55-L65 HydrophobicContact CE2-CD1 3.89Å; F55-L65 HydrophobicContact CZ-CD1 3.86Å; V61-L65 HydrophobicContact CG1-CD1 3.83Å; V61-L65 HydrophobicContact CG1-CG 4.15Å; V61-L65 WeakPolarHBondContact O-CG 3.44Å; V61-L65 PolarHBondContact O-N 3.46Å; G62-L65 PolarHBondContact O-N 3.26Å; L65-K67 PolarHBondContact O-N 3.09Å; L65-K68 PolarHBondContact O-N 2.88Å; L65-L69 WeakPolarHBondContact O-CB 3.46Å; L65-L69 PolarHBondContact O-N 3.18Å; L65-L513 HydrophobicContact CB-CB 4.47Å; L65-L513 HydrophobicContact CB-CD2 3.68Å; L65-L513 HydrophobicContact CD1-CB 4.45Å; L65-V516 HydrophobicContact CD2-CB 4.43Å; L65-V516 HydrophobicContact CD2-CG1 3.83Å; L65-L520 HydrophobicContact CD2-CD1 4.05Å; L65-M522 HydrophobicContact CD2-SD 3.87Å; L65-P525 HydrophobicContact CD1-CG 4.13Å
66	Q	98.6	Very high	97.2	Very high	22 Å²	22	61.2 Å²	61.2	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-58	-49	176.1	-177.3	71.6	13.5	0	0	111.5	P23 L25 G62 E63 K68 L69 L70 H509	P23-Q66 PolarHBondContact O-NE2 2.85Å; L25-Q66 HydrophobicContact CB-CB 4.49Å; L25-Q66 HydrophobicContact CB-CG 4.23Å; G62-Q66 VanDerWaalsContact O-CB 3.27Å; G62-Q66 WeakPolarHBondContact O-CB 3.49Å; G62-Q66 PolarHBondContact O-N 2.96Å; E63-Q66 PolarHBondContact O-N 2.71Å; Q66-K68 VanDerWaalsContact C-N 3.29Å; Q66-K68 PolarHBondContact O-N 2.98Å; Q66-L69 PolarHBondContact O-N 3.43Å; Q66-L70 HydrophobicContact CG-CD1 4.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 2.85Å; Q66-H509 PolarHBondContact OE1-CE1 3.42Å; Q66-H509 PolarHBondContact OE1-NE2 2.91Å
67	K	98.3	Very high	97	Very high	145 Å²	145	61.6 Å²	61.6	63%	0.63	34%	0.336	S	S	*	.	H	α-helix	trans	-58.2	-44.7	178.2	-177.3	179.8	177.7	-179.1	0	110.7	E63 I64 L65 L69 L70 E71	E63-K67 WeakPolarHBondContact O-CB 3.47Å; E63-K67 PolarHBondContact O-N 3.19Å; I64-K67 PolarHBondContact O-N 3.28Å; L65-K67 PolarHBondContact O-N 3.09Å; K67-L69 VanDerWaalsContact C-N 3.35Å; K67-L69 PolarHBondContact O-N 3.48Å; K67-L70 PolarHBondContact O-N 3.13Å; K67-E71 PolarHBondContact O-N 3.15Å; K67-E71 VanDerWaalsContact O-N 3.13Å
68	K	97.9	Very high	97	Very high	56 Å²	56	60.1 Å²	60.1	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-35.7	179.3	-173.4	58	168.6	-170.1	0	112.6	I64 L65 Q66 E71 Q72 V516 L520	I64-K68 PolarHBondContact O-N 3.21Å; L65-K68 PolarHBondContact O-N 2.88Å; Q66-K68 VanDerWaalsContact C-N 3.29Å; Q66-K68 PolarHBondContact O-N 2.98Å; K68-E71 WeakPolarHBondContact CD-OE2 3.38Å; K68-E71 IonicContact NZ-OE2 3.82Å; K68-E71 PolarHBondContact NZ-OE2 3.27Å; K68-E71 WeakPolarHBondContact O-CB 3.48Å; K68-E71 PolarHBondContact O-N 2.92Å; K68-Q72 WeakPolarHBondContact O-CG 3.12Å; K68-Q72 PolarHBondContact O-N 3.45Å; K68-Q72 VanDerWaalsContact O-N 3.11Å; K68-V516 HydrophobicContact CB-CG1 3.63Å; K68-V516 HydrophobicContact CG-CG1 3.48Å; K68-V516 VanDerWaalsContact CG-CG1 3.48Å; K68-L520 HydrophobicContact CB-CD1 4.5Å; K68-L520 HydrophobicContact CG-CD1 4.33Å; K68-L520 HydrophobicContact CG-CD2 4.44Å
69	L	97.8	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-37.3	176	-165.2	64.1	0	0	0	112.1	V22 L65 Q66 K67 Q72 K73 W79 Y83 H509 L513 V516	V22-L69 HydrophobicContact CG1-CD2 3.95Å; V22-L69 HydrophobicContact CG1-CG 4.29Å; V22-L69 HydrophobicContact CG2-CD2 4.44Å; V22-L69 HydrophobicContact CG2-CG 4.19Å; L65-L69 WeakPolarHBondContact O-CB 3.46Å; L65-L69 PolarHBondContact O-N 3.18Å; Q66-L69 PolarHBondContact O-N 3.43Å; K67-L69 VanDerWaalsContact C-N 3.35Å; K67-L69 PolarHBondContact O-N 3.48Å; L69-Q72 WeakPolarHBondContact O-CB 3Å; L69-Q72 PolarHBondContact O-N 2.96Å; L69-Q72 VanDerWaalsContact O-N 3.16Å; L69-K73 PolarHBondContact O-N 2.97Å; L69-W79 HydrophobicContact CD1-CD2 4.29Å; L69-W79 HydrophobicContact CD1-CE3 3.51Å; L69-W79 HydrophobicContact CD1-CZ3 3.88Å; L69-W79 HydrophobicContact CD2-CE3 4.23Å; L69-W79 HydrophobicContact CD2-CH2 4.26Å; L69-W79 HydrophobicContact CD2-CZ3 3.93Å; L69-W79 HydrophobicContact CG-CE3 4.06Å; L69-W79 HydrophobicContact CG-CZ3 4.28Å; L69-Y83 HydrophobicContact CD1-CE2 4.43Å; L69-H509 VanDerWaalsContact CD2-CD2 3.43Å; L69-H509 WeakPolarHBondContact CD2-CD2 3.35Å; L69-L513 HydrophobicContact CD2-CD2 4.21Å; L69-L513 HydrophobicContact CD2-CG 4.5Å; L69-V516 HydrophobicContact CD1-CG2 3.82Å
70	L	98.3	Very high	97.2	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.366	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-42.1	171.9	-71.4	166.5	0	0	0	111.8	V22 Q66 K67 Q72 K73 D74	V22-L70 HydrophobicContact CB-CD2 3.91Å; V22-L70 HydrophobicContact CG1-CD2 4.1Å; V22-L70 HydrophobicContact CG1-CG 4.41Å; V22-L70 HydrophobicContact CG2-CD2 4.43Å; Q66-L70 HydrophobicContact CG-CD1 4.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 2.85Å; K67-L70 PolarHBondContact O-N 3.13Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.45Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.12Å; L70-D74 PolarHBondContact O-N 3.11Å
71	E	97.1	Very high	97.3	Very high	68 Å²	68	52 Å²	52	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-37.6	172.6	-65.8	172.4	-164.7	0	0	112.3	K67 K68 D74 K75	K67-E71 PolarHBondContact O-N 3.15Å; K67-E71 VanDerWaalsContact O-N 3.13Å; K68-E71 WeakPolarHBondContact CD-OE2 3.38Å; K68-E71 IonicContact NZ-OE2 3.82Å; K68-E71 PolarHBondContact NZ-OE2 3.27Å; K68-E71 WeakPolarHBondContact O-CB 3.48Å; K68-E71 PolarHBondContact O-N 2.92Å; E71-D74 PolarHBondContact O-N 2.86Å; E71-K75 WeakPolarHBondContact O-CG 3.29Å; E71-K75 PolarHBondContact O-N 3.32Å
72	Q	95.4	Very high	97.2	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-67.5	-39.8	177.2	-67.6	-71	1.8	0	0	111.8	K68 L69 L70 D74 K75 K76 W79	K68-Q72 WeakPolarHBondContact O-CG 3.12Å; K68-Q72 PolarHBondContact O-N 3.45Å; K68-Q72 VanDerWaalsContact O-N 3.11Å; L69-Q72 WeakPolarHBondContact O-CB 3Å; L69-Q72 PolarHBondContact O-N 2.96Å; L69-Q72 VanDerWaalsContact O-N 3.16Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.45Å; Q72-D74 VanDerWaalsContact C-N 3.25Å; Q72-D74 PolarHBondContact O-N 2.89Å; Q72-K75 PolarHBondContact O-N 3.27Å; Q72-K76 PolarHBondContact O-N 3.42Å; Q72-W79 HydrophobicContact CB-CB 4.39Å
73	K	96.2	Very high	97.2	Very high	59 Å²	59	53.5 Å²	53.5	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-56.2	-40.1	173.6	-179.4	-166.2	176.4	-172.9	0	111.9	K19 V22 L69 L70 W79	K19-K73 WeakPolarHBondContact CD-O 3.05Å; K19-K73 PolarHBondContact NZ-O 3Å; V22-K73 HydrophobicContact CB-CD 4.42Å; V22-K73 HydrophobicContact CG2-CB 3.95Å; V22-K73 HydrophobicContact CG2-CD 3.91Å; V22-K73 HydrophobicContact CG2-CG 4.28Å; L69-K73 PolarHBondContact O-N 2.97Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.12Å; K73-W79 HydrophobicContact CB-CB 4.37Å; K73-W79 HydrophobicContact CB-CG 4.35Å
74	D	94.4	Very high	97.2	Very high	121 Å²	121	49.8 Å²	49.8	65%	0.647	24%	0.24	S	C	*	.	H	α-helix	trans	-71.8	-34.5	-179.9	-66.6	-22.8	0	0	0	112.1	K19 L70 E71 Q72	K19-D74 PolarHBondContact NZ-O 3.14Å; L70-D74 PolarHBondContact O-N 3.11Å; E71-D74 PolarHBondContact O-N 2.86Å; Q72-D74 VanDerWaalsContact C-N 3.25Å; Q72-D74 PolarHBondContact O-N 2.89Å
75	K	95.2	Very high	97.2	Very high	152 Å²	152	46.1 Å²	46.1	66%	0.661	22%	0.221	S	C	*	.	H	α-helix	trans	-81.7	-29.4	-177.3	-68.5	172.5	-175.3	176.6	0	115	E71 Q72	E71-K75 WeakPolarHBondContact O-CG 3.29Å; E71-K75 PolarHBondContact O-N 3.32Å; Q72-K75 PolarHBondContact O-N 3.27Å
76	K	95.1	Very high	97.2	Very high	57 Å²	57	49.6 Å²	49.6	25%	0.248	24%	0.238	C	C	.	.	S	Bend	trans	-107.7	157.2	-175	-63.9	-169.9	173.3	-165.9	0	112.7	K19 Q72 D82	K19-K76 WeakPolarHBondContact CD-O 3.47Å; K19-K76 WeakPolarHBondContact CE-O 3.35Å; K19-K76 PolarHBondContact NZ-O 3.16Å; Q72-K76 PolarHBondContact O-N 3.42Å; K76-D82 IonicContact NZ-OD2 2.74Å; K76-D82 PolarHBondContact NZ-OD2 2.89Å
77	A	95.3	Very high	97.2	Very high	35 Å²	35	52.7 Å²	52.7	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	-66.4	-42	169.8	0	0	0	0	0	111	K19	K19-A77 WeakPolarHBondContact CG-O 3.45Å
78	N	97.8	Very high	97.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.032	24%	0.24	C	C	.	.			trans	-136.1	121.6	170.7	-176.8	-14.2	0	0	0	109.2	V20 V80 R449 E450	V20-N78 HydrophobicContact CG2-CB 4.49Å; V20-N78 WeakPolarHBondContact CG2-OD1 3.5Å; N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 3.48Å; N78-V80 WeakPolarHBondContact OD1-CG1 3.26Å; N78-V80 PolarHBondContact OD1-N 3.02Å; N78-R449 WeakPolarHBondContact CB-O 3.32Å; N78-R449 PolarHBondContact ND2-O 3.36Å; N78-E450 HydrophobicContact CB-CB 3.95Å; N78-E450 PolarHBondContact ND2-O 2.73Å
79	W	97.8	Very high	97.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.015	23%	0.23	C	C	.	.	S	Bend	trans	-74	-23.2	-175.7	60.5	-94.3	0	0	0	113.7	V20 P21 V22 L69 Q72 K73 N508	V20-W79 HydrophobicContact CG1-CZ2 4.31Å; V20-W79 VanDerWaalsContact O-CD1 3.32Å; V20-W79 PolarHBondContact O-NE1 2.88Å; V20-W79 VanDerWaalsContact O-NE1 3.12Å; P21-W79 WeakPolarHBondContact O-CZ2 3.1Å; P21-W79 PolarHBondContact O-NE1 3.21Å; V22-W79 HydrophobicContact CG2-CD2 4.11Å; V22-W79 HydrophobicContact CG2-CG 4.23Å; V22-W79 HydrophobicContact CG2-CZ2 4.18Å; L69-W79 HydrophobicContact CD1-CD2 4.29Å; L69-W79 HydrophobicContact CD1-CE3 3.51Å; L69-W79 HydrophobicContact CD1-CZ3 3.88Å; L69-W79 HydrophobicContact CD2-CE3 4.23Å; L69-W79 HydrophobicContact CD2-CH2 4.26Å; L69-W79 HydrophobicContact CD2-CZ3 3.93Å; L69-W79 HydrophobicContact CG-CE3 4.06Å; L69-W79 HydrophobicContact CG-CZ3 4.28Å; Q72-W79 HydrophobicContact CB-CB 4.39Å; K73-W79 HydrophobicContact CB-CB 4.37Å; K73-W79 HydrophobicContact CB-CG 4.35Å; W79-N508 HydrophobicContact CH2-CB 4.33Å; W79-N508 WeakPolarHBondContact CH2-O 3.46Å; W79-N508 WeakPolarHBondContact CZ3-O 3.29Å
80	V	98	Very high	97.2	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	23%	0.234	C	C	.	.	S	Bend	trans	-100.5	-13	-174.9	75.5	0	0	0	0	113.6	N78 D82 Y83 W84 N508	N78-V80 VanDerWaalsContact C-N 3.33Å; N78-V80 PolarHBondContact O-N 3.48Å; N78-V80 WeakPolarHBondContact OD1-CG1 3.26Å; N78-V80 PolarHBondContact OD1-N 3.02Å; V80-D82 PolarHBondContact O-N 3.14Å; V80-Y83 PolarHBondContact O-N 2.9Å; V80-W84 HydrophobicContact CG2-CB 4.26Å; V80-W84 VanDerWaalsContact O-CB 3.31Å; V80-W84 WeakPolarHBondContact O-CB 3.25Å; V80-W84 PolarHBondContact O-N 3.26Å; V80-N508 HydrophobicContact CG2-CB 3.89Å
81	Y	97.8	Very high	97.2	Very high	25 Å²	25	46 Å²	46	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-52.5	-54.4	-171	-180	-91.5	0	0	0	113.3	Y83 L85 R161 E450 R452	Y81-Y83 PolarHBondContact O-N 3.44Å; Y81-L85 HydrophobicContact CE1-CD2 4.07Å; Y81-L85 VanDerWaalsContact O-CB 3.29Å; Y81-L85 WeakPolarHBondContact O-CB 3.23Å; Y81-L85 PolarHBondContact O-N 3.16Å; Y81-R161 VanDerWaalsContact CE2-NH1 3.3Å; Y81-R161 VanDerWaalsContact OH-CZ 3.29Å; Y81-R161 PolarHBondContact OH-NH1 3.13Å; Y81-R161 PolarHBondContact OH-NH2 3.42Å; Y81-E450 HydrophobicContact CD2-CB 4.18Å; Y81-R452 HydrophobicContact CD2-CG 4.18Å; Y81-R452 HydrophobicContact CE2-CG 4.04Å
82	D	97.1	Very high	97.3	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-41.7	-178.8	-56.2	-39.9	0	0	0	111.7	K76 V80 L85 E86	K76-D82 IonicContact NZ-OD2 2.74Å; K76-D82 PolarHBondContact NZ-OD2 2.89Å; V80-D82 PolarHBondContact O-N 3.14Å; D82-L85 PolarHBondContact O-N 2.77Å; D82-E86 VanDerWaalsContact O-CB 3.29Å; D82-E86 WeakPolarHBondContact O-CB 3.29Å; D82-E86 PolarHBondContact O-N 2.87Å
83	Y	97.8	Very high	97.4	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-47.5	-179.3	-62.7	-16.9	0	0	0	111.6	L69 V80 Y81 D87 K515 V516 Q519	L69-Y83 HydrophobicContact CD1-CE2 4.43Å; V80-Y83 PolarHBondContact O-N 2.9Å; Y81-Y83 PolarHBondContact O-N 3.44Å; Y83-D87 WeakPolarHBondContact O-CB 3.47Å; Y83-D87 PolarHBondContact O-N 3.35Å; Y83-K515 HydrophobicContact CD1-CB 3.78Å; Y83-K515 HydrophobicContact CD1-CD 4.49Å; Y83-K515 HydrophobicContact CD1-CG 4Å; Y83-K515 HydrophobicContact CD2-CB 3.87Å; Y83-K515 HydrophobicContact CD2-CG 4.27Å; Y83-K515 HydrophobicContact CE1-CB 4.01Å; Y83-K515 HydrophobicContact CE2-CB 4.07Å; Y83-K515 HydrophobicContact CG-CB 3.74Å; Y83-K515 HydrophobicContact CG-CG 3.79Å; Y83-V516 HydrophobicContact CE2-CG2 4.45Å; Y83-Q519 VanDerWaalsContact CE1-NE2 3.28Å; Y83-Q519 VanDerWaalsContact OH-CD 3.31Å; Y83-Q519 PolarHBondContact OH-NE2 3.49Å; Y83-Q519 PolarHBondContact OH-OE1 2.88Å; Y83-Q519 VanDerWaalsContact OH-OE1 3.12Å
84	W	98.4	Very high	97.5	Very high	14 Å²	14	48.3 Å²	48.3	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-43.3	179.6	177.2	89.7	0	0	0	111.3	V80 E86 D87 M88 Y89 R452 V453 L511	V80-W84 HydrophobicContact CG2-CB 4.26Å; V80-W84 VanDerWaalsContact O-CB 3.31Å; V80-W84 WeakPolarHBondContact O-CB 3.25Å; V80-W84 PolarHBondContact O-N 3.26Å; W84-E86 VanDerWaalsContact C-N 3.34Å; W84-E86 PolarHBondContact O-N 3.09Å; W84-D87 PolarHBondContact O-N 3.27Å; W84-M88 HydrophobicContact CD2-CB 4.36Å; W84-M88 HydrophobicContact CZ2-CB 4.3Å; W84-M88 HydrophobicContact CZ2-CG 3.98Å; W84-M88 WeakPolarHBondContact O-CB 3.48Å; W84-M88 PolarHBondContact O-N 3.42Å; W84-Y89 HydrophobicContact CE3-CE2 4.42Å; W84-Y89 HydrophobicContact CH2-CD2 4.23Å; W84-Y89 AromaticContact CH2-CE2 3.25Å; W84-Y89 HydrophobicContact CH2-CE2 3.25Å; W84-Y89 AromaticContact CH2-CZ 3.96Å; W84-Y89 AromaticContact CZ2-CE2 3.69Å; W84-Y89 HydrophobicContact CZ2-CE2 3.69Å; W84-Y89 HydrophobicContact CZ3-CD2 4.17Å; W84-Y89 AromaticContact CZ3-CE2 3.61Å; W84-Y89 HydrophobicContact CZ3-CE2 3.61Å; W84-R452 HydrophobicContact CD2-CB 4.13Å; W84-R452 HydrophobicContact CE3-CB 3.8Å; W84-R452 HydrophobicContact CE3-CG 3.86Å; W84-R452 HydrophobicContact CH2-CB 3.71Å; W84-R452 HydrophobicContact CH2-CG 3.99Å; W84-R452 HydrophobicContact CZ2-CB 4.12Å; W84-R452 HydrophobicContact CZ3-CB 3.61Å; W84-R452 HydrophobicContact CZ3-CG 3.5Å; W84-V453 HydrophobicContact CH2-CG2 4.34Å; W84-V453 HydrophobicContact CZ2-CG2 3.37Å; W84-L511 HydrophobicContact CB-CD2 4.4Å
85	L	98.5	Very high	97.7	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-44.1	178.8	179.2	61.2	0	0	0	111.3	Y81 D82 Y89 L90 L176 S329	Y81-L85 HydrophobicContact CE1-CD2 4.07Å; Y81-L85 VanDerWaalsContact O-CB 3.29Å; Y81-L85 WeakPolarHBondContact O-CB 3.23Å; Y81-L85 PolarHBondContact O-N 3.16Å; D82-L85 PolarHBondContact O-N 2.77Å; L85-Y89 HydrophobicContact CD1-CD2 4.18Å; L85-Y89 PolarHBondContact O-N 3.38Å; L85-L90 HydrophobicContact CD1-CG 4.44Å; L85-L90 HydrophobicContact CD2-CD1 4.16Å; L85-L90 HydrophobicContact CG-CD1 3.87Å; L85-L90 HydrophobicContact CG-CG 4.09Å; L85-L90 PolarHBondContact O-N 3.27Å; L85-L90 VanDerWaalsContact O-N 3.09Å; L85-L176 HydrophobicContact CD1-CD2 4.25Å; L85-L176 HydrophobicContact CD2-CB 4.46Å; L85-L176 HydrophobicContact CD2-CD2 4.03Å; L85-S329 WeakPolarHBondContact CD1-O 3.39Å
86	E	98.1	Very high	97.9	Very high	74 Å²	74	36 Å²	36	35%	0.346	19%	0.187	S	C	.	.	I	π-helix	trans	-64	-45.8	177.2	-172.3	-163.2	122	0	0	112.1	D82 W84 L90 S91 T173 K515	D82-E86 VanDerWaalsContact O-CB 3.29Å; D82-E86 WeakPolarHBondContact O-CB 3.29Å; D82-E86 PolarHBondContact O-N 2.87Å; W84-E86 VanDerWaalsContact C-N 3.34Å; W84-E86 PolarHBondContact O-N 3.09Å; E86-L90 PolarHBondContact O-N 3.47Å; E86-S91 WeakPolarHBondContact CG-OG 3.43Å; E86-S91 WeakPolarHBondContact O-CB 3.2Å; E86-S91 PolarHBondContact O-N 2.99Å; E86-S91 PolarHBondContact O-OG 3.02Å; E86-T173 HydrophobicContact CG-CG2 4.26Å; E86-K515 IonicContact OE1-NZ 3.18Å; E86-K515 PolarHBondContact OE1-NZ 3.18Å; E86-K515 IonicContact OE2-NZ 3.68Å
87	D	98.2	Very high	98.1	Very high	86 Å²	86	33.3 Å²	33.3	46%	0.46	18%	0.175	S	C	.	.	I	π-helix	trans	-72.4	-49.6	-175.8	-165.4	78.1	0	0	0	112.4	Y83 W84 L511	Y83-D87 WeakPolarHBondContact O-CB 3.47Å; Y83-D87 PolarHBondContact O-N 3.35Å; W84-D87 PolarHBondContact O-N 3.27Å; D87-L511 HydrophobicContact CB-CD1 3.94Å; D87-L511 HydrophobicContact CB-CD2 3.94Å
88	M	98.1	Very high	98.2	Very high	64 Å²	64	31.6 Å²	31.6	32%	0.315	16%	0.161	S	C	.	.	I	π-helix	trans	-73.2	-33.6	-174.6	-169.9	71.2	-178.1	0	0	112.7	W84	W84-M88 HydrophobicContact CD2-CB 4.36Å; W84-M88 HydrophobicContact CZ2-CB 4.3Å; W84-M88 HydrophobicContact CZ2-CG 3.98Å; W84-M88 WeakPolarHBondContact O-CB 3.48Å; W84-M88 PolarHBondContact O-N 3.42Å
89	Y	98.6	Very high	98.3	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.039	17%	0.167	C	C	.	.	I	π-helix	trans	-127.4	-60.5	-174	-56.1	-80.4	0	0	0	113.7	W84 L85 S91 N92 R167 H328	W84-Y89 HydrophobicContact CE3-CE2 4.42Å; W84-Y89 HydrophobicContact CH2-CD2 4.23Å; W84-Y89 AromaticContact CH2-CE2 3.25Å; W84-Y89 HydrophobicContact CH2-CE2 3.25Å; W84-Y89 AromaticContact CH2-CZ 3.96Å; W84-Y89 AromaticContact CZ2-CE2 3.69Å; W84-Y89 HydrophobicContact CZ2-CE2 3.69Å; W84-Y89 HydrophobicContact CZ3-CD2 4.17Å; W84-Y89 AromaticContact CZ3-CE2 3.61Å; W84-Y89 HydrophobicContact CZ3-CE2 3.61Å; L85-Y89 HydrophobicContact CD1-CD2 4.18Å; L85-Y89 PolarHBondContact O-N 3.38Å; Y89-S91 VanDerWaalsContact C-N 3.29Å; Y89-S91 PolarHBondContact O-N 3.19Å; Y89-N92 WeakPolarHBondContact O-CB 3.47Å; Y89-N92 PolarHBondContact O-N 3.3Å; Y89-R167 PolarHBondContact O-NH2 2.9Å; Y89-H328 HydrophobicContact CD1-CB 4.24Å; Y89-H328 HydrophobicContact CE1-CB 3.61Å; Y89-H328 AromaticContact CE1-CD2 3.82Å; Y89-H328 AromaticContact CE1-CG 3.67Å; Y89-H328 AromaticContact CZ-CG 3.97Å
90	L	98.7	Very high	98.3	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.089	17%	0.172	C	C	.	.	I	π-helix	trans	-69.5	-27.4	-161.4	-54.4	179.1	0	0	0	113.3	L85 E86 R167 T173 D174 L176	L85-L90 HydrophobicContact CD1-CG 4.44Å; L85-L90 HydrophobicContact CD2-CD1 4.16Å; L85-L90 HydrophobicContact CG-CD1 3.87Å; L85-L90 HydrophobicContact CG-CG 4.09Å; L85-L90 PolarHBondContact O-N 3.27Å; L85-L90 VanDerWaalsContact O-N 3.09Å; E86-L90 PolarHBondContact O-N 3.47Å; L90-R167 HydrophobicContact CD2-CG 4.46Å; L90-T173 HydrophobicContact CB-CG2 3.86Å; L90-T173 CarbonylContact O-C 3.59Å; L90-T173 WeakPolarHBondContact O-CA 3.45Å; L90-D174 HydrophobicContact CB-CB 4.26Å; L90-D174 HydrophobicContact CD2-CB 4.02Å; L90-D174 PolarHBondContact O-N 2.67Å; L90-L176 HydrophobicContact CD2-CB 4.18Å
91	S	98.3	Very high	98.4	Very high	41 Å²	41	33.1 Å²	33.1	29%	0.287	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.9	175.1	-57.2	0	0	0	0	113.5	E86 Y89 R93	E86-S91 WeakPolarHBondContact CG-OG 3.43Å; E86-S91 WeakPolarHBondContact O-CB 3.2Å; E86-S91 PolarHBondContact O-N 2.99Å; E86-S91 PolarHBondContact O-OG 3.02Å; Y89-S91 VanDerWaalsContact C-N 3.29Å; Y89-S91 PolarHBondContact O-N 3.19Å; S91-R93 WeakPolarHBondContact O-CD 3.49Å; S91-R93 PolarHBondContact O-N 2.8Å
92	N	98.1	Very high	98.4	Very high	51 Å²	51	32.2 Å²	32.2	27%	0.273	17%	0.168	S	C	.	.			trans	-69.6	127.3	176.2	-170.7	-14.4	0	0	0	109.5	Y89 L94 R244	Y89-N92 WeakPolarHBondContact O-CB 3.47Å; Y89-N92 PolarHBondContact O-N 3.3Å; N92-L94 WeakPolarHBondContact OD1-CB 3.22Å; N92-L94 WeakPolarHBondContact OD1-CG 3.31Å; N92-L94 PolarHBondContact OD1-N 3.06Å; N92-R244 WeakPolarHBondContact O-CG 3.42Å
93	R	98.6	Very high	98.5	Very high	60 Å²	60	28.4 Å²	28.4	23%	0.226	15%	0.148	C	C	.	.			trans	-98.7	-10.1	-175.9	-49.7	-46.7	-56.3	153.4	1.9	113.3	S91 G170 L171 K172 D174 R244 T245	S91-R93 WeakPolarHBondContact O-CD 3.49Å; S91-R93 PolarHBondContact O-N 2.8Å; R93-G170 VanDerWaalsContact CZ-O 3.23Å; R93-G170 PolarHBondContact NH1-O 3.13Å; R93-G170 PolarHBondContact NH2-O 3.3Å; R93-L171 PolarHBondContact NH2-O 3.18Å; R93-K172 WeakPolarHBondContact CD-O 3.37Å; R93-D174 IonicContact CZ-OD1 3.32Å; R93-D174 IonicContact NH1-OD1 2.93Å; R93-D174 PolarHBondContact NH1-OD1 3.1Å; R93-R244 VanDerWaalsContact CZ-CB 3.47Å; R93-R244 PolarHBondContact NH2-O 3.45Å; R93-R244 PolarHBondContact O-N 3.31Å; R93-T245 PolarHBondContact NE-OG1 2.96Å; R93-T245 PolarHBondContact NH2-OG1 3.29Å
94	L	98.7	Very high	98.5	Very high	91 Å²	91	28 Å²	28	48%	0.476	15%	0.146	S	C	.	.	S	Bend	trans	-62.7	153.9	175.9	-61.9	178.3	0	0	0	111.2	N92 N99 R244	N92-L94 WeakPolarHBondContact OD1-CB 3.22Å; N92-L94 WeakPolarHBondContact OD1-CG 3.31Å; N92-L94 PolarHBondContact OD1-N 3.06Å; L94-N99 HydrophobicContact CB-CB 4.03Å; L94-N99 HydrophobicContact CD1-CB 4.18Å; L94-R244 WeakPolarHBondContact O-CD 3.13Å; L94-R244 VanDerWaalsContact O-CG 3.31Å; L94-R244 WeakPolarHBondContact O-CG 3.48Å
95	A	98.7	Very high	98.5	Very high	14 Å²	14	27.4 Å²	27.4	12%	0.116	14%	0.144	C	C	.	.			trans	-57.4	142.8	174	0	0	0	0	0	111.5	P97 N99 S241 D242 L391	A95-P97 HydrophobicContact CB-CG 4.31Å; A95-N99 WeakPolarHBondContact O-CB 3.42Å; A95-N99 PolarHBondContact O-ND2 2.89Å; A95-S241 VanDerWaalsContact CB-O 3.3Å; A95-S241 WeakPolarHBondContact CB-O 3.46Å; A95-D242 VanDerWaalsContact CA-O 3.31Å; A95-D242 WeakPolarHBondContact CA-O 3.49Å; A95-D242 WeakPolarHBondContact CB-O 3.35Å; A95-L391 HydrophobicContact CB-CD2 4.48Å
96	L	98.9	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-48.8	178.1	-66.2	-176.5	0	0	0	115.1	V98 S100 N101 R244 Y308 E327	L96-V98 PolarHBondContact O-N 3.38Å; L96-S100 PolarHBondContact O-N 2.71Å; L96-N101 PolarHBondContact O-N 3.24Å; L96-R244 VanDerWaalsContact CG-NH1 3.33Å; L96-Y308 VanDerWaalsContact CD1-O 3.32Å; L96-Y308 WeakPolarHBondContact CD1-O 3.49Å; L96-E327 HydrophobicContact CD1-CG 4.1Å
97	P	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55	143	175.8	20.7	-33.1	0	0	0	110.6	A95 N99 Y308 L388 L391	A95-P97 HydrophobicContact CB-CG 4.31Å; P97-N99 PolarHBondContact O-N 3.28Å; P97-N99 PolarHBondContact O-ND2 3.17Å; P97-Y308 HydrophobicContact CB-CD1 4.21Å; P97-Y308 HydrophobicContact CB-CE1 3.65Å; P97-Y308 HydrophobicContact CB-CE2 4.41Å; P97-Y308 HydrophobicContact CG-CD1 4.47Å; P97-Y308 HydrophobicContact CG-CE1 4.23Å; P97-Y308 HydrophobicContact CG-CE2 4.28Å; P97-L388 HydrophobicContact CG-CD1 4.25Å; P97-L391 HydrophobicContact CB-CD2 4.29Å; P97-L391 HydrophobicContact CG-CD2 4.03Å; P97-L391 WeakPolarHBondContact O-CD2 3.41Å
98	V	98.5	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	66.2	-55.4	-178.1	-174.7	0	0	0	0	114.1	L96 H295 L391 L395 G557 F582	L96-V98 PolarHBondContact O-N 3.38Å; V98-H295 HydrophobicContact CG2-CB 4.29Å; V98-L391 HydrophobicContact CB-CD1 4.1Å; V98-L391 HydrophobicContact CB-CD2 4.13Å; V98-L391 HydrophobicContact CB-CG 4.24Å; V98-L391 HydrophobicContact CG1-CD1 4.32Å; V98-L391 HydrophobicContact CG2-CD1 4.28Å; V98-L391 HydrophobicContact CG2-CD2 3.96Å; V98-L391 HydrophobicContact CG2-CG 3.94Å; V98-L395 HydrophobicContact CG1-CD1 3.78Å; V98-L395 HydrophobicContact CG1-CD2 4.02Å; V98-L395 HydrophobicContact CG1-CG 4.34Å; V98-L395 HydrophobicContact CG2-CD2 3.87Å; V98-G557 VanDerWaalsContact O-CA 3.3Å; V98-G557 WeakPolarHBondContact O-CA 3.46Å; V98-G557 PolarHBondContact O-N 2.78Å; V98-F582 HydrophobicContact CG1-CE1 4.06Å; V98-F582 HydrophobicContact CG1-CZ 4.38Å
99	N	98.6	Very high	98.1	Very high	29 Å²	29	24.6 Å²	24.6	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-79.3	-26.2	-169.3	-47.8	-72.7	0	0	0	114	L94 A95 P97	L94-N99 HydrophobicContact CB-CB 4.03Å; L94-N99 HydrophobicContact CD1-CB 4.18Å; A95-N99 WeakPolarHBondContact O-CB 3.42Å; A95-N99 PolarHBondContact O-ND2 2.89Å; P97-N99 PolarHBondContact O-N 3.28Å; P97-N99 PolarHBondContact O-ND2 3.17Å
100	S	98.6	Very high	97.8	Very high	16 Å²	16	28.7 Å²	28.7	11%	0.112	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-41.8	-174.8	-174.6	0	0	0	0	113.8	L96 P102 H328	L96-S100 PolarHBondContact O-N 2.71Å; S100-P102 WeakPolarHBondContact O-CD 3.27Å; S100-H328 WeakPolarHBondContact O-CB 2.98Å
101	N	98.7	Very high	97.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-86	109.8	-174.4	-74.6	17.1	0	0	0	110.2	L96 Y308 V325 C326 E327	L96-N101 PolarHBondContact O-N 3.24Å; N101-Y308 PolarHBondContact ND2-O 2.96Å; N101-Y308 VanDerWaalsContact ND2-O 3.08Å; N101-V325 HydrophobicContact CB-CG1 4.08Å; N101-C326 WeakPolarHBondContact CA-O 3.48Å; N101-C326 WeakPolarHBondContact CB-O 3.35Å; N101-E327 WeakPolarHBondContact OD1-CA 3.45Å
102	P	98.6	Very high	97.4	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.039	20%	0.195	C	C	.	.			trans	-69.4	160.7	171.4	31.1	-36.9	0	0	0	111.2	S100 C326 C555 Y556	S100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-C326 WeakPolarHBondContact CD-O 3.28Å; P102-C326 HydrophobicContact CG-CB 4.39Å; P102-C326 PolarHBondContact O-N 2.96Å; P102-C555 VanDerWaalsContact CA-O 3.31Å; P102-C555 WeakPolarHBondContact CA-O 3.44Å; P102-Y556 HydrophobicContact CB-CD1 4.42Å
103	A	98.6	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.6	170.6	0	0	0	0	0	111.1	L293 L294 V324 C554 C555	A103-L293 HydrophobicContact CB-CB 3.62Å; A103-L293 HydrophobicContact CB-CD1 4.29Å; A103-L294 HydrophobicContact CB-CD2 3.89Å; A103-L294 HydrophobicContact CB-CG 4.18Å; A103-V324 WeakPolarHBondContact CA-O 3.05Å; A103-C554 CarbonylContact O-C 3.52Å; A103-C554 WeakPolarHBondContact O-CA 3.34Å; A103-C555 PolarHBondContact N-O 3.31Å; A103-C555 PolarHBondContact O-N 2.86Å; A103-C555 PolarHBondContact O-SG 2.85Å
104	M	98.4	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.3	167.2	179	65.3	60	0	0	108.7	F106 L293 G323 V324 M336 V337 V546 T548 M552 F553 C554	M104-F106 HydrophobicContact CB-CE1 4.45Å; M104-F106 HydrophobicContact CG-CD1 4.11Å; M104-F106 HydrophobicContact CG-CE1 3.88Å; M104-L293 WeakPolarHBondContact O-CD1 3.36Å; M104-G323 CarbonylContact O-C 3.56Å; M104-G323 WeakPolarHBondContact O-CA 3.43Å; M104-V324 HydrophobicContact CB-CG1 3.76Å; M104-V324 PolarHBondContact N-O 2.88Å; M104-V324 PolarHBondContact O-N 2.79Å; M104-M336 HydrophobicContact CB-CE 3.98Å; M104-M336 HydrophobicContact CB-CG 4.49Å; M104-M336 HydrophobicContact CB-SD 3.85Å; M104-M336 HydrophobicContact CE-CE 3.46Å; M104-M336 VanDerWaalsContact CE-CE 3.46Å; M104-V337 HydrophobicContact CE-CG2 3.48Å; M104-V337 VanDerWaalsContact CE-CG2 3.48Å; M104-V546 HydrophobicContact CE-CG1 3.88Å; M104-T548 HydrophobicContact CE-CG2 4.43Å; M104-T548 HydrophobicContact SD-CG2 4.38Å; M104-M552 HydrophobicContact CG-CB 4.49Å; M104-M552 HydrophobicContact SD-CB 3.73Å; M104-M552 HydrophobicContact SD-CE 4.44Å; M104-F553 VanDerWaalsContact SD-C 3.6Å; M104-C554 HydrophobicContact CE-CB 3.77Å
105	V	98.6	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.1	177.5	-174.7	0	0	0	0	108.7	R289 A290 L293 M552 F553	V105-R289 HydrophobicContact CG1-CB 3.96Å; V105-A290 HydrophobicContact CG2-CB 4.12Å; V105-L293 HydrophobicContact CB-CD1 4.15Å; V105-L293 HydrophobicContact CG2-CD1 3.71Å; V105-L293 HydrophobicContact CG2-CG 4.47Å; V105-M552 WeakPolarHBondContact O-CA 3.32Å; V105-M552 VanDerWaalsContact O-CB 3.26Å; V105-M552 WeakPolarHBondContact O-CB 3.43Å; V105-F553 HydrophobicContact CB-CD1 4.15Å; V105-F553 HydrophobicContact CB-CD2 4.25Å; V105-F553 HydrophobicContact CB-CE1 3.73Å; V105-F553 HydrophobicContact CB-CE2 3.84Å; V105-F553 HydrophobicContact CB-CG 4.4Å; V105-F553 HydrophobicContact CB-CZ 3.55Å; V105-F553 HydrophobicContact CG1-CE1 3.72Å; V105-F553 HydrophobicContact CG1-CE2 4.41Å; V105-F553 HydrophobicContact CG1-CZ 3.65Å; V105-F553 HydrophobicContact CG2-CD2 4.19Å; V105-F553 HydrophobicContact CG2-CE1 4.31Å; V105-F553 HydrophobicContact CG2-CE2 3.54Å; V105-F553 HydrophobicContact CG2-CZ 3.61Å; V105-F553 PolarHBondContact N-O 3.34Å; V105-F553 PolarHBondContact O-N 3.16Å
106	F	98.2	Very high	96.4	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.206	C	C	.	.			trans	-78.5	-178.6	178.9	-66.3	-10.1	0	0	0	111.3	M104 L124 R289 F314 C322 V324 M344 M552	M104-F106 HydrophobicContact CB-CE1 4.45Å; M104-F106 HydrophobicContact CG-CD1 4.11Å; M104-F106 HydrophobicContact CG-CE1 3.88Å; F106-L124 HydrophobicContact CE2-CD1 4.29Å; F106-R289 PolarHBondContact O-NH2 3.23Å; F106-F314 HydrophobicContact CZ-CD1 4.44Å; F106-C322 HydrophobicContact CB-CB 4.35Å; F106-C322 WeakPolarHBondContact CB-O 3.31Å; F106-C322 HydrophobicContact CD2-CB 4.17Å; F106-C322 PolarHBondContact N-O 3.02Å; F106-V324 HydrophobicContact CE1-CG1 4.05Å; F106-V324 HydrophobicContact CZ-CB 4.22Å; F106-V324 HydrophobicContact CZ-CG1 4.02Å; F106-M344 HydrophobicContact CB-SD 4.19Å; F106-M344 HydrophobicContact CD1-CG 4.47Å; F106-M344 HydrophobicContact CD2-CG 4.46Å; F106-M344 HydrophobicContact CD2-SD 3.61Å; F106-M344 HydrophobicContact CE2-SD 4.1Å; F106-M344 HydrophobicContact CG-CG 4.33Å; F106-M344 HydrophobicContact CG-SD 3.88Å; F106-M552 HydrophobicContact CD1-CG 4.37Å; F106-M552 HydrophobicContact CD1-SD 3.49Å; F106-M552 WeakPolarHBondContact CD1-SD 3.36Å; F106-M552 HydrophobicContact CE1-SD 3.98Å; F106-M552 HydrophobicContact CG-SD 4.29Å
107	P	95.4	Very high	96.3	Very high	24 Å²	24	41.6 Å²	41.6	16%	0.156	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.4	148	165.8	-15.6	28.6	0	0	0	110.5	Q109 R289 M344 V550 E551	P107-Q109 PolarHBondContact O-N 2.99Å; P107-Q109 PolarHBondContact O-NE2 3.46Å; P107-R289 VanDerWaalsContact C-NH2 3.28Å; P107-M344 HydrophobicContact CG-CE 4.28Å; P107-V550 HydrophobicContact CG-CG1 4.17Å; P107-E551 WeakPolarHBondContact CD-O 3.47Å; P107-E551 HydrophobicContact CG-CB 4.39Å; P107-E551 VanDerWaalsContact CG-O 3.25Å; P107-E551 WeakPolarHBondContact CG-O 3.41Å
108	K	94.5	Very high	96.3	Very high	114 Å²	114	41.8 Å²	41.8	50%	0.496	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-64.4	130.3	176.3	-176	-174.5	170.2	-168.5	0	109.1	P284	K108-P284 HydrophobicContact CD-CB 4.38Å; K108-P284 HydrophobicContact CD-CG 3.98Å; K108-P284 VanDerWaalsContact NZ-CG 3.29Å
109	Q	95.4	Very high	96.2	Very high	40 Å²	40	46.4 Å²	46.4	19%	0.187	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-90.2	150.1	178.2	-55.7	-57.3	-59.3	0	0	111.1	P107 F111 F120 G320 C322	P107-Q109 PolarHBondContact O-N 2.99Å; P107-Q109 PolarHBondContact O-NE2 3.46Å; Q109-F111 HydrophobicContact CB-CD1 4Å; Q109-F111 HydrophobicContact CB-CD2 4.26Å; Q109-F111 HydrophobicContact CB-CE1 3.46Å; Q109-F111 VanDerWaalsContact CB-CE1 3.46Å; Q109-F111 HydrophobicContact CB-CE2 3.76Å; Q109-F111 HydrophobicContact CB-CG 4.37Å; Q109-F111 HydrophobicContact CB-CZ 3.33Å; Q109-F111 HydrophobicContact CG-CE1 4.03Å; Q109-F111 HydrophobicContact CG-CE2 4.3Å; Q109-F111 HydrophobicContact CG-CZ 3.64Å; Q109-F120 HydrophobicContact CG-CD2 4.2Å; Q109-F120 HydrophobicContact CG-CE2 3.83Å; Q109-F120 HydrophobicContact CG-CZ 4.13Å; Q109-G320 PolarHBondContact N-O 2.87Å; Q109-G320 WeakPolarHBondContact O-CA 3.31Å; Q109-C322 HydrophobicContact CG-CB 4.36Å
110	A	93.9	Very high	96.1	Very high	97 Å²	97	45.5 Å²	45.5	80%	0.802	22%	0.22	S	C	*	.			trans	-106.4	71.5	178.3	0	0	0	0	0	110.4
111	F	95.1	Very high	96.1	Very high	38 Å²	38	44.7 Å²	44.7	17%	0.167	21%	0.214	C	C	.	.			trans	-78.8	131.6	177	-56.2	-36.3	0	0	0	110.5	Q109 D116 A117 F120 V316 G317	Q109-F111 HydrophobicContact CB-CD1 4Å; Q109-F111 HydrophobicContact CB-CD2 4.26Å; Q109-F111 HydrophobicContact CB-CE1 3.46Å; Q109-F111 VanDerWaalsContact CB-CE1 3.46Å; Q109-F111 HydrophobicContact CB-CE2 3.76Å; Q109-F111 HydrophobicContact CB-CG 4.37Å; Q109-F111 HydrophobicContact CB-CZ 3.33Å; Q109-F111 HydrophobicContact CG-CE1 4.03Å; Q109-F111 HydrophobicContact CG-CE2 4.3Å; Q109-F111 HydrophobicContact CG-CZ 3.64Å; F111-D116 HydrophobicContact CB-CB 4Å; F111-D116 HydrophobicContact CD1-CB 3.98Å; F111-D116 HydrophobicContact CG-CB 4.31Å; F111-A117 HydrophobicContact CD2-CB 3.65Å; F111-A117 HydrophobicContact CE2-CB 3.88Å; F111-A117 HydrophobicContact CG-CB 4.12Å; F111-F120 HydrophobicContact CE1-CB 3.59Å; F111-F120 HydrophobicContact CE1-CD2 4Å; F111-F120 AromaticContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CZ-CB 3.55Å; F111-F120 HydrophobicContact CZ-CD1 4.01Å; F111-F120 AromaticContact CZ-CD2 3.95Å; F111-F120 HydrophobicContact CZ-CD2 3.95Å; F111-F120 AromaticContact CZ-CG 3.57Å; F111-F120 HydrophobicContact CZ-CG 3.57Å; F111-V316 HydrophobicContact CE2-CG1 4.15Å; F111-V316 HydrophobicContact CZ-CG1 4.38Å; F111-G317 WeakPolarHBondContact CD2-O 3.39Å; F111-G317 WeakPolarHBondContact CE2-O 3.15Å
112	R	92.5	Very high	96.1	Very high	233 Å²	233	44.7 Å²	44.7	88%	0.879	21%	0.214	S	C	*	.	S	Bend	trans	-84.9	-32.3	178	-59.7	173.9	179.1	-179	-0.9	111.8	D116	R112-D116 WeakPolarHBondContact CB-OD2 3.47Å; R112-D116 PolarHBondContact N-OD2 3.32Å; R112-D116 VanDerWaalsContact N-OD2 3.08Å
113	D	90.6	Very high	96	Very high	71 Å²	71	46.7 Å²	46.7	38%	0.38	22%	0.221	S	C	.	.	S	Bend	trans	-149.5	179.3	-179.9	63.1	27.6	0	0	0	110.6	K115 D116	D113-K115 PolarHBondContact O-N 2.99Å; D113-K115 WeakPolarHBondContact OD1-CA 3.43Å; D113-K115 VanDerWaalsContact OD1-CB 3.29Å; D113-K115 WeakPolarHBondContact OD1-CB 3.45Å; D113-K115 PolarHBondContact OD1-N 3.42Å; D113-D116 PolarHBondContact O-N 2.88Å; D113-D116 PolarHBondContact OD1-N 2.87Å
114	H	92.6	Very high	96	Very high	84 Å²	84	46.7 Å²	46.7	39%	0.389	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-29.4	176.5	61.6	-89	0	0	0	113	D116 A117 L118 M223 T318	H114-D116 VanDerWaalsContact C-N 3.32Å; H114-D116 PolarHBondContact O-N 2.95Å; H114-A117 WeakPolarHBondContact O-CB 3.31Å; H114-A117 PolarHBondContact O-N 3.35Å; H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.29Å; H114-M223 HydrophobicContact CB-CE 3.35Å; H114-T318 HydrophobicContact CB-CG2 4.49Å
115	K	94.9	Very high	96	Very high	79 Å²	79	46.8 Å²	46.8	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-36.2	-179.1	-62.2	-171.3	173.3	-168.3	0	111	D113 A117 L118 R119 F216 E220	D113-K115 PolarHBondContact O-N 2.99Å; D113-K115 WeakPolarHBondContact OD1-CA 3.43Å; D113-K115 VanDerWaalsContact OD1-CB 3.29Å; D113-K115 WeakPolarHBondContact OD1-CB 3.45Å; D113-K115 PolarHBondContact OD1-N 3.42Å; K115-A117 VanDerWaalsContact C-N 3.34Å; K115-L118 PolarHBondContact O-N 3.38Å; K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.49Å; K115-F216 HydrophobicContact CB-CE2 4.29Å; K115-F216 HydrophobicContact CB-CZ 4.31Å; K115-F216 HydrophobicContact CG-CZ 4.48Å; K115-E220 VanDerWaalsContact CE-OE1 3.31Å; K115-E220 WeakPolarHBondContact CE-OE1 3.39Å; K115-E220 IonicContact NZ-OE1 2.77Å
116	D	95.8	Very high	95.9	Very high	39 Å²	39	47.2 Å²	47.2	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-42.7	172.5	-74.2	-15	0	0	0	111.9	F111 R112 D113 H114 R119 F120	F111-D116 HydrophobicContact CB-CB 4Å; F111-D116 HydrophobicContact CD1-CB 3.98Å; F111-D116 HydrophobicContact CG-CB 4.31Å; R112-D116 WeakPolarHBondContact CB-OD2 3.47Å; R112-D116 PolarHBondContact N-OD2 3.32Å; R112-D116 VanDerWaalsContact N-OD2 3.08Å; D113-D116 PolarHBondContact O-N 2.88Å; D113-D116 PolarHBondContact OD1-N 2.87Å; H114-D116 VanDerWaalsContact C-N 3.32Å; H114-D116 PolarHBondContact O-N 2.95Å; D116-R119 PolarHBondContact O-N 3.3Å; D116-R119 IonicContact OD1-NH1 3.12Å; D116-R119 PolarHBondContact OD1-NH1 3.48Å; D116-F120 PolarHBondContact O-N 2.95Å
117	A	96.7	Very high	95.8	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-43	174.5	0	0	0	0	0	111.8	F111 H114 K115 R119 F120 A121 V316 T318	F111-A117 HydrophobicContact CD2-CB 3.65Å; F111-A117 HydrophobicContact CE2-CB 3.88Å; F111-A117 HydrophobicContact CG-CB 4.12Å; H114-A117 WeakPolarHBondContact O-CB 3.31Å; H114-A117 PolarHBondContact O-N 3.35Å; K115-A117 VanDerWaalsContact C-N 3.34Å; A117-R119 PolarHBondContact O-N 3.35Å; A117-F120 WeakPolarHBondContact O-CB 3.3Å; A117-F120 PolarHBondContact O-N 2.98Å; A117-A121 PolarHBondContact O-N 2.99Å; A117-V316 HydrophobicContact CB-CG1 4.32Å; A117-T318 HydrophobicContact CB-CG2 4.11Å
118	L	97.9	Very high	95.9	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-36.1	176.8	-63	-172.7	0	0	0	112.6	H114 K115 A121 A122 F216 L219 E220 M223 L276	H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.29Å; K115-L118 PolarHBondContact O-N 3.38Å; L118-A121 PolarHBondContact O-N 2.85Å; L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 2.92Å; L118-F216 HydrophobicContact CB-CD2 3.89Å; L118-F216 HydrophobicContact CB-CE2 3.83Å; L118-L219 HydrophobicContact CB-CB 4.5Å; L118-L219 HydrophobicContact CD1-CB 4.46Å; L118-L219 HydrophobicContact CD2-CB 4.16Å; L118-E220 HydrophobicContact CD1-CB 4.41Å; L118-E220 HydrophobicContact CD1-CG 3.75Å; L118-M223 HydrophobicContact CD1-CB 4.42Å; L118-M223 HydrophobicContact CD2-SD 4.35Å; L118-L276 HydrophobicContact CD2-CD1 3.73Å; L118-L276 HydrophobicContact CD2-CD2 4.18Å
119	R	96.8	Very high	96	Very high	96 Å²	96	40.9 Å²	40.9	36%	0.362	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-42.2	172.4	-72.9	174.5	-169.3	119.4	3.9	111.2	K115 D116 A117 A122 R123 F216	K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.49Å; D116-R119 PolarHBondContact O-N 3.3Å; D116-R119 IonicContact OD1-NH1 3.12Å; D116-R119 PolarHBondContact OD1-NH1 3.48Å; A117-R119 PolarHBondContact O-N 3.35Å; R119-A122 PolarHBondContact O-N 3.49Å; R119-R123 WeakPolarHBondContact O-CG 3.2Å; R119-R123 PolarHBondContact O-N 3.48Å; R119-F216 HydrophobicContact CB-CD2 4.45Å; R119-F216 HydrophobicContact CG-CD2 3.66Å; R119-F216 HydrophobicContact CG-CE2 3.7Å; R119-F216 HydrophobicContact CG-CG 4.49Å
120	F	97.3	Very high	96	Very high	10 Å²	10	42 Å²	42	4%	0.044	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-46.7	174.4	-177	-85.2	0	0	0	111.3	Q109 F111 D116 A117 A122 R123 L124 V316 C322 M344 I347	Q109-F120 HydrophobicContact CG-CD2 4.2Å; Q109-F120 HydrophobicContact CG-CE2 3.83Å; Q109-F120 HydrophobicContact CG-CZ 4.13Å; F111-F120 HydrophobicContact CE1-CB 3.59Å; F111-F120 HydrophobicContact CE1-CD2 4Å; F111-F120 AromaticContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CE1-CG 3.89Å; F111-F120 HydrophobicContact CZ-CB 3.55Å; F111-F120 HydrophobicContact CZ-CD1 4.01Å; F111-F120 AromaticContact CZ-CD2 3.95Å; F111-F120 HydrophobicContact CZ-CD2 3.95Å; F111-F120 AromaticContact CZ-CG 3.57Å; F111-F120 HydrophobicContact CZ-CG 3.57Å; D116-F120 PolarHBondContact O-N 2.95Å; A117-F120 WeakPolarHBondContact O-CB 3.3Å; A117-F120 PolarHBondContact O-N 2.98Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.03Å; F120-R123 PolarHBondContact O-N 3.37Å; F120-L124 HydrophobicContact CE1-CD1 4.01Å; F120-L124 WeakPolarHBondContact O-CB 3.43Å; F120-L124 PolarHBondContact O-N 2.89Å; F120-V316 HydrophobicContact CD1-CG1 3.91Å; F120-V316 HydrophobicContact CD1-CG2 3.99Å; F120-V316 HydrophobicContact CE1-CG2 4.22Å; F120-C322 HydrophobicContact CE1-CB 4.17Å; F120-C322 HydrophobicContact CZ-CB 4.41Å; F120-M344 HydrophobicContact CZ-CE 4.48Å; F120-M344 HydrophobicContact CZ-SD 4.32Å; F120-I347 HydrophobicContact CD2-CG2 4.08Å; F120-I347 HydrophobicContact CE2-CD1 4.26Å; F120-I347 HydrophobicContact CE2-CG2 3.82Å; F120-I347 HydrophobicContact CZ-CD1 4.09Å
121	A	98.3	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-41.9	175.7	0	0	0	0	0	112.1	A117 L118 L124 I125 L219 L276 V316	A117-A121 PolarHBondContact O-N 2.99Å; L118-A121 PolarHBondContact O-N 2.85Å; A121-L124 PolarHBondContact O-N 3.4Å; A121-I125 VanDerWaalsContact O-CG1 3.3Å; A121-I125 WeakPolarHBondContact O-CG1 3.47Å; A121-I125 PolarHBondContact O-N 2.89Å; A121-L219 HydrophobicContact CB-CD1 3.79Å; A121-L276 HydrophobicContact CB-CD2 3.94Å; A121-V316 HydrophobicContact CB-CB 4.43Å; A121-V316 HydrophobicContact CB-CG1 4.33Å; A121-V316 HydrophobicContact CB-CG2 4.11Å
122	A	97.9	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-45.3	176.4	0	0	0	0	0	112.3	L118 R119 F120 L124 I125 C126 E212 I215 F216 L219	L118-A122 WeakPolarHBondContact O-CB 3.49Å; L118-A122 PolarHBondContact O-N 2.92Å; R119-A122 PolarHBondContact O-N 3.49Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.03Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 2.98Å; A122-I125 PolarHBondContact O-N 3.29Å; A122-C126 PolarHBondContact O-N 3.24Å; A122-C126 PolarHBondContact O-SG 2.99Å; A122-E212 HydrophobicContact CB-CG 4.16Å; A122-I215 HydrophobicContact CB-CB 4.17Å; A122-I215 HydrophobicContact CB-CG2 3.79Å; A122-F216 HydrophobicContact CB-CB 4.02Å; A122-L219 HydrophobicContact CB-CD1 4.18Å
123	R	96.6	Very high	96.2	Very high	49 Å²	49	28.4 Å²	28.4	19%	0.185	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-41.1	174.7	-72.4	176.1	-174.2	166.5	9.8	112.4	R119 F120 C126 G127 E212 I347 S352	R119-R123 WeakPolarHBondContact O-CG 3.2Å; R119-R123 PolarHBondContact O-N 3.48Å; F120-R123 PolarHBondContact O-N 3.37Å; R123-C126 PolarHBondContact O-N 3.48Å; R123-G127 PolarHBondContact O-N 3.33Å; R123-E212 HydrophobicContact CG-CG 4.06Å; R123-E212 VanDerWaalsContact CG-OE1 3.25Å; R123-E212 WeakPolarHBondContact CG-OE1 3.21Å; R123-E212 WeakPolarHBondContact CG-OE2 3.26Å; R123-E212 IonicContact CZ-OE1 3.5Å; R123-E212 IonicContact NE-OE1 3.4Å; R123-E212 PolarHBondContact NE-OE1 2.87Å; R123-E212 IonicContact NE-OE2 3.63Å; R123-E212 IonicContact NH2-OE1 2.75Å; R123-E212 PolarHBondContact NH2-OE1 2.87Å; R123-I347 HydrophobicContact CB-CG1 4.2Å; R123-S352 PolarHBondContact NH2-OG 3.16Å; R123-S352 VanDerWaalsContact NH2-OG 3.17Å
124	L	98.1	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-47.7	176.9	-177.6	149.2	0	0	0	110.7	F106 F120 A121 A122 C126 G127 V128 F314 I347	F106-L124 HydrophobicContact CE2-CD1 4.29Å; F120-L124 HydrophobicContact CE1-CD1 4.01Å; F120-L124 WeakPolarHBondContact O-CB 3.43Å; F120-L124 PolarHBondContact O-N 2.89Å; A121-L124 PolarHBondContact O-N 3.4Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 2.98Å; L124-C126 PolarHBondContact O-N 3.36Å; L124-G127 PolarHBondContact O-N 3.25Å; L124-G127 VanDerWaalsContact O-N 3.16Å; L124-V128 HydrophobicContact CD2-CG2 4.14Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.43Å; L124-F314 HydrophobicContact CD1-CB 4.17Å; L124-F314 HydrophobicContact CD1-CD1 4.04Å; L124-F314 HydrophobicContact CD1-CG 4.31Å; L124-F314 HydrophobicContact CD2-CB 3.67Å; L124-F314 HydrophobicContact CD2-CD1 4.01Å; L124-F314 HydrophobicContact CD2-CD2 3.99Å; L124-F314 HydrophobicContact CD2-CG 3.62Å; L124-F314 HydrophobicContact CG-CD1 4.42Å; L124-F314 HydrophobicContact CG-CG 4.49Å; L124-I347 HydrophobicContact CB-CD1 4.12Å
125	I	98.4	Very high	96.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-47.9	176.6	-67.8	164.6	0	0	0	110.3	A121 A122 G127 V128 L129 V190 L201 V203 I215 L219 V274	A121-I125 VanDerWaalsContact O-CG1 3.3Å; A121-I125 WeakPolarHBondContact O-CG1 3.47Å; A121-I125 PolarHBondContact O-N 2.89Å; A122-I125 PolarHBondContact O-N 3.29Å; I125-G127 VanDerWaalsContact C-N 3.3Å; I125-G127 PolarHBondContact O-N 3.39Å; I125-V128 WeakPolarHBondContact O-CB 3.45Å; I125-V128 PolarHBondContact O-N 2.9Å; I125-V128 VanDerWaalsContact O-N 3.14Å; I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.49Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.23Å; I125-L129 PolarHBondContact O-N 2.91Å; I125-V190 HydrophobicContact CD1-CG2 4.45Å; I125-L201 HydrophobicContact CD1-CD2 4.28Å; I125-V203 HydrophobicContact CG2-CG1 4.3Å; I125-I215 HydrophobicContact CB-CD1 4.45Å; I125-I215 HydrophobicContact CB-CG2 4.27Å; I125-I215 HydrophobicContact CD1-CG2 3.8Å; I125-I215 HydrophobicContact CG2-CD1 3.87Å; I125-I215 HydrophobicContact CG2-CG2 4.34Å; I125-L219 HydrophobicContact CD1-CD1 4.27Å; I125-L219 HydrophobicContact CD1-CD2 4.31Å; I125-V274 HydrophobicContact CD1-CG2 4.13Å; I125-V274 HydrophobicContact CG1-CG2 3.83Å
126	C	96.4	Very high	96.4	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-45.1	174.6	-71	0	0	0	0	112.1	A122 R123 L124 V128 L129 E130 I215	A122-C126 PolarHBondContact O-N 3.24Å; A122-C126 PolarHBondContact O-SG 2.99Å; R123-C126 PolarHBondContact O-N 3.48Å; L124-C126 PolarHBondContact O-N 3.36Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.34Å; C126-L129 PolarHBondContact O-N 3.05Å; C126-E130 WeakPolarHBondContact O-CG 3.33Å; C126-E130 PolarHBondContact O-N 3.39Å; C126-I215 VanDerWaalsContact SG-CD1 3.55Å
127	G	96.8	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-38.2	177.3	0	0	0	0	0	113.1	R123 L124 I125 E130 Y131 L343	R123-G127 PolarHBondContact O-N 3.33Å; L124-G127 PolarHBondContact O-N 3.25Å; L124-G127 VanDerWaalsContact O-N 3.16Å; I125-G127 VanDerWaalsContact C-N 3.3Å; I125-G127 PolarHBondContact O-N 3.39Å; G127-E130 PolarHBondContact O-N 2.9Å; G127-Y131 WeakPolarHBondContact O-CB 3.5Å; G127-Y131 PolarHBondContact O-N 3.25Å; G127-L343 WeakPolarHBondContact O-CD2 3.39Å
128	V	98	Very high	96.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-44.4	174.9	167.4	0	0	0	0	110.4	L124 I125 C126 Y131 K132 F163 I271 F314 L343	L124-V128 HydrophobicContact CD2-CG2 4.14Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.43Å; I125-V128 WeakPolarHBondContact O-CB 3.45Å; I125-V128 PolarHBondContact O-N 2.9Å; I125-V128 VanDerWaalsContact O-N 3.14Å; C126-V128 VanDerWaalsContact C-N 3.34Å; C126-V128 PolarHBondContact O-N 3.34Å; V128-Y131 PolarHBondContact O-N 3.14Å; V128-K132 VanDerWaalsContact O-CB 3.31Å; V128-K132 WeakPolarHBondContact O-CB 3.49Å; V128-K132 PolarHBondContact O-N 2.93Å; V128-F163 HydrophobicContact CG1-CD1 4.38Å; V128-F163 HydrophobicContact CG1-CE1 3.83Å; V128-F163 HydrophobicContact CG1-CZ 3.95Å; V128-I271 HydrophobicContact CG1-CG2 3.83Å; V128-F314 HydrophobicContact CG2-CD2 4.2Å; V128-F314 HydrophobicContact CG2-CE1 4.49Å; V128-F314 HydrophobicContact CG2-CE2 3.53Å; V128-F314 HydrophobicContact CG2-CZ 3.7Å; V128-L343 HydrophobicContact CG2-CD1 3.93Å; V128-L343 HydrophobicContact CG2-CD2 3.96Å; V128-L343 VanDerWaalsContact N-CD2 3.32Å
129	L	96.2	Very high	95.9	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-41.7	177.7	-61.1	170.4	0	0	0	111.8	I125 C126 K132 A133 V203 Q209 I271	I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.49Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.23Å; I125-L129 PolarHBondContact O-N 2.91Å; C126-L129 PolarHBondContact O-N 3.05Å; L129-K132 PolarHBondContact O-N 3.22Å; L129-A133 WeakPolarHBondContact O-CB 3.47Å; L129-A133 PolarHBondContact O-N 3.46Å; L129-V203 HydrophobicContact CD1-CB 3.75Å; L129-V203 HydrophobicContact CD1-CG1 4.19Å; L129-V203 HydrophobicContact CD1-CG2 4.06Å; L129-V203 HydrophobicContact CD2-CB 4.08Å; L129-V203 HydrophobicContact CD2-CG1 4.43Å; L129-V203 HydrophobicContact CD2-CG2 3.5Å; L129-V203 VanDerWaalsContact CD2-CG2 3.5Å; L129-V203 HydrophobicContact CG-CG2 4.43Å; L129-Q209 VanDerWaalsContact CB-NE2 3.32Å; L129-Q209 HydrophobicContact CD1-CG 3.87Å; L129-I271 HydrophobicContact CD2-CD1 3.59Å
130	E	95.3	Very high	95.8	Very high	65 Å²	65	36.6 Å²	36.6	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-45.1	173.5	-72.9	172	-162.3	0	0	111.5	C126 G127 A133 L134 F342 R346	C126-E130 WeakPolarHBondContact O-CG 3.33Å; C126-E130 PolarHBondContact O-N 3.39Å; G127-E130 PolarHBondContact O-N 2.9Å; E130-A133 PolarHBondContact O-N 3.41Å; E130-L134 WeakPolarHBondContact O-CG 3.35Å; E130-L134 PolarHBondContact O-N 3.12Å; E130-F342 HydrophobicContact CB-CE1 4.49Å; E130-R346 IonicContact OE1-CZ 3.11Å; E130-R346 IonicContact OE1-NE 2.81Å; E130-R346 PolarHBondContact OE1-NE 3.38Å; E130-R346 IonicContact OE1-NH2 3.33Å; E130-R346 PolarHBondContact OE1-NH2 3.49Å; E130-R346 WeakPolarHBondContact OE2-CD 3.39Å; E130-R346 IonicContact OE2-CZ 3.71Å; E130-R346 IonicContact OE2-NE 2.67Å; E130-R346 PolarHBondContact OE2-NE 3.42Å; E130-R346 IonicContact OE2-NH2 3.82Å
131	Y	96.8	Very high	95.7	Very high	8 Å²	8	41 Å²	41	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-41.8	179	-165	-109.1	0	0	0	112.1	G127 V128 A133 L134 I135 L140 Y159 L162 F163 C339 F342	G127-Y131 WeakPolarHBondContact O-CB 3.5Å; G127-Y131 PolarHBondContact O-N 3.25Å; V128-Y131 PolarHBondContact O-N 3.14Å; Y131-A133 VanDerWaalsContact C-N 3.35Å; Y131-A133 PolarHBondContact O-N 2.95Å; Y131-L134 WeakPolarHBondContact O-CB 3.46Å; Y131-L134 PolarHBondContact O-N 2.92Å; Y131-I135 HydrophobicContact CD1-CD1 3.71Å; Y131-I135 HydrophobicContact CD1-CG1 4.41Å; Y131-I135 HydrophobicContact CE1-CD1 3.69Å; Y131-I135 HydrophobicContact CE1-CG1 4.31Å; Y131-I135 WeakPolarHBondContact O-CG1 3.03Å; Y131-I135 PolarHBondContact O-N 3.23Å; Y131-L140 HydrophobicContact CD2-CD2 4.09Å; Y131-L140 HydrophobicContact CE2-CD2 3.52Å; Y131-Y159 WeakPolarHBondContact OH-CD1 3.44Å; Y131-Y159 VanDerWaalsContact OH-CE1 3.23Å; Y131-Y159 WeakPolarHBondContact OH-CE1 3.4Å; Y131-L162 HydrophobicContact CE1-CD1 3.84Å; Y131-F163 AromaticContact CD1-CE2 3.96Å; Y131-F163 HydrophobicContact CD1-CE2 3.96Å; Y131-F163 HydrophobicContact CD1-CZ 4.21Å; Y131-C339 HydrophobicContact CD1-CB 4.21Å; Y131-C339 VanDerWaalsContact CD1-SG 3.58Å; Y131-C339 HydrophobicContact CE1-CB 3.65Å; Y131-F342 HydrophobicContact CD2-CB 3.89Å; Y131-F342 AromaticContact CD2-CD1 3.38Å; Y131-F342 HydrophobicContact CD2-CD1 3.38Å; Y131-F342 AromaticContact CD2-CD2 3.86Å; Y131-F342 HydrophobicContact CD2-CD2 3.86Å; Y131-F342 AromaticContact CD2-CE1 3.81Å; Y131-F342 HydrophobicContact CD2-CE1 3.81Å; Y131-F342 HydrophobicContact CD2-CE2 4.23Å; Y131-F342 AromaticContact CD2-CG 3.42Å; Y131-F342 HydrophobicContact CD2-CG 3.42Å; Y131-F342 VanDerWaalsContact CD2-CG 3.42Å; Y131-F342 HydrophobicContact CD2-CZ 4.21Å; Y131-F342 HydrophobicContact CE2-CB 3.9Å; Y131-F342 HydrophobicContact CE2-CD1 4.25Å; Y131-F342 HydrophobicContact CE2-CD2 4.2Å; Y131-F342 AromaticContact CE2-CG 3.86Å; Y131-F342 HydrophobicContact CE2-CG 3.86Å; Y131-F342 AromaticContact CG-CD1 3.91Å; Y131-F342 HydrophobicContact CG-CD1 3.91Å; Y131-F342 HydrophobicContact CG-CE1 4.23Å; Y131-F342 HydrophobicContact CG-CG 4.36Å
132	K	95.4	Very high	95.5	Very high	23 Å²	23	44.7 Å²	44.7	10%	0.1	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-44.9	173.4	-178.6	179.7	174.4	-70	0	111	V128 L129 L134 I135 D136 F163 E188 I271	V128-K132 VanDerWaalsContact O-CB 3.31Å; V128-K132 WeakPolarHBondContact O-CB 3.49Å; V128-K132 PolarHBondContact O-N 2.93Å; L129-K132 PolarHBondContact O-N 3.22Å; K132-L134 PolarHBondContact O-N 3.17Å; K132-I135 WeakPolarHBondContact O-CA 3.2Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.47Å; K132-D136 IonicContact NZ-OD2 3.7Å; K132-D136 PolarHBondContact NZ-OD2 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.27Å; K132-D136 PolarHBondContact O-N 3Å; K132-F163 HydrophobicContact CB-CD2 3.83Å; K132-F163 HydrophobicContact CB-CE2 4.03Å; K132-F163 HydrophobicContact CD-CB 4.44Å; K132-F163 HydrophobicContact CD-CD2 4.47Å; K132-F163 HydrophobicContact CG-CD2 4.03Å; K132-E188 WeakPolarHBondContact CE-OE2 3.48Å; K132-E188 IonicContact NZ-OE1 2.74Å; K132-E188 PolarHBondContact NZ-OE1 2.97Å; K132-E188 IonicContact NZ-OE2 3.3Å; K132-E188 PolarHBondContact NZ-OE2 3.26Å; K132-I271 HydrophobicContact CD-CD1 3.93Å; K132-I271 HydrophobicContact CD-CG1 4.03Å; K132-I271 HydrophobicContact CD-CG2 4.1Å
133	A	93.6	Very high	95.3	Very high	51 Å²	51	46 Å²	46	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-34.7	176.5	0	0	0	0	0	112.7	L129 E130 Y131 A137	L129-A133 WeakPolarHBondContact O-CB 3.47Å; L129-A133 PolarHBondContact O-N 3.46Å; E130-A133 PolarHBondContact O-N 3.41Å; Y131-A133 VanDerWaalsContact C-N 3.35Å; Y131-A133 PolarHBondContact O-N 2.95Å; A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 2.83Å
134	L	95.8	Very high	95.3	Very high	56 Å²	56	48.7 Å²	48.7	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-38.6	172.5	-66.2	172.3	0	0	0	112.5	E130 Y131 K132 R138 K139 L140 F342	E130-L134 WeakPolarHBondContact O-CG 3.35Å; E130-L134 PolarHBondContact O-N 3.12Å; Y131-L134 WeakPolarHBondContact O-CB 3.46Å; Y131-L134 PolarHBondContact O-N 2.92Å; K132-L134 PolarHBondContact O-N 3.17Å; L134-R138 PolarHBondContact O-N 3.33Å; L134-K139 HydrophobicContact CD2-CB 4.09Å; L134-K139 PolarHBondContact O-N 3.23Å; L134-L140 HydrophobicContact CB-CD2 3.75Å; L134-L140 HydrophobicContact CB-CG 4.23Å; L134-L140 HydrophobicContact CD1-CD2 4.21Å; L134-L140 PolarHBondContact O-N 2.8Å; L134-F342 HydrophobicContact CD1-CE2 3.92Å; L134-F342 HydrophobicContact CD1-CZ 4.03Å
135	I	94.6	Very high	95	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-53	175.1	-69.6	167.1	0	0	0	110	Y131 K132 A137 R138 L140 Y160 L162 F163	Y131-I135 HydrophobicContact CD1-CD1 3.71Å; Y131-I135 HydrophobicContact CD1-CG1 4.41Å; Y131-I135 HydrophobicContact CE1-CD1 3.69Å; Y131-I135 HydrophobicContact CE1-CG1 4.31Å; Y131-I135 WeakPolarHBondContact O-CG1 3.03Å; Y131-I135 PolarHBondContact O-N 3.23Å; K132-I135 WeakPolarHBondContact O-CA 3.2Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.47Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.11Å; I135-R138 WeakPolarHBondContact O-CA 3.35Å; I135-R138 PolarHBondContact O-N 3.5Å; I135-L140 HydrophobicContact CD1-CD1 4.4Å; I135-L140 HydrophobicContact CG1-CD1 3.47Å; I135-L140 VanDerWaalsContact CG1-CD1 3.47Å; I135-L140 HydrophobicContact CG1-CG 4.07Å; I135-Y160 HydrophobicContact CG2-CD1 3.53Å; I135-Y160 HydrophobicContact CG2-CE1 4.16Å; I135-Y160 HydrophobicContact CG2-CG 4.43Å; I135-Y160 WeakPolarHBondContact O-CE1 3.27Å; I135-L162 HydrophobicContact CD1-CD1 3.99Å; I135-F163 HydrophobicContact CD1-CD2 3.97Å; I135-F163 HydrophobicContact CD1-CE2 3.72Å
136	D	91.4	Very high	94.5	Very high	87 Å²	87	58.7 Å²	58.7	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-39.4	-176.2	-64.2	-14.5	0	0	0	111.3	K132 R138	K132-D136 IonicContact NZ-OD2 3.7Å; K132-D136 PolarHBondContact NZ-OD2 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.27Å; K132-D136 PolarHBondContact O-N 3Å; D136-R138 PolarHBondContact O-N 3.41Å
137	A	92.9	Very high	93.9	Very high	51 Å²	51	61.4 Å²	61.4	42%	0.421	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1	175.4	0	0	0	0	0	114	A133 I135 K139	A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 2.83Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.11Å; A137-K139 HydrophobicContact CB-CB 4.35Å; A137-K139 HydrophobicContact CB-CD 3.78Å; A137-K139 HydrophobicContact CB-CG 3.86Å; A137-K139 PolarHBondContact O-N 3.45Å
138	R	92.9	Very high	93.3	Very high	165 Å²	165	64.6 Å²	64.6	62%	0.623	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.1	-172.2	-58.6	-172	174.7	-109.9	-0.2	113.1	L134 I135 D136 Y160	L134-R138 PolarHBondContact O-N 3.33Å; I135-R138 WeakPolarHBondContact O-CA 3.35Å; I135-R138 PolarHBondContact O-N 3.5Å; D136-R138 PolarHBondContact O-N 3.41Å; R138-Y160 HydrophobicContact CG-CE1 3.94Å; R138-Y160 PolarHBondContact NH1-OH 2.67Å
139	K	95.2	Very high	92.8	Very high	152 Å²	152	68.8 Å²	68.8	66%	0.661	36%	0.358	S	S	*	.			trans	-102.1	0.9	-177	-73.7	179.7	-177.1	174.2	0	114.1	L134 A137	L134-K139 HydrophobicContact CD2-CB 4.09Å; L134-K139 PolarHBondContact O-N 3.23Å; A137-K139 HydrophobicContact CB-CB 4.35Å; A137-K139 HydrophobicContact CB-CD 3.78Å; A137-K139 HydrophobicContact CB-CG 3.86Å; A137-K139 PolarHBondContact O-N 3.45Å
140	L	94.8	Very high	92.5	Very high	29 Å²	29	71.6 Å²	71.6	15%	0.152	38%	0.382	C	S	.	.	S	Bend	trans	-60.1	136.6	171.8	-72.9	-176.6	0	0	0	110.4	Y131 L134 I135 L142 M156 Y159	Y131-L140 HydrophobicContact CD2-CD2 4.09Å; Y131-L140 HydrophobicContact CE2-CD2 3.52Å; L134-L140 HydrophobicContact CB-CD2 3.75Å; L134-L140 HydrophobicContact CB-CG 4.23Å; L134-L140 HydrophobicContact CD1-CD2 4.21Å; L134-L140 PolarHBondContact O-N 2.8Å; I135-L140 HydrophobicContact CD1-CD1 4.4Å; I135-L140 HydrophobicContact CG1-CD1 3.47Å; I135-L140 VanDerWaalsContact CG1-CD1 3.47Å; I135-L140 HydrophobicContact CG1-CG 4.07Å; L140-L142 PolarHBondContact O-N 3.37Å; L140-M156 HydrophobicContact CB-CE 4.23Å; L140-Y159 HydrophobicContact CD1-CD1 3.72Å; L140-Y159 HydrophobicContact CD1-CE1 4.39Å; L140-Y159 HydrophobicContact CD1-CG 3.83Å
141	P	93.9	Very high	92.3	Very high	104 Å²	104	71 Å²	71	68%	0.675	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-56.6	139.4	171.9	-23.6	33.8	0	0	0	110.9	D143 M156	P141-D143 PolarHBondContact O-N 2.82Å; P141-M156 VanDerWaalsContact O-CE 3.26Å; P141-M156 WeakPolarHBondContact O-CE 3.4Å
142	L	94.3	Very high	92.1	Very high	76 Å²	76	72.8 Å²	72.8	40%	0.398	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.8	131.3	174.8	-175.2	62.8	0	0	0	110	L140 F144 P153 L154 M156	L140-L142 PolarHBondContact O-N 3.37Å; L142-F144 HydrophobicContact CB-CE2 4.08Å; L142-F144 HydrophobicContact CD2-CE1 4.38Å; L142-F144 HydrophobicContact CD2-CE2 4.2Å; L142-F144 HydrophobicContact CD2-CZ 3.83Å; L142-F144 HydrophobicContact CG-CE2 4.17Å; L142-F144 HydrophobicContact CG-CZ 4.29Å; L142-F144 VanDerWaalsContact O-CD2 3.3Å; L142-F144 WeakPolarHBondContact O-CD2 3.47Å; L142-F144 WeakPolarHBondContact O-CE2 3.45Å; L142-P153 HydrophobicContact CD2-CB 3.8Å; L142-P153 HydrophobicContact CG-CB 4.45Å; L142-L154 WeakPolarHBondContact CD1-O 3.37Å; L142-M156 HydrophobicContact CD1-CG 3.64Å; L142-M156 HydrophobicContact CD1-SD 4.05Å
143	D	94.9	Very high	92.1	Very high	29 Å²	29	72.9 Å²	72.9	16%	0.155	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-74.6	142.7	172.7	-80.7	-16.7	0	0	0	111	P141 L154 M156 Y159 R446	P141-D143 PolarHBondContact O-N 2.82Å; D143-L154 HydrophobicContact CB-CB 3.89Å; D143-L154 HydrophobicContact CB-CD1 4.14Å; D143-L154 HydrophobicContact CB-CG 4.43Å; D143-L154 PolarHBondContact O-N 3.27Å; D143-M156 HydrophobicContact CB-SD 3.85Å; D143-M156 PolarHBondContact N-SD 2.7Å; D143-Y159 WeakPolarHBondContact OD2-CE2 3.38Å; D143-Y159 PolarHBondContact OD2-OH 3.45Å; D143-R446 IonicContact OD2-CZ 2.81Å; D143-R446 VanDerWaalsContact OD2-CZ 3.29Å; D143-R446 IonicContact OD2-NH1 3.95Å; D143-R446 PolarHBondContact OD2-NH1 2.72Å; D143-R446 IonicContact OD2-NH2 3.34Å; D143-R446 PolarHBondContact OD2-NH2 3Å
144	F	94.8	Very high	92.2	Very high	105 Å²	105	71.6 Å²	71.6	46%	0.461	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-124.1	141.6	172.8	-69	-91	0	0	0	110.5	L142 R146 G151 T152 P153	L142-F144 HydrophobicContact CB-CE2 4.08Å; L142-F144 HydrophobicContact CD2-CE1 4.38Å; L142-F144 HydrophobicContact CD2-CE2 4.2Å; L142-F144 HydrophobicContact CD2-CZ 3.83Å; L142-F144 HydrophobicContact CG-CE2 4.17Å; L142-F144 HydrophobicContact CG-CZ 4.29Å; L142-F144 VanDerWaalsContact O-CD2 3.3Å; L142-F144 WeakPolarHBondContact O-CD2 3.47Å; L142-F144 WeakPolarHBondContact O-CE2 3.45Å; F144-R146 PolarHBondContact O-N 2.77Å; F144-G151 WeakPolarHBondContact CD1-O 3.48Å; F144-T152 CarbonylContact C-O 3.44Å; F144-T152 WeakPolarHBondContact CA-O 3.28Å; F144-P153 HydrophobicContact CD1-CB 4.39Å; F144-P153 HydrophobicContact CE1-CB 4.11Å
145	A	92.3	Very high	92.3	Very high	11 Å²	11	69.2 Å²	69.2	9%	0.091	38%	0.382	C	S	.	.			trans	-55.5	137	175	0	0	0	0	0	110.7	A150 G151 T152 L154	A145-A150 CarbonylContact O-C 3.46Å; A145-A150 VanDerWaalsContact O-CA 3.27Å; A145-A150 WeakPolarHBondContact O-CA 3.43Å; A145-G151 PolarHBondContact O-N 3.27Å; A145-T152 PolarHBondContact N-O 3.11Å; A145-L154 HydrophobicContact CB-CD2 4.19Å
146	R	87.3	Confident	92.4	Very high	200 Å²	200	70 Å²	70	76%	0.755	39%	0.386	S	S	*	.			trans	-113.7	155	173.6	-59.3	-178	-175.4	176	3.2	109	F144	F144-R146 PolarHBondContact O-N 2.77Å
147	G	84.3	Confident	92.6	Very high	65 Å²	65	68.7 Å²	68.7	67%	0.67	38%	0.377	S	S	*	.	S	Bend	trans	77.3	-123.9	-179.6	0	0	0	0	0	112.5	L149 A150	G147-L149 PolarHBondContact O-N 3.27Å; G147-A150 WeakPolarHBondContact O-CB 3.37Å; G147-A150 PolarHBondContact O-N 2.89Å
148	Q	85.7	Confident	92.8	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	132.5	-179	-62.8	-56.5	-22.9	0	0	110.8	A150 R447 I498 I501	Q148-A150 VanDerWaalsContact C-N 3.29Å; Q148-A150 PolarHBondContact O-N 2.87Å; Q148-R447 PolarHBondContact O-NH2 2.94Å; Q148-I498 HydrophobicContact CB-CG1 4.42Å; Q148-I498 HydrophobicContact CG-CG1 4.43Å; Q148-I501 HydrophobicContact CB-CD1 3.88Å
149	L	86.8	Confident	93	Very high	88 Å²	88	58.8 Å²	58.8	46%	0.461	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.1	-178	-58.6	171.3	0	0	0	111.9	G147 T152 R447 I501 T502	G147-L149 PolarHBondContact O-N 3.27Å; L149-T152 PolarHBondContact O-OG1 3.17Å; L149-R447 PolarHBondContact O-NH1 3.47Å; L149-R447 PolarHBondContact O-NH2 3.38Å; L149-I501 HydrophobicContact CD1-CD1 4.36Å; L149-T502 HydrophobicContact CD1-CG2 3.6Å
150	A	89.6	Confident	93	Very high	65 Å²	65	53.3 Å²	53.3	54%	0.537	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	154.5	-178	0	0	0	0	0	113	A145 G147 Q148	A145-A150 CarbonylContact O-C 3.46Å; A145-A150 VanDerWaalsContact O-CA 3.27Å; A145-A150 WeakPolarHBondContact O-CA 3.43Å; G147-A150 WeakPolarHBondContact O-CB 3.37Å; G147-A150 PolarHBondContact O-N 2.89Å; Q148-A150 VanDerWaalsContact C-N 3.29Å; Q148-A150 PolarHBondContact O-N 2.87Å
151	G	91.6	Very high	93.1	Very high	52 Å²	52	52.8 Å²	52.8	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.2	178.1	0	0	0	0	0	114.9	F144 A145	F144-G151 WeakPolarHBondContact CD1-O 3.48Å; A145-G151 PolarHBondContact O-N 3.27Å
152	T	91.8	Very high	93.2	Very high	46 Å²	46	47.9 Å²	47.9	28%	0.282	27%	0.268	S	S	.	.			trans	-73.3	131.3	169.8	-49.7	0	0	0	0	110.4	F144 A145 L149 R447	F144-T152 CarbonylContact C-O 3.44Å; F144-T152 WeakPolarHBondContact CA-O 3.28Å; A145-T152 PolarHBondContact N-O 3.11Å; L149-T152 PolarHBondContact O-OG1 3.17Å; T152-R447 HydrophobicContact CG2-CB 4.36Å; T152-R447 HydrophobicContact CG2-CG 4.13Å; T152-R447 PolarHBondContact OG1-NH1 2.97Å
153	P	95.3	Very high	93.4	Very high	25 Å²	25	44.7 Å²	44.7	16%	0.162	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-63.2	146.5	173.5	28.8	-37	0	0	0	111.1	L17 L142 F144	L17-P153 HydrophobicContact CD2-CB 4.26Å; L17-P153 HydrophobicContact CD2-CG 3.94Å; L142-P153 HydrophobicContact CD2-CB 3.8Å; L142-P153 HydrophobicContact CG-CB 4.45Å; F144-P153 HydrophobicContact CD1-CB 4.39Å; F144-P153 HydrophobicContact CE1-CB 4.11Å
154	L	96.7	Very high	93.4	Very high	23 Å²	23	45 Å²	45	12%	0.12	25%	0.254	C	S	.	.			trans	-114.6	149.7	-178.8	-61.9	-178.9	0	0	0	111.8	L142 D143 A145 M156 R446 R447	L142-L154 WeakPolarHBondContact CD1-O 3.37Å; D143-L154 HydrophobicContact CB-CB 3.89Å; D143-L154 HydrophobicContact CB-CD1 4.14Å; D143-L154 HydrophobicContact CB-CG 4.43Å; D143-L154 PolarHBondContact O-N 3.27Å; A145-L154 HydrophobicContact CB-CD2 4.19Å; L154-M156 PolarHBondContact O-N 2.7Å; L154-R446 CarbonylContact C-O 3.56Å; L154-R446 WeakPolarHBondContact CA-O 3.15Å; L154-R446 HydrophobicContact CB-CB 4.13Å; L154-R446 HydrophobicContact CD2-CB 4.03Å; L154-R446 HydrophobicContact CG-CB 4.49Å; L154-R447 HydrophobicContact CD2-CG 3.82Å
155	C	97.1	Very high	93.5	Very high	6 Å²	6	40 Å²	40	4%	0.041	23%	0.232	C	C	.	.			trans	-63.3	130.4	177.1	-176.2	0	0	0	0	110.3	L17 R446 F448 E450	L17-C155 HydrophobicContact CD1-CB 3.6Å; C155-R446 HydrophobicContact CB-CB 4.44Å; C155-R446 VanDerWaalsContact CB-O 3.31Å; C155-R446 WeakPolarHBondContact CB-O 3.47Å; C155-R446 PolarHBondContact N-O 2.7Å; C155-R446 VanDerWaalsContact O-CZ 3.3Å; C155-R446 PolarHBondContact O-NE 3.48Å; C155-R446 PolarHBondContact O-NH2 3.31Å; C155-F448 WeakPolarHBondContact CB-O 3.29Å; C155-E450 PolarHBondContact SG-N 3.26Å; C155-E450 VanDerWaalsContact SG-N 3.39Å
156	M	96.4	Very high	93.8	Very high	23 Å²	23	39.8 Å²	39.8	11%	0.113	23%	0.229	C	C	.	.			trans	-98.6	-0.3	-178.9	-58.6	-58.7	-75.9	0	0	113.2	L140 P141 L142 D143 L154 Q158 Y159 Y160	L140-M156 HydrophobicContact CB-CE 4.23Å; P141-M156 VanDerWaalsContact O-CE 3.26Å; P141-M156 WeakPolarHBondContact O-CE 3.4Å; L142-M156 HydrophobicContact CD1-CG 3.64Å; L142-M156 HydrophobicContact CD1-SD 4.05Å; D143-M156 HydrophobicContact CB-SD 3.85Å; D143-M156 PolarHBondContact N-SD 2.7Å; L154-M156 PolarHBondContact O-N 2.7Å; M156-Q158 PolarHBondContact O-N 3.48Å; M156-Q158 VanDerWaalsContact O-N 3.11Å; M156-Y159 HydrophobicContact CB-CD2 4.26Å; M156-Y159 HydrophobicContact CE-CD2 3.5Å; M156-Y159 VanDerWaalsContact CE-CD2 3.5Å; M156-Y159 HydrophobicContact CE-CE2 3.36Å; M156-Y159 HydrophobicContact CE-CG 4.39Å; M156-Y159 WeakPolarHBondContact O-CB 3.45Å; M156-Y159 PolarHBondContact O-N 3.47Å; M156-Y159 HydrophobicContact SD-CD2 3.99Å; M156-Y159 HydrophobicContact SD-CE2 3.72Å; M156-Y160 HydrophobicContact CB-CE2 4.42Å
157	E	95.3	Very high	94.4	Very high	60 Å²	60	30.3 Å²	30.3	28%	0.28	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.5	-172.9	-73.3	-57.2	140.6	0	0	114.1	Y159 Y160 E450	E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.34Å; E157-Y160 PolarHBondContact O-N 3.43Å; E157-E450 HydrophobicContact CG-CG 4.49Å
158	Q	97.4	Very high	95	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.5	179.8	-64.1	-176.9	38.1	0	0	113.1	M156 R161 F331 E332 V335 G451	M156-Q158 PolarHBondContact O-N 3.48Å; M156-Q158 VanDerWaalsContact O-N 3.11Å; Q158-R161 WeakPolarHBondContact O-CB 3.38Å; Q158-R161 PolarHBondContact O-N 3.35Å; Q158-F331 HydrophobicContact CB-CB 3.88Å; Q158-F331 HydrophobicContact CG-CB 4.47Å; Q158-E332 PolarHBondContact NE2-OE1 3.16Å; Q158-V335 HydrophobicContact CB-CG1 4.37Å; Q158-V335 HydrophobicContact CB-CG2 3.78Å; Q158-G451 PolarHBondContact NE2-O 2.84Å
159	Y	97.6	Very high	95.7	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.02	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-65.9	-39.1	177.9	-72.2	-81	0	0	0	111.9	Y131 L140 D143 M156 E157 R161 L162 V335 Q338	Y131-Y159 WeakPolarHBondContact OH-CD1 3.44Å; Y131-Y159 VanDerWaalsContact OH-CE1 3.23Å; Y131-Y159 WeakPolarHBondContact OH-CE1 3.4Å; L140-Y159 HydrophobicContact CD1-CD1 3.72Å; L140-Y159 HydrophobicContact CD1-CE1 4.39Å; L140-Y159 HydrophobicContact CD1-CG 3.83Å; D143-Y159 WeakPolarHBondContact OD2-CE2 3.38Å; D143-Y159 PolarHBondContact OD2-OH 3.45Å; M156-Y159 HydrophobicContact CB-CD2 4.26Å; M156-Y159 HydrophobicContact CE-CD2 3.5Å; M156-Y159 VanDerWaalsContact CE-CD2 3.5Å; M156-Y159 HydrophobicContact CE-CE2 3.36Å; M156-Y159 HydrophobicContact CE-CG 4.39Å; M156-Y159 WeakPolarHBondContact O-CB 3.45Å; M156-Y159 PolarHBondContact O-N 3.47Å; M156-Y159 HydrophobicContact SD-CD2 3.99Å; M156-Y159 HydrophobicContact SD-CE2 3.72Å; E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.34Å; Y159-R161 PolarHBondContact O-N 2.9Å; Y159-L162 HydrophobicContact CD1-CD1 3.97Å; Y159-L162 WeakPolarHBondContact O-CB 3.47Å; Y159-L162 PolarHBondContact O-N 3.37Å; Y159-L162 VanDerWaalsContact O-N 3.14Å; Y159-V335 HydrophobicContact CD1-CG1 3.63Å; Y159-V335 HydrophobicContact CD2-CG1 4.46Å; Y159-V335 HydrophobicContact CE1-CB 4.41Å; Y159-V335 HydrophobicContact CE1-CG1 3.71Å; Y159-V335 HydrophobicContact CE2-CG2 4.47Å; Y159-V335 HydrophobicContact CG-CG1 4.02Å; Y159-Q338 HydrophobicContact CE1-CB 4.03Å; Y159-Q338 WeakPolarHBondContact OH-CB 3.42Å; Y159-Q338 WeakPolarHBondContact OH-CG 3.22Å
160	Y	95.7	Very high	96.2	Very high	38 Å²	38	23.3 Å²	23.3	15%	0.149	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-65.6	-9	179.1	-51.9	-61.9	0	0	0	113.1	I135 R138 M156 E157 T164 L180	I135-Y160 HydrophobicContact CG2-CD1 3.53Å; I135-Y160 HydrophobicContact CG2-CE1 4.16Å; I135-Y160 HydrophobicContact CG2-CG 4.43Å; I135-Y160 WeakPolarHBondContact O-CE1 3.27Å; R138-Y160 HydrophobicContact CG-CE1 3.94Å; R138-Y160 PolarHBondContact NH1-OH 2.67Å; M156-Y160 HydrophobicContact CB-CE2 4.42Å; E157-Y160 PolarHBondContact O-N 3.43Å; Y160-T164 PolarHBondContact O-OG1 3.31Å; Y160-L180 WeakPolarHBondContact O-CD2 3.3Å
161	R	96.4	Very high	96.6	Very high	18 Å²	18	24 Å²	24	7%	0.068	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-100.3	-10	-179.1	-57.5	173.5	-170.4	-178.1	-8.8	113.3	Y81 Q158 Y159 F163 T164 S165 T178 P330	Y81-R161 VanDerWaalsContact CE2-NH1 3.3Å; Y81-R161 VanDerWaalsContact OH-CZ 3.29Å; Y81-R161 PolarHBondContact OH-NH1 3.13Å; Y81-R161 PolarHBondContact OH-NH2 3.42Å; Q158-R161 WeakPolarHBondContact O-CB 3.38Å; Q158-R161 PolarHBondContact O-N 3.35Å; Y159-R161 PolarHBondContact O-N 2.9Å; R161-F163 PolarHBondContact O-N 3.43Å; R161-T164 WeakPolarHBondContact CA-OG1 3.37Å; R161-S165 VanDerWaalsContact O-CB 3.23Å; R161-S165 WeakPolarHBondContact O-CB 3.35Å; R161-S165 PolarHBondContact O-OG 3.49Å; R161-T178 HydrophobicContact CB-CG2 4.39Å; R161-T178 HydrophobicContact CG-CG2 3.9Å; R161-P330 HydrophobicContact CB-CB 3.91Å; R161-P330 VanDerWaalsContact CD-O 3.31Å; R161-P330 WeakPolarHBondContact CD-O 3.38Å; R161-P330 PolarHBondContact NH1-O 3.05Å
162	L	96.8	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-47.9	-176.5	-80.4	167.8	0	0	0	112	Y131 I135 Y159 S311 M312 F331 V335 C339	Y131-L162 HydrophobicContact CE1-CD1 3.84Å; I135-L162 HydrophobicContact CD1-CD1 3.99Å; Y159-L162 HydrophobicContact CD1-CD1 3.97Å; Y159-L162 WeakPolarHBondContact O-CB 3.47Å; Y159-L162 PolarHBondContact O-N 3.37Å; Y159-L162 VanDerWaalsContact O-N 3.14Å; L162-S311 WeakPolarHBondContact O-CB 3.46Å; L162-S311 PolarHBondContact O-OG 3.01Å; L162-M312 HydrophobicContact CD2-CE 4.23Å; L162-M312 HydrophobicContact CD2-CG 4.34Å; L162-M312 HydrophobicContact CD2-SD 3.8Å; L162-M312 VanDerWaalsContact O-CG 3.28Å; L162-M312 WeakPolarHBondContact O-CG 3.2Å; L162-F331 HydrophobicContact CD2-CD1 3.89Å; L162-F331 HydrophobicContact CD2-CD2 4.24Å; L162-F331 HydrophobicContact CD2-CE1 3.73Å; L162-F331 HydrophobicContact CD2-CE2 4.08Å; L162-F331 HydrophobicContact CD2-CG 4.18Å; L162-F331 HydrophobicContact CD2-CZ 3.84Å; L162-F331 HydrophobicContact CG-CD1 4.4Å; L162-F331 HydrophobicContact CG-CE1 4.5Å; L162-V335 HydrophobicContact CD1-CG1 4.01Å; L162-V335 HydrophobicContact CD2-CG1 4.08Å; L162-V335 HydrophobicContact CG-CG1 4.05Å; L162-C339 HydrophobicContact CD1-CB 4.16Å
163	F	96.7	Very high	97.2	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.044	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-0.2	-172.6	-53.1	-57.4	0	0	0	114.3	V128 Y131 K132 I135 R161 I271 M312 F314	V128-F163 HydrophobicContact CG1-CD1 4.38Å; V128-F163 HydrophobicContact CG1-CE1 3.83Å; V128-F163 HydrophobicContact CG1-CZ 3.95Å; Y131-F163 AromaticContact CD1-CE2 3.96Å; Y131-F163 HydrophobicContact CD1-CE2 3.96Å; Y131-F163 HydrophobicContact CD1-CZ 4.21Å; K132-F163 HydrophobicContact CB-CD2 3.83Å; K132-F163 HydrophobicContact CB-CE2 4.03Å; K132-F163 HydrophobicContact CD-CB 4.44Å; K132-F163 HydrophobicContact CD-CD2 4.47Å; K132-F163 HydrophobicContact CG-CD2 4.03Å; I135-F163 HydrophobicContact CD1-CD2 3.97Å; I135-F163 HydrophobicContact CD1-CE2 3.72Å; R161-F163 PolarHBondContact O-N 3.43Å; F163-I271 HydrophobicContact CB-CG2 4Å; F163-I271 HydrophobicContact CD1-CG2 3.91Å; F163-I271 HydrophobicContact CG-CG2 3.99Å; F163-M312 HydrophobicContact CD1-CG 4.26Å; F163-M312 HydrophobicContact CE1-CB 4.4Å; F163-M312 HydrophobicContact CE1-CG 4.11Å; F163-F314 HydrophobicContact CE1-CE2 4.48Å
164	T	95.4	Very high	97.4	Very high	35 Å²	35	29.5 Å²	29.5	22%	0.215	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	3.6	-175.1	58.8	0	0	0	0	112.9	Y160 R161 T178 D179	Y160-T164 PolarHBondContact O-OG1 3.31Å; R161-T164 WeakPolarHBondContact CA-OG1 3.37Å; T164-T178 WeakPolarHBondContact O-CA 3.33Å; T164-T178 WeakPolarHBondContact OG1-CG2 3.33Å; T164-D179 VanDerWaalsContact CB-O 3.32Å; T164-D179 WeakPolarHBondContact CB-O 3.48Å; T164-D179 WeakPolarHBondContact CG2-O 3.24Å; T164-D179 PolarHBondContact O-N 3.41Å
165	S	97.6	Very high	97.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148	-173.6	-62.1	0	0	0	0	113	R161 K177 T178 K310	R161-S165 VanDerWaalsContact O-CB 3.23Å; R161-S165 WeakPolarHBondContact O-CB 3.35Å; R161-S165 PolarHBondContact O-OG 3.49Å; S165-K177 VanDerWaalsContact CA-O 3.32Å; S165-K177 WeakPolarHBondContact CA-O 3.33Å; S165-T178 PolarHBondContact OG-OG1 3.11Å; S165-K310 PolarHBondContact O-NZ 2.65Å; S165-K310 VanDerWaalsContact O-NZ 3.11Å
166	Y	98.6	Very high	97.5	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	134.6	168.5	-172.8	-81.4	0	0	0	109.5	Y168 K177 I267 E268 W307 D309 K310	Y166-Y168 HydrophobicContact CD1-CD1 4.14Å; Y166-Y168 AromaticContact CD1-CD2 3.56Å; Y166-Y168 HydrophobicContact CD1-CD2 3.56Å; Y166-Y168 HydrophobicContact CD1-CE1 4.08Å; Y166-Y168 AromaticContact CD1-CE2 3.42Å; Y166-Y168 HydrophobicContact CD1-CE2 3.42Å; Y166-Y168 VanDerWaalsContact CD1-CE2 3.42Å; Y166-Y168 AromaticContact CD1-CG 3.9Å; Y166-Y168 HydrophobicContact CD1-CG 3.9Å; Y166-Y168 AromaticContact CD1-CZ 3.71Å; Y166-Y168 HydrophobicContact CE1-CD1 4.03Å; Y166-Y168 HydrophobicContact CE1-CD2 4.21Å; Y166-Y168 HydrophobicContact CE1-CE1 4.14Å; Y166-Y168 HydrophobicContact CE1-CE2 4.25Å; Y166-Y168 HydrophobicContact CE1-CG 4.06Å; Y166-Y168 HydrophobicContact CG-CE2 4.14Å; Y166-K177 PolarHBondContact N-O 2.99Å; Y166-K177 PolarHBondContact O-N 2.98Å; Y166-I267 HydrophobicContact CE2-CG2 4.42Å; Y166-E268 HydrophobicContact CD1-CG 4.14Å; Y166-E268 HydrophobicContact CD2-CB 4.2Å; Y166-E268 HydrophobicContact CD2-CG 3.95Å; Y166-E268 HydrophobicContact CE1-CG 3.98Å; Y166-E268 HydrophobicContact CE2-CB 4.38Å; Y166-E268 HydrophobicContact CE2-CG 3.73Å; Y166-E268 HydrophobicContact CG-CB 4.42Å; Y166-E268 HydrophobicContact CG-CG 4.14Å; Y166-W307 AromaticContact CE2-CD1 3.96Å; Y166-W307 AromaticContact CE2-NE1 3.42Å; Y166-W307 AromaticContact CZ-NE1 3.58Å; Y166-W307 PolarHBondContact OH-NE1 3.39Å; Y166-D309 HydrophobicContact CD1-CB 4.45Å; Y166-D309 HydrophobicContact CD2-CB 4.39Å; Y166-D309 HydrophobicContact CE1-CB 3.77Å; Y166-D309 HydrophobicContact CE2-CB 3.74Å; Y166-D309 VanDerWaalsContact OH-CB 3.31Å; Y166-D309 WeakPolarHBondContact OH-CB 3.22Å; Y166-D309 PolarHBondContact OH-OD2 3.48Å; Y166-K310 HydrophobicContact CD2-CD 4.25Å
167	R	98.8	Very high	97.5	Very high	2 Å²	2	38 Å²	38	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.8	176.9	179.8	176	170.3	171.9	0.3	111	Y89 L90 D174 D309 E327	Y89-R167 PolarHBondContact O-NH2 2.9Å; L90-R167 HydrophobicContact CD2-CG 4.46Å; R167-D174 HydrophobicContact CG-CB 4.19Å; R167-D174 IonicContact CZ-OD2 2.8Å; R167-D174 IonicContact NE-OD2 3.48Å; R167-D174 PolarHBondContact NE-OD2 2.82Å; R167-D174 IonicContact NH2-OD2 3.6Å; R167-D174 PolarHBondContact NH2-OD2 3.32Å; R167-D309 PolarHBondContact N-O 2.95Å; R167-D309 VanDerWaalsContact N-O 3.11Å; R167-D309 WeakPolarHBondContact O-CB 3.43Å; R167-E327 HydrophobicContact CB-CG 4.09Å; R167-E327 WeakPolarHBondContact CD-OE1 3.36Å; R167-E327 IonicContact CZ-OE1 3.44Å; R167-E327 IonicContact NE-OE1 2.64Å; R167-E327 IonicContact NH1-OE1 3.73Å; R167-E327 PolarHBondContact NH1-OE1 3.28Å; R167-E327 VanDerWaalsContact NH1-OE1 3.12Å
168	Y	98.7	Very high	97.4	Very high	42 Å²	42	37.3 Å²	37.3	17%	0.165	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.2	176.9	-67.8	-97.5	0	0	0	110.5	Y166 D174 T175 K177 E268	Y166-Y168 HydrophobicContact CD1-CD1 4.14Å; Y166-Y168 AromaticContact CD1-CD2 3.56Å; Y166-Y168 HydrophobicContact CD1-CD2 3.56Å; Y166-Y168 HydrophobicContact CD1-CE1 4.08Å; Y166-Y168 AromaticContact CD1-CE2 3.42Å; Y166-Y168 HydrophobicContact CD1-CE2 3.42Å; Y166-Y168 VanDerWaalsContact CD1-CE2 3.42Å; Y166-Y168 AromaticContact CD1-CG 3.9Å; Y166-Y168 HydrophobicContact CD1-CG 3.9Å; Y166-Y168 AromaticContact CD1-CZ 3.71Å; Y166-Y168 HydrophobicContact CE1-CD1 4.03Å; Y166-Y168 HydrophobicContact CE1-CD2 4.21Å; Y166-Y168 HydrophobicContact CE1-CE1 4.14Å; Y166-Y168 HydrophobicContact CE1-CE2 4.25Å; Y166-Y168 HydrophobicContact CE1-CG 4.06Å; Y166-Y168 HydrophobicContact CG-CE2 4.14Å; Y168-D174 CarbonylContact O-C 3.59Å; Y168-D174 VanDerWaalsContact O-CA 3.28Å; Y168-D174 WeakPolarHBondContact O-CA 3.44Å; Y168-D174 WeakPolarHBondContact O-CB 3.44Å; Y168-T175 PolarHBondContact N-O 3.27Å; Y168-T175 PolarHBondContact O-N 3.28Å; Y168-K177 HydrophobicContact CD2-CB 3.98Å; Y168-K177 HydrophobicContact CE2-CB 3.54Å; Y168-K177 HydrophobicContact CE2-CD 3.8Å; Y168-K177 HydrophobicContact CE2-CG 4.33Å; Y168-E268 HydrophobicContact CE1-CG 4.12Å; Y168-E268 PolarHBondContact OH-OE2 3.28Å
169	P	98.8	Very high	96.9	Very high	14 Å²	14	41 Å²	41	9%	0.091	21%	0.21	C	C	.	.			trans	-68.8	138	170.2	34.6	-39.7	0	0	0	109.8	D174 W247 A248 R251	P169-D174 WeakPolarHBondContact CA-OD1 3.42Å; P169-W247 HydrophobicContact CB-CB 4.35Å; P169-W247 VanDerWaalsContact CB-CD1 3.49Å; P169-W247 HydrophobicContact CB-CG 4.01Å; P169-W247 VanDerWaalsContact CG-CD1 3.43Å; P169-W247 HydrophobicContact CG-CD2 4.28Å; P169-W247 HydrophobicContact CG-CG 3.95Å; P169-A248 HydrophobicContact CB-CB 3.98Å; P169-A248 HydrophobicContact CG-CB 4.5Å; P169-R251 HydrophobicContact CG-CB 4.34Å
170	G	98.4	Very high	96	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	23%	0.232	C	C	.	.			trans	-129.1	158.7	170	0	0	0	0	0	110.4	R93 K172 T173 D174	R93-G170 VanDerWaalsContact CZ-O 3.23Å; R93-G170 PolarHBondContact NH1-O 3.13Å; R93-G170 PolarHBondContact NH2-O 3.3Å; G170-K172 VanDerWaalsContact C-N 3.29Å; G170-K172 PolarHBondContact O-N 2.79Å; G170-T173 WeakPolarHBondContact CA-O 3.13Å; G170-D174 PolarHBondContact N-OD1 3.29Å; G170-D174 VanDerWaalsContact N-OD1 3.09Å
171	L	98.1	Very high	94.6	Very high	81 Å²	81	50.1 Å²	50.1	42%	0.424	26%	0.261	S	S	.	.	S	Bend	trans	-61.9	-32.3	-172.7	-67.5	173.7	0	0	0	114.4	R93 T245 A248 Q249	R93-L171 PolarHBondContact NH2-O 3.18Å; L171-T245 PolarHBondContact O-OG1 3.22Å; L171-A248 HydrophobicContact CD2-CB 4.06Å; L171-Q249 HydrophobicContact CD2-CG 3.69Å
172	K	97.4	Very high	92.8	Very high	175 Å²	175	52.2 Å²	52.2	76%	0.761	28%	0.282	S	S	*	.	S	Bend	trans	-119.8	-36.8	-179.8	-64.2	-176.7	-179.6	179.8	0	112.6	R93 G170	R93-K172 WeakPolarHBondContact CD-O 3.37Å; G170-K172 VanDerWaalsContact C-N 3.29Å; G170-K172 PolarHBondContact O-N 2.79Å
173	T	98.3	Very high	90.6	Very high	60 Å²	60	56.8 Å²	56.8	37%	0.368	31%	0.31	S	S	.	.	S	Bend	trans	-143	132.9	-177.7	-50.5	0	0	0	0	107.7	E86 L90 G170	E86-T173 HydrophobicContact CG-CG2 4.26Å; L90-T173 HydrophobicContact CB-CG2 3.86Å; L90-T173 CarbonylContact O-C 3.59Å; L90-T173 WeakPolarHBondContact O-CA 3.45Å; G170-T173 WeakPolarHBondContact CA-O 3.13Å
174	D	98.8	Very high	88.5	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	35%	0.353	C	S	.	.			trans	-74.6	168.8	174.9	-71.7	7.3	0	0	0	110.8	L90 R93 R167 Y168 P169 G170 R244	L90-D174 HydrophobicContact CB-CB 4.26Å; L90-D174 HydrophobicContact CD2-CB 4.02Å; L90-D174 PolarHBondContact O-N 2.67Å; R93-D174 IonicContact CZ-OD1 3.32Å; R93-D174 IonicContact NH1-OD1 2.93Å; R93-D174 PolarHBondContact NH1-OD1 3.1Å; R167-D174 HydrophobicContact CG-CB 4.19Å; R167-D174 IonicContact CZ-OD2 2.8Å; R167-D174 IonicContact NE-OD2 3.48Å; R167-D174 PolarHBondContact NE-OD2 2.82Å; R167-D174 IonicContact NH2-OD2 3.6Å; R167-D174 PolarHBondContact NH2-OD2 3.32Å; Y168-D174 CarbonylContact O-C 3.59Å; Y168-D174 VanDerWaalsContact O-CA 3.28Å; Y168-D174 WeakPolarHBondContact O-CA 3.44Å; Y168-D174 WeakPolarHBondContact O-CB 3.44Å; P169-D174 WeakPolarHBondContact CA-OD1 3.42Å; G170-D174 PolarHBondContact N-OD1 3.29Å; G170-D174 VanDerWaalsContact N-OD1 3.09Å; D174-R244 IonicContact OD2-CZ 3.88Å; D174-R244 IonicContact OD2-NE 2.72Å; D174-R244 PolarHBondContact OD2-NE 3.48Å; D174-R244 IonicContact OD2-NH2 2.7Å; D174-R244 PolarHBondContact OD2-NH2 3.1Å
175	T	98.6	Very high	86.4	Confident	86 Å²	86	65.7 Å²	65.7	53%	0.528	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.1	175.1	-60.6	0	0	0	0	110.2	Y168	Y168-T175 PolarHBondContact N-O 3.27Å; Y168-T175 PolarHBondContact O-N 3.28Å
176	L	98.4	Very high	84.7	Confident	25 Å²	25	68.6 Å²	68.6	13%	0.131	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.1	168.5	174.8	59.6	0	0	0	109.1	L85 L90 P330	L85-L176 HydrophobicContact CD1-CD2 4.25Å; L85-L176 HydrophobicContact CD2-CB 4.46Å; L85-L176 HydrophobicContact CD2-CD2 4.03Å; L90-L176 HydrophobicContact CD2-CB 4.18Å; L176-P330 HydrophobicContact CD1-CB 4.24Å; L176-P330 HydrophobicContact CD1-CG 3.81Å; L176-P330 HydrophobicContact CD2-CB 4.03Å; L176-P330 HydrophobicContact CD2-CG 4.28Å
177	K	96.7	Very high	83.5	Confident	120 Å²	120	73 Å²	73	52%	0.522	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	170.2	-166.6	179.8	179	-177.1	0	108.7	S165 Y166 Y168	S165-K177 VanDerWaalsContact CA-O 3.32Å; S165-K177 WeakPolarHBondContact CA-O 3.33Å; Y166-K177 PolarHBondContact N-O 2.99Å; Y166-K177 PolarHBondContact O-N 2.98Å; Y168-K177 HydrophobicContact CD2-CB 3.98Å; Y168-K177 HydrophobicContact CE2-CB 3.54Å; Y168-K177 HydrophobicContact CE2-CD 3.8Å; Y168-K177 HydrophobicContact CE2-CG 4.33Å
178	T	92.4	Very high	83.1	Confident	45 Å²	45	76.1 Å²	76.1	28%	0.276	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.6	173.2	-56.3	0	0	0	0	108.4	R161 T164 S165 L180	R161-T178 HydrophobicContact CB-CG2 4.39Å; R161-T178 HydrophobicContact CG-CG2 3.9Å; T164-T178 WeakPolarHBondContact O-CA 3.33Å; T164-T178 WeakPolarHBondContact OG1-CG2 3.33Å; S165-T178 PolarHBondContact OG-OG1 3.11Å; T178-L180 HydrophobicContact CG2-CD1 4.49Å; T178-L180 HydrophobicContact CG2-CD2 3.55Å; T178-L180 HydrophobicContact CG2-CG 3.71Å
179	D	86.5	Confident	83	Confident	80 Å²	80	74.5 Å²	74.5	43%	0.428	44%	0.437	S	S	.	.			trans	-99.1	85.8	176.5	-165	-6.6	0	0	0	111	T164 N181 A182	T164-D179 VanDerWaalsContact CB-O 3.32Å; T164-D179 WeakPolarHBondContact CB-O 3.48Å; T164-D179 WeakPolarHBondContact CG2-O 3.24Å; T164-D179 PolarHBondContact O-N 3.41Å; D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact OD1-N 3.25Å; D179-A182 PolarHBondContact OD1-N 2.95Å
180	L	79.6	Confident	83	Confident	90 Å²	90	73.9 Å²	73.9	47%	0.471	43%	0.433	S	S	.	.	S	Bend	trans	-79.9	-12.7	178.4	-61.7	178.8	0	0	0	113.2	Y160 T178	Y160-L180 WeakPolarHBondContact O-CD2 3.3Å; T178-L180 HydrophobicContact CG2-CD1 4.49Å; T178-L180 HydrophobicContact CG2-CD2 3.55Å; T178-L180 HydrophobicContact CG2-CG 3.71Å
181	N	65.1	Low	83	Confident	144 Å²	144	73 Å²	73	77%	0.77	43%	0.425	S	S	*	.			trans	-116.8	10	-171.7	-70.3	-24.6	0	0	0	112.6	D179 T183	D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact OD1-N 3.25Å; N181-T183 PolarHBondContact O-N 3.28Å
182	A	59.2	Low	83.1	Confident	61 Å²	61	69.2 Å²	69.2	50%	0.504	40%	0.404	S	S	.	.			trans	-48.9	103.9	173.5	0	0	0	0	0	108	D179 S184	D179-A182 PolarHBondContact OD1-N 2.95Å; A182-S184 PolarHBondContact O-N 2.88Å
183	T	50.8	Low	83.1	Confident	97 Å²	97	60.9 Å²	60.9	60%	0.595	37%	0.368	S	S	*	.			trans	-58.6	144.2	180	46.7	0	0	0	0	107.4	N181 S185 A186	N181-T183 PolarHBondContact O-N 3.28Å; T183-S185 PolarHBondContact O-N 2.91Å; T183-S185 PolarHBondContact OG1-OG 2.8Å; T183-A186 PolarHBondContact O-N 2.86Å
184	S	53.3	Low	83.1	Confident	133 Å²	133	58.1 Å²	58.1	93%	0.93	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	15.9	178.1	-48.6	0	0	0	0	114.8	A182	A182-S184 PolarHBondContact O-N 2.88Å
185	S	50.2	Low	83.1	Confident	98 Å²	98	59.7 Å²	59.7	69%	0.685	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-21.6	-180	69.5	0	0	0	0	113.8	T183	T183-S185 PolarHBondContact O-N 2.91Å; T183-S185 PolarHBondContact OG1-OG 2.8Å
186	A	62.2	Low	83.1	Confident	63 Å²	63	57.3 Å²	57.3	52%	0.521	34%	0.342	S	S	.	.	S	Bend	trans	-76.5	133.7	173.6	0	0	0	0	0	110	T183 E188	T183-A186 PolarHBondContact O-N 2.86Å; A186-E188 PolarHBondContact O-N 3.46Å
187	P	73.9	Confident	83.1	Confident	98 Å²	98	56.4 Å²	56.4	64%	0.636	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-61.9	129.7	177.4	24	-31	0	0	0	110.2
188	E	90	Very high	83.2	Confident	67 Å²	67	50.8 Å²	50.8	31%	0.313	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-79.5	130.5	176.3	-72.8	-165.9	-148.8	0	0	110.5	K132 A186 V203 V204 I271	K132-E188 WeakPolarHBondContact CE-OE2 3.48Å; K132-E188 IonicContact NZ-OE1 2.74Å; K132-E188 PolarHBondContact NZ-OE1 2.97Å; K132-E188 IonicContact NZ-OE2 3.3Å; K132-E188 PolarHBondContact NZ-OE2 3.26Å; A186-E188 PolarHBondContact O-N 3.46Å; E188-V203 HydrophobicContact CB-CG2 3.87Å; E188-V203 WeakPolarHBondContact O-CG2 3.35Å; E188-V203 PolarHBondContact O-N 3.42Å; E188-V203 VanDerWaalsContact O-N 3.09Å; E188-V204 HydrophobicContact CB-CG2 4.16Å; E188-I271 HydrophobicContact CB-CD1 4.11Å; E188-I271 WeakPolarHBondContact OE2-CD1 3.4Å
189	H	96.5	Very high	83.5	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.032	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.8	177.5	66.1	-87.5	0	0	0	112.8	L200 L201 L266 S269 I271	H189-L200 HydrophobicContact CB-CG 4.16Å; H189-L201 WeakPolarHBondContact CA-O 3.43Å; H189-L201 WeakPolarHBondContact CB-O 3.31Å; H189-L266 PolarHBondContact NE2-O 2.85Å; H189-S269 PolarHBondContact CE1-OG 3.37Å; H189-S269 VanDerWaalsContact CE1-OG 3.25Å; H189-I271 PolarHBondContact O-N 3.12Å
190	V	98.4	Very high	84	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.6	167	-60.6	0	0	0	0	109.4	I125 V192 L201 V203 I271	I125-V190 HydrophobicContact CD1-CG2 4.45Å; V190-V192 HydrophobicContact CG2-CG2 4.28Å; V190-L201 HydrophobicContact CG2-CB 3.78Å; V190-L201 HydrophobicContact CG2-CD2 3.81Å; V190-L201 HydrophobicContact CG2-CG 3.99Å; V190-L201 PolarHBondContact N-O 2.98Å; V190-L201 PolarHBondContact O-N 3.02Å; V190-V203 HydrophobicContact CG1-CG1 3.99Å; V190-V203 HydrophobicContact CG2-CG1 4.01Å; V190-I271 HydrophobicContact CG1-CB 4.23Å
191	I	98.9	Very high	84.9	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.5	169.4	-64.3	-62.8	0	0	0	108.4	F198 F199 L200 I267 C270 C272 V273 V274 L369	I191-F198 HydrophobicContact CG2-CB 4.06Å; I191-F198 HydrophobicContact CG2-CD1 3.72Å; I191-F198 HydrophobicContact CG2-CG 4.35Å; I191-F199 CarbonylContact C-O 3.58Å; I191-F199 WeakPolarHBondContact CA-O 3.47Å; I191-L200 HydrophobicContact CD1-CB 4.42Å; I191-I267 HydrophobicContact CD1-CG1 4.37Å; I191-I267 HydrophobicContact CG1-CG1 4.15Å; I191-I267 HydrophobicContact CG2-CG1 4.49Å; I191-C270 HydrophobicContact CB-CB 4.49Å; I191-C270 HydrophobicContact CG1-CB 3.66Å; I191-C272 PolarHBondContact N-O 3.43Å; I191-C272 VanDerWaalsContact N-O 3.15Å; I191-V273 HydrophobicContact CB-CG2 4.49Å; I191-V273 HydrophobicContact CG2-CG1 4.47Å; I191-V273 CarbonylContact O-C 3.54Å; I191-V273 VanDerWaalsContact O-CA 3.25Å; I191-V273 WeakPolarHBondContact O-CA 3.36Å; I191-V274 PolarHBondContact O-N 2.93Å; I191-L369 HydrophobicContact CD1-CD1 4.07Å; I191-L369 HydrophobicContact CD1-CD2 4.1Å
192	V	98.9	Very high	86.3	Confident	0 Å²	0	37 Å²	37	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.6	174.8	-175.2	0	0	0	0	108.6	V190 F198 F199 L201 L219 I222 V274 L276	V190-V192 HydrophobicContact CG2-CG2 4.28Å; V192-F198 CarbonylContact O-C 3.53Å; V192-F198 WeakPolarHBondContact O-CA 3.33Å; V192-F199 PolarHBondContact N-O 3.04Å; V192-F199 PolarHBondContact O-N 3.35Å; V192-L201 HydrophobicContact CG2-CB 4.15Å; V192-L201 HydrophobicContact CG2-CD2 4.14Å; V192-L219 HydrophobicContact CG1-CD2 4.06Å; V192-L219 HydrophobicContact CG2-CD2 3.94Å; V192-I222 HydrophobicContact CB-CD1 3.94Å; V192-I222 HydrophobicContact CB-CG2 4.49Å; V192-I222 HydrophobicContact CG1-CD1 4.23Å; V192-I222 HydrophobicContact CG1-CG2 3.98Å; V192-I222 HydrophobicContact CG2-CD1 3.9Å; V192-V274 CarbonylContact C-O 3.6Å; V192-V274 VanDerWaalsContact CA-O 3.31Å; V192-V274 WeakPolarHBondContact CA-O 3.4Å; V192-L276 HydrophobicContact CG1-CD1 3.81Å; V192-L276 HydrophobicContact CG1-CG 3.97Å
193	A	98.9	Very high	88	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.4	172.9	0	0	0	0	0	109.1	Q197 F198 V273 V274 C275 L276 N305	A193-Q197 CarbonylContact C-O 3.56Å; A193-Q197 WeakPolarHBondContact CA-O 3.37Å; A193-F198 HydrophobicContact CB-CD1 3.88Å; A193-F198 HydrophobicContact CB-CE1 3.71Å; A193-V273 HydrophobicContact CB-CG1 4.18Å; A193-V274 PolarHBondContact N-O 2.85Å; A193-C275 WeakPolarHBondContact O-CA 3.19Å; A193-L276 PolarHBondContact O-N 3.07Å; A193-N305 WeakPolarHBondContact CB-OD1 3.47Å; A193-N305 PolarHBondContact O-ND2 2.9Å; A193-N305 PolarHBondContact O-OD1 3.4Å
194	C	98.5	Very high	89.8	Confident	3 Å²	3	32 Å²	32	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.1	178	-174.9	0	0	0	0	109.5	N196 Q197 I222 S226 L276 N305	C194-N196 PolarHBondContact O-N 2.88Å; C194-Q197 PolarHBondContact N-O 3.23Å; C194-Q197 WeakPolarHBondContact O-CB 3.39Å; C194-Q197 PolarHBondContact O-N 3.03Å; C194-I222 HydrophobicContact CB-CG2 4.07Å; C194-S226 PolarHBondContact SG-OG 3.06Å; C194-L276 HydrophobicContact CB-CB 4.19Å; C194-L276 HydrophobicContact CB-CD1 4.34Å; C194-N305 WeakPolarHBondContact CA-OD1 3.35Å; C194-N305 PolarHBondContact N-OD1 3.47Å; C194-N305 VanDerWaalsContact N-OD1 3.16Å
195	K	97.5	Very high	91.4	Very high	35 Å²	35	26.7 Å²	26.7	15%	0.152	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.2	-176.1	-56.5	-175	179.8	-177.6	0	112.4	Q197 E227 E278 N305	K195-Q197 PolarHBondContact O-N 3.05Å; K195-Q197 PolarHBondContact O-NE2 2.85Å; K195-E227 IonicContact NZ-OE1 2.77Å; K195-E278 WeakPolarHBondContact CE-OE1 3.28Å; K195-E278 HydrophobicContact CG-CG 4.33Å; K195-E278 IonicContact NZ-OE1 3.79Å; K195-N305 PolarHBondContact N-OD1 2.82Å
196	N	98.3	Very high	92.9	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.193	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	10.8	-177.1	-49.6	-40	0	0	0	115	C194 P235 A304 N305	C194-N196 PolarHBondContact O-N 2.88Å; N196-P235 HydrophobicContact CB-CB 3.87Å; N196-A304 HydrophobicContact CB-CB 4.26Å; N196-A304 WeakPolarHBondContact OD1-CB 3.31Å; N196-N305 PolarHBondContact N-OD1 3.31Å; N196-N305 VanDerWaalsContact N-OD1 3.15Å; N196-N305 WeakPolarHBondContact OD1-CA 3.41Å; N196-N305 WeakPolarHBondContact OD1-CB 3.31Å; N196-N305 PolarHBondContact OD1-N 3.35Å
197	Q	98.6	Very high	93.9	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.8	175.9	-48.9	-57.6	-70.9	0	0	109.5	A193 C194 K195 F199 L233	A193-Q197 CarbonylContact C-O 3.56Å; A193-Q197 WeakPolarHBondContact CA-O 3.37Å; C194-Q197 PolarHBondContact N-O 3.23Å; C194-Q197 WeakPolarHBondContact O-CB 3.39Å; C194-Q197 PolarHBondContact O-N 3.03Å; K195-Q197 PolarHBondContact O-N 3.05Å; K195-Q197 PolarHBondContact O-NE2 2.85Å; Q197-F199 HydrophobicContact CB-CD2 4.43Å; Q197-F199 HydrophobicContact CB-CE2 3.59Å; Q197-F199 HydrophobicContact CB-CZ 4.02Å; Q197-L233 PolarHBondContact NE2-O 2.96Å
198	F	98.8	Very high	94.6	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.7	-179.3	-61	-84.1	0	0	0	110.6	I191 V192 A193 R306 W307 L369	I191-F198 HydrophobicContact CG2-CB 4.06Å; I191-F198 HydrophobicContact CG2-CD1 3.72Å; I191-F198 HydrophobicContact CG2-CG 4.35Å; V192-F198 CarbonylContact O-C 3.53Å; V192-F198 WeakPolarHBondContact O-CA 3.33Å; A193-F198 HydrophobicContact CB-CD1 3.88Å; A193-F198 HydrophobicContact CB-CE1 3.71Å; F198-R306 WeakPolarHBondContact CZ-O 3.36Å; F198-W307 HydrophobicContact CE1-CB 4.5Å; F198-W307 HydrophobicContact CE1-CE3 4.44Å; F198-W307 HydrophobicContact CE2-CE3 4.5Å; F198-W307 HydrophobicContact CZ-CE3 4.11Å; F198-L369 HydrophobicContact CB-CB 4.19Å; F198-L369 HydrophobicContact CB-CD2 4.05Å; F198-L369 PolarHBondContact O-N 3.38Å
199	F	98.8	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.6	179.4	-60.3	-96.1	0	0	0	110.5	I191 V192 Q197 I222 M225 P366 R367 R368	I191-F199 CarbonylContact C-O 3.58Å; I191-F199 WeakPolarHBondContact CA-O 3.47Å; V192-F199 PolarHBondContact N-O 3.04Å; V192-F199 PolarHBondContact O-N 3.35Å; Q197-F199 HydrophobicContact CB-CD2 4.43Å; Q197-F199 HydrophobicContact CB-CE2 3.59Å; Q197-F199 HydrophobicContact CB-CZ 4.02Å; F199-I222 HydrophobicContact CB-CD1 4.03Å; F199-I222 HydrophobicContact CB-CG1 3.86Å; F199-I222 HydrophobicContact CB-CG2 4.4Å; F199-I222 HydrophobicContact CD1-CG1 4.23Å; F199-I222 HydrophobicContact CD2-CB 4.47Å; F199-I222 HydrophobicContact CD2-CG1 4.37Å; F199-I222 HydrophobicContact CD2-CG2 3.52Å; F199-I222 HydrophobicContact CE2-CG2 3.82Å; F199-I222 HydrophobicContact CG-CB 4.46Å; F199-I222 HydrophobicContact CG-CG1 3.91Å; F199-I222 HydrophobicContact CG-CG2 3.95Å; F199-M225 HydrophobicContact CD1-CE 4.35Å; F199-M225 HydrophobicContact CE1-CB 3.81Å; F199-M225 HydrophobicContact CE1-CE 3.95Å; F199-M225 HydrophobicContact CE1-SD 4.31Å; F199-M225 HydrophobicContact CZ-CB 4.04Å; F199-P366 HydrophobicContact CB-CB 4.49Å; F199-R367 CarbonylContact C-O 3.34Å; F199-R367 VanDerWaalsContact CA-O 3.3Å; F199-R367 WeakPolarHBondContact CA-O 3.5Å; F199-R368 HydrophobicContact CD1-CB 3.89Å; F199-R368 HydrophobicContact CD1-CG 4.26Å; F199-R368 HydrophobicContact CE1-CB 3.72Å; F199-R368 HydrophobicContact CE1-CG 3.85Å; F199-R368 HydrophobicContact CZ-CG 4.26Å
200	L	98.2	Very high	94.5	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122	168.1	-179.9	149.1	0	0	0	109.1	H189 I191 D202 L266 P366 R367 L369	H189-L200 HydrophobicContact CB-CG 4.16Å; I191-L200 HydrophobicContact CD1-CB 4.42Å; L200-D202 WeakPolarHBondContact CD2-OD2 3.38Å; L200-L266 HydrophobicContact CD1-CB 4.4Å; L200-L266 HydrophobicContact CD1-CD1 3.79Å; L200-L266 HydrophobicContact CD1-CD2 3.57Å; L200-L266 HydrophobicContact CD1-CG 4.1Å; L200-P366 WeakPolarHBondContact O-CA 3.3Å; L200-P366 WeakPolarHBondContact O-CB 3.37Å; L200-R367 HydrophobicContact CB-CB 4.43Å; L200-R367 PolarHBondContact N-O 3.2Å; L200-R367 PolarHBondContact O-N 3.28Å; L200-R367 VanDerWaalsContact O-N 3.16Å; L200-L369 HydrophobicContact CB-CD1 3.94Å
201	L	98	Very high	94.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103.5	171.3	173.7	60.6	0	0	0	108.9	I125 H189 V190 V192 V203 I215 Q218 L219 P366	I125-L201 HydrophobicContact CD1-CD2 4.28Å; H189-L201 WeakPolarHBondContact CA-O 3.43Å; H189-L201 WeakPolarHBondContact CB-O 3.31Å; V190-L201 HydrophobicContact CG2-CB 3.78Å; V190-L201 HydrophobicContact CG2-CD2 3.81Å; V190-L201 HydrophobicContact CG2-CG 3.99Å; V190-L201 PolarHBondContact N-O 2.98Å; V190-L201 PolarHBondContact O-N 3.02Å; V192-L201 HydrophobicContact CG2-CB 4.15Å; V192-L201 HydrophobicContact CG2-CD2 4.14Å; L201-V203 PolarHBondContact O-N 3.42Å; L201-I215 HydrophobicContact CD2-CG2 4.31Å; L201-Q218 HydrophobicContact CD1-CB 3.49Å; L201-Q218 VanDerWaalsContact CD1-CB 3.49Å; L201-Q218 HydrophobicContact CD1-CG 3.85Å; L201-L219 HydrophobicContact CD2-CD2 4.32Å; L201-P366 HydrophobicContact CD1-CG 4.28Å
202	D	95.4	Very high	93.9	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128.7	168.5	-63.9	-60.9	0	0	0	109.3	L200 L210	L200-D202 WeakPolarHBondContact CD2-OD2 3.38Å; D202-L210 WeakPolarHBondContact O-CD1 3.44Å
203	V	93.8	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-103	-2.2	179.9	-58.1	0	0	0	0	112.6	I125 L129 E188 V190 L201 Q209 L210 I271	I125-V203 HydrophobicContact CG2-CG1 4.3Å; L129-V203 HydrophobicContact CD1-CB 3.75Å; L129-V203 HydrophobicContact CD1-CG1 4.19Å; L129-V203 HydrophobicContact CD1-CG2 4.06Å; L129-V203 HydrophobicContact CD2-CB 4.08Å; L129-V203 HydrophobicContact CD2-CG1 4.43Å; L129-V203 HydrophobicContact CD2-CG2 3.5Å; L129-V203 VanDerWaalsContact CD2-CG2 3.5Å; L129-V203 HydrophobicContact CG-CG2 4.43Å; E188-V203 HydrophobicContact CB-CG2 3.87Å; E188-V203 WeakPolarHBondContact O-CG2 3.35Å; E188-V203 PolarHBondContact O-N 3.42Å; E188-V203 VanDerWaalsContact O-N 3.09Å; V190-V203 HydrophobicContact CG1-CG1 3.99Å; V190-V203 HydrophobicContact CG2-CG1 4.01Å; L201-V203 PolarHBondContact O-N 3.42Å; V203-Q209 CarbonylContact O-C 3.55Å; V203-Q209 WeakPolarHBondContact O-CA 3.49Å; V203-L210 PolarHBondContact O-N 3.34Å; V203-I271 HydrophobicContact CG2-CD1 4.13Å
204	V	89.8	Confident	93.4	Very high	53 Å²	53	43 Å²	43	32%	0.321	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.9	173.5	-179.3	0	0	0	0	108.4	E188	E188-V204 HydrophobicContact CB-CG2 4.16Å
205	A	85.8	Confident	93.4	Very high	21 Å²	21	42.9 Å²	42.9	17%	0.174	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.1	174.2	0	0	0	0	0	109.6	N207 K208 L210 R361 L363	A205-N207 VanDerWaalsContact C-N 3.26Å; A205-N207 PolarHBondContact O-N 3.44Å; A205-K208 PolarHBondContact N-O 3Å; A205-K208 PolarHBondContact O-N 3.47Å; A205-L210 HydrophobicContact CB-CD2 3.79Å; A205-R361 PolarHBondContact O-NH1 2.78Å; A205-L363 HydrophobicContact CB-CD2 3.74Å
206	N	82.8	Confident	93.4	Very high	143 Å²	143	42.6 Å²	42.6	77%	0.765	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	45.1	-177.5	-55.5	-21.7	0	0	0	112.6	K208	N206-K208 PolarHBondContact O-N 2.89Å; N206-K208 VanDerWaalsContact O-N 3.12Å
207	N	83.2	Confident	93.3	Very high	162 Å²	162	44.2 Å²	44.2	87%	0.866	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	19.6	-176.6	-57.5	-28.5	0	0	0	115.1	A205	A205-N207 VanDerWaalsContact C-N 3.26Å; A205-N207 PolarHBondContact O-N 3.44Å
208	K	87.5	Confident	93.3	Very high	144 Å²	144	44.5 Å²	44.5	63%	0.626	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.7	175.5	-69.9	-177.7	-179.4	-178.8	0	110.2	A205 N206 R361	A205-K208 PolarHBondContact N-O 3Å; A205-K208 PolarHBondContact O-N 3.47Å; N206-K208 PolarHBondContact O-N 2.89Å; N206-K208 VanDerWaalsContact O-N 3.12Å; K208-R361 PolarHBondContact O-NH1 2.92Å
209	Q	90.4	Very high	93.3	Very high	89 Å²	89	44.3 Å²	44.3	42%	0.416	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	143	173.2	-167.1	-179.5	-47.6	0	0	110.6	L129 V203 R361	L129-Q209 VanDerWaalsContact CB-NE2 3.32Å; L129-Q209 HydrophobicContact CD1-CG 3.87Å; V203-Q209 CarbonylContact O-C 3.55Å; V203-Q209 WeakPolarHBondContact O-CA 3.49Å; Q209-R361 PolarHBondContact O-NH2 2.86Å
210	L	93.3	Very high	93.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-68.5	142	173.3	-61	-167.5	0	0	0	110.7	D202 V203 A205 E214 I215 L363	D202-L210 WeakPolarHBondContact O-CD1 3.44Å; V203-L210 PolarHBondContact O-N 3.34Å; A205-L210 HydrophobicContact CB-CD2 3.79Å; L210-E214 WeakPolarHBondContact CA-OE2 3.49Å; L210-E214 HydrophobicContact CB-CB 4.17Å; L210-E214 HydrophobicContact CD2-CB 4.49Å; L210-I215 HydrophobicContact CB-CD1 4.17Å; L210-I215 HydrophobicContact CB-CG1 3.77Å; L210-I215 HydrophobicContact CD1-CG1 4.33Å; L210-L363 HydrophobicContact CD1-CD1 3.92Å; L210-L363 HydrophobicContact CD2-CD1 3.67Å; L210-L363 HydrophobicContact CD2-CD2 3.94Å; L210-L363 HydrophobicContact CD2-CG 4.48Å; L210-L363 HydrophobicContact CG-CD1 4.43Å
211	N	92.1	Very high	93.2	Very high	49 Å²	49	50 Å²	50	26%	0.262	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-85	171.1	172.5	69.1	55.1	0	0	0	111.8	A213 E214 I215	N211-A213 VanDerWaalsContact C-N 3.31Å; N211-A213 PolarHBondContact O-N 3.49Å; N211-A213 WeakPolarHBondContact OD1-CB 3.27Å; N211-A213 PolarHBondContact OD1-N 2.89Å; N211-E214 PolarHBondContact N-OE2 3.37Å; N211-E214 VanDerWaalsContact ND2-CD 3.3Å; N211-E214 PolarHBondContact ND2-OE2 3.07Å; N211-E214 PolarHBondContact O-N 3.42Å; N211-E214 PolarHBondContact OD1-N 3.35Å; N211-I215 PolarHBondContact O-N 2.79Å
212	E	93	Very high	93.2	Very high	48 Å²	48	50 Å²	50	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-42.7	-178.3	-177.6	-179.5	149.3	0	0	112.9	A122 R123 I215 F216	A122-E212 HydrophobicContact CB-CG 4.16Å; R123-E212 HydrophobicContact CG-CG 4.06Å; R123-E212 VanDerWaalsContact CG-OE1 3.25Å; R123-E212 WeakPolarHBondContact CG-OE1 3.21Å; R123-E212 WeakPolarHBondContact CG-OE2 3.26Å; R123-E212 IonicContact CZ-OE1 3.5Å; R123-E212 IonicContact NE-OE1 3.4Å; R123-E212 PolarHBondContact NE-OE1 2.87Å; R123-E212 IonicContact NE-OE2 3.63Å; R123-E212 IonicContact NH2-OE1 2.75Å; R123-E212 PolarHBondContact NH2-OE1 2.87Å; E212-I215 PolarHBondContact O-N 2.88Å; E212-F216 WeakPolarHBondContact O-CB 3.35Å; E212-F216 PolarHBondContact O-N 3.11Å
213	A	93.3	Very high	93.3	Very high	32 Å²	32	48.4 Å²	48.4	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-68.7	-39.9	-179.5	0	0	0	0	0	111.8	N211 F216 L217 T360	N211-A213 VanDerWaalsContact C-N 3.31Å; N211-A213 PolarHBondContact O-N 3.49Å; N211-A213 WeakPolarHBondContact OD1-CB 3.27Å; N211-A213 PolarHBondContact OD1-N 2.89Å; A213-F216 PolarHBondContact O-N 3.38Å; A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.35Å; A213-L217 PolarHBondContact O-N 3.4Å; A213-T360 HydrophobicContact CB-CG2 4.3Å
214	E	95.1	Very high	93.4	Very high	4 Å²	4	56 Å²	56	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-46.4	174.8	-72.8	173.1	151.6	0	0	111.2	L210 N211 L217 Q218 T360 R361 L363	L210-E214 WeakPolarHBondContact CA-OE2 3.49Å; L210-E214 HydrophobicContact CB-CB 4.17Å; L210-E214 HydrophobicContact CD2-CB 4.49Å; N211-E214 PolarHBondContact N-OE2 3.37Å; N211-E214 VanDerWaalsContact ND2-CD 3.3Å; N211-E214 PolarHBondContact ND2-OE2 3.07Å; N211-E214 PolarHBondContact O-N 3.42Å; N211-E214 PolarHBondContact OD1-N 3.35Å; E214-L217 PolarHBondContact O-N 2.95Å; E214-Q218 VanDerWaalsContact O-CG 3.27Å; E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.25Å; E214-T360 HydrophobicContact CG-CG2 4.42Å; E214-R361 WeakPolarHBondContact OE1-CB 3.39Å; E214-R361 IonicContact OE1-CZ 3.98Å; E214-R361 PolarHBondContact OE1-N 3.21Å; E214-R361 IonicContact OE1-NE 3.78Å; E214-R361 PolarHBondContact OE1-NE 3.3Å; E214-R361 IonicContact OE1-NH2 3.8Å; E214-R361 PolarHBondContact OE1-NH2 3.37Å; E214-R361 IonicContact OE2-CZ 2.75Å; E214-R361 IonicContact OE2-NE 3.62Å; E214-R361 IonicContact OE2-NH2 3.84Å; E214-R361 PolarHBondContact OE2-NH2 3.31Å; E214-L363 HydrophobicContact CB-CD1 3.82Å; E214-L363 HydrophobicContact CG-CD1 4.05Å
215	I	97.2	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-45.2	176.5	-69	162.2	0	0	0	110.6	A122 I125 C126 L201 L210 N211 E212 L217 Q218 L219	A122-I215 HydrophobicContact CB-CB 4.17Å; A122-I215 HydrophobicContact CB-CG2 3.79Å; I125-I215 HydrophobicContact CB-CD1 4.45Å; I125-I215 HydrophobicContact CB-CG2 4.27Å; I125-I215 HydrophobicContact CD1-CG2 3.8Å; I125-I215 HydrophobicContact CG2-CD1 3.87Å; I125-I215 HydrophobicContact CG2-CG2 4.34Å; C126-I215 VanDerWaalsContact SG-CD1 3.55Å; L201-I215 HydrophobicContact CD2-CG2 4.31Å; L210-I215 HydrophobicContact CB-CD1 4.17Å; L210-I215 HydrophobicContact CB-CG1 3.77Å; L210-I215 HydrophobicContact CD1-CG1 4.33Å; N211-I215 PolarHBondContact O-N 2.79Å; E212-I215 PolarHBondContact O-N 2.88Å; I215-L217 PolarHBondContact O-N 3.4Å; I215-Q218 PolarHBondContact O-N 3.36Å; I215-Q218 VanDerWaalsContact O-N 3.15Å; I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 HydrophobicContact CG2-CG 4.24Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 3.01Å
216	F	97.3	Very high	94.3	Very high	29 Å²	29	54.9 Å²	54.9	13%	0.127	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-48.1	176.2	169.3	-96.2	0	0	0	112.2	K115 L118 R119 A122 E212 A213 Q218 L219 E220	K115-F216 HydrophobicContact CB-CE2 4.29Å; K115-F216 HydrophobicContact CB-CZ 4.31Å; K115-F216 HydrophobicContact CG-CZ 4.48Å; L118-F216 HydrophobicContact CB-CD2 3.89Å; L118-F216 HydrophobicContact CB-CE2 3.83Å; R119-F216 HydrophobicContact CB-CD2 4.45Å; R119-F216 HydrophobicContact CG-CD2 3.66Å; R119-F216 HydrophobicContact CG-CE2 3.7Å; R119-F216 HydrophobicContact CG-CG 4.49Å; A122-F216 HydrophobicContact CB-CB 4.02Å; E212-F216 WeakPolarHBondContact O-CB 3.35Å; E212-F216 PolarHBondContact O-N 3.11Å; A213-F216 PolarHBondContact O-N 3.38Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.29Å; F216-L219 WeakPolarHBondContact O-CB 3.4Å; F216-L219 PolarHBondContact O-N 3.11Å; F216-L219 VanDerWaalsContact O-N 3.15Å; F216-E220 HydrophobicContact CE1-CG 3.98Å; F216-E220 WeakPolarHBondContact CE1-OE2 3.42Å; F216-E220 HydrophobicContact CE2-CG 4.2Å; F216-E220 HydrophobicContact CZ-CG 3.77Å; F216-E220 WeakPolarHBondContact CZ-OE1 3.35Å; F216-E220 PolarHBondContact O-N 3.33Å
217	L	96.8	Very high	94.9	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.366	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-36.8	178	-71	172.2	0	0	0	112.2	A213 E214 I215 E220 K221 T360	A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.35Å; A213-L217 PolarHBondContact O-N 3.4Å; E214-L217 PolarHBondContact O-N 2.95Å; I215-L217 PolarHBondContact O-N 3.4Å; L217-E220 PolarHBondContact O-N 3.03Å; L217-K221 WeakPolarHBondContact O-CG 3.4Å; L217-K221 PolarHBondContact O-N 3.31Å; L217-K221 VanDerWaalsContact O-N 3.14Å; L217-T360 HydrophobicContact CD1-CG2 4.15Å
218	Q	98.2	Very high	95.4	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-37.5	175.3	-64.6	-67.8	103.4	0	0	111.7	L201 E214 I215 F216 K221 I222 L363 P364 P366	L201-Q218 HydrophobicContact CD1-CB 3.49Å; L201-Q218 VanDerWaalsContact CD1-CB 3.49Å; L201-Q218 HydrophobicContact CD1-CG 3.85Å; E214-Q218 VanDerWaalsContact O-CG 3.27Å; E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.25Å; I215-Q218 PolarHBondContact O-N 3.36Å; I215-Q218 VanDerWaalsContact O-N 3.15Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.29Å; Q218-K221 WeakPolarHBondContact O-CB 3.26Å; Q218-K221 PolarHBondContact O-N 3.3Å; Q218-I222 WeakPolarHBondContact O-CG1 3.31Å; Q218-I222 PolarHBondContact O-N 3.06Å; Q218-L363 HydrophobicContact CG-CD1 4.27Å; Q218-P364 PolarHBondContact NE2-O 3.1Å; Q218-P364 PolarHBondContact OE1-O 3.39Å; Q218-P366 HydrophobicContact CB-CG 3.91Å; Q218-P366 HydrophobicContact CG-CG 4.49Å; Q218-P366 VanDerWaalsContact NE2-CD 3.27Å; Q218-P366 VanDerWaalsContact NE2-CG 3.34Å
219	L	98.6	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-38.1	174.1	-66.6	173.7	0	0	0	112.1	L118 A121 A122 I125 V192 L201 I215 F216 K221 I222 M223 L276	L118-L219 HydrophobicContact CB-CB 4.5Å; L118-L219 HydrophobicContact CD1-CB 4.46Å; L118-L219 HydrophobicContact CD2-CB 4.16Å; A121-L219 HydrophobicContact CB-CD1 3.79Å; A122-L219 HydrophobicContact CB-CD1 4.18Å; I125-L219 HydrophobicContact CD1-CD1 4.27Å; I125-L219 HydrophobicContact CD1-CD2 4.31Å; V192-L219 HydrophobicContact CG1-CD2 4.06Å; V192-L219 HydrophobicContact CG2-CD2 3.94Å; L201-L219 HydrophobicContact CD2-CD2 4.32Å; I215-L219 HydrophobicContact CG2-CD1 4Å; I215-L219 HydrophobicContact CG2-CG 4.24Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 3.01Å; F216-L219 WeakPolarHBondContact O-CB 3.4Å; F216-L219 PolarHBondContact O-N 3.11Å; F216-L219 VanDerWaalsContact O-N 3.15Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.47Å; L219-I222 HydrophobicContact CD2-CD1 4.32Å; L219-I222 PolarHBondContact O-N 3.26Å; L219-M223 WeakPolarHBondContact O-CB 3.43Å; L219-M223 PolarHBondContact O-N 3.22Å; L219-L276 HydrophobicContact CD2-CD1 4.39Å
220	E	97.8	Very high	95.8	Very high	53 Å²	53	49.6 Å²	49.6	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-41.3	172.1	-78.6	-170.1	126.9	0	0	111.4	K115 L118 F216 L217 M223 K224	K115-E220 VanDerWaalsContact CE-OE1 3.31Å; K115-E220 WeakPolarHBondContact CE-OE1 3.39Å; K115-E220 IonicContact NZ-OE1 2.77Å; L118-E220 HydrophobicContact CD1-CB 4.41Å; L118-E220 HydrophobicContact CD1-CG 3.75Å; F216-E220 HydrophobicContact CE1-CG 3.98Å; F216-E220 WeakPolarHBondContact CE1-OE2 3.42Å; F216-E220 HydrophobicContact CE2-CG 4.2Å; F216-E220 HydrophobicContact CZ-CG 3.77Å; F216-E220 WeakPolarHBondContact CZ-OE1 3.35Å; F216-E220 PolarHBondContact O-N 3.33Å; L217-E220 PolarHBondContact O-N 3.03Å; E220-M223 PolarHBondContact O-N 3.34Å; E220-K224 PolarHBondContact O-N 2.64Å
221	K	98	Very high	95.8	Very high	73 Å²	73	53.7 Å²	53.7	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-45.4	173.8	-68.1	171.8	-172.4	171.9	0	111.4	L217 Q218 L219 M223 K224 M225 L363 P365	L217-K221 WeakPolarHBondContact O-CG 3.4Å; L217-K221 PolarHBondContact O-N 3.31Å; L217-K221 VanDerWaalsContact O-N 3.14Å; Q218-K221 WeakPolarHBondContact O-CB 3.26Å; Q218-K221 PolarHBondContact O-N 3.3Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.47Å; K221-M223 PolarHBondContact O-N 3.2Å; K221-K224 PolarHBondContact O-N 3.07Å; K221-M225 WeakPolarHBondContact O-CB 3.41Å; K221-M225 WeakPolarHBondContact O-CG 3.3Å; K221-M225 PolarHBondContact O-N 3.4Å; K221-L363 PolarHBondContact NZ-O 2.83Å; K221-P365 HydrophobicContact CD-CB 4.4Å
222	I	98.5	Very high	95.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-46.9	177.7	-75.8	159.1	0	0	0	111.3	V192 C194 F199 Q218 L219 K224 M225 S226 P366	V192-I222 HydrophobicContact CB-CD1 3.94Å; V192-I222 HydrophobicContact CB-CG2 4.49Å; V192-I222 HydrophobicContact CG1-CD1 4.23Å; V192-I222 HydrophobicContact CG1-CG2 3.98Å; V192-I222 HydrophobicContact CG2-CD1 3.9Å; C194-I222 HydrophobicContact CB-CG2 4.07Å; F199-I222 HydrophobicContact CB-CD1 4.03Å; F199-I222 HydrophobicContact CB-CG1 3.86Å; F199-I222 HydrophobicContact CB-CG2 4.4Å; F199-I222 HydrophobicContact CD1-CG1 4.23Å; F199-I222 HydrophobicContact CD2-CB 4.47Å; F199-I222 HydrophobicContact CD2-CG1 4.37Å; F199-I222 HydrophobicContact CD2-CG2 3.52Å; F199-I222 HydrophobicContact CE2-CG2 3.82Å; F199-I222 HydrophobicContact CG-CB 4.46Å; F199-I222 HydrophobicContact CG-CG1 3.91Å; F199-I222 HydrophobicContact CG-CG2 3.95Å; Q218-I222 WeakPolarHBondContact O-CG1 3.31Å; Q218-I222 PolarHBondContact O-N 3.06Å; L219-I222 HydrophobicContact CD2-CD1 4.32Å; L219-I222 PolarHBondContact O-N 3.26Å; I222-K224 VanDerWaalsContact C-N 3.34Å; I222-K224 PolarHBondContact O-N 3.39Å; I222-M225 PolarHBondContact O-N 3.26Å; I222-S226 WeakPolarHBondContact O-CB 3.24Å; I222-S226 PolarHBondContact O-N 3.32Å; I222-P366 HydrophobicContact CD1-CB 3.74Å; I222-P366 HydrophobicContact CD1-CG 3.75Å; I222-P366 HydrophobicContact CG1-CB 3.62Å; I222-P366 HydrophobicContact CG1-CG 3.71Å
223	M	96.9	Very high	96.1	Very high	30 Å²	30	57.4 Å²	57.4	15%	0.148	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-46.7	177.6	-172.7	105.5	153.1	0	0	111.4	H114 L118 L219 E220 K221 S226 E227	H114-M223 HydrophobicContact CB-CE 3.35Å; L118-M223 HydrophobicContact CD1-CB 4.42Å; L118-M223 HydrophobicContact CD2-SD 4.35Å; L219-M223 WeakPolarHBondContact O-CB 3.43Å; L219-M223 PolarHBondContact O-N 3.22Å; E220-M223 PolarHBondContact O-N 3.34Å; K221-M223 PolarHBondContact O-N 3.2Å; M223-S226 PolarHBondContact O-N 2.88Å; M223-S226 PolarHBondContact O-OG 3.49Å; M223-E227 WeakPolarHBondContact O-CG 3.4Å; M223-E227 PolarHBondContact O-N 2.97Å
224	K	96.9	Very high	96.3	Very high	160 Å²	160	57.7 Å²	57.7	70%	0.696	28%	0.282	S	S	*	.	H	α-helix	trans	-65.3	-39.6	177.3	-173.9	177.7	-179.9	-180	0	112.3	E220 K221 I222 E227	E220-K224 PolarHBondContact O-N 2.64Å; K221-K224 PolarHBondContact O-N 3.07Å; I222-K224 VanDerWaalsContact C-N 3.34Å; I222-K224 PolarHBondContact O-N 3.39Å; K224-E227 PolarHBondContact O-N 3.25Å
225	M	97.6	Very high	96.5	Very high	49 Å²	49	59.8 Å²	59.8	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-37.3	176.8	-69.9	168.5	75.9	0	0	111.5	F199 K221 I222 E227 N228 R368	F199-M225 HydrophobicContact CD1-CE 4.35Å; F199-M225 HydrophobicContact CE1-CB 3.81Å; F199-M225 HydrophobicContact CE1-CE 3.95Å; F199-M225 HydrophobicContact CE1-SD 4.31Å; F199-M225 HydrophobicContact CZ-CB 4.04Å; K221-M225 WeakPolarHBondContact O-CB 3.41Å; K221-M225 WeakPolarHBondContact O-CG 3.3Å; K221-M225 PolarHBondContact O-N 3.4Å; I222-M225 PolarHBondContact O-N 3.26Å; M225-E227 PolarHBondContact O-N 3.16Å; M225-N228 PolarHBondContact O-N 3.21Å; M225-R368 PolarHBondContact O-NH2 2.9Å
226	S	96.1	Very high	96.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.5	-17.5	180	77.1	0	0	0	0	113.5	C194 I222 M223	C194-S226 PolarHBondContact SG-OG 3.06Å; I222-S226 WeakPolarHBondContact O-CB 3.24Å; I222-S226 PolarHBondContact O-N 3.32Å; M223-S226 PolarHBondContact O-N 2.88Å; M223-S226 PolarHBondContact O-OG 3.49Å
227	E	94.9	Very high	96.6	Very high	113 Å²	113	58.5 Å²	58.5	53%	0.528	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.1	172.5	-75.1	169.5	174.9	0	0	113.7	K195 M223 K224 M225 A229	K195-E227 IonicContact NZ-OE1 2.77Å; M223-E227 WeakPolarHBondContact O-CG 3.4Å; M223-E227 PolarHBondContact O-N 2.97Å; K224-E227 PolarHBondContact O-N 3.25Å; M225-E227 PolarHBondContact O-N 3.16Å; E227-A229 PolarHBondContact O-N 3.48Å; E227-A229 VanDerWaalsContact O-N 3.09Å
228	N	94.9	Very high	96.7	Very high	52 Å²	52	55.3 Å²	55.3	28%	0.278	27%	0.273	S	S	.	.			trans	-69.9	108.1	177.9	-171.4	-10	0	0	0	110.7	M225 E230 E231 R232	M225-N228 PolarHBondContact O-N 3.21Å; N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 2.85Å; N228-E230 PolarHBondContact OD1-N 3.34Å; N228-E231 HydrophobicContact CB-CB 4.43Å; N228-E231 PolarHBondContact ND2-OE1 2.7Å; N228-E231 PolarHBondContact O-N 3.02Å; N228-R232 PolarHBondContact O-N 3.03Å
229	A	92.6	Very high	96.7	Very high	76 Å²	76	54.8 Å²	54.8	63%	0.628	27%	0.271	S	S	*	.	S	Bend	trans	-67.4	-30.3	-179.4	0	0	0	0	0	113.3	E227 E231 R232	E227-A229 PolarHBondContact O-N 3.48Å; E227-A229 VanDerWaalsContact O-N 3.09Å; A229-E231 VanDerWaalsContact C-N 3.3Å; A229-E231 PolarHBondContact O-N 2.64Å; A229-R232 WeakPolarHBondContact O-CB 3.29Å; A229-R232 PolarHBondContact O-N 3.44Å
230	E	93.6	Very high	96.8	Very high	187 Å²	187	54.8 Å²	54.8	87%	0.874	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-27.9	-178.8	-61.8	-177.1	172.6	0	0	112.3	N228	N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 2.85Å; N228-E230 PolarHBondContact OD1-N 3.34Å
231	E	92.8	Very high	96.8	Very high	91 Å²	91	52.3 Å²	52.3	43%	0.425	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.6	178.5	-67.6	176.5	-148.4	0	0	113.3	N228 A229 L233 R368	N228-E231 HydrophobicContact CB-CB 4.43Å; N228-E231 PolarHBondContact ND2-OE1 2.7Å; N228-E231 PolarHBondContact O-N 3.02Å; A229-E231 VanDerWaalsContact C-N 3.3Å; A229-E231 PolarHBondContact O-N 2.64Å; E231-L233 PolarHBondContact O-N 2.94Å; E231-R368 PolarHBondContact O-NH1 2.91Å; E231-R368 IonicContact OE2-CZ 2.81Å; E231-R368 IonicContact OE2-NE 3.96Å; E231-R368 PolarHBondContact OE2-NE 3.41Å; E231-R368 IonicContact OE2-NH2 2.99Å; E231-R368 PolarHBondContact OE2-NH2 3.41Å
232	R	95	Very high	96.8	Very high	134 Å²	134	49 Å²	49	51%	0.506	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-70.9	122	-176.3	-178.6	174.1	-85	-176.4	-8.2	110.3	N228 A229	N228-R232 PolarHBondContact O-N 3.03Å; A229-R232 WeakPolarHBondContact O-CB 3.29Å; A229-R232 PolarHBondContact O-N 3.44Å
233	L	96.9	Very high	96.8	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.215	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-93.4	157.4	174.8	-59.5	176.9	0	0	0	110.8	Q197 E231 L369 W371	Q197-L233 PolarHBondContact NE2-O 2.96Å; E231-L233 PolarHBondContact O-N 2.94Å; L233-L369 VanDerWaalsContact CD1-O 3.31Å; L233-L369 WeakPolarHBondContact CD1-O 3.48Å; L233-W371 HydrophobicContact CD1-CB 4.37Å
234	P	97.7	Very high	96.9	Very high	39 Å²	39	48 Å²	48	25%	0.253	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-53.7	156.9	172.3	-26.5	34	0	0	0	113.2	F236 C373 L381	P234-F236 VanDerWaalsContact C-N 3.32Å; P234-F236 HydrophobicContact CB-CD2 4.27Å; P234-F236 HydrophobicContact CB-CE2 3.83Å; P234-F236 HydrophobicContact CG-CE2 4.14Å; P234-F236 WeakPolarHBondContact O-CD2 3.43Å; P234-F236 PolarHBondContact O-N 2.92Å; P234-C373 HydrophobicContact CG-CB 4.05Å; P234-L381 HydrophobicContact CB-CD1 3.63Å
235	P	97.9	Very high	97	Very high	48 Å²	48	41.9 Å²	41.9	31%	0.312	22%	0.219	S	C	.	.			trans	-79.5	67.5	-171.7	32.6	-36.8	0	0	0	113.3	N196 G237 I238 A304	N196-P235 HydrophobicContact CB-CB 3.87Å; P235-G237 PolarHBondContact O-N 3.4Å; P235-I238 WeakPolarHBondContact O-CB 3.5Å; P235-I238 WeakPolarHBondContact O-CG2 3.42Å; P235-I238 PolarHBondContact O-N 3.41Å; P235-A304 HydrophobicContact CB-CB 3.65Å
236	F	98.6	Very high	97.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.5	-25.4	-172.8	-79.1	-93.2	0	0	0	115.6	P234 I238 L239 L254 W371 C373 V377	P234-F236 VanDerWaalsContact C-N 3.32Å; P234-F236 HydrophobicContact CB-CD2 4.27Å; P234-F236 HydrophobicContact CB-CE2 3.83Å; P234-F236 HydrophobicContact CG-CE2 4.14Å; P234-F236 WeakPolarHBondContact O-CD2 3.43Å; P234-F236 PolarHBondContact O-N 2.92Å; F236-I238 PolarHBondContact O-N 3.32Å; F236-L239 HydrophobicContact CD1-CD1 4.12Å; F236-L239 PolarHBondContact O-N 2.96Å; F236-L254 HydrophobicContact CD1-CD1 4.35Å; F236-L254 HydrophobicContact CD1-CD2 3.88Å; F236-L254 HydrophobicContact CE1-CD2 3.53Å; F236-W371 HydrophobicContact CB-CD2 4.09Å; F236-W371 HydrophobicContact CB-CE3 4.4Å; F236-W371 HydrophobicContact CB-CG 4.48Å; F236-W371 HydrophobicContact CB-CZ2 4.39Å; F236-W371 HydrophobicContact CD1-CB 4.42Å; F236-W371 AromaticContact CD1-CD2 3.94Å; F236-W371 HydrophobicContact CD1-CD2 3.94Å; F236-W371 AromaticContact CD1-CE3 3.67Å; F236-W371 HydrophobicContact CD1-CE3 3.67Å; F236-W371 HydrophobicContact CD1-CG 4.28Å; F236-W371 HydrophobicContact CD1-CZ3 4.27Å; F236-W371 HydrophobicContact CD2-CB 3.54Å; F236-W371 AromaticContact CD2-CD1 3.81Å; F236-W371 AromaticContact CD2-CD2 3.86Å; F236-W371 HydrophobicContact CD2-CD2 3.86Å; F236-W371 HydrophobicContact CD2-CE3 4.42Å; F236-W371 AromaticContact CD2-CG 3.44Å; F236-W371 HydrophobicContact CD2-CG 3.44Å; F236-W371 VanDerWaalsContact CD2-CG 3.44Å; F236-W371 HydrophobicContact CE1-CB 4.08Å; F236-W371 HydrophobicContact CE1-CD2 4.36Å; F236-W371 HydrophobicContact CE1-CE3 4.02Å; F236-W371 HydrophobicContact CE1-CG 4.42Å; F236-W371 HydrophobicContact CE2-CB 3.18Å; F236-W371 HydrophobicContact CE2-CD2 4.34Å; F236-W371 AromaticContact CE2-CG 3.67Å; F236-W371 HydrophobicContact CE2-CG 3.67Å; F236-W371 HydrophobicContact CG-CB 4.19Å; F236-W371 AromaticContact CG-CD2 3.68Å; F236-W371 HydrophobicContact CG-CD2 3.68Å; F236-W371 AromaticContact CG-CE3 3.91Å; F236-W371 HydrophobicContact CG-CE3 3.91Å; F236-W371 AromaticContact CG-CG 3.81Å; F236-W371 HydrophobicContact CG-CG 3.81Å; F236-W371 HydrophobicContact CZ-CB 3.49Å; F236-W371 VanDerWaalsContact CZ-CB 3.49Å; F236-W371 HydrophobicContact CZ-CG 4.17Å; F236-C373 HydrophobicContact CE2-CB 4.49Å; F236-C373 HydrophobicContact CZ-CB 3.91Å; F236-V377 HydrophobicContact CE1-CG1 3.66Å; F236-V377 HydrophobicContact CZ-CG1 4.13Å
237	G	98.7	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.7	-27.6	176.1	0	0	0	0	0	114	P235 L239 T240 R306	P235-G237 PolarHBondContact O-N 3.4Å; G237-L239 PolarHBondContact O-N 3.41Å; G237-T240 PolarHBondContact O-N 3.39Å; G237-T240 VanDerWaalsContact O-N 3.1Å; G237-T240 PolarHBondContact O-OG1 2.84Å; G237-R306 VanDerWaalsContact CA-O 3.27Å; G237-R306 WeakPolarHBondContact CA-O 3.43Å
238	I	98.9	Very high	97.4	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.015	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27	180	-159.8	67.8	0	0	0	112.7	P235 F236 T240 S241 R299 A304 L381 L388	P235-I238 WeakPolarHBondContact O-CB 3.5Å; P235-I238 WeakPolarHBondContact O-CG2 3.42Å; P235-I238 PolarHBondContact O-N 3.41Å; F236-I238 PolarHBondContact O-N 3.32Å; I238-T240 PolarHBondContact O-N 3.09Å; I238-S241 PolarHBondContact O-N 3.3Å; I238-S241 VanDerWaalsContact O-N 3.14Å; I238-S241 PolarHBondContact O-OG 3.49Å; I238-R299 HydrophobicContact CD1-CB 4.43Å; I238-A304 HydrophobicContact CB-CB 3.94Å; I238-A304 HydrophobicContact CD1-CB 4.06Å; I238-L381 HydrophobicContact CG2-CB 4.35Å; I238-L381 HydrophobicContact CG2-CD2 3.56Å; I238-L388 HydrophobicContact CD1-CB 4.23Å; I238-L388 HydrophobicContact CD1-CD2 3.4Å; I238-L388 HydrophobicContact CD1-CG 4.43Å
239	L	98.9	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.2	-29.6	179.5	-59.8	171.6	0	0	0	111.6	F236 G237 S241 D242 W247 A250 L254 L380 L381	F236-L239 HydrophobicContact CD1-CD1 4.12Å; F236-L239 PolarHBondContact O-N 2.96Å; G237-L239 PolarHBondContact O-N 3.41Å; L239-S241 VanDerWaalsContact C-N 3.27Å; L239-S241 PolarHBondContact O-N 2.72Å; L239-D242 WeakPolarHBondContact O-CB 3.33Å; L239-D242 PolarHBondContact O-N 2.96Å; L239-W247 HydrophobicContact CB-CD2 4.42Å; L239-W247 HydrophobicContact CB-CE3 3.46Å; L239-W247 VanDerWaalsContact CB-CE3 3.46Å; L239-W247 HydrophobicContact CB-CH2 4.31Å; L239-W247 HydrophobicContact CB-CZ3 3.41Å; L239-W247 VanDerWaalsContact CB-CZ3 3.41Å; L239-W247 HydrophobicContact CD1-CZ3 3.93Å; L239-W247 HydrophobicContact CG-CZ3 4.29Å; L239-A250 HydrophobicContact CD2-CB 4.21Å; L239-L254 HydrophobicContact CD1-CD1 3.8Å; L239-L254 HydrophobicContact CD1-CD2 4.35Å; L239-L254 HydrophobicContact CD1-CG 4.35Å; L239-L380 HydrophobicContact CD2-CB 4.07Å; L239-L381 HydrophobicContact CD1-CD2 3.84Å; L239-L381 HydrophobicContact CD2-CD2 3.73Å; L239-L381 HydrophobicContact CD2-CG 4.1Å; L239-L381 HydrophobicContact CG-CD2 3.56Å; L239-L381 HydrophobicContact CG-CG 4.39Å
240	T	98.9	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-75.6	-16.1	179.1	71.9	0	0	0	0	113.1	G237 I238 D242 W247 W307 Y308	G237-T240 PolarHBondContact O-N 3.39Å; G237-T240 VanDerWaalsContact O-N 3.1Å; G237-T240 PolarHBondContact O-OG1 2.84Å; I238-T240 PolarHBondContact O-N 3.09Å; T240-D242 PolarHBondContact O-N 3.14Å; T240-W247 HydrophobicContact CG2-CH2 4.42Å; T240-W247 HydrophobicContact CG2-CZ2 3.82Å; T240-W307 HydrophobicContact CG2-CD2 3.61Å; T240-W307 HydrophobicContact CG2-CE3 3.75Å; T240-W307 HydrophobicContact CG2-CG 4.17Å; T240-W307 HydrophobicContact CG2-CH2 3.98Å; T240-W307 HydrophobicContact CG2-CZ2 3.84Å; T240-W307 HydrophobicContact CG2-CZ3 3.93Å; T240-Y308 WeakPolarHBondContact O-CB 3.12Å; T240-Y308 WeakPolarHBondContact OG1-CD2 3.31Å; T240-Y308 PolarHBondContact OG1-N 3.2Å
241	S	98.8	Very high	98.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-81.9	-2.4	177.7	78.5	0	0	0	0	113.1	A95 I238 L239	A95-S241 VanDerWaalsContact CB-O 3.3Å; A95-S241 WeakPolarHBondContact CB-O 3.46Å; I238-S241 PolarHBondContact O-N 3.3Å; I238-S241 VanDerWaalsContact O-N 3.14Å; I238-S241 PolarHBondContact O-OG 3.49Å; L239-S241 VanDerWaalsContact C-N 3.27Å; L239-S241 PolarHBondContact O-N 2.72Å
242	D	98.6	Very high	98.4	Very high	4 Å²	4	30 Å²	30	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	-85.5	171.4	-175.9	-146.1	-22	0	0	0	112.9	A95 L239 T240 E246 S384 R387	A95-D242 VanDerWaalsContact CA-O 3.31Å; A95-D242 WeakPolarHBondContact CA-O 3.49Å; A95-D242 WeakPolarHBondContact CB-O 3.35Å; L239-D242 WeakPolarHBondContact O-CB 3.33Å; L239-D242 PolarHBondContact O-N 2.96Å; T240-D242 PolarHBondContact O-N 3.14Å; D242-E246 HydrophobicContact CB-CB 4.32Å; D242-S384 WeakPolarHBondContact OD2-CA 3.41Å; D242-S384 WeakPolarHBondContact OD2-CB 3.24Å; D242-S384 PolarHBondContact OD2-OG 3.32Å; D242-R387 WeakPolarHBondContact OD1-CD 3.5Å; D242-R387 IonicContact OD1-CZ 3.48Å; D242-R387 IonicContact OD1-NE 3.56Å; D242-R387 PolarHBondContact OD1-NE 2.99Å; D242-R387 IonicContact OD1-NH2 3.83Å; D242-R387 IonicContact OD2-CZ 2.7Å; D242-R387 IonicContact OD2-NE 3.3Å; D242-R387 PolarHBondContact OD2-NE 2.81Å; D242-R387 IonicContact OD2-NH2 2.67Å; D242-R387 PolarHBondContact OD2-NH2 3.09Å
243	G	98.8	Very high	98.5	Very high	9 Å²	9	24.3 Å²	24.3	9%	0.093	13%	0.129	C	C	.	.			trans	-52	145.6	166.8	0	0	0	0	0	110.9	T245 E246 W247	G243-T245 PolarHBondContact O-N 3.41Å; G243-T245 VanDerWaalsContact O-N 3.15Å; G243-E246 VanDerWaalsContact C-OE2 3.25Å; G243-E246 VanDerWaalsContact CA-OE2 3.26Å; G243-E246 WeakPolarHBondContact CA-OE2 3.44Å; G243-E246 PolarHBondContact O-N 3.16Å; G243-W247 WeakPolarHBondContact O-CB 3.47Å; G243-W247 PolarHBondContact O-N 2.98Å
244	R	98.8	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-28	-169.7	-53.9	-48.1	-63.8	161.2	-5.5	112.2	N92 R93 L94 L96 D174 A248 D309	N92-R244 WeakPolarHBondContact O-CG 3.42Å; R93-R244 VanDerWaalsContact CZ-CB 3.47Å; R93-R244 PolarHBondContact NH2-O 3.45Å; R93-R244 PolarHBondContact O-N 3.31Å; L94-R244 WeakPolarHBondContact O-CD 3.13Å; L94-R244 VanDerWaalsContact O-CG 3.31Å; L94-R244 WeakPolarHBondContact O-CG 3.48Å; L96-R244 VanDerWaalsContact CG-NH1 3.33Å; D174-R244 IonicContact OD2-CZ 3.88Å; D174-R244 IonicContact OD2-NE 2.72Å; D174-R244 PolarHBondContact OD2-NE 3.48Å; D174-R244 IonicContact OD2-NH2 2.7Å; D174-R244 PolarHBondContact OD2-NH2 3.1Å; R244-A248 WeakPolarHBondContact O-CB 3.21Å; R244-A248 PolarHBondContact O-N 2.9Å; R244-D309 IonicContact CZ-OD1 2.64Å; R244-D309 IonicContact NH1-OD1 3.88Å; R244-D309 PolarHBondContact NH1-OD1 3.35Å; R244-D309 IonicContact NH2-OD1 2.91Å; R244-D309 PolarHBondContact NH2-OD1 3.37Å
245	T	98.8	Very high	98.6	Very high	32 Å²	32	23.2 Å²	23.2	20%	0.196	12%	0.12	C	C	.	.	H	α-helix	trans	-77.2	-44.6	-179.8	-55.8	0	0	0	0	110.3	R93 L171 G243 W247 A248 Q249	R93-T245 PolarHBondContact NE-OG1 2.96Å; R93-T245 PolarHBondContact NH2-OG1 3.29Å; L171-T245 PolarHBondContact O-OG1 3.22Å; G243-T245 PolarHBondContact O-N 3.41Å; G243-T245 VanDerWaalsContact O-N 3.15Å; T245-W247 VanDerWaalsContact C-N 3.34Å; T245-A248 WeakPolarHBondContact O-CB 3.35Å; T245-A248 PolarHBondContact O-N 3.06Å; T245-Q249 WeakPolarHBondContact O-CG 3.42Å; T245-Q249 PolarHBondContact O-N 3.09Å
246	E	98.8	Very high	98.6	Very high	71 Å²	71	28.8 Å²	28.8	33%	0.332	14%	0.14	S	C	.	.	H	α-helix	trans	-62.3	-44.3	176.6	-65.5	68.6	-155.2	0	0	110.1	D242 G243 Q249 A250	D242-E246 HydrophobicContact CB-CB 4.32Å; G243-E246 VanDerWaalsContact C-OE2 3.25Å; G243-E246 VanDerWaalsContact CA-OE2 3.26Å; G243-E246 WeakPolarHBondContact CA-OE2 3.44Å; G243-E246 PolarHBondContact O-N 3.16Å; E246-Q249 PolarHBondContact O-N 3.23Å; E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 2.73Å
247	W	98.8	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-40.3	174.6	177.1	-145.4	0	0	0	112	P169 L239 T240 G243 T245 Q249 A250 R251 L254 W307 D309	P169-W247 HydrophobicContact CB-CB 4.35Å; P169-W247 VanDerWaalsContact CB-CD1 3.49Å; P169-W247 HydrophobicContact CB-CG 4.01Å; P169-W247 VanDerWaalsContact CG-CD1 3.43Å; P169-W247 HydrophobicContact CG-CD2 4.28Å; P169-W247 HydrophobicContact CG-CG 3.95Å; L239-W247 HydrophobicContact CB-CD2 4.42Å; L239-W247 HydrophobicContact CB-CE3 3.46Å; L239-W247 VanDerWaalsContact CB-CE3 3.46Å; L239-W247 HydrophobicContact CB-CH2 4.31Å; L239-W247 HydrophobicContact CB-CZ3 3.41Å; L239-W247 VanDerWaalsContact CB-CZ3 3.41Å; L239-W247 HydrophobicContact CD1-CZ3 3.93Å; L239-W247 HydrophobicContact CG-CZ3 4.29Å; T240-W247 HydrophobicContact CG2-CH2 4.42Å; T240-W247 HydrophobicContact CG2-CZ2 3.82Å; G243-W247 WeakPolarHBondContact O-CB 3.47Å; G243-W247 PolarHBondContact O-N 2.98Å; T245-W247 VanDerWaalsContact C-N 3.34Å; W247-Q249 VanDerWaalsContact C-N 3.34Å; W247-Q249 PolarHBondContact O-N 2.77Å; W247-A250 HydrophobicContact CE3-CB 3.9Å; W247-A250 HydrophobicContact CZ3-CB 4.17Å; W247-A250 PolarHBondContact O-N 2.85Å; W247-R251 HydrophobicContact CD2-CB 4.37Å; W247-R251 HydrophobicContact CE3-CB 4.15Å; W247-R251 HydrophobicContact CH2-CB 3.86Å; W247-R251 HydrophobicContact CH2-CG 4.06Å; W247-R251 HydrophobicContact CZ2-CB 4.1Å; W247-R251 HydrophobicContact CZ2-CG 4.15Å; W247-R251 HydrophobicContact CZ3-CB 3.88Å; W247-R251 VanDerWaalsContact O-CB 3.3Å; W247-R251 WeakPolarHBondContact O-CB 3.39Å; W247-R251 PolarHBondContact O-N 3.13Å; W247-L254 HydrophobicContact CH2-CD1 3.8Å; W247-L254 HydrophobicContact CZ3-CD1 3.83Å; W247-W307 HydrophobicContact CH2-CH2 4.13Å; W247-W307 HydrophobicContact CH2-CZ2 4.32Å; W247-W307 HydrophobicContact CZ2-CH2 4.18Å; W247-W307 AromaticContact CZ2-CZ2 3.93Å; W247-W307 HydrophobicContact CZ2-CZ2 3.93Å; W247-D309 PolarHBondContact NE1-OD1 3.1Å; W247-D309 PolarHBondContact NE1-OD2 2.9Å
248	A	98.9	Very high	98.6	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-45.8	174.9	0	0	0	0	0	111.8	P169 L171 R244 T245 R251 E252	P169-A248 HydrophobicContact CB-CB 3.98Å; P169-A248 HydrophobicContact CG-CB 4.5Å; L171-A248 HydrophobicContact CD2-CB 4.06Å; R244-A248 WeakPolarHBondContact O-CB 3.21Å; R244-A248 PolarHBondContact O-N 2.9Å; T245-A248 WeakPolarHBondContact O-CB 3.35Å; T245-A248 PolarHBondContact O-N 3.06Å; A248-R251 PolarHBondContact O-N 2.84Å; A248-E252 WeakPolarHBondContact O-CG 3.17Å; A248-E252 PolarHBondContact O-N 2.8Å
249	Q	98.7	Very high	98.5	Very high	101 Å²	101	37.3 Å²	37.3	47%	0.472	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-43.8	177.3	-69.1	170.5	-11.2	0	0	112.2	L171 T245 E246 W247 E252 A253	L171-Q249 HydrophobicContact CD2-CG 3.69Å; T245-Q249 WeakPolarHBondContact O-CG 3.42Å; T245-Q249 PolarHBondContact O-N 3.09Å; E246-Q249 PolarHBondContact O-N 3.23Å; W247-Q249 VanDerWaalsContact C-N 3.34Å; W247-Q249 PolarHBondContact O-N 2.77Å; Q249-E252 WeakPolarHBondContact O-CB 3.36Å; Q249-E252 PolarHBondContact O-N 2.91Å; Q249-A253 PolarHBondContact O-N 2.83Å; Q249-A253 VanDerWaalsContact O-N 3.13Å
250	A	98.8	Very high	98.5	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-41.3	176.7	0	0	0	0	0	111.5	L239 E246 W247 E252 A253 L254 L380	L239-A250 HydrophobicContact CD2-CB 4.21Å; E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 2.73Å; W247-A250 HydrophobicContact CE3-CB 3.9Å; W247-A250 HydrophobicContact CZ3-CB 4.17Å; W247-A250 PolarHBondContact O-N 2.85Å; A250-E252 VanDerWaalsContact C-N 3.34Å; A250-E252 PolarHBondContact O-N 3.41Å; A250-A253 WeakPolarHBondContact O-CB 3.09Å; A250-A253 PolarHBondContact O-N 3.19Å; A250-A253 VanDerWaalsContact O-N 3.11Å; A250-L254 WeakPolarHBondContact O-CG 3.49Å; A250-L254 PolarHBondContact O-N 3.07Å; A250-L380 HydrophobicContact CB-CB 4.4Å; A250-L380 HydrophobicContact CB-CD1 3.88Å; A250-L380 HydrophobicContact CB-CD2 4.45Å; A250-L380 HydrophobicContact CB-CG 4.49Å
251	R	98.6	Very high	98.5	Very high	42 Å²	42	41.9 Å²	41.9	16%	0.158	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-41.5	174.9	-167.8	178	177.8	-74.8	-3.3	111.5	P169 W247 A248 A253 L254 I255 L264 E268	P169-R251 HydrophobicContact CG-CB 4.34Å; W247-R251 HydrophobicContact CD2-CB 4.37Å; W247-R251 HydrophobicContact CE3-CB 4.15Å; W247-R251 HydrophobicContact CH2-CB 3.86Å; W247-R251 HydrophobicContact CH2-CG 4.06Å; W247-R251 HydrophobicContact CZ2-CB 4.1Å; W247-R251 HydrophobicContact CZ2-CG 4.15Å; W247-R251 HydrophobicContact CZ3-CB 3.88Å; W247-R251 VanDerWaalsContact O-CB 3.3Å; W247-R251 WeakPolarHBondContact O-CB 3.39Å; W247-R251 PolarHBondContact O-N 3.13Å; A248-R251 PolarHBondContact O-N 2.84Å; R251-A253 VanDerWaalsContact C-N 3.26Å; R251-A253 PolarHBondContact O-N 2.82Å; R251-L254 PolarHBondContact O-N 2.81Å; R251-L254 VanDerWaalsContact O-N 3.14Å; R251-I255 HydrophobicContact CG-CG2 4.32Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 WeakPolarHBondContact O-CG2 3.23Å; R251-I255 PolarHBondContact O-N 2.85Å; R251-L264 HydrophobicContact CG-CD1 4.45Å; R251-E268 IonicContact CZ-OE1 2.81Å; R251-E268 IonicContact NE-OE1 3.35Å; R251-E268 IonicContact NH2-OE1 3.34Å; R251-E268 PolarHBondContact NH2-OE1 3.47Å; R251-E268 IonicContact NH2-OE2 2.99Å
252	E	98.4	Very high	98.5	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-35.3	173.4	-76.8	177.2	-175.9	0	0	112.8	A248 Q249 A250 I255	A248-E252 WeakPolarHBondContact O-CG 3.17Å; A248-E252 PolarHBondContact O-N 2.8Å; Q249-E252 WeakPolarHBondContact O-CB 3.36Å; Q249-E252 PolarHBondContact O-N 2.91Å; A250-E252 VanDerWaalsContact C-N 3.34Å; A250-E252 PolarHBondContact O-N 3.41Å; E252-I255 WeakPolarHBondContact O-CG1 3.34Å
253	A	98.3	Very high	98.5	Very high	13 Å²	13	45.8 Å²	45.8	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-70.6	-42.1	173	0	0	0	0	0	112.1	Q249 A250 R251 K256 V377 L380	Q249-A253 PolarHBondContact O-N 2.83Å; Q249-A253 VanDerWaalsContact O-N 3.13Å; A250-A253 WeakPolarHBondContact O-CB 3.09Å; A250-A253 PolarHBondContact O-N 3.19Å; A250-A253 VanDerWaalsContact O-N 3.11Å; R251-A253 VanDerWaalsContact C-N 3.26Å; R251-A253 PolarHBondContact O-N 2.82Å; A253-K256 PolarHBondContact O-N 2.97Å; A253-V377 HydrophobicContact CB-CG2 4.45Å; A253-L380 HydrophobicContact CB-CD1 4.24Å
254	L	98.4	Very high	98.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-46.8	179.6	-67.7	-177	0	0	0	112.3	F236 L239 W247 A250 R251 K256 D257 N260 L264 W371 V377	F236-L254 HydrophobicContact CD1-CD1 4.35Å; F236-L254 HydrophobicContact CD1-CD2 3.88Å; F236-L254 HydrophobicContact CE1-CD2 3.53Å; L239-L254 HydrophobicContact CD1-CD1 3.8Å; L239-L254 HydrophobicContact CD1-CD2 4.35Å; L239-L254 HydrophobicContact CD1-CG 4.35Å; W247-L254 HydrophobicContact CH2-CD1 3.8Å; W247-L254 HydrophobicContact CZ3-CD1 3.83Å; A250-L254 WeakPolarHBondContact O-CG 3.49Å; A250-L254 PolarHBondContact O-N 3.07Å; R251-L254 PolarHBondContact O-N 2.81Å; R251-L254 VanDerWaalsContact O-N 3.14Å; L254-K256 PolarHBondContact O-N 3.24Å; L254-D257 PolarHBondContact O-N 2.88Å; L254-N260 HydrophobicContact CB-CB 4.35Å; L254-N260 WeakPolarHBondContact O-CB 3.42Å; L254-N260 PolarHBondContact O-ND2 3.24Å; L254-L264 HydrophobicContact CB-CD1 4.25Å; L254-W371 HydrophobicContact CD1-CZ3 4.3Å; L254-V377 HydrophobicContact CD2-CG1 3.7Å; L254-V377 HydrophobicContact CD2-CG2 4.04Å
255	I	98	Very high	98.4	Very high	56 Å²	56	47.7 Å²	47.7	29%	0.287	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.3	-174.5	65.1	174.8	0	0	0	113.7	R251 E252 D257 R261 L264	R251-I255 HydrophobicContact CG-CG2 4.32Å; R251-I255 WeakPolarHBondContact O-CG1 3.45Å; R251-I255 WeakPolarHBondContact O-CG2 3.23Å; R251-I255 PolarHBondContact O-N 2.85Å; E252-I255 WeakPolarHBondContact O-CG1 3.34Å; I255-D257 VanDerWaalsContact C-N 3.34Å; I255-R261 HydrophobicContact CB-CG 3.97Å; I255-R261 HydrophobicContact CG2-CG 4.39Å; I255-R261 WeakPolarHBondContact O-CD 3.46Å; I255-R261 VanDerWaalsContact O-CG 3.26Å; I255-R261 WeakPolarHBondContact O-CG 3.46Å; I255-R261 PolarHBondContact O-NH1 2.97Å; I255-L264 HydrophobicContact CG2-CD1 3.67Å
256	K	97.9	Very high	98.3	Very high	166 Å²	166	48 Å²	48	72%	0.722	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.6	172.7	-67.7	176.1	-176.5	175.9	0	112	A253 L254 R261	A253-K256 PolarHBondContact O-N 2.97Å; L254-K256 PolarHBondContact O-N 3.24Å; K256-R261 PolarHBondContact O-NH1 3.32Å
257	D	98.4	Very high	98.3	Very high	58 Å²	58	44.6 Å²	44.6	31%	0.31	22%	0.223	S	C	.	.	S	Bend	trans	-92.2	139.9	176.8	-172.5	-85.5	0	0	0	111.8	L254 I255 A259 N260 R261 K372	L254-D257 PolarHBondContact O-N 2.88Å; I255-D257 VanDerWaalsContact C-N 3.34Å; D257-A259 WeakPolarHBondContact OD1-CB 3.49Å; D257-A259 PolarHBondContact OD1-N 2.97Å; D257-N260 HydrophobicContact CB-CB 4.24Å; D257-N260 PolarHBondContact OD1-N 2.97Å; D257-R261 WeakPolarHBondContact O-CG 3.44Å; D257-R261 PolarHBondContact O-N 3.47Å; D257-R261 VanDerWaalsContact O-N 3.15Å; D257-K372 HydrophobicContact CB-CB 4.24Å; D257-K372 VanDerWaalsContact CG-CG 3.49Å; D257-K372 VanDerWaalsContact OD1-CG 3.28Å; D257-K372 WeakPolarHBondContact OD1-CG 3.29Å; D257-K372 WeakPolarHBondContact OD2-CG 3.38Å
258	Q	98	Very high	98.2	Very high	99 Å²	99	46.2 Å²	46.2	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-41.5	-178.1	-175.2	62.5	50	0	0	112.8	N260 R261 D262	Q258-N260 VanDerWaalsContact C-N 3.29Å; Q258-N260 PolarHBondContact O-N 2.84Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 2.86Å; Q258-R261 VanDerWaalsContact O-N 3.17Å; Q258-D262 PolarHBondContact NE2-OD1 2.83Å; Q258-D262 VanDerWaalsContact O-CG 3.25Å; Q258-D262 PolarHBondContact O-N 3.41Å
259	A	97.8	Very high	98.1	Very high	25 Å²	25	49.9 Å²	49.9	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-178	0	0	0	0	0	111.3	D257 D262 S263 K372	D257-A259 WeakPolarHBondContact OD1-CB 3.49Å; D257-A259 PolarHBondContact OD1-N 2.97Å; A259-D262 PolarHBondContact O-N 2.76Å; A259-S263 PolarHBondContact O-N 2.88Å; A259-S263 PolarHBondContact O-OG 2.86Å; A259-K372 HydrophobicContact CB-CG 4.28Å
260	N	98.6	Very high	98	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-43.1	173.5	-69.4	-13.9	0	0	0	111.9	L254 D257 Q258 D262 S263 L264 W371 K372	L254-N260 HydrophobicContact CB-CB 4.35Å; L254-N260 WeakPolarHBondContact O-CB 3.42Å; L254-N260 PolarHBondContact O-ND2 3.24Å; D257-N260 HydrophobicContact CB-CB 4.24Å; D257-N260 PolarHBondContact OD1-N 2.97Å; Q258-N260 VanDerWaalsContact C-N 3.29Å; Q258-N260 PolarHBondContact O-N 2.84Å; N260-D262 VanDerWaalsContact C-N 3.32Å; N260-D262 PolarHBondContact O-N 3.24Å; N260-S263 PolarHBondContact O-N 3.42Å; N260-L264 WeakPolarHBondContact O-CB 3.36Å; N260-L264 VanDerWaalsContact O-CG 3.26Å; N260-L264 WeakPolarHBondContact O-CG 3.4Å; N260-L264 PolarHBondContact O-N 2.95Å; N260-W371 HydrophobicContact CB-CE3 4.25Å; N260-W371 HydrophobicContact CB-CZ3 4.41Å; N260-W371 VanDerWaalsContact OD1-CA 3.27Å; N260-W371 WeakPolarHBondContact OD1-CA 3.47Å; N260-K372 PolarHBondContact ND2-O 3.27Å; N260-K372 VanDerWaalsContact ND2-O 3.09Å; N260-K372 PolarHBondContact OD1-N 3.13Å
261	R	98.4	Very high	97.9	Very high	94 Å²	94	45.3 Å²	45.3	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-44.5	175.6	-74	-171.4	-66.6	-93.7	5.4	111.6	I255 K256 D257 Q258 L264 A265	I255-R261 HydrophobicContact CB-CG 3.97Å; I255-R261 HydrophobicContact CG2-CG 4.39Å; I255-R261 WeakPolarHBondContact O-CD 3.46Å; I255-R261 VanDerWaalsContact O-CG 3.26Å; I255-R261 WeakPolarHBondContact O-CG 3.46Å; I255-R261 PolarHBondContact O-NH1 2.97Å; K256-R261 PolarHBondContact O-NH1 3.32Å; D257-R261 WeakPolarHBondContact O-CG 3.44Å; D257-R261 PolarHBondContact O-N 3.47Å; D257-R261 VanDerWaalsContact O-N 3.15Å; Q258-R261 WeakPolarHBondContact O-CB 3.38Å; Q258-R261 PolarHBondContact O-N 2.86Å; Q258-R261 VanDerWaalsContact O-N 3.17Å; R261-L264 PolarHBondContact O-N 3.43Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 3.11Å
262	D	98.3	Very high	97.9	Very high	82 Å²	82	43.4 Å²	43.4	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-44.5	-179.7	-63.8	-21.2	0	0	0	111.2	Q258 A259 N260 A265 L266	Q258-D262 PolarHBondContact NE2-OD1 2.83Å; Q258-D262 VanDerWaalsContact O-CG 3.25Å; Q258-D262 PolarHBondContact O-N 3.41Å; A259-D262 PolarHBondContact O-N 2.76Å; N260-D262 VanDerWaalsContact C-N 3.32Å; N260-D262 PolarHBondContact O-N 3.24Å; D262-A265 PolarHBondContact O-N 2.93Å; D262-L266 WeakPolarHBondContact O-CG 3.35Å; D262-L266 PolarHBondContact O-N 2.9Å; D262-L266 VanDerWaalsContact O-N 3.15Å
263	S	98.6	Very high	98	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-42.6	175.6	-72.1	0	0	0	0	112.6	A259 N260 L266 I267 L369 L370	A259-S263 PolarHBondContact O-N 2.88Å; A259-S263 PolarHBondContact O-OG 2.86Å; N260-S263 PolarHBondContact O-N 3.42Å; S263-L266 PolarHBondContact O-N 2.64Å; S263-I267 WeakPolarHBondContact O-CG1 3.4Å; S263-I267 PolarHBondContact O-N 2.91Å; S263-I267 VanDerWaalsContact O-N 3.15Å; S263-L369 WeakPolarHBondContact O-CD2 3.45Å; S263-L370 WeakPolarHBondContact CB-O 3.28Å; S263-L370 PolarHBondContact OG-N 2.84Å; S263-L370 PolarHBondContact OG-O 3.45Å
264	L	98.6	Very high	98	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-45.8	174.9	-75.6	168.1	0	0	0	111.5	R251 L254 I255 N260 R261 L266 I267 E268 W307 W371	R251-L264 HydrophobicContact CG-CD1 4.45Å; L254-L264 HydrophobicContact CB-CD1 4.25Å; I255-L264 HydrophobicContact CG2-CD1 3.67Å; N260-L264 WeakPolarHBondContact O-CB 3.36Å; N260-L264 VanDerWaalsContact O-CG 3.26Å; N260-L264 WeakPolarHBondContact O-CG 3.4Å; N260-L264 PolarHBondContact O-N 2.95Å; R261-L264 PolarHBondContact O-N 3.43Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 PolarHBondContact O-N 3.14Å; L264-I267 PolarHBondContact O-N 3.07Å; L264-E268 WeakPolarHBondContact O-CB 3.48Å; L264-E268 VanDerWaalsContact O-CG 3.23Å; L264-E268 WeakPolarHBondContact O-CG 3.45Å; L264-E268 PolarHBondContact O-N 3.1Å; L264-W307 HydrophobicContact CD2-CH2 3.49Å; L264-W307 VanDerWaalsContact CD2-CH2 3.49Å; L264-W307 HydrophobicContact CD2-CZ2 3.44Å; L264-W307 VanDerWaalsContact CD2-CZ2 3.44Å; L264-W371 HydrophobicContact CD2-CH2 3.95Å; L264-W371 HydrophobicContact CD2-CZ3 4.25Å; L264-W371 HydrophobicContact CG-CH2 3.98Å; L264-W371 HydrophobicContact CG-CZ3 3.99Å
265	A	97.4	Very high	98	Very high	46 Å²	46	38 Å²	38	38%	0.38	20%	0.2	S	C	.	.	H	α-helix	trans	-58.9	-39.6	179	0	0	0	0	0	112.1	R261 D262 E268 S269	R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 3.11Å; D262-A265 PolarHBondContact O-N 2.93Å; A265-E268 PolarHBondContact O-N 3.07Å; A265-S269 PolarHBondContact O-N 2.83Å; A265-S269 PolarHBondContact O-OG 2.79Å
266	L	97.7	Very high	98	Very high	39 Å²	39	35.8 Å²	35.8	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-36	175.4	-65.9	173.2	0	0	0	112.5	H189 L200 D262 S263 L264 C270 L369	H189-L266 PolarHBondContact NE2-O 2.85Å; L200-L266 HydrophobicContact CD1-CB 4.4Å; L200-L266 HydrophobicContact CD1-CD1 3.79Å; L200-L266 HydrophobicContact CD1-CD2 3.57Å; L200-L266 HydrophobicContact CD1-CG 4.1Å; D262-L266 WeakPolarHBondContact O-CG 3.35Å; D262-L266 PolarHBondContact O-N 2.9Å; D262-L266 VanDerWaalsContact O-N 3.15Å; S263-L266 PolarHBondContact O-N 2.64Å; L264-L266 VanDerWaalsContact C-N 3.27Å; L264-L266 PolarHBondContact O-N 3.14Å; L266-C270 PolarHBondContact O-N 2.8Å; L266-L369 HydrophobicContact CB-CD2 4.49Å; L266-L369 HydrophobicContact CD1-CD1 4.5Å; L266-L369 HydrophobicContact CD1-CG 4.45Å
267	I	98.4	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.7	-39.1	175.2	-62.7	169.5	0	0	0	110.9	Y166 I191 S263 L264 S269 C270 W307 L369 W371	Y166-I267 HydrophobicContact CE2-CG2 4.42Å; I191-I267 HydrophobicContact CD1-CG1 4.37Å; I191-I267 HydrophobicContact CG1-CG1 4.15Å; I191-I267 HydrophobicContact CG2-CG1 4.49Å; S263-I267 WeakPolarHBondContact O-CG1 3.4Å; S263-I267 PolarHBondContact O-N 2.91Å; S263-I267 VanDerWaalsContact O-N 3.15Å; L264-I267 PolarHBondContact O-N 3.07Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.95Å; I267-C270 PolarHBondContact O-N 3.38Å; I267-C270 PolarHBondContact O-SG 2.93Å; I267-W307 HydrophobicContact CD1-CD2 3.98Å; I267-W307 HydrophobicContact CD1-CE3 3.8Å; I267-W307 HydrophobicContact CD1-CH2 4.02Å; I267-W307 HydrophobicContact CD1-CZ2 4.18Å; I267-W307 HydrophobicContact CD1-CZ3 3.82Å; I267-W307 HydrophobicContact CG2-CB 4.44Å; I267-W307 HydrophobicContact CG2-CD2 3.74Å; I267-W307 HydrophobicContact CG2-CG 3.6Å; I267-W307 HydrophobicContact CG2-CZ2 4.39Å; I267-L369 HydrophobicContact CD1-CD2 3.8Å; I267-L369 HydrophobicContact CG1-CD2 3.58Å; I267-W371 HydrophobicContact CD1-CH2 4.17Å; I267-W371 HydrophobicContact CD1-CZ2 3.84Å
268	E	97.2	Very high	97.9	Very high	34 Å²	34	29.5 Å²	29.5	16%	0.159	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-42.2	179.6	-73.2	161.4	-166.6	0	0	111.8	Y166 Y168 R251 L264 A265 K310	Y166-E268 HydrophobicContact CD1-CG 4.14Å; Y166-E268 HydrophobicContact CD2-CB 4.2Å; Y166-E268 HydrophobicContact CD2-CG 3.95Å; Y166-E268 HydrophobicContact CE1-CG 3.98Å; Y166-E268 HydrophobicContact CE2-CB 4.38Å; Y166-E268 HydrophobicContact CE2-CG 3.73Å; Y166-E268 HydrophobicContact CG-CB 4.42Å; Y166-E268 HydrophobicContact CG-CG 4.14Å; Y168-E268 HydrophobicContact CE1-CG 4.12Å; Y168-E268 PolarHBondContact OH-OE2 3.28Å; R251-E268 IonicContact CZ-OE1 2.81Å; R251-E268 IonicContact NE-OE1 3.35Å; R251-E268 IonicContact NH2-OE1 3.34Å; R251-E268 PolarHBondContact NH2-OE1 3.47Å; R251-E268 IonicContact NH2-OE2 2.99Å; L264-E268 WeakPolarHBondContact O-CB 3.48Å; L264-E268 VanDerWaalsContact O-CG 3.23Å; L264-E268 WeakPolarHBondContact O-CG 3.45Å; L264-E268 PolarHBondContact O-N 3.1Å; A265-E268 PolarHBondContact O-N 3.07Å; E268-K310 PolarHBondContact O-NZ 3.43Å
269	S	95.4	Very high	97.7	Very high	81 Å²	81	28.9 Å²	28.9	57%	0.566	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.2	-175.7	78.6	0	0	0	0	115.1	H189 A265 I267	H189-S269 PolarHBondContact CE1-OG 3.37Å; H189-S269 VanDerWaalsContact CE1-OG 3.25Å; A265-S269 PolarHBondContact O-N 2.83Å; A265-S269 PolarHBondContact O-OG 2.79Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.95Å
270	C	97	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	16%	0.16	C	C	.	.	S	Bend	trans	-69.1	161	-179.2	78.3	0	0	0	0	112.3	I191 L266 I267 C272 K310	I191-C270 HydrophobicContact CB-CB 4.49Å; I191-C270 HydrophobicContact CG1-CB 3.66Å; L266-C270 PolarHBondContact O-N 2.8Å; I267-C270 PolarHBondContact O-N 3.38Å; I267-C270 PolarHBondContact O-SG 2.93Å; C270-C272 PolarHBondContact SG-O 2.82Å; C270-K310 WeakPolarHBondContact O-CE 3.45Å; C270-K310 PolarHBondContact O-NZ 2.86Å
271	I	97.4	Very high	96.5	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.036	20%	0.199	C	C	.	.	S	Bend	trans	-67.7	-50.9	174.5	-67.1	171.3	0	0	0	110.5	V128 L129 K132 F163 E188 H189 V190 V203	V128-I271 HydrophobicContact CG1-CG2 3.83Å; L129-I271 HydrophobicContact CD2-CD1 3.59Å; K132-I271 HydrophobicContact CD-CD1 3.93Å; K132-I271 HydrophobicContact CD-CG1 4.03Å; K132-I271 HydrophobicContact CD-CG2 4.1Å; F163-I271 HydrophobicContact CB-CG2 4Å; F163-I271 HydrophobicContact CD1-CG2 3.91Å; F163-I271 HydrophobicContact CG-CG2 3.99Å; E188-I271 HydrophobicContact CB-CD1 4.11Å; E188-I271 WeakPolarHBondContact OE2-CD1 3.4Å; H189-I271 PolarHBondContact O-N 3.12Å; V190-I271 HydrophobicContact CG1-CB 4.23Å; V203-I271 HydrophobicContact CG2-CD1 4.13Å
272	C	98.5	Very high	96.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	20%	0.197	C	C	.	.			trans	-158.8	169.9	180	63.5	0	0	0	0	109.8	I191 C270 M312 F314	I191-C272 PolarHBondContact N-O 3.43Å; I191-C272 VanDerWaalsContact N-O 3.15Å; C270-C272 PolarHBondContact SG-O 2.82Å; C272-M312 WeakPolarHBondContact CA-O 3.44Å; C272-M312 HydrophobicContact CB-CB 4.13Å; C272-M312 WeakPolarHBondContact CB-O 3.15Å; C272-F314 HydrophobicContact CB-CD2 4.13Å; C272-F314 HydrophobicContact CB-CE2 4.05Å
273	V	98.9	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.7	166.8	-171.9	0	0	0	0	109.2	I191 A193 W307 K310 M312 Q313 F314	I191-V273 HydrophobicContact CB-CG2 4.49Å; I191-V273 HydrophobicContact CG2-CG1 4.47Å; I191-V273 CarbonylContact O-C 3.54Å; I191-V273 VanDerWaalsContact O-CA 3.25Å; I191-V273 WeakPolarHBondContact O-CA 3.36Å; A193-V273 HydrophobicContact CB-CG1 4.18Å; V273-W307 HydrophobicContact CG2-CB 4.2Å; V273-K310 HydrophobicContact CG2-CB 3.97Å; V273-K310 HydrophobicContact CG2-CG 4.03Å; V273-M312 PolarHBondContact N-O 3.4Å; V273-Q313 HydrophobicContact CB-CB 4.27Å; V273-Q313 HydrophobicContact CB-CG 3.96Å; V273-Q313 HydrophobicContact CG2-CG 4.17Å; V273-Q313 CarbonylContact O-C 3.5Å; V273-Q313 VanDerWaalsContact O-CA 3.32Å; V273-Q313 WeakPolarHBondContact O-CA 3.46Å; V273-F314 PolarHBondContact O-N 3.44Å
274	V	98.9	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.1	170.1	-179.5	0	0	0	0	108.6	I125 I191 V192 A193 L276 F314	I125-V274 HydrophobicContact CD1-CG2 4.13Å; I125-V274 HydrophobicContact CG1-CG2 3.83Å; I191-V274 PolarHBondContact O-N 2.93Å; V192-V274 CarbonylContact C-O 3.6Å; V192-V274 VanDerWaalsContact CA-O 3.31Å; V192-V274 WeakPolarHBondContact CA-O 3.4Å; A193-V274 PolarHBondContact N-O 2.85Å; V274-L276 HydrophobicContact CG1-CD2 4.33Å; V274-F314 CarbonylContact C-O 3.53Å; V274-F314 WeakPolarHBondContact CA-O 3.37Å
275	C	98.9	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.4	-177.5	-47.8	0	0	0	0	109.7	A193 D277 N305 F314 V315 V316	A193-C275 WeakPolarHBondContact O-CA 3.19Å; C275-D277 PolarHBondContact O-N 3.32Å; C275-N305 WeakPolarHBondContact CB-O 3.3Å; C275-N305 PolarHBondContact SG-O 3.37Å; C275-F314 PolarHBondContact N-O 2.83Å; C275-V315 HydrophobicContact CB-CG2 4.18Å; C275-V316 PolarHBondContact O-N 2.92Å
276	L	98.7	Very high	95.5	Very high	8 Å²	8	36 Å²	36	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	100	172.1	-57.4	-178.9	0	0	0	108.2	L118 A121 V192 A193 C194 L219 V274 N305 V316	L118-L276 HydrophobicContact CD2-CD1 3.73Å; L118-L276 HydrophobicContact CD2-CD2 4.18Å; A121-L276 HydrophobicContact CB-CD2 3.94Å; V192-L276 HydrophobicContact CG1-CD1 3.81Å; V192-L276 HydrophobicContact CG1-CG 3.97Å; A193-L276 PolarHBondContact O-N 3.07Å; C194-L276 HydrophobicContact CB-CB 4.19Å; C194-L276 HydrophobicContact CB-CD1 4.34Å; L219-L276 HydrophobicContact CD2-CD1 4.39Å; V274-L276 HydrophobicContact CG1-CD2 4.33Å; L276-N305 PolarHBondContact O-ND2 3.28Å; L276-N305 VanDerWaalsContact O-ND2 3.08Å; L276-V316 HydrophobicContact CD2-CB 4.34Å
277	D	98.2	Very high	95.5	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.8	-171	-87	15.6	0	0	0	112.4	C275 N302 N305 R306 V315 V316 T318	C275-D277 PolarHBondContact O-N 3.32Å; D277-N302 HydrophobicContact CB-CB 4.4Å; D277-N302 VanDerWaalsContact OD2-CB 3.3Å; D277-N302 WeakPolarHBondContact OD2-CB 3.46Å; D277-N305 PolarHBondContact OD1-ND2 2.96Å; D277-R306 VanDerWaalsContact CG-NH1 3.33Å; D277-R306 IonicContact OD1-CZ 2.87Å; D277-R306 IonicContact OD1-NH1 2.91Å; D277-R306 PolarHBondContact OD1-NH1 3.45Å; D277-R306 IonicContact OD1-NH2 3.99Å; D277-R306 IonicContact OD2-CZ 2.68Å; D277-R306 IonicContact OD2-NH1 3.86Å; D277-R306 PolarHBondContact OD2-NH1 2.9Å; D277-R306 VanDerWaalsContact OD2-NH1 3.11Å; D277-R306 IonicContact OD2-NH2 3.93Å; D277-R306 PolarHBondContact OD2-NH2 2.98Å; D277-V315 HydrophobicContact CB-CG1 4.22Å; D277-V315 VanDerWaalsContact OD2-CG1 3.32Å; D277-V315 WeakPolarHBondContact OD2-CG1 3.47Å; D277-V316 PolarHBondContact N-O 2.84Å; D277-V316 VanDerWaalsContact N-O 3.08Å; D277-T318 PolarHBondContact O-N 3.4Å; D277-T318 VanDerWaalsContact O-N 3.14Å; D277-T318 PolarHBondContact O-OG1 3.03Å; D277-T318 VanDerWaalsContact O-OG1 3.12Å
278	E	95.3	Very high	95.5	Very high	86 Å²	86	37.5 Å²	37.5	40%	0.402	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-79.1	151.2	172.9	-66.7	-172.6	112	0	0	110.6	K195 C280 N302	K195-E278 WeakPolarHBondContact CE-OE1 3.28Å; K195-E278 HydrophobicContact CG-CG 4.33Å; K195-E278 IonicContact NZ-OE1 3.79Å; E278-C280 PolarHBondContact O-N 3.34Å; E278-N302 PolarHBondContact N-OD1 2.87Å; E278-N302 VanDerWaalsContact N-OD1 3.09Å; E278-N302 PolarHBondContact O-ND2 3.31Å
279	P	92.9	Very high	95.5	Very high	85 Å²	85	36.4 Å²	36.4	55%	0.552	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-61.8	132.3	177.8	-19.8	33.4	0	0	0	111.1	T318 D319	P279-T318 WeakPolarHBondContact CD-OG1 3.26Å; P279-T318 VanDerWaalsContact CG-OG1 3.27Å; P279-T318 WeakPolarHBondContact CG-OG1 3.34Å; P279-D319 HydrophobicContact CB-CB 4.22Å
280	C	86.3	Confident	95.7	Very high	18 Å²	18	32.5 Å²	32.5	12%	0.122	21%	0.207	C	C	.	.			trans	-88.7	-0.3	-176.4	-73.4	0	0	0	0	114.6	E278 I282 M292 N302	E278-C280 PolarHBondContact O-N 3.34Å; C280-I282 PolarHBondContact O-N 3.47Å; C280-I282 VanDerWaalsContact O-N 3.16Å; C280-M292 HydrophobicContact CB-SD 3.96Å; C280-M292 PolarHBondContact SG-SD 3.2Å; C280-N302 PolarHBondContact SG-ND2 2.89Å
281	G	86.6	Confident	95.8	Very high	81 Å²	81	33.9 Å²	33.9	84%	0.835	21%	0.214	S	C	*	.	S	Bend	trans	66.8	10.7	-178.4	0	0	0	0	0	115.1
282	I	89	Confident	95.8	Very high	58 Å²	58	34.4 Å²	34.4	30%	0.297	22%	0.217	S	C	.	.	S	Bend	trans	-106.5	139.5	178.3	-61.3	-168.5	0	0	0	109.5	C280 N288	C280-I282 PolarHBondContact O-N 3.47Å; C280-I282 VanDerWaalsContact O-N 3.16Å; I282-N288 HydrophobicContact CG2-CB 4.02Å; I282-N288 VanDerWaalsContact CG2-CG 3.49Å; I282-N288 WeakPolarHBondContact CG2-ND2 3.38Å
283	P	92.7	Very high	95.8	Very high	97 Å²	97	34.4 Å²	34.4	63%	0.63	22%	0.217	S	C	*	.			trans	-53.9	127.1	171.9	-26.2	35	0	0	0	111.6	S285 N288	P283-S285 PolarHBondContact O-N 3.45Å; P283-N288 WeakPolarHBondContact O-CB 3.47Å; P283-N288 PolarHBondContact O-ND2 3.25Å
284	P	93.3	Very high	95.8	Very high	40 Å²	40	34.4 Å²	34.4	26%	0.26	22%	0.217	S	C	.	.			trans	-81.2	65.1	-175.1	34	-37.4	0	0	0	111	K108 R289 V321	K108-P284 HydrophobicContact CD-CB 4.38Å; K108-P284 HydrophobicContact CD-CG 3.98Å; K108-P284 VanDerWaalsContact NZ-CG 3.29Å; P284-R289 HydrophobicContact CB-CG 3.94Å; P284-R289 VanDerWaalsContact O-CD 3.26Å; P284-R289 WeakPolarHBondContact O-CD 3.34Å; P284-V321 HydrophobicContact CB-CG2 3.9Å
285	S	96.4	Very high	95.7	Very high	53 Å²	53	34.6 Å²	34.6	37%	0.371	22%	0.218	S	C	.	.			trans	-66.4	161.5	162.7	65.8	0	0	0	0	110.1	P283 T287 N288 R289	P283-S285 PolarHBondContact O-N 3.45Å; S285-T287 VanDerWaalsContact C-N 3.28Å; S285-T287 PolarHBondContact O-N 2.99Å; S285-N288 PolarHBondContact O-N 3.01Å; S285-N288 VanDerWaalsContact O-N 3.1Å; S285-N288 PolarHBondContact OG-N 3.37Å; S285-N288 PolarHBondContact OG-ND2 3.01Å; S285-N288 VanDerWaalsContact OG-ND2 3.14Å; S285-R289 WeakPolarHBondContact O-CB 3.47Å; S285-R289 WeakPolarHBondContact O-CD 3.43Å; S285-R289 WeakPolarHBondContact O-CG 3.45Å; S285-R289 PolarHBondContact O-N 3.14Å
286	D	97.4	Very high	95.7	Very high	61 Å²	61	34.6 Å²	34.6	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-39.5	179.6	-72.8	-25	0	0	0	112.7	R289 A290 V399 F553	D286-R289 PolarHBondContact O-N 3.5Å; D286-R289 IonicContact OD1-CZ 2.98Å; D286-R289 IonicContact OD1-NH1 3.59Å; D286-R289 PolarHBondContact OD1-NH1 3.41Å; D286-A290 WeakPolarHBondContact O-CB 3.41Å; D286-A290 PolarHBondContact O-N 3.18Å; D286-V399 HydrophobicContact CB-CB 4.1Å; D286-V399 HydrophobicContact CB-CG1 3.8Å; D286-F553 HydrophobicContact CB-CE1 3.81Å; D286-F553 HydrophobicContact CB-CZ 3.68Å
287	T	98.3	Very high	95.6	Very high	26 Å²	26	34.6 Å²	34.6	16%	0.16	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-51.6	171.5	-55.1	0	0	0	0	112.1	S285 R289 A290 L291 M397 V399	S285-T287 VanDerWaalsContact C-N 3.28Å; S285-T287 PolarHBondContact O-N 2.99Å; T287-R289 VanDerWaalsContact C-N 3.3Å; T287-R289 PolarHBondContact O-N 2.97Å; T287-A290 WeakPolarHBondContact O-CB 3.48Å; T287-A290 PolarHBondContact O-N 3.34Å; T287-L291 HydrophobicContact CG2-CD1 4.17Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.39Å; T287-M397 HydrophobicContact CG2-CB 4.43Å; T287-M397 WeakPolarHBondContact CG2-O 3.48Å; T287-V399 PolarHBondContact OG1-N 3.24Å; T287-V399 VanDerWaalsContact OG1-N 3.07Å
288	N	97.9	Very high	95.6	Very high	43 Å²	43	34.2 Å²	34.2	23%	0.23	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-36.3	-177.8	-71.3	-28.2	0	0	0	111.9	I282 P283 S285 L291 M292	I282-N288 HydrophobicContact CG2-CB 4.02Å; I282-N288 VanDerWaalsContact CG2-CG 3.49Å; I282-N288 WeakPolarHBondContact CG2-ND2 3.38Å; P283-N288 WeakPolarHBondContact O-CB 3.47Å; P283-N288 PolarHBondContact O-ND2 3.25Å; S285-N288 PolarHBondContact O-N 3.01Å; S285-N288 VanDerWaalsContact O-N 3.1Å; S285-N288 PolarHBondContact OG-N 3.37Å; S285-N288 PolarHBondContact OG-ND2 3.01Å; S285-N288 VanDerWaalsContact OG-ND2 3.14Å; N288-L291 PolarHBondContact O-N 3.45Å; N288-M292 VanDerWaalsContact O-CG 3.31Å; N288-M292 WeakPolarHBondContact O-CG 3.47Å; N288-M292 PolarHBondContact O-N 3.49Å
289	R	98.3	Very high	95.6	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.6	-66.2	167.6	68.9	-141.5	-4.9	111.4	V105 F106 P107 P284 S285 D286 T287 M292 L293 V321	V105-R289 HydrophobicContact CG1-CB 3.96Å; F106-R289 PolarHBondContact O-NH2 3.23Å; P107-R289 VanDerWaalsContact C-NH2 3.28Å; P284-R289 HydrophobicContact CB-CG 3.94Å; P284-R289 VanDerWaalsContact O-CD 3.26Å; P284-R289 WeakPolarHBondContact O-CD 3.34Å; S285-R289 WeakPolarHBondContact O-CB 3.47Å; S285-R289 WeakPolarHBondContact O-CD 3.43Å; S285-R289 WeakPolarHBondContact O-CG 3.45Å; S285-R289 PolarHBondContact O-N 3.14Å; D286-R289 PolarHBondContact O-N 3.5Å; D286-R289 IonicContact OD1-CZ 2.98Å; D286-R289 IonicContact OD1-NH1 3.59Å; D286-R289 PolarHBondContact OD1-NH1 3.41Å; T287-R289 VanDerWaalsContact C-N 3.3Å; T287-R289 PolarHBondContact O-N 2.97Å; R289-M292 PolarHBondContact O-N 3.32Å; R289-L293 PolarHBondContact O-N 3.12Å; R289-L293 VanDerWaalsContact O-N 3.11Å; R289-V321 HydrophobicContact CB-CG1 4.04Å; R289-V321 HydrophobicContact CG-CG1 4.07Å; R289-V321 HydrophobicContact CG-CG2 3.84Å
290	A	98.5	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-48.8	174.1	0	0	0	0	0	111.9	V105 D286 T287 M292 L293 L294 M397 V399 F553	V105-A290 HydrophobicContact CG2-CB 4.12Å; D286-A290 WeakPolarHBondContact O-CB 3.41Å; D286-A290 PolarHBondContact O-N 3.18Å; T287-A290 WeakPolarHBondContact O-CB 3.48Å; T287-A290 PolarHBondContact O-N 3.34Å; A290-M292 VanDerWaalsContact C-N 3.35Å; A290-M292 PolarHBondContact O-N 3.16Å; A290-L293 PolarHBondContact O-N 3.25Å; A290-L293 VanDerWaalsContact O-N 3.16Å; A290-L294 WeakPolarHBondContact O-CG 3.33Å; A290-L294 PolarHBondContact O-N 3.2Å; A290-M397 HydrophobicContact CB-CE 3.72Å; A290-M397 HydrophobicContact CB-SD 3.73Å; A290-V399 HydrophobicContact CB-CG2 4.1Å; A290-F553 HydrophobicContact CB-CE2 4.03Å; A290-F553 HydrophobicContact CB-CZ 4.48Å
291	L	98.4	Very high	96.1	Very high	29 Å²	29	43 Å²	43	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-44.9	176.9	-68.3	172.7	0	0	0	111.8	T287 N288 L293 L294 H295 L395 M397	T287-L291 HydrophobicContact CG2-CD1 4.17Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.39Å; N288-L291 PolarHBondContact O-N 3.45Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 PolarHBondContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-H295 WeakPolarHBondContact CD2-NE2 3.2Å; L291-H295 PolarHBondContact O-CE1 3.4Å; L291-H295 PolarHBondContact O-N 3.47Å; L291-H295 VanDerWaalsContact O-N 3.12Å; L291-H295 PolarHBondContact O-ND1 3.02Å; L291-L395 HydrophobicContact CD2-CD2 3.59Å; L291-L395 HydrophobicContact CD2-CG 4.06Å; L291-M397 HydrophobicContact CD2-CB 3.88Å; L291-M397 HydrophobicContact CD2-SD 4.29Å; L291-M397 HydrophobicContact CG-CB 4.5Å
292	M	97.9	Very high	96.6	Very high	19 Å²	19	39.5 Å²	39.5	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-33.5	178.3	-68.8	-51.8	95.9	0	0	112.9	C280 N288 R289 A290 G296 R306 V321	C280-M292 HydrophobicContact CB-SD 3.96Å; C280-M292 PolarHBondContact SG-SD 3.2Å; N288-M292 VanDerWaalsContact O-CG 3.31Å; N288-M292 WeakPolarHBondContact O-CG 3.47Å; N288-M292 PolarHBondContact O-N 3.49Å; R289-M292 PolarHBondContact O-N 3.32Å; A290-M292 VanDerWaalsContact C-N 3.35Å; A290-M292 PolarHBondContact O-N 3.16Å; M292-G296 WeakPolarHBondContact O-CA 3.2Å; M292-G296 PolarHBondContact O-N 2.93Å; M292-R306 PolarHBondContact O-NH2 2.99Å; M292-V321 HydrophobicContact CB-CG1 4.38Å
293	L	98.5	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.2	-46.8	172.3	-65.6	-168	0	0	0	112.1	A103 M104 V105 R289 A290 L291 H295 V315 V325	A103-L293 HydrophobicContact CB-CB 3.62Å; A103-L293 HydrophobicContact CB-CD1 4.29Å; M104-L293 WeakPolarHBondContact O-CD1 3.36Å; V105-L293 HydrophobicContact CB-CD1 4.15Å; V105-L293 HydrophobicContact CG2-CD1 3.71Å; V105-L293 HydrophobicContact CG2-CG 4.47Å; R289-L293 PolarHBondContact O-N 3.12Å; R289-L293 VanDerWaalsContact O-N 3.11Å; A290-L293 PolarHBondContact O-N 3.25Å; A290-L293 VanDerWaalsContact O-N 3.16Å; L291-L293 VanDerWaalsContact C-N 3.31Å; L291-L293 PolarHBondContact O-N 3.1Å; L293-H295 VanDerWaalsContact C-N 3.34Å; L293-H295 PolarHBondContact O-N 3.34Å; L293-V315 HydrophobicContact CD2-CB 3.56Å; L293-V315 HydrophobicContact CD2-CG1 3.83Å; L293-V315 HydrophobicContact CD2-CG2 3.81Å; L293-V325 HydrophobicContact CB-CG2 4.36Å; L293-V325 WeakPolarHBondContact O-CG2 3.31Å
294	L	98.6	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-40.8	-175.2	-73.6	169.6	0	0	0	112.9	A103 A290 L291 L395 M397	A103-L294 HydrophobicContact CB-CD2 3.89Å; A103-L294 HydrophobicContact CB-CG 4.18Å; A290-L294 WeakPolarHBondContact O-CG 3.33Å; A290-L294 PolarHBondContact O-N 3.2Å; L291-L294 PolarHBondContact O-N 3.38Å; L294-L395 HydrophobicContact CD1-CD2 4.05Å; L294-M397 HydrophobicContact CD1-SD 3.8Å
295	H	98.5	Very high	97.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-143	6.3	-171.6	54.8	54.8	0	0	0	115.5	V98 L291 L293 G297 G298 G303 Y308 L388 V392	V98-H295 HydrophobicContact CG2-CB 4.29Å; L291-H295 WeakPolarHBondContact CD2-NE2 3.2Å; L291-H295 PolarHBondContact O-CE1 3.4Å; L291-H295 PolarHBondContact O-N 3.47Å; L291-H295 VanDerWaalsContact O-N 3.12Å; L291-H295 PolarHBondContact O-ND1 3.02Å; L293-H295 VanDerWaalsContact C-N 3.34Å; L293-H295 PolarHBondContact O-N 3.34Å; H295-G297 PolarHBondContact ND1-N 3.26Å; H295-G297 PolarHBondContact O-N 3.15Å; H295-G298 PolarHBondContact O-N 3.03Å; H295-G303 WeakPolarHBondContact O-CA 3.43Å; H295-Y308 WeakPolarHBondContact CA-OH 3.4Å; H295-L388 HydrophobicContact CB-CD1 4.35Å; H295-V392 HydrophobicContact CB-CG2 3.95Å
296	G	98.1	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-3.3	176.3	0	0	0	0	0	115.9	M292 R301 N302 G303	M292-G296 WeakPolarHBondContact O-CA 3.2Å; M292-G296 PolarHBondContact O-N 2.93Å; G296-R301 WeakPolarHBondContact O-CB 3.34Å; G296-N302 CarbonylContact O-C 3.58Å; G296-N302 WeakPolarHBondContact O-CA 3.33Å; G296-N302 WeakPolarHBondContact O-CB 3.48Å; G296-N302 PolarHBondContact O-N 3.23Å; G296-G303 PolarHBondContact O-N 3.23Å
297	G	97.3	Very high	97.8	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	17.9	179.6	0	0	0	0	0	114	H295	H295-G297 PolarHBondContact ND1-N 3.26Å; H295-G297 PolarHBondContact O-N 3.15Å
298	G	96.6	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	91.6	-172.4	174.3	0	0	0	0	0	114.3	H295 E300 R301 G303	H295-G298 PolarHBondContact O-N 3.03Å; G298-E300 VanDerWaalsContact C-N 3.27Å; G298-E300 PolarHBondContact O-N 2.59Å; G298-R301 PolarHBondContact O-N 3.26Å; G298-G303 VanDerWaalsContact O-CA 3.31Å; G298-G303 WeakPolarHBondContact O-CA 3.47Å; G298-G303 PolarHBondContact O-N 3.41Å
299	R	95.4	Very high	97.8	Very high	110 Å²	110	21.6 Å²	21.6	42%	0.415	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.4	-172.1	63	175.8	-79.2	-179.3	-3.4	113.9	I238 R301 D386	I238-R299 HydrophobicContact CD1-CB 4.43Å; R299-R301 VanDerWaalsContact C-N 3.33Å; R299-D386 IonicContact CZ-OD1 2.82Å; R299-D386 IonicContact NH1-OD1 2.79Å; R299-D386 PolarHBondContact NH1-OD1 3.44Å
300	E	93.5	Very high	97.8	Very high	172 Å²	172	21.1 Å²	21.1	80%	0.804	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.5	-178.1	-57.4	-172.3	162.5	0	0	113	G298	G298-E300 VanDerWaalsContact C-N 3.27Å; G298-E300 PolarHBondContact O-N 2.59Å
301	R	95.8	Very high	97.8	Very high	92 Å²	92	21.2 Å²	21.2	35%	0.347	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-133	-178.7	-59.4	-173.9	-178.6	-165.6	-0.9	110.2	G296 G298 R299	G296-R301 WeakPolarHBondContact O-CB 3.34Å; G298-R301 PolarHBondContact O-N 3.26Å; R299-R301 VanDerWaalsContact C-N 3.33Å
302	N	98.2	Very high	97.8	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.032	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7.3	-175.7	-61.3	-59.2	0	0	0	113.2	D277 E278 C280 G296 A304 N305 R306	D277-N302 HydrophobicContact CB-CB 4.4Å; D277-N302 VanDerWaalsContact OD2-CB 3.3Å; D277-N302 WeakPolarHBondContact OD2-CB 3.46Å; E278-N302 PolarHBondContact N-OD1 2.87Å; E278-N302 VanDerWaalsContact N-OD1 3.09Å; E278-N302 PolarHBondContact O-ND2 3.31Å; C280-N302 PolarHBondContact SG-ND2 2.89Å; G296-N302 CarbonylContact O-C 3.58Å; G296-N302 WeakPolarHBondContact O-CA 3.33Å; G296-N302 WeakPolarHBondContact O-CB 3.48Å; G296-N302 PolarHBondContact O-N 3.23Å; N302-A304 PolarHBondContact O-N 2.87Å; N302-N305 HydrophobicContact CB-CB 4.32Å; N302-N305 WeakPolarHBondContact O-CB 3.45Å; N302-N305 PolarHBondContact O-N 2.86Å; N302-R306 PolarHBondContact O-NH1 3.5Å
303	G	98.1	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.2	-176.7	0	0	0	0	0	114.3	H295 G296 G298	H295-G303 WeakPolarHBondContact O-CA 3.43Å; G296-G303 PolarHBondContact O-N 3.23Å; G298-G303 VanDerWaalsContact O-CA 3.31Å; G298-G303 WeakPolarHBondContact O-CA 3.47Å; G298-G303 PolarHBondContact O-N 3.41Å
304	A	98.6	Very high	97.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.7	172.4	0	0	0	0	0	114.1	N196 P235 I238 N302 R306	N196-A304 HydrophobicContact CB-CB 4.26Å; N196-A304 WeakPolarHBondContact OD1-CB 3.31Å; P235-A304 HydrophobicContact CB-CB 3.65Å; I238-A304 HydrophobicContact CB-CB 3.94Å; I238-A304 HydrophobicContact CD1-CB 4.06Å; N302-A304 PolarHBondContact O-N 2.87Å; A304-R306 PolarHBondContact O-N 2.68Å
305	N	98.7	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-83.9	44.5	179.4	-159.3	49.4	0	0	0	110.1	A193 C194 K195 N196 C275 L276 D277 N302	A193-N305 WeakPolarHBondContact CB-OD1 3.47Å; A193-N305 PolarHBondContact O-ND2 2.9Å; A193-N305 PolarHBondContact O-OD1 3.4Å; C194-N305 WeakPolarHBondContact CA-OD1 3.35Å; C194-N305 PolarHBondContact N-OD1 3.47Å; C194-N305 VanDerWaalsContact N-OD1 3.16Å; K195-N305 PolarHBondContact N-OD1 2.82Å; N196-N305 PolarHBondContact N-OD1 3.31Å; N196-N305 VanDerWaalsContact N-OD1 3.15Å; N196-N305 WeakPolarHBondContact OD1-CA 3.41Å; N196-N305 WeakPolarHBondContact OD1-CB 3.31Å; N196-N305 PolarHBondContact OD1-N 3.35Å; C275-N305 WeakPolarHBondContact CB-O 3.3Å; C275-N305 PolarHBondContact SG-O 3.37Å; L276-N305 PolarHBondContact O-ND2 3.28Å; L276-N305 VanDerWaalsContact O-ND2 3.08Å; D277-N305 PolarHBondContact OD1-ND2 2.96Å; N302-N305 HydrophobicContact CB-CB 4.32Å; N302-N305 WeakPolarHBondContact O-CB 3.45Å; N302-N305 PolarHBondContact O-N 2.86Å
306	R	98.8	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.082	C	C	.	.			trans	-146.4	160.6	-167.2	-61.1	-66.1	-176.5	-86.1	-1.5	110.5	F198 G237 D277 M292 N302 A304 Y308	F198-R306 WeakPolarHBondContact CZ-O 3.36Å; G237-R306 VanDerWaalsContact CA-O 3.27Å; G237-R306 WeakPolarHBondContact CA-O 3.43Å; D277-R306 VanDerWaalsContact CG-NH1 3.33Å; D277-R306 IonicContact OD1-CZ 2.87Å; D277-R306 IonicContact OD1-NH1 2.91Å; D277-R306 PolarHBondContact OD1-NH1 3.45Å; D277-R306 IonicContact OD1-NH2 3.99Å; D277-R306 IonicContact OD2-CZ 2.68Å; D277-R306 IonicContact OD2-NH1 3.86Å; D277-R306 PolarHBondContact OD2-NH1 2.9Å; D277-R306 VanDerWaalsContact OD2-NH1 3.11Å; D277-R306 IonicContact OD2-NH2 3.93Å; D277-R306 PolarHBondContact OD2-NH2 2.98Å; M292-R306 PolarHBondContact O-NH2 2.99Å; N302-R306 PolarHBondContact O-NH1 3.5Å; A304-R306 PolarHBondContact O-N 2.68Å; R306-Y308 HydrophobicContact CB-CD2 4.04Å; R306-Y308 HydrophobicContact CB-CE2 3.56Å; R306-Y308 HydrophobicContact CG-CE2 3.99Å
307	W	98.9	Very high	97.8	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	8%	0.082	C	C	.	.			trans	-142.9	85.6	168.6	-166	-86.4	0	0	0	110.4	Y166 F198 T240 W247 L264 I267 V273 D309 K310 Q313 W371	Y166-W307 AromaticContact CE2-CD1 3.96Å; Y166-W307 AromaticContact CE2-NE1 3.42Å; Y166-W307 AromaticContact CZ-NE1 3.58Å; Y166-W307 PolarHBondContact OH-NE1 3.39Å; F198-W307 HydrophobicContact CE1-CB 4.5Å; F198-W307 HydrophobicContact CE1-CE3 4.44Å; F198-W307 HydrophobicContact CE2-CE3 4.5Å; F198-W307 HydrophobicContact CZ-CE3 4.11Å; T240-W307 HydrophobicContact CG2-CD2 3.61Å; T240-W307 HydrophobicContact CG2-CE3 3.75Å; T240-W307 HydrophobicContact CG2-CG 4.17Å; T240-W307 HydrophobicContact CG2-CH2 3.98Å; T240-W307 HydrophobicContact CG2-CZ2 3.84Å; T240-W307 HydrophobicContact CG2-CZ3 3.93Å; W247-W307 HydrophobicContact CH2-CH2 4.13Å; W247-W307 HydrophobicContact CH2-CZ2 4.32Å; W247-W307 HydrophobicContact CZ2-CH2 4.18Å; W247-W307 AromaticContact CZ2-CZ2 3.93Å; W247-W307 HydrophobicContact CZ2-CZ2 3.93Å; L264-W307 HydrophobicContact CD2-CH2 3.49Å; L264-W307 VanDerWaalsContact CD2-CH2 3.49Å; L264-W307 HydrophobicContact CD2-CZ2 3.44Å; L264-W307 VanDerWaalsContact CD2-CZ2 3.44Å; I267-W307 HydrophobicContact CD1-CD2 3.98Å; I267-W307 HydrophobicContact CD1-CE3 3.8Å; I267-W307 HydrophobicContact CD1-CH2 4.02Å; I267-W307 HydrophobicContact CD1-CZ2 4.18Å; I267-W307 HydrophobicContact CD1-CZ3 3.82Å; I267-W307 HydrophobicContact CG2-CB 4.44Å; I267-W307 HydrophobicContact CG2-CD2 3.74Å; I267-W307 HydrophobicContact CG2-CG 3.6Å; I267-W307 HydrophobicContact CG2-CZ2 4.39Å; V273-W307 HydrophobicContact CG2-CB 4.2Å; W307-D309 PolarHBondContact O-N 3.2Å; W307-K310 PolarHBondContact O-N 2.9Å; W307-Q313 PolarHBondContact O-NE2 3.46Å; W307-Q313 PolarHBondContact O-OE1 3.09Å; W307-W371 AromaticContact CH2-CH2 3.99Å; W307-W371 HydrophobicContact CH2-CH2 3.99Å; W307-W371 HydrophobicContact CZ3-CH2 4.24Å; W307-W371 HydrophobicContact CZ3-CZ2 4.4Å
308	Y	98.9	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	-163.7	-72.8	-78.8	0	0	0	115.8	L96 P97 N101 T240 H295 R306 K310 Q313 V325	L96-Y308 VanDerWaalsContact CD1-O 3.32Å; L96-Y308 WeakPolarHBondContact CD1-O 3.49Å; P97-Y308 HydrophobicContact CB-CD1 4.21Å; P97-Y308 HydrophobicContact CB-CE1 3.65Å; P97-Y308 HydrophobicContact CB-CE2 4.41Å; P97-Y308 HydrophobicContact CG-CD1 4.47Å; P97-Y308 HydrophobicContact CG-CE1 4.23Å; P97-Y308 HydrophobicContact CG-CE2 4.28Å; N101-Y308 PolarHBondContact ND2-O 2.96Å; N101-Y308 VanDerWaalsContact ND2-O 3.08Å; T240-Y308 WeakPolarHBondContact O-CB 3.12Å; T240-Y308 WeakPolarHBondContact OG1-CD2 3.31Å; T240-Y308 PolarHBondContact OG1-N 3.2Å; H295-Y308 WeakPolarHBondContact CA-OH 3.4Å; R306-Y308 HydrophobicContact CB-CD2 4.04Å; R306-Y308 HydrophobicContact CB-CE2 3.56Å; R306-Y308 HydrophobicContact CG-CE2 3.99Å; Y308-K310 VanDerWaalsContact C-N 3.3Å; Y308-K310 PolarHBondContact O-N 3.09Å; Y308-Q313 VanDerWaalsContact CA-NE2 3.31Å; Y308-V325 HydrophobicContact CD1-CG1 4.46Å; Y308-V325 HydrophobicContact CE1-CG1 4.3Å
309	D	98.8	Very high	97.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.5	177.6	-68.3	-7.6	0	0	0	113.6	Y166 R167 R244 W247 W307	Y166-D309 HydrophobicContact CD1-CB 4.45Å; Y166-D309 HydrophobicContact CD2-CB 4.39Å; Y166-D309 HydrophobicContact CE1-CB 3.77Å; Y166-D309 HydrophobicContact CE2-CB 3.74Å; Y166-D309 VanDerWaalsContact OH-CB 3.31Å; Y166-D309 WeakPolarHBondContact OH-CB 3.22Å; Y166-D309 PolarHBondContact OH-OD2 3.48Å; R167-D309 PolarHBondContact N-O 2.95Å; R167-D309 VanDerWaalsContact N-O 3.11Å; R167-D309 WeakPolarHBondContact O-CB 3.43Å; R244-D309 IonicContact CZ-OD1 2.64Å; R244-D309 IonicContact NH1-OD1 3.88Å; R244-D309 PolarHBondContact NH1-OD1 3.35Å; R244-D309 IonicContact NH2-OD1 2.91Å; R244-D309 PolarHBondContact NH2-OD1 3.37Å; W247-D309 PolarHBondContact NE1-OD1 3.1Å; W247-D309 PolarHBondContact NE1-OD2 2.9Å; W307-D309 PolarHBondContact O-N 3.2Å
310	K	98.6	Very high	97.5	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-81.9	132.6	179.9	-169.3	64.1	-176.9	175	0	110.1	S165 Y166 E268 C270 V273 W307 Y308 M312 Q313	S165-K310 PolarHBondContact O-NZ 2.65Å; S165-K310 VanDerWaalsContact O-NZ 3.11Å; Y166-K310 HydrophobicContact CD2-CD 4.25Å; E268-K310 PolarHBondContact O-NZ 3.43Å; C270-K310 WeakPolarHBondContact O-CE 3.45Å; C270-K310 PolarHBondContact O-NZ 2.86Å; V273-K310 HydrophobicContact CG2-CB 3.97Å; V273-K310 HydrophobicContact CG2-CG 4.03Å; W307-K310 PolarHBondContact O-N 2.9Å; Y308-K310 VanDerWaalsContact C-N 3.3Å; Y308-K310 PolarHBondContact O-N 3.09Å; K310-M312 VanDerWaalsContact C-N 3.32Å; K310-M312 PolarHBondContact O-N 2.91Å; K310-Q313 HydrophobicContact CB-CG 4.41Å; K310-Q313 PolarHBondContact O-NE2 3.25Å
311	S	97.9	Very high	97.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.046	C	C	.	.	S	Bend	trans	-52.1	-43.4	-176	52.5	0	0	0	0	114.7	L162 C326 E327	L162-S311 WeakPolarHBondContact O-CB 3.46Å; L162-S311 PolarHBondContact O-OG 3.01Å; S311-C326 VanDerWaalsContact O-CA 3.27Å; S311-C326 WeakPolarHBondContact O-CA 3.35Å; S311-E327 PolarHBondContact O-N 3.14Å
312	M	98.4	Very high	97.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.6	-176.6	-62.5	-66	-74.8	0	0	110.2	L162 F163 C272 V273 K310 F314 V324 F331	L162-M312 HydrophobicContact CD2-CE 4.23Å; L162-M312 HydrophobicContact CD2-CG 4.34Å; L162-M312 HydrophobicContact CD2-SD 3.8Å; L162-M312 VanDerWaalsContact O-CG 3.28Å; L162-M312 WeakPolarHBondContact O-CG 3.2Å; F163-M312 HydrophobicContact CD1-CG 4.26Å; F163-M312 HydrophobicContact CE1-CB 4.4Å; F163-M312 HydrophobicContact CE1-CG 4.11Å; C272-M312 WeakPolarHBondContact CA-O 3.44Å; C272-M312 HydrophobicContact CB-CB 4.13Å; C272-M312 WeakPolarHBondContact CB-O 3.15Å; V273-M312 PolarHBondContact N-O 3.4Å; K310-M312 VanDerWaalsContact C-N 3.32Å; K310-M312 PolarHBondContact O-N 2.91Å; M312-F314 HydrophobicContact CB-CE2 4.15Å; M312-F314 HydrophobicContact CE-CE1 4.2Å; M312-F314 HydrophobicContact CE-CE2 4.39Å; M312-F314 HydrophobicContact CE-CZ 3.68Å; M312-V324 HydrophobicContact CE-CG2 3.85Å; M312-V324 HydrophobicContact SD-CG2 4.36Å; M312-F331 HydrophobicContact CG-CZ 4.37Å; M312-F331 HydrophobicContact SD-CE1 4.3Å; M312-F331 HydrophobicContact SD-CE2 4.2Å; M312-F331 HydrophobicContact SD-CZ 3.54Å; M312-F331 VanDerWaalsContact SD-CZ 3.54Å
313	Q	98.5	Very high	97.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106	175.9	-56.6	167.9	57.7	0	0	109.5	V273 W307 Y308 K310 V324 V325	V273-Q313 HydrophobicContact CB-CB 4.27Å; V273-Q313 HydrophobicContact CB-CG 3.96Å; V273-Q313 HydrophobicContact CG2-CG 4.17Å; V273-Q313 CarbonylContact O-C 3.5Å; V273-Q313 VanDerWaalsContact O-CA 3.32Å; V273-Q313 WeakPolarHBondContact O-CA 3.46Å; W307-Q313 PolarHBondContact O-NE2 3.46Å; W307-Q313 PolarHBondContact O-OE1 3.09Å; Y308-Q313 VanDerWaalsContact CA-NE2 3.31Å; K310-Q313 HydrophobicContact CB-CG 4.41Å; K310-Q313 PolarHBondContact O-NE2 3.25Å; Q313-V324 CarbonylContact O-C 3.5Å; Q313-V324 WeakPolarHBondContact O-CA 3.41Å; Q313-V324 WeakPolarHBondContact O-CG2 3.41Å; Q313-V325 HydrophobicContact CB-CB 4.39Å; Q313-V325 PolarHBondContact N-O 2.79Å; Q313-V325 PolarHBondContact O-N 2.96Å
314	F	98.9	Very high	97.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.1	-179.1	-64.4	-82	0	0	0	110.1	F106 L124 V128 F163 C272 V273 V274 C275 M312 G323 V324 L343	F106-F314 HydrophobicContact CZ-CD1 4.44Å; L124-F314 HydrophobicContact CD1-CB 4.17Å; L124-F314 HydrophobicContact CD1-CD1 4.04Å; L124-F314 HydrophobicContact CD1-CG 4.31Å; L124-F314 HydrophobicContact CD2-CB 3.67Å; L124-F314 HydrophobicContact CD2-CD1 4.01Å; L124-F314 HydrophobicContact CD2-CD2 3.99Å; L124-F314 HydrophobicContact CD2-CG 3.62Å; L124-F314 HydrophobicContact CG-CD1 4.42Å; L124-F314 HydrophobicContact CG-CG 4.49Å; V128-F314 HydrophobicContact CG2-CD2 4.2Å; V128-F314 HydrophobicContact CG2-CE1 4.49Å; V128-F314 HydrophobicContact CG2-CE2 3.53Å; V128-F314 HydrophobicContact CG2-CZ 3.7Å; F163-F314 HydrophobicContact CE1-CE2 4.48Å; C272-F314 HydrophobicContact CB-CD2 4.13Å; C272-F314 HydrophobicContact CB-CE2 4.05Å; V273-F314 PolarHBondContact O-N 3.44Å; V274-F314 CarbonylContact C-O 3.53Å; V274-F314 WeakPolarHBondContact CA-O 3.37Å; C275-F314 PolarHBondContact N-O 2.83Å; M312-F314 HydrophobicContact CB-CE2 4.15Å; M312-F314 HydrophobicContact CE-CE1 4.2Å; M312-F314 HydrophobicContact CE-CE2 4.39Å; M312-F314 HydrophobicContact CE-CZ 3.68Å; F314-G323 CarbonylContact C-O 3.49Å; F314-G323 WeakPolarHBondContact CA-O 3.49Å; F314-V324 HydrophobicContact CD1-CB 3.8Å; F314-V324 HydrophobicContact CD1-CG2 3.88Å; F314-V324 HydrophobicContact CE1-CB 3.99Å; F314-V324 HydrophobicContact CE1-CG2 3.89Å; F314-V324 HydrophobicContact CG-CG2 4.36Å; F314-V324 HydrophobicContact CZ-CG2 4.37Å; F314-L343 HydrophobicContact CD1-CD1 4.42Å; F314-L343 HydrophobicContact CE1-CD1 3.44Å; F314-L343 VanDerWaalsContact CE1-CD1 3.44Å; F314-L343 HydrophobicContact CZ-CD1 3.64Å
315	V	98.9	Very high	97.9	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.7	179.4	-177.9	0	0	0	0	109.2	C275 D277 L293 C322 G323 V325	C275-V315 HydrophobicContact CB-CG2 4.18Å; D277-V315 HydrophobicContact CB-CG1 4.22Å; D277-V315 VanDerWaalsContact OD2-CG1 3.32Å; D277-V315 WeakPolarHBondContact OD2-CG1 3.47Å; L293-V315 HydrophobicContact CD2-CB 3.56Å; L293-V315 HydrophobicContact CD2-CG1 3.83Å; L293-V315 HydrophobicContact CD2-CG2 3.81Å; V315-C322 VanDerWaalsContact O-CA 3.24Å; V315-C322 WeakPolarHBondContact O-CA 3.35Å; V315-G323 PolarHBondContact N-O 2.77Å; V315-G323 PolarHBondContact O-N 3.37Å; V315-V325 HydrophobicContact CG2-CG2 4.29Å
316	V	98.7	Very high	97.8	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	92.8	174.1	-175.8	0	0	0	0	108	F111 A117 F120 A121 C275 L276 D277	F111-V316 HydrophobicContact CE2-CG1 4.15Å; F111-V316 HydrophobicContact CZ-CG1 4.38Å; A117-V316 HydrophobicContact CB-CG1 4.32Å; F120-V316 HydrophobicContact CD1-CG1 3.91Å; F120-V316 HydrophobicContact CD1-CG2 3.99Å; F120-V316 HydrophobicContact CE1-CG2 4.22Å; A121-V316 HydrophobicContact CB-CB 4.43Å; A121-V316 HydrophobicContact CB-CG1 4.33Å; A121-V316 HydrophobicContact CB-CG2 4.11Å; C275-V316 PolarHBondContact O-N 2.92Å; L276-V316 HydrophobicContact CD2-CB 4.34Å; D277-V316 PolarHBondContact N-O 2.84Å; D277-V316 VanDerWaalsContact N-O 3.08Å
317	G	97.4	Very high	97.8	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.01	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.9	173.9	0	0	0	0	0	111.6	F111 D319 G320 V321	F111-G317 WeakPolarHBondContact CD2-O 3.39Å; F111-G317 WeakPolarHBondContact CE2-O 3.15Å; G317-D319 PolarHBondContact O-N 3.39Å; G317-G320 PolarHBondContact O-N 2.89Å; G317-V321 WeakPolarHBondContact CA-O 3.43Å; G317-V321 PolarHBondContact N-O 2.97Å
318	T	93.2	Very high	97.8	Very high	40 Å²	40	7 Å²	7	25%	0.245	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.4	176	45.5	0	0	0	0	113.3	H114 A117 D277 P279 G320	H114-T318 HydrophobicContact CB-CG2 4.49Å; A117-T318 HydrophobicContact CB-CG2 4.11Å; D277-T318 PolarHBondContact O-N 3.4Å; D277-T318 VanDerWaalsContact O-N 3.14Å; D277-T318 PolarHBondContact O-OG1 3.03Å; D277-T318 VanDerWaalsContact O-OG1 3.12Å; P279-T318 WeakPolarHBondContact CD-OG1 3.26Å; P279-T318 VanDerWaalsContact CG-OG1 3.27Å; P279-T318 WeakPolarHBondContact CG-OG1 3.34Å; T318-G320 VanDerWaalsContact C-N 3.28Å
319	D	93.4	Very high	97.8	Very high	48 Å²	48	7 Å²	7	26%	0.257	4%	0.038	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.6	170.9	61	-0.2	0	0	0	114	P279 G317 V321	P279-D319 HydrophobicContact CB-CB 4.22Å; G317-D319 PolarHBondContact O-N 3.39Å; D319-V321 WeakPolarHBondContact OD1-CB 3.36Å; D319-V321 WeakPolarHBondContact OD1-CG2 3.2Å; D319-V321 PolarHBondContact OD1-N 3.1Å; D319-V321 VanDerWaalsContact OD1-N 3.16Å
320	G	95.7	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	86.8	6.5	179.1	0	0	0	0	0	114.6	Q109 G317 T318 C322	Q109-G320 PolarHBondContact N-O 2.87Å; Q109-G320 WeakPolarHBondContact O-CA 3.31Å; G317-G320 PolarHBondContact O-N 2.89Å; T318-G320 VanDerWaalsContact C-N 3.28Å; G320-C322 PolarHBondContact O-N 3.16Å
321	V	97.5	Very high	97.7	Very high	7 Å²	7	7 Å²	7	4%	0.042	4%	0.038	C	C	.	.			trans	-79.5	103.8	172.7	-176.7	0	0	0	0	109.6	P284 R289 M292 G317 D319	P284-V321 HydrophobicContact CB-CG2 3.9Å; R289-V321 HydrophobicContact CB-CG1 4.04Å; R289-V321 HydrophobicContact CG-CG1 4.07Å; R289-V321 HydrophobicContact CG-CG2 3.84Å; M292-V321 HydrophobicContact CB-CG1 4.38Å; G317-V321 WeakPolarHBondContact CA-O 3.43Å; G317-V321 PolarHBondContact N-O 2.97Å; D319-V321 WeakPolarHBondContact OD1-CB 3.36Å; D319-V321 WeakPolarHBondContact OD1-CG2 3.2Å; D319-V321 PolarHBondContact OD1-N 3.1Å; D319-V321 VanDerWaalsContact OD1-N 3.16Å
322	C	98.4	Very high	97.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.6	179.8	-58	0	0	0	0	112	F106 Q109 F120 V315 G320	F106-C322 HydrophobicContact CB-CB 4.35Å; F106-C322 WeakPolarHBondContact CB-O 3.31Å; F106-C322 HydrophobicContact CD2-CB 4.17Å; F106-C322 PolarHBondContact N-O 3.02Å; Q109-C322 HydrophobicContact CG-CB 4.36Å; F120-C322 HydrophobicContact CE1-CB 4.17Å; F120-C322 HydrophobicContact CZ-CB 4.41Å; V315-C322 VanDerWaalsContact O-CA 3.24Å; V315-C322 WeakPolarHBondContact O-CA 3.35Å; G320-C322 PolarHBondContact O-N 3.16Å
323	G	98.6	Very high	97.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-161.5	173.3	0	0	0	0	0	113	M104 F314 V315	M104-G323 CarbonylContact O-C 3.56Å; M104-G323 WeakPolarHBondContact O-CA 3.43Å; F314-G323 CarbonylContact C-O 3.49Å; F314-G323 WeakPolarHBondContact CA-O 3.49Å; V315-G323 PolarHBondContact N-O 2.77Å; V315-G323 PolarHBondContact O-N 3.37Å
324	V	98.8	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137	175.1	60.6	0	0	0	0	110.7	A103 M104 F106 M312 Q313 F314 M336	A103-V324 WeakPolarHBondContact CA-O 3.05Å; M104-V324 HydrophobicContact CB-CG1 3.76Å; M104-V324 PolarHBondContact N-O 2.88Å; M104-V324 PolarHBondContact O-N 2.79Å; F106-V324 HydrophobicContact CE1-CG1 4.05Å; F106-V324 HydrophobicContact CZ-CB 4.22Å; F106-V324 HydrophobicContact CZ-CG1 4.02Å; M312-V324 HydrophobicContact CE-CG2 3.85Å; M312-V324 HydrophobicContact SD-CG2 4.36Å; Q313-V324 CarbonylContact O-C 3.5Å; Q313-V324 WeakPolarHBondContact O-CA 3.41Å; Q313-V324 WeakPolarHBondContact O-CG2 3.41Å; F314-V324 HydrophobicContact CD1-CB 3.8Å; F314-V324 HydrophobicContact CD1-CG2 3.88Å; F314-V324 HydrophobicContact CE1-CB 3.99Å; F314-V324 HydrophobicContact CE1-CG2 3.89Å; F314-V324 HydrophobicContact CG-CG2 4.36Å; F314-V324 HydrophobicContact CZ-CG2 4.37Å; V324-M336 HydrophobicContact CG1-CG 4.26Å; V324-M336 HydrophobicContact CG1-SD 4.41Å
325	V	98.8	Very high	97	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.2	169.2	-174.9	0	0	0	0	107.6	N101 L293 Y308 Q313 V315	N101-V325 HydrophobicContact CB-CG1 4.08Å; L293-V325 HydrophobicContact CB-CG2 4.36Å; L293-V325 WeakPolarHBondContact O-CG2 3.31Å; Y308-V325 HydrophobicContact CD1-CG1 4.46Å; Y308-V325 HydrophobicContact CE1-CG1 4.3Å; Q313-V325 HydrophobicContact CB-CB 4.39Å; Q313-V325 PolarHBondContact N-O 2.79Å; Q313-V325 PolarHBondContact O-N 2.96Å; V315-V325 HydrophobicContact CG2-CG2 4.29Å
326	C	97.8	Very high	96.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.9	-173.8	-68.8	0	0	0	0	112	N101 P102 S311 H328 F331 M336	N101-C326 WeakPolarHBondContact CA-O 3.48Å; N101-C326 WeakPolarHBondContact CB-O 3.35Å; P102-C326 WeakPolarHBondContact CD-O 3.28Å; P102-C326 HydrophobicContact CG-CB 4.39Å; P102-C326 PolarHBondContact O-N 2.96Å; S311-C326 VanDerWaalsContact O-CA 3.27Å; S311-C326 WeakPolarHBondContact O-CA 3.35Å; C326-H328 PolarHBondContact O-N 3.17Å; C326-F331 HydrophobicContact CB-CE2 4.04Å; C326-F331 HydrophobicContact CB-CZ 4.19Å; C326-M336 HydrophobicContact CB-SD 4.07Å; C326-M336 VanDerWaalsContact SG-CG 3.56Å; C326-M336 PolarHBondContact SG-SD 2.88Å
327	E	98.6	Very high	96.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.			trans	-73.3	120.8	163.2	-160.1	-73.9	122.7	0	0	108.2	L96 N101 R167 S311 S329 P330	L96-E327 HydrophobicContact CD1-CG 4.1Å; N101-E327 WeakPolarHBondContact OD1-CA 3.45Å; R167-E327 HydrophobicContact CB-CG 4.09Å; R167-E327 WeakPolarHBondContact CD-OE1 3.36Å; R167-E327 IonicContact CZ-OE1 3.44Å; R167-E327 IonicContact NE-OE1 2.64Å; R167-E327 IonicContact NH1-OE1 3.73Å; R167-E327 PolarHBondContact NH1-OE1 3.28Å; R167-E327 VanDerWaalsContact NH1-OE1 3.12Å; S311-E327 PolarHBondContact O-N 3.14Å; E327-S329 VanDerWaalsContact CD-OG 3.29Å; E327-S329 WeakPolarHBondContact OE1-CB 3.31Å; E327-S329 PolarHBondContact OE1-N 3.45Å; E327-S329 PolarHBondContact OE1-OG 2.9Å; E327-S329 WeakPolarHBondContact OE2-CB 3.42Å; E327-S329 PolarHBondContact OE2-OG 2.93Å; E327-P330 WeakPolarHBondContact O-CD 3.47Å; E327-P330 WeakPolarHBondContact OE2-CD 3.38Å
328	H	98.1	Very high	96.7	Very high	45 Å²	45	13.1 Å²	13.1	21%	0.208	7%	0.072	C	C	.	.	S	Bend	trans	-85.9	-18	-160.8	-161	0.6	0	0	0	114.1	Y89 S100 C326 P330 F331 R452	Y89-H328 HydrophobicContact CD1-CB 4.24Å; Y89-H328 HydrophobicContact CE1-CB 3.61Å; Y89-H328 AromaticContact CE1-CD2 3.82Å; Y89-H328 AromaticContact CE1-CG 3.67Å; Y89-H328 AromaticContact CZ-CG 3.97Å; S100-H328 WeakPolarHBondContact O-CB 2.98Å; C326-H328 PolarHBondContact O-N 3.17Å; H328-P330 VanDerWaalsContact C-N 3.33Å; H328-F331 PolarHBondContact CE1-O 3.48Å; H328-F331 PolarHBondContact ND1-O 3.32Å; H328-R452 PolarHBondContact O-NH2 3.39Å
329	S	98.4	Very high	96.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-55.7	-32	-177.5	82.2	0	0	0	0	115.6	L85 E327 R452	L85-S329 WeakPolarHBondContact CD1-O 3.39Å; E327-S329 VanDerWaalsContact CD-OG 3.29Å; E327-S329 WeakPolarHBondContact OE1-CB 3.31Å; E327-S329 PolarHBondContact OE1-N 3.45Å; E327-S329 PolarHBondContact OE1-OG 2.9Å; E327-S329 WeakPolarHBondContact OE2-CB 3.42Å; E327-S329 PolarHBondContact OE2-OG 2.93Å; S329-R452 PolarHBondContact O-NH1 2.88Å
330	P	98.1	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-88.1	-27.5	-174.2	-5	24.5	0	0	0	114.5	R161 L176 E327 H328 R452	R161-P330 HydrophobicContact CB-CB 3.91Å; R161-P330 VanDerWaalsContact CD-O 3.31Å; R161-P330 WeakPolarHBondContact CD-O 3.38Å; R161-P330 PolarHBondContact NH1-O 3.05Å; L176-P330 HydrophobicContact CD1-CB 4.24Å; L176-P330 HydrophobicContact CD1-CG 3.81Å; L176-P330 HydrophobicContact CD2-CB 4.03Å; L176-P330 HydrophobicContact CD2-CG 4.28Å; E327-P330 WeakPolarHBondContact O-CD 3.47Å; E327-P330 WeakPolarHBondContact OE2-CD 3.38Å; H328-P330 VanDerWaalsContact C-N 3.33Å; P330-R452 PolarHBondContact O-NH1 2.88Å
331	F	97.8	Very high	97.2	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	5%	0.05	C	C	.	.			trans	-152.7	162.9	-172.5	54	-101.2	0	0	0	114.3	Q158 L162 M312 C326 H328 V335 M336 R452	Q158-F331 HydrophobicContact CB-CB 3.88Å; Q158-F331 HydrophobicContact CG-CB 4.47Å; L162-F331 HydrophobicContact CD2-CD1 3.89Å; L162-F331 HydrophobicContact CD2-CD2 4.24Å; L162-F331 HydrophobicContact CD2-CE1 3.73Å; L162-F331 HydrophobicContact CD2-CE2 4.08Å; L162-F331 HydrophobicContact CD2-CG 4.18Å; L162-F331 HydrophobicContact CD2-CZ 3.84Å; L162-F331 HydrophobicContact CG-CD1 4.4Å; L162-F331 HydrophobicContact CG-CE1 4.5Å; M312-F331 HydrophobicContact CG-CZ 4.37Å; M312-F331 HydrophobicContact SD-CE1 4.3Å; M312-F331 HydrophobicContact SD-CE2 4.2Å; M312-F331 HydrophobicContact SD-CZ 3.54Å; M312-F331 VanDerWaalsContact SD-CZ 3.54Å; C326-F331 HydrophobicContact CB-CE2 4.04Å; C326-F331 HydrophobicContact CB-CZ 4.19Å; H328-F331 PolarHBondContact CE1-O 3.48Å; H328-F331 PolarHBondContact ND1-O 3.32Å; F331-V335 HydrophobicContact CB-CB 4.24Å; F331-V335 HydrophobicContact CB-CG1 4.22Å; F331-M336 HydrophobicContact CE2-CB 4.24Å; F331-R452 PolarHBondContact O-NH2 2.87Å
332	E	94.9	Very high	97.2	Very high	14 Å²	14	12 Å²	12	7%	0.065	6%	0.061	C	C	.	.			trans	-84.2	162.8	177	-75	163.7	-127.9	0	0	113.8	Q158 I334 V335 M336 S444 R452 V453	Q158-E332 PolarHBondContact NE2-OE1 3.16Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 HydrophobicContact CB-CG2 4.3Å; E332-I334 PolarHBondContact O-N 2.86Å; E332-V335 WeakPolarHBondContact O-CB 3.48Å; E332-V335 PolarHBondContact O-N 3.37Å; E332-V335 VanDerWaalsContact O-N 3.13Å; E332-M336 PolarHBondContact O-N 3.35Å; E332-S444 WeakPolarHBondContact OE2-CB 3.4Å; E332-S444 PolarHBondContact OE2-OG 2.79Å; E332-R452 WeakPolarHBondContact OE1-CA 3.47Å; E332-R452 IonicContact OE1-NE 3.52Å; E332-V453 VanDerWaalsContact CD-CG1 3.46Å; E332-V453 HydrophobicContact CG-CG1 3.72Å
333	G	93.4	Very high	97.1	Very high	18 Å²	18	12 Å²	12	19%	0.186	6%	0.061	C	C	.	.	H	α-helix	trans	-57.6	-33	177.5	0	0	0	0	0	114.5	V335 M336 V337	G333-V335 VanDerWaalsContact C-N 3.28Å; G333-V335 PolarHBondContact O-N 3.15Å; G333-M336 WeakPolarHBondContact O-CB 3.45Å; G333-M336 PolarHBondContact O-N 2.85Å; G333-V337 WeakPolarHBondContact O-CG2 3.44Å; G333-V337 PolarHBondContact O-N 2.95Å
334	I	94.1	Very high	96.9	Very high	55 Å²	55	12.1 Å²	12.1	28%	0.282	6%	0.062	S	C	.	.	H	α-helix	trans	-64.8	-33.1	178.9	-167.7	59.9	0	0	0	112.7	E332 V337 Q338	E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 HydrophobicContact CB-CG2 4.3Å; E332-I334 PolarHBondContact O-N 2.86Å; I334-V337 PolarHBondContact O-N 3.02Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 3.31Å
335	V	95.5	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71.1	-42.1	178.3	179.5	0	0	0	0	109.7	Q158 Y159 L162 F331 E332 G333 V337 Q338 C339	Q158-V335 HydrophobicContact CB-CG1 4.37Å; Q158-V335 HydrophobicContact CB-CG2 3.78Å; Y159-V335 HydrophobicContact CD1-CG1 3.63Å; Y159-V335 HydrophobicContact CD2-CG1 4.46Å; Y159-V335 HydrophobicContact CE1-CB 4.41Å; Y159-V335 HydrophobicContact CE1-CG1 3.71Å; Y159-V335 HydrophobicContact CE2-CG2 4.47Å; Y159-V335 HydrophobicContact CG-CG1 4.02Å; L162-V335 HydrophobicContact CD1-CG1 4.01Å; L162-V335 HydrophobicContact CD2-CG1 4.08Å; L162-V335 HydrophobicContact CG-CG1 4.05Å; F331-V335 HydrophobicContact CB-CB 4.24Å; F331-V335 HydrophobicContact CB-CG1 4.22Å; E332-V335 WeakPolarHBondContact O-CB 3.48Å; E332-V335 PolarHBondContact O-N 3.37Å; E332-V335 VanDerWaalsContact O-N 3.13Å; G333-V335 VanDerWaalsContact C-N 3.28Å; G333-V335 PolarHBondContact O-N 3.15Å; V335-V337 VanDerWaalsContact C-N 3.34Å; V335-V337 PolarHBondContact O-N 3.43Å; V335-Q338 PolarHBondContact O-N 3.25Å; V335-C339 PolarHBondContact O-N 3.04Å; V335-C339 VanDerWaalsContact O-N 3.16Å
336	M	96.1	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-43.7	170.5	173.9	-167.7	63.9	0	0	111.6	M104 V324 C326 F331 E332 G333 C339 S340	M104-M336 HydrophobicContact CB-CE 3.98Å; M104-M336 HydrophobicContact CB-CG 4.49Å; M104-M336 HydrophobicContact CB-SD 3.85Å; M104-M336 HydrophobicContact CE-CE 3.46Å; M104-M336 VanDerWaalsContact CE-CE 3.46Å; V324-M336 HydrophobicContact CG1-CG 4.26Å; V324-M336 HydrophobicContact CG1-SD 4.41Å; C326-M336 HydrophobicContact CB-SD 4.07Å; C326-M336 VanDerWaalsContact SG-CG 3.56Å; C326-M336 PolarHBondContact SG-SD 2.88Å; F331-M336 HydrophobicContact CE2-CB 4.24Å; E332-M336 PolarHBondContact O-N 3.35Å; G333-M336 WeakPolarHBondContact O-CB 3.45Å; G333-M336 PolarHBondContact O-N 2.85Å; M336-C339 PolarHBondContact O-N 3.24Å; M336-S340 WeakPolarHBondContact O-CB 3.32Å; M336-S340 PolarHBondContact O-N 3.39Å; M336-S340 PolarHBondContact O-OG 3.46Å
337	V	96.9	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-48.9	177.4	168.8	0	0	0	0	111.2	M104 G333 I334 V335 C339 S340 E341 V546 T548	M104-V337 HydrophobicContact CE-CG2 3.48Å; M104-V337 VanDerWaalsContact CE-CG2 3.48Å; G333-V337 WeakPolarHBondContact O-CG2 3.44Å; G333-V337 PolarHBondContact O-N 2.95Å; I334-V337 PolarHBondContact O-N 3.02Å; V335-V337 VanDerWaalsContact C-N 3.34Å; V335-V337 PolarHBondContact O-N 3.43Å; V337-C339 VanDerWaalsContact C-N 3.32Å; V337-C339 PolarHBondContact O-N 3.3Å; V337-S340 PolarHBondContact O-N 2.94Å; V337-E341 HydrophobicContact CG1-CG 4.12Å; V337-E341 WeakPolarHBondContact O-CB 3.44Å; V337-E341 WeakPolarHBondContact O-CG 3.12Å; V337-E341 PolarHBondContact O-N 3.33Å; V337-V546 HydrophobicContact CG2-CG1 3.36Å; V337-T548 HydrophobicContact CG1-CG2 4.19Å; V337-T548 HydrophobicContact CG2-CG2 4.29Å
338	Q	97	Very high	95.4	Very high	45 Å²	45	25.5 Å²	25.5	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-41	-178.2	-68.2	-48.4	-60	0	0	111.9	Y159 I334 V335 F342	Y159-Q338 HydrophobicContact CE1-CB 4.03Å; Y159-Q338 WeakPolarHBondContact OH-CB 3.42Å; Y159-Q338 WeakPolarHBondContact OH-CG 3.22Å; I334-Q338 WeakPolarHBondContact O-CG 3.42Å; I334-Q338 PolarHBondContact O-N 3.31Å; V335-Q338 PolarHBondContact O-N 3.25Å; Q338-F342 WeakPolarHBondContact O-CB 3.47Å; Q338-F342 PolarHBondContact O-N 3.12Å; Q338-F342 VanDerWaalsContact O-N 3.09Å
339	C	97.8	Very high	94.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-51.5	173.3	-176.7	0	0	0	0	111.2	Y131 L162 V335 M336 V337 E341 F342 L343	Y131-C339 HydrophobicContact CD1-CB 4.21Å; Y131-C339 VanDerWaalsContact CD1-SG 3.58Å; Y131-C339 HydrophobicContact CE1-CB 3.65Å; L162-C339 HydrophobicContact CD1-CB 4.16Å; V335-C339 PolarHBondContact O-N 3.04Å; V335-C339 VanDerWaalsContact O-N 3.16Å; M336-C339 PolarHBondContact O-N 3.24Å; V337-C339 VanDerWaalsContact C-N 3.32Å; V337-C339 PolarHBondContact O-N 3.3Å; C339-E341 VanDerWaalsContact C-N 3.34Å; C339-E341 PolarHBondContact O-N 2.9Å; C339-F342 WeakPolarHBondContact O-CB 3.47Å; C339-F342 PolarHBondContact O-N 2.93Å; C339-L343 VanDerWaalsContact O-CG 3.32Å; C339-L343 WeakPolarHBondContact O-CG 3.26Å; C339-L343 PolarHBondContact O-N 3.37Å
340	S	97.8	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-42.2	-178.5	-58.7	0	0	0	0	112.4	M336 V337 L343 M344	M336-S340 WeakPolarHBondContact O-CB 3.32Å; M336-S340 PolarHBondContact O-N 3.39Å; M336-S340 PolarHBondContact O-OG 3.46Å; V337-S340 PolarHBondContact O-N 2.94Å; S340-L343 PolarHBondContact O-N 3.32Å; S340-M344 WeakPolarHBondContact O-CG 3.46Å; S340-M344 PolarHBondContact O-N 3.26Å
341	E	96.8	Very high	91	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-40.6	176.7	-75.9	-165	173.3	0	0	112.7	V337 C339 L343 M344 K345 T549 V550 M552	V337-E341 HydrophobicContact CG1-CG 4.12Å; V337-E341 WeakPolarHBondContact O-CB 3.44Å; V337-E341 WeakPolarHBondContact O-CG 3.12Å; V337-E341 PolarHBondContact O-N 3.33Å; C339-E341 VanDerWaalsContact C-N 3.34Å; C339-E341 PolarHBondContact O-N 2.9Å; E341-L343 VanDerWaalsContact C-N 3.3Å; E341-L343 PolarHBondContact O-N 2.88Å; E341-M344 PolarHBondContact O-N 3.41Å; E341-K345 VanDerWaalsContact O-CB 3.25Å; E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 WeakPolarHBondContact O-CD 3.33Å; E341-K345 WeakPolarHBondContact O-CG 3.32Å; E341-K345 PolarHBondContact O-N 3.28Å; E341-K345 IonicContact OE2-NZ 2.82Å; E341-K345 PolarHBondContact OE2-NZ 2.67Å; E341-T549 WeakPolarHBondContact OE1-CB 3.47Å; E341-T549 PolarHBondContact OE1-N 3.46Å; E341-T549 PolarHBondContact OE1-OG1 2.94Å; E341-T549 PolarHBondContact OE2-OG1 3.12Å; E341-V550 HydrophobicContact CB-CG2 4.48Å; E341-V550 HydrophobicContact CG-CG2 4.12Å; E341-M552 HydrophobicContact CG-CE 3.73Å
342	F	96.8	Very high	88.9	Confident	62 Å²	62	36.6 Å²	36.6	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-48.8	174.9	174.4	-87.2	0	0	0	110.2	E130 Y131 L134 Q338 C339 K345 R346	E130-F342 HydrophobicContact CB-CE1 4.49Å; Y131-F342 HydrophobicContact CD2-CB 3.89Å; Y131-F342 AromaticContact CD2-CD1 3.38Å; Y131-F342 HydrophobicContact CD2-CD1 3.38Å; Y131-F342 AromaticContact CD2-CD2 3.86Å; Y131-F342 HydrophobicContact CD2-CD2 3.86Å; Y131-F342 AromaticContact CD2-CE1 3.81Å; Y131-F342 HydrophobicContact CD2-CE1 3.81Å; Y131-F342 HydrophobicContact CD2-CE2 4.23Å; Y131-F342 AromaticContact CD2-CG 3.42Å; Y131-F342 HydrophobicContact CD2-CG 3.42Å; Y131-F342 VanDerWaalsContact CD2-CG 3.42Å; Y131-F342 HydrophobicContact CD2-CZ 4.21Å; Y131-F342 HydrophobicContact CE2-CB 3.9Å; Y131-F342 HydrophobicContact CE2-CD1 4.25Å; Y131-F342 HydrophobicContact CE2-CD2 4.2Å; Y131-F342 AromaticContact CE2-CG 3.86Å; Y131-F342 HydrophobicContact CE2-CG 3.86Å; Y131-F342 AromaticContact CG-CD1 3.91Å; Y131-F342 HydrophobicContact CG-CD1 3.91Å; Y131-F342 HydrophobicContact CG-CE1 4.23Å; Y131-F342 HydrophobicContact CG-CG 4.36Å; L134-F342 HydrophobicContact CD1-CE2 3.92Å; L134-F342 HydrophobicContact CD1-CZ 4.03Å; Q338-F342 WeakPolarHBondContact O-CB 3.47Å; Q338-F342 PolarHBondContact O-N 3.12Å; Q338-F342 VanDerWaalsContact O-N 3.09Å; C339-F342 WeakPolarHBondContact O-CB 3.47Å; C339-F342 PolarHBondContact O-N 2.93Å; F342-K345 PolarHBondContact O-N 3.32Å; F342-R346 VanDerWaalsContact O-CB 3.27Å; F342-R346 WeakPolarHBondContact O-CB 3.24Å; F342-R346 PolarHBondContact O-N 2.96Å
343	L	96.7	Very high	86.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-49.3	178.9	-62.4	174.5	0	0	0	111.4	G127 V128 F314 C339 S340 E341 K345 R346 I347	G127-L343 WeakPolarHBondContact O-CD2 3.39Å; V128-L343 HydrophobicContact CG2-CD1 3.93Å; V128-L343 HydrophobicContact CG2-CD2 3.96Å; V128-L343 VanDerWaalsContact N-CD2 3.32Å; F314-L343 HydrophobicContact CD1-CD1 4.42Å; F314-L343 HydrophobicContact CE1-CD1 3.44Å; F314-L343 VanDerWaalsContact CE1-CD1 3.44Å; F314-L343 HydrophobicContact CZ-CD1 3.64Å; C339-L343 VanDerWaalsContact O-CG 3.32Å; C339-L343 WeakPolarHBondContact O-CG 3.26Å; C339-L343 PolarHBondContact O-N 3.37Å; S340-L343 PolarHBondContact O-N 3.32Å; E341-L343 VanDerWaalsContact C-N 3.3Å; E341-L343 PolarHBondContact O-N 2.88Å; L343-K345 PolarHBondContact O-N 3.42Å; L343-R346 WeakPolarHBondContact O-CB 3.47Å; L343-R346 PolarHBondContact O-N 3.41Å; L343-I347 WeakPolarHBondContact O-CB 3.4Å; L343-I347 WeakPolarHBondContact O-CD1 3.47Å; L343-I347 VanDerWaalsContact O-CG1 3.22Å; L343-I347 WeakPolarHBondContact O-CG1 3.43Å; L343-I347 PolarHBondContact O-N 3.16Å
344	M	95.3	Very high	84.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-37.4	-178.8	-69.5	-50.4	-54.1	0	0	112.9	F106 P107 F120 S340 E341 I347 T348 V550 M552	F106-M344 HydrophobicContact CB-SD 4.19Å; F106-M344 HydrophobicContact CD1-CG 4.47Å; F106-M344 HydrophobicContact CD2-CG 4.46Å; F106-M344 HydrophobicContact CD2-SD 3.61Å; F106-M344 HydrophobicContact CE2-SD 4.1Å; F106-M344 HydrophobicContact CG-CG 4.33Å; F106-M344 HydrophobicContact CG-SD 3.88Å; P107-M344 HydrophobicContact CG-CE 4.28Å; F120-M344 HydrophobicContact CZ-CE 4.48Å; F120-M344 HydrophobicContact CZ-SD 4.32Å; S340-M344 WeakPolarHBondContact O-CG 3.46Å; S340-M344 PolarHBondContact O-N 3.26Å; E341-M344 PolarHBondContact O-N 3.41Å; M344-I347 PolarHBondContact O-N 2.93Å; M344-I347 HydrophobicContact SD-CD1 4.38Å; M344-T348 WeakPolarHBondContact O-CB 3.21Å; M344-T348 WeakPolarHBondContact O-CG2 3.44Å; M344-T348 PolarHBondContact O-N 2.81Å; M344-T348 PolarHBondContact O-OG1 3.45Å; M344-V550 HydrophobicContact CB-CG1 4.15Å; M344-M552 HydrophobicContact CB-SD 4.49Å; M344-M552 HydrophobicContact CG-SD 3.68Å
345	K	94.3	Very high	82.4	Confident	100 Å²	100	52.9 Å²	52.9	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-38.4	173.9	-73.2	166.2	-179.3	160.9	0	111.3	E341 F342 L343 T348 G349 T549 V550	E341-K345 VanDerWaalsContact O-CB 3.25Å; E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 WeakPolarHBondContact O-CD 3.33Å; E341-K345 WeakPolarHBondContact O-CG 3.32Å; E341-K345 PolarHBondContact O-N 3.28Å; E341-K345 IonicContact OE2-NZ 2.82Å; E341-K345 PolarHBondContact OE2-NZ 2.67Å; F342-K345 PolarHBondContact O-N 3.32Å; L343-K345 PolarHBondContact O-N 3.42Å; K345-T348 PolarHBondContact O-OG1 2.77Å; K345-G349 WeakPolarHBondContact O-CA 3.35Å; K345-G349 PolarHBondContact O-N 2.93Å; K345-T549 PolarHBondContact NZ-OG1 2.87Å; K345-V550 HydrophobicContact CG-CG2 4.27Å
346	R	91.5	Very high	80.1	Confident	63 Å²	63	59.9 Å²	59.9	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.4	173.9	59.3	174.9	79.1	9.2	111.9	E130 F342 L343 S350	E130-R346 IonicContact OE1-CZ 3.11Å; E130-R346 IonicContact OE1-NE 2.81Å; E130-R346 PolarHBondContact OE1-NE 3.38Å; E130-R346 IonicContact OE1-NH2 3.33Å; E130-R346 PolarHBondContact OE1-NH2 3.49Å; E130-R346 WeakPolarHBondContact OE2-CD 3.39Å; E130-R346 IonicContact OE2-CZ 3.71Å; E130-R346 IonicContact OE2-NE 2.67Å; E130-R346 PolarHBondContact OE2-NE 3.42Å; E130-R346 IonicContact OE2-NH2 3.82Å; F342-R346 VanDerWaalsContact O-CB 3.27Å; F342-R346 WeakPolarHBondContact O-CB 3.24Å; F342-R346 PolarHBondContact O-N 2.96Å; L343-R346 WeakPolarHBondContact O-CB 3.47Å; L343-R346 PolarHBondContact O-N 3.41Å; R346-S350 VanDerWaalsContact NH1-CB 3.25Å; R346-S350 PolarHBondContact NH1-OG 2.97Å; R346-S350 VanDerWaalsContact O-CB 3.31Å; R346-S350 WeakPolarHBondContact O-CB 3.4Å; R346-S350 PolarHBondContact O-N 2.67Å; R346-S350 PolarHBondContact O-OG 3.34Å
347	I	90.1	Very high	77.9	Confident	14 Å²	14	65 Å²	65	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-42.8	-179.8	-67.4	164	0	0	0	111.1	F120 R123 L124 L343 M344	F120-I347 HydrophobicContact CD2-CG2 4.08Å; F120-I347 HydrophobicContact CE2-CD1 4.26Å; F120-I347 HydrophobicContact CE2-CG2 3.82Å; F120-I347 HydrophobicContact CZ-CD1 4.09Å; R123-I347 HydrophobicContact CB-CG1 4.2Å; L124-I347 HydrophobicContact CB-CD1 4.12Å; L343-I347 WeakPolarHBondContact O-CB 3.4Å; L343-I347 WeakPolarHBondContact O-CD1 3.47Å; L343-I347 VanDerWaalsContact O-CG1 3.22Å; L343-I347 WeakPolarHBondContact O-CG1 3.43Å; L343-I347 PolarHBondContact O-N 3.16Å; M344-I347 PolarHBondContact O-N 2.93Å; M344-I347 HydrophobicContact SD-CD1 4.38Å
348	T	85.8	Confident	75.7	Confident	104 Å²	104	70.1 Å²	70.1	64%	0.638	39%	0.393	S	S	*	.	H	α-helix	trans	-79.4	-36.7	-178.8	53.3	0	0	0	0	113.3	M344 K345 S350	M344-T348 WeakPolarHBondContact O-CB 3.21Å; M344-T348 WeakPolarHBondContact O-CG2 3.44Å; M344-T348 PolarHBondContact O-N 2.81Å; M344-T348 PolarHBondContact O-OG1 3.45Å; K345-T348 PolarHBondContact O-OG1 2.77Å; T348-S350 VanDerWaalsContact C-N 3.35Å; T348-S350 PolarHBondContact O-N 2.9Å
349	G	78.4	Confident	73.9	Confident	58 Å²	58	71.6 Å²	71.6	60%	0.598	41%	0.409	S	S	*	.	H	α-helix	trans	-81.6	-7.4	-177	0	0	0	0	0	115.2	K345 P351	K345-G349 WeakPolarHBondContact O-CA 3.35Å; K345-G349 PolarHBondContact O-N 2.93Å; G349-P351 WeakPolarHBondContact O-CD 3.5Å
350	S	68.4	Low	72.5	Confident	41 Å²	41	74.8 Å²	74.8	29%	0.287	43%	0.428	S	S	.	.	S	Bend	trans	-106.3	101.7	176.9	-56	0	0	0	0	109.5	R346 T348 S352	R346-S350 VanDerWaalsContact NH1-CB 3.25Å; R346-S350 PolarHBondContact NH1-OG 2.97Å; R346-S350 VanDerWaalsContact O-CB 3.31Å; R346-S350 WeakPolarHBondContact O-CB 3.4Å; R346-S350 PolarHBondContact O-N 2.67Å; R346-S350 PolarHBondContact O-OG 3.34Å; T348-S350 VanDerWaalsContact C-N 3.35Å; T348-S350 PolarHBondContact O-N 2.9Å; S350-S352 PolarHBondContact O-N 3.06Å
351	P	56.7	Low	71.9	Confident	115 Å²	115	78.2 Å²	78.2	75%	0.747	44%	0.441	S	S	*	.			trans	-56.1	138	167.3	-9.7	20.1	0	0	0	107.9	G349 R353	G349-P351 WeakPolarHBondContact O-CD 3.5Å; P351-R353 PolarHBondContact O-N 2.94Å
352	S	53.7	Low	71.3	Confident	66 Å²	66	83 Å²	83	46%	0.462	48%	0.482	S	S	.	.			trans	-46.1	102.1	172.6	-174.1	0	0	0	0	109.1	R123 S350 T354	R123-S352 PolarHBondContact NH2-OG 3.16Å; R123-S352 VanDerWaalsContact NH2-OG 3.17Å; S350-S352 PolarHBondContact O-N 3.06Å; S352-T354 VanDerWaalsContact C-N 3.33Å; S352-T354 PolarHBondContact O-N 3.36Å
353	R	50.2	Low	71	Confident	222 Å²	222	81.3 Å²	81.3	84%	0.838	48%	0.476	S	S	*	.			trans	-68.6	105.7	163.2	-74.9	-174.4	176.6	-174.3	-0.6	103.5	P351 V355	P351-R353 PolarHBondContact O-N 2.94Å; R353-V355 PolarHBondContact O-N 2.89Å
354	T	45.6	Very low	70.8	Confident	131 Å²	131	85.5 Å²	85.5	80%	0.804	50%	0.503	S	S	*	.			trans	-58.5	91.7	167.3	-42.4	0	0	0	0	105.8	S352 Q356	S352-T354 VanDerWaalsContact C-N 3.33Å; S352-T354 PolarHBondContact O-N 3.36Å; T354-Q356 PolarHBondContact O-N 3.39Å; T354-Q356 VanDerWaalsContact O-N 3.12Å
355	V	48.2	Very low	70.7	Confident	77 Å²	77	89.3 Å²	89.3	47%	0.467	53%	0.528	S	S	.	.			trans	-64.8	117.6	176.7	179.9	0	0	0	0	104.7	R353	R353-V355 PolarHBondContact O-N 2.89Å
356	Q	48.4	Very low	70.9	Confident	147 Å²	147	84.9 Å²	84.9	69%	0.687	51%	0.51	S	S	*	.			trans	-46.6	131.3	168.8	-79.5	-86.8	-4.8	0	0	108	T354 S358	T354-Q356 PolarHBondContact O-N 3.39Å; T354-Q356 VanDerWaalsContact O-N 3.12Å; Q356-S358 PolarHBondContact O-N 3.27Å
357	P	50.6	Low	71.1	Confident	107 Å²	107	88.8 Å²	88.8	70%	0.695	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-58.8	-5.4	-173	-23.3	31.5	0	0	0	115.7	S359	P357-S359 VanDerWaalsContact C-N 3.34Å; P357-S359 PolarHBondContact O-N 3.1Å
358	S	50.1	Low	71.5	Confident	108 Å²	108	89.5 Å²	89.5	76%	0.755	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-78.5	1.6	-162.9	53.8	0	0	0	0	116.4	Q356	Q356-S358 PolarHBondContact O-N 3.27Å
359	S	59.6	Low	72.1	Confident	76 Å²	76	84.8 Å²	84.8	53%	0.531	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-130.1	25.2	178.5	94.9	0	0	0	0	115.7	P357	P357-S359 VanDerWaalsContact C-N 3.34Å; P357-S359 PolarHBondContact O-N 3.1Å
360	T	68.1	Low	73	Confident	67 Å²	67	87.2 Å²	87.2	41%	0.411	50%	0.496	S	S	.	.			trans	-79.5	123.9	173.2	52.4	0	0	0	0	110.2	A213 E214 L217	A213-T360 HydrophobicContact CB-CG2 4.3Å; E214-T360 HydrophobicContact CG-CG2 4.42Å; L217-T360 HydrophobicContact CD1-CG2 4.15Å
361	R	84.5	Confident	74.5	Confident	72 Å²	72	86.1 Å²	86.1	27%	0.272	49%	0.486	S	S	.	.			trans	-74.1	149.9	175.3	-67	169.6	-73.6	177.7	-6.6	109.8	A205 K208 Q209 E214 L363	A205-R361 PolarHBondContact O-NH1 2.78Å; K208-R361 PolarHBondContact O-NH1 2.92Å; Q209-R361 PolarHBondContact O-NH2 2.86Å; E214-R361 WeakPolarHBondContact OE1-CB 3.39Å; E214-R361 IonicContact OE1-CZ 3.98Å; E214-R361 PolarHBondContact OE1-N 3.21Å; E214-R361 IonicContact OE1-NE 3.78Å; E214-R361 PolarHBondContact OE1-NE 3.3Å; E214-R361 IonicContact OE1-NH2 3.8Å; E214-R361 PolarHBondContact OE1-NH2 3.37Å; E214-R361 IonicContact OE2-CZ 2.75Å; E214-R361 IonicContact OE2-NE 3.62Å; E214-R361 IonicContact OE2-NH2 3.84Å; E214-R361 PolarHBondContact OE2-NH2 3.31Å; R361-L363 HydrophobicContact CB-CD2 4.23Å; R361-L363 HydrophobicContact CB-CG 4.44Å; R361-L363 PolarHBondContact O-N 2.84Å; R361-L363 VanDerWaalsContact O-N 3.14Å
362	A	84.4	Confident	76.4	Confident	110 Å²	110	86.7 Å²	86.7	91%	0.909	48%	0.476	S	S	*	.			trans	-69.5	107.9	166	0	0	0	0	0	108.8
363	L	90.3	Very high	78.5	Confident	26 Å²	26	85.9 Å²	85.9	14%	0.136	47%	0.47	C	S	.	.			trans	-106.7	140.8	-178.9	-62.4	173.4	0	0	0	110.9	A205 L210 E214 Q218 K221 R361	A205-L363 HydrophobicContact CB-CD2 3.74Å; L210-L363 HydrophobicContact CD1-CD1 3.92Å; L210-L363 HydrophobicContact CD2-CD1 3.67Å; L210-L363 HydrophobicContact CD2-CD2 3.94Å; L210-L363 HydrophobicContact CD2-CG 4.48Å; L210-L363 HydrophobicContact CG-CD1 4.43Å; E214-L363 HydrophobicContact CB-CD1 3.82Å; E214-L363 HydrophobicContact CG-CD1 4.05Å; Q218-L363 HydrophobicContact CG-CD1 4.27Å; K221-L363 PolarHBondContact NZ-O 2.83Å; R361-L363 HydrophobicContact CB-CD2 4.23Å; R361-L363 HydrophobicContact CB-CG 4.44Å; R361-L363 PolarHBondContact O-N 2.84Å; R361-L363 VanDerWaalsContact O-N 3.14Å
364	P	92.3	Very high	80.7	Confident	89 Å²	89	79.8 Å²	79.8	58%	0.578	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-59.8	149.2	172.2	27.2	-33.9	0	0	0	110.4	Q218	Q218-P364 PolarHBondContact NE2-O 3.1Å; Q218-P364 PolarHBondContact OE1-O 3.39Å
365	P	94.6	Very high	83.2	Confident	83 Å²	83	78.7 Å²	78.7	54%	0.539	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61.4	146.7	174.9	27	-33.7	0	0	0	110.9	K221	K221-P365 HydrophobicContact CD-CB 4.4Å
366	P	97	Very high	85.6	Confident	7 Å²	7	80 Å²	80	5%	0.045	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-56.4	146.2	173.5	-28.2	40.4	0	0	0	111.8	F199 L200 L201 Q218 I222	F199-P366 HydrophobicContact CB-CB 4.49Å; L200-P366 WeakPolarHBondContact O-CA 3.3Å; L200-P366 WeakPolarHBondContact O-CB 3.37Å; L201-P366 HydrophobicContact CD1-CG 4.28Å; Q218-P366 HydrophobicContact CB-CG 3.91Å; Q218-P366 HydrophobicContact CG-CG 4.49Å; Q218-P366 VanDerWaalsContact NE2-CD 3.27Å; Q218-P366 VanDerWaalsContact NE2-CG 3.34Å; I222-P366 HydrophobicContact CD1-CB 3.74Å; I222-P366 HydrophobicContact CD1-CG 3.75Å; I222-P366 HydrophobicContact CG1-CB 3.62Å; I222-P366 HydrophobicContact CG1-CG 3.71Å
367	R	97	Very high	87.9	Confident	144 Å²	144	73.1 Å²	73.1	54%	0.543	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.8	-175.8	-51.3	-167.9	-43.5	142.8	10.2	110.4	F199 L200	F199-R367 CarbonylContact C-O 3.34Å; F199-R367 VanDerWaalsContact CA-O 3.3Å; F199-R367 WeakPolarHBondContact CA-O 3.5Å; L200-R367 HydrophobicContact CB-CB 4.43Å; L200-R367 PolarHBondContact N-O 3.2Å; L200-R367 PolarHBondContact O-N 3.28Å; L200-R367 VanDerWaalsContact O-N 3.16Å
368	R	98.3	Very high	90.2	Very high	30 Å²	30	71.4 Å²	71.4	11%	0.113	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	168.8	-167.4	-170.4	-61.3	-107.3	0.4	109.3	F199 M225 E231	F199-R368 HydrophobicContact CD1-CB 3.89Å; F199-R368 HydrophobicContact CD1-CG 4.26Å; F199-R368 HydrophobicContact CE1-CB 3.72Å; F199-R368 HydrophobicContact CE1-CG 3.85Å; F199-R368 HydrophobicContact CZ-CG 4.26Å; M225-R368 PolarHBondContact O-NH2 2.9Å; E231-R368 PolarHBondContact O-NH1 2.91Å; E231-R368 IonicContact OE2-CZ 2.81Å; E231-R368 IonicContact OE2-NE 3.96Å; E231-R368 PolarHBondContact OE2-NE 3.41Å; E231-R368 IonicContact OE2-NH2 2.99Å; E231-R368 PolarHBondContact OE2-NH2 3.41Å
369	L	98.4	Very high	92.5	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.026	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71.1	132.3	170.8	-85.6	63.2	0	0	0	108.8	I191 F198 L200 L233 S263 L266 I267	I191-L369 HydrophobicContact CD1-CD1 4.07Å; I191-L369 HydrophobicContact CD1-CD2 4.1Å; F198-L369 HydrophobicContact CB-CB 4.19Å; F198-L369 HydrophobicContact CB-CD2 4.05Å; F198-L369 PolarHBondContact O-N 3.38Å; L200-L369 HydrophobicContact CB-CD1 3.94Å; L233-L369 VanDerWaalsContact CD1-O 3.31Å; L233-L369 WeakPolarHBondContact CD1-O 3.48Å; S263-L369 WeakPolarHBondContact O-CD2 3.45Å; L266-L369 HydrophobicContact CB-CD2 4.49Å; L266-L369 HydrophobicContact CD1-CD1 4.5Å; L266-L369 HydrophobicContact CD1-CG 4.45Å; I267-L369 HydrophobicContact CD1-CD2 3.8Å; I267-L369 HydrophobicContact CG1-CD2 3.58Å
370	L	97.6	Very high	94.4	Very high	109 Å²	109	66.4 Å²	66.4	57%	0.571	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-96.1	145.4	-177	-60.4	-179.1	0	0	0	110.4	S263	S263-L370 WeakPolarHBondContact CB-O 3.28Å; S263-L370 PolarHBondContact OG-N 2.84Å; S263-L370 PolarHBondContact OG-O 3.45Å
371	W	98.1	Very high	95.9	Very high	18 Å²	18	63.6 Å²	63.6	7%	0.068	35%	0.351	C	S	.	.			trans	-137.4	143.5	179.9	-59.6	95	0	0	0	111	L233 F236 L254 N260 L264 I267 W307	L233-W371 HydrophobicContact CD1-CB 4.37Å; F236-W371 HydrophobicContact CB-CD2 4.09Å; F236-W371 HydrophobicContact CB-CE3 4.4Å; F236-W371 HydrophobicContact CB-CG 4.48Å; F236-W371 HydrophobicContact CB-CZ2 4.39Å; F236-W371 HydrophobicContact CD1-CB 4.42Å; F236-W371 AromaticContact CD1-CD2 3.94Å; F236-W371 HydrophobicContact CD1-CD2 3.94Å; F236-W371 AromaticContact CD1-CE3 3.67Å; F236-W371 HydrophobicContact CD1-CE3 3.67Å; F236-W371 HydrophobicContact CD1-CG 4.28Å; F236-W371 HydrophobicContact CD1-CZ3 4.27Å; F236-W371 HydrophobicContact CD2-CB 3.54Å; F236-W371 AromaticContact CD2-CD1 3.81Å; F236-W371 AromaticContact CD2-CD2 3.86Å; F236-W371 HydrophobicContact CD2-CD2 3.86Å; F236-W371 HydrophobicContact CD2-CE3 4.42Å; F236-W371 AromaticContact CD2-CG 3.44Å; F236-W371 HydrophobicContact CD2-CG 3.44Å; F236-W371 VanDerWaalsContact CD2-CG 3.44Å; F236-W371 HydrophobicContact CE1-CB 4.08Å; F236-W371 HydrophobicContact CE1-CD2 4.36Å; F236-W371 HydrophobicContact CE1-CE3 4.02Å; F236-W371 HydrophobicContact CE1-CG 4.42Å; F236-W371 HydrophobicContact CE2-CB 3.18Å; F236-W371 HydrophobicContact CE2-CD2 4.34Å; F236-W371 AromaticContact CE2-CG 3.67Å; F236-W371 HydrophobicContact CE2-CG 3.67Å; F236-W371 HydrophobicContact CG-CB 4.19Å; F236-W371 AromaticContact CG-CD2 3.68Å; F236-W371 HydrophobicContact CG-CD2 3.68Å; F236-W371 AromaticContact CG-CE3 3.91Å; F236-W371 HydrophobicContact CG-CE3 3.91Å; F236-W371 AromaticContact CG-CG 3.81Å; F236-W371 HydrophobicContact CG-CG 3.81Å; F236-W371 HydrophobicContact CZ-CB 3.49Å; F236-W371 VanDerWaalsContact CZ-CB 3.49Å; F236-W371 HydrophobicContact CZ-CG 4.17Å; L254-W371 HydrophobicContact CD1-CZ3 4.3Å; N260-W371 HydrophobicContact CB-CE3 4.25Å; N260-W371 HydrophobicContact CB-CZ3 4.41Å; N260-W371 VanDerWaalsContact OD1-CA 3.27Å; N260-W371 WeakPolarHBondContact OD1-CA 3.47Å; L264-W371 HydrophobicContact CD2-CH2 3.95Å; L264-W371 HydrophobicContact CD2-CZ3 4.25Å; L264-W371 HydrophobicContact CG-CH2 3.98Å; L264-W371 HydrophobicContact CG-CZ3 3.99Å; I267-W371 HydrophobicContact CD1-CH2 4.17Å; I267-W371 HydrophobicContact CD1-CZ2 3.84Å; W307-W371 AromaticContact CH2-CH2 3.99Å; W307-W371 HydrophobicContact CH2-CH2 3.99Å; W307-W371 HydrophobicContact CZ3-CH2 4.24Å; W307-W371 HydrophobicContact CZ3-CZ2 4.4Å
372	K	97.8	Very high	96.5	Very high	126 Å²	126	64.5 Å²	64.5	55%	0.548	36%	0.359	S	S	.	.			trans	-107.1	116.8	171.3	-65.8	-59	-173.5	-178.6	0	109.1	D257 A259 N260	D257-K372 HydrophobicContact CB-CB 4.24Å; D257-K372 VanDerWaalsContact CG-CG 3.49Å; D257-K372 VanDerWaalsContact OD1-CG 3.28Å; D257-K372 WeakPolarHBondContact OD1-CG 3.29Å; D257-K372 WeakPolarHBondContact OD2-CG 3.38Å; A259-K372 HydrophobicContact CB-CG 4.28Å; N260-K372 PolarHBondContact ND2-O 3.27Å; N260-K372 VanDerWaalsContact ND2-O 3.09Å; N260-K372 PolarHBondContact OD1-N 3.13Å
373	C	97.3	Very high	97.2	Very high	50 Å²	50	60.6 Å²	60.6	34%	0.338	33%	0.327	S	S	.	.			trans	-108.5	117.3	177.5	-162.8	0	0	0	0	109.1	P234 F236	P234-C373 HydrophobicContact CG-CB 4.05Å; F236-C373 HydrophobicContact CE2-CB 4.49Å; F236-C373 HydrophobicContact CZ-CB 3.91Å
374	N	96.8	Very high	97.6	Very high	93 Å²	93	59.4 Å²	59.4	50%	0.497	32%	0.321	S	S	.	.			trans	-101.1	175	165.9	66.4	22	0	0	0	109.6	H376 V377 Q378	N374-H376 PolarHBondContact O-N 3.36Å; N374-H376 WeakPolarHBondContact OD1-CB 3.37Å; N374-H376 PolarHBondContact OD1-N 3.11Å; N374-H376 VanDerWaalsContact OD1-N 3.16Å; N374-V377 PolarHBondContact O-N 3.09Å; N374-V377 VanDerWaalsContact O-N 3.17Å; N374-V377 WeakPolarHBondContact OD1-CG2 3.42Å; N374-V377 PolarHBondContact OD1-N 2.98Å; N374-Q378 WeakPolarHBondContact O-CB 3.41Å; N374-Q378 PolarHBondContact O-N 2.82Å
375	S	97.9	Very high	97.9	Very high	108 Å²	108	55.3 Å²	55.3	76%	0.755	29%	0.294	S	S	*	.	H	α-helix	trans	-56.7	-35.2	-178.9	53.3	0	0	0	0	113.6	A379	S375-A379 PolarHBondContact O-N 3.12Å; S375-A379 VanDerWaalsContact O-N 3.1Å
376	H	98.1	Very high	98.1	Very high	105 Å²	105	55.2 Å²	55.2	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-68	-46.5	177.2	178.6	54.3	0	0	0	112.2	N374 Q378 A379 L380	N374-H376 PolarHBondContact O-N 3.36Å; N374-H376 WeakPolarHBondContact OD1-CB 3.37Å; N374-H376 PolarHBondContact OD1-N 3.11Å; N374-H376 VanDerWaalsContact OD1-N 3.16Å; H376-Q378 VanDerWaalsContact C-N 3.31Å; H376-Q378 PolarHBondContact O-N 3.13Å; H376-A379 PolarHBondContact O-N 2.81Å; H376-L380 WeakPolarHBondContact O-CG 3.31Å; H376-L380 PolarHBondContact O-N 2.88Å; H376-L380 VanDerWaalsContact O-N 3.12Å
377	V	98.2	Very high	98.2	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-38.4	176	173.1	0	0	0	0	111	F236 A253 L254 N374 A379 L380 L381	F236-V377 HydrophobicContact CE1-CG1 3.66Å; F236-V377 HydrophobicContact CZ-CG1 4.13Å; A253-V377 HydrophobicContact CB-CG2 4.45Å; L254-V377 HydrophobicContact CD2-CG1 3.7Å; L254-V377 HydrophobicContact CD2-CG2 4.04Å; N374-V377 PolarHBondContact O-N 3.09Å; N374-V377 VanDerWaalsContact O-N 3.17Å; N374-V377 WeakPolarHBondContact OD1-CG2 3.42Å; N374-V377 PolarHBondContact OD1-N 2.98Å; V377-A379 PolarHBondContact O-N 2.91Å; V377-L380 WeakPolarHBondContact O-CB 3.21Å; V377-L380 PolarHBondContact O-N 3.17Å; V377-L381 HydrophobicContact CG1-CD1 4.32Å; V377-L381 WeakPolarHBondContact O-CG 3.11Å; V377-L381 PolarHBondContact O-N 3.31Å
378	Q	98.5	Very high	98.3	Very high	70 Å²	70	51.6 Å²	51.6	33%	0.327	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-45.9	175.5	-176.8	59	34.1	0	0	111.9	N374 H376 L380 L381 E382	N374-Q378 WeakPolarHBondContact O-CB 3.41Å; N374-Q378 PolarHBondContact O-N 2.82Å; H376-Q378 VanDerWaalsContact C-N 3.31Å; H376-Q378 PolarHBondContact O-N 3.13Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.95Å; Q378-L381 WeakPolarHBondContact O-CB 3.43Å; Q378-L381 PolarHBondContact O-N 2.95Å; Q378-E382 PolarHBondContact NE2-OE1 2.83Å; Q378-E382 PolarHBondContact O-N 2.81Å; Q378-E382 VanDerWaalsContact O-N 3.09Å
379	A	98.6	Very high	98.3	Very high	51 Å²	51	52.4 Å²	52.4	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-35.5	176.2	0	0	0	0	0	112.5	S375 H376 V377 A383	S375-A379 PolarHBondContact O-N 3.12Å; S375-A379 VanDerWaalsContact O-N 3.1Å; H376-A379 PolarHBondContact O-N 2.81Å; V377-A379 PolarHBondContact O-N 2.91Å; A379-A383 WeakPolarHBondContact O-CB 3.41Å; A379-A383 PolarHBondContact O-N 3.16Å
380	L	98.6	Very high	98.3	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-42.9	174.5	-68.3	166.9	0	0	0	111.6	L239 A250 A253 H376 V377 Q378 E382 A383 S384	L239-L380 HydrophobicContact CD2-CB 4.07Å; A250-L380 HydrophobicContact CB-CB 4.4Å; A250-L380 HydrophobicContact CB-CD1 3.88Å; A250-L380 HydrophobicContact CB-CD2 4.45Å; A250-L380 HydrophobicContact CB-CG 4.49Å; A253-L380 HydrophobicContact CB-CD1 4.24Å; H376-L380 WeakPolarHBondContact O-CG 3.31Å; H376-L380 PolarHBondContact O-N 2.88Å; H376-L380 VanDerWaalsContact O-N 3.12Å; V377-L380 WeakPolarHBondContact O-CB 3.21Å; V377-L380 PolarHBondContact O-N 3.17Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.95Å; L380-E382 VanDerWaalsContact C-N 3.34Å; L380-E382 PolarHBondContact O-N 3.09Å; L380-A383 PolarHBondContact O-N 3.11Å; L380-S384 WeakPolarHBondContact O-CB 3.29Å; L380-S384 PolarHBondContact O-N 3.45Å; L380-S384 PolarHBondContact O-OG 3.3Å; L380-S384 VanDerWaalsContact O-OG 3.09Å
381	L	98.8	Very high	98.3	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-45.5	176.2	-70.2	166.6	0	0	0	111.8	P234 I238 L239 V377 Q378 G385	P234-L381 HydrophobicContact CB-CD1 3.63Å; I238-L381 HydrophobicContact CG2-CB 4.35Å; I238-L381 HydrophobicContact CG2-CD2 3.56Å; L239-L381 HydrophobicContact CD1-CD2 3.84Å; L239-L381 HydrophobicContact CD2-CD2 3.73Å; L239-L381 HydrophobicContact CD2-CG 4.1Å; L239-L381 HydrophobicContact CG-CD2 3.56Å; L239-L381 HydrophobicContact CG-CG 4.39Å; V377-L381 HydrophobicContact CG1-CD1 4.32Å; V377-L381 WeakPolarHBondContact O-CG 3.11Å; V377-L381 PolarHBondContact O-N 3.31Å; Q378-L381 WeakPolarHBondContact O-CB 3.43Å; Q378-L381 PolarHBondContact O-N 2.95Å; L381-G385 PolarHBondContact O-N 3.35Å
382	E	98.5	Very high	98.3	Very high	91 Å²	91	55.8 Å²	55.8	43%	0.425	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-48.3	177.7	-72.8	167.1	-163.7	0	0	111.3	Q378 L380 S384 G385 D386	Q378-E382 PolarHBondContact NE2-OE1 2.83Å; Q378-E382 PolarHBondContact O-N 2.81Å; Q378-E382 VanDerWaalsContact O-N 3.09Å; L380-E382 VanDerWaalsContact C-N 3.34Å; L380-E382 PolarHBondContact O-N 3.09Å; E382-S384 PolarHBondContact O-N 3.13Å; E382-G385 PolarHBondContact O-N 2.93Å; E382-G385 VanDerWaalsContact O-N 3.14Å; E382-D386 PolarHBondContact O-N 3.48Å
383	A	98.7	Very high	98.4	Very high	29 Å²	29	54.9 Å²	54.9	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-40	179.7	0	0	0	0	0	112.9	A379 L380 D386 R387	A379-A383 WeakPolarHBondContact O-CB 3.41Å; A379-A383 PolarHBondContact O-N 3.16Å; L380-A383 PolarHBondContact O-N 3.11Å; A383-D386 PolarHBondContact O-N 3.34Å; A383-R387 PolarHBondContact O-N 3.32Å
384	S	98.9	Very high	98.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-38.9	173.8	-61.8	0	0	0	0	111.6	D242 L380 E382 D386 R387 L388	D242-S384 WeakPolarHBondContact OD2-CA 3.41Å; D242-S384 WeakPolarHBondContact OD2-CB 3.24Å; D242-S384 PolarHBondContact OD2-OG 3.32Å; L380-S384 WeakPolarHBondContact O-CB 3.29Å; L380-S384 PolarHBondContact O-N 3.45Å; L380-S384 PolarHBondContact O-OG 3.3Å; L380-S384 VanDerWaalsContact O-OG 3.09Å; E382-S384 PolarHBondContact O-N 3.13Å; S384-D386 PolarHBondContact O-N 2.72Å; S384-R387 PolarHBondContact O-N 2.77Å; S384-L388 PolarHBondContact O-N 3.2Å
385	G	98.7	Very high	98.5	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-44.1	174	0	0	0	0	0	112.8	L381 E382 L388 Q389	L381-G385 PolarHBondContact O-N 3.35Å; E382-G385 PolarHBondContact O-N 2.93Å; E382-G385 VanDerWaalsContact O-N 3.14Å; G385-L388 PolarHBondContact O-N 2.98Å; G385-Q389 WeakPolarHBondContact O-CB 3.27Å; G385-Q389 PolarHBondContact O-N 2.98Å
386	D	98.6	Very high	98.6	Very high	81 Å²	81	45 Å²	45	43%	0.433	23%	0.225	S	C	.	.	H	α-helix	trans	-69.7	-36.9	178.8	-66	-15.8	0	0	0	112.3	R299 E382 A383 S384 Q389 R390	R299-D386 IonicContact CZ-OD1 2.82Å; R299-D386 IonicContact NH1-OD1 2.79Å; R299-D386 PolarHBondContact NH1-OD1 3.44Å; E382-D386 PolarHBondContact O-N 3.48Å; A383-D386 PolarHBondContact O-N 3.34Å; S384-D386 PolarHBondContact O-N 2.72Å; D386-Q389 PolarHBondContact O-N 3.35Å; D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 3.43Å
387	R	98.6	Very high	98.6	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-43.9	173.2	-83.6	-175.3	-67.6	-92.4	3.2	112.1	D242 A383 S384 Q389 R390 L391	D242-R387 WeakPolarHBondContact OD1-CD 3.5Å; D242-R387 IonicContact OD1-CZ 3.48Å; D242-R387 IonicContact OD1-NE 3.56Å; D242-R387 PolarHBondContact OD1-NE 2.99Å; D242-R387 IonicContact OD1-NH2 3.83Å; D242-R387 IonicContact OD2-CZ 2.7Å; D242-R387 IonicContact OD2-NE 3.3Å; D242-R387 PolarHBondContact OD2-NE 2.81Å; D242-R387 IonicContact OD2-NH2 2.67Å; D242-R387 PolarHBondContact OD2-NH2 3.09Å; A383-R387 PolarHBondContact O-N 3.32Å; S384-R387 PolarHBondContact O-N 2.77Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 3.34Å; R387-R390 PolarHBondContact O-N 2.99Å; R387-L391 PolarHBondContact O-N 2.81Å; R387-L391 VanDerWaalsContact O-N 3.1Å
388	L	98.8	Very high	98.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-43.6	174	-179	60.3	0	0	0	111	P97 I238 H295 S384 G385 R390 L391 V392	P97-L388 HydrophobicContact CG-CD1 4.25Å; I238-L388 HydrophobicContact CD1-CB 4.23Å; I238-L388 HydrophobicContact CD1-CD2 3.4Å; I238-L388 HydrophobicContact CD1-CG 4.43Å; H295-L388 HydrophobicContact CB-CD1 4.35Å; S384-L388 PolarHBondContact O-N 3.2Å; G385-L388 PolarHBondContact O-N 2.98Å; L388-R390 VanDerWaalsContact C-N 3.29Å; L388-R390 PolarHBondContact O-N 3.33Å; L388-L391 HydrophobicContact CD1-CD2 4.45Å; L388-L391 WeakPolarHBondContact O-CB 3.43Å; L388-L391 PolarHBondContact O-N 3.47Å; L388-L391 VanDerWaalsContact O-N 3.09Å; L388-V392 HydrophobicContact CD1-CG2 4.29Å; L388-V392 HydrophobicContact CG-CG2 4.28Å; L388-V392 VanDerWaalsContact O-CG2 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.32Å; L388-V392 PolarHBondContact O-N 3.47Å
389	Q	98.6	Very high	98.6	Very high	47 Å²	47	40 Å²	40	22%	0.22	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-38.6	-179.5	-167.1	59.4	50.6	0	0	112.1	G385 D386 R387 V392 N393	G385-Q389 WeakPolarHBondContact O-CB 3.27Å; G385-Q389 PolarHBondContact O-N 2.98Å; D386-Q389 PolarHBondContact O-N 3.35Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 3.34Å; Q389-V392 PolarHBondContact O-N 2.97Å; Q389-N393 PolarHBondContact NE2-OD1 2.96Å; Q389-N393 WeakPolarHBondContact O-CB 3.1Å; Q389-N393 PolarHBondContact O-N 3.48Å; Q389-N393 PolarHBondContact O-ND2 2.85Å; Q389-N393 PolarHBondContact O-OD1 3.17Å
390	R	98.4	Very high	98.4	Very high	156 Å²	156	39.7 Å²	39.7	59%	0.589	19%	0.194	S	C	*	.	H	α-helix	trans	-61	-44.2	172.1	-75.4	-173.6	-75.4	152.1	-15.5	112.1	D386 R387 L388 V392 N393 N394	D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 3.43Å; R387-R390 PolarHBondContact O-N 2.99Å; L388-R390 VanDerWaalsContact C-N 3.29Å; L388-R390 PolarHBondContact O-N 3.33Å; R390-V392 PolarHBondContact O-N 3.49Å; R390-N393 PolarHBondContact O-N 3.06Å; R390-N394 VanDerWaalsContact O-CB 3.29Å; R390-N394 WeakPolarHBondContact O-CB 3.19Å; R390-N394 PolarHBondContact O-N 3.12Å
391	L	98.4	Very high	98.3	Very high	23 Å²	23	40.4 Å²	40.4	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-42.6	177.4	-178.8	62.3	0	0	0	112.2	A95 P97 V98 R387 L388 N394 L395 F582	A95-L391 HydrophobicContact CB-CD2 4.48Å; P97-L391 HydrophobicContact CB-CD2 4.29Å; P97-L391 HydrophobicContact CG-CD2 4.03Å; P97-L391 WeakPolarHBondContact O-CD2 3.41Å; V98-L391 HydrophobicContact CB-CD1 4.1Å; V98-L391 HydrophobicContact CB-CD2 4.13Å; V98-L391 HydrophobicContact CB-CG 4.24Å; V98-L391 HydrophobicContact CG1-CD1 4.32Å; V98-L391 HydrophobicContact CG2-CD1 4.28Å; V98-L391 HydrophobicContact CG2-CD2 3.96Å; V98-L391 HydrophobicContact CG2-CG 3.94Å; R387-L391 PolarHBondContact O-N 2.81Å; R387-L391 VanDerWaalsContact O-N 3.1Å; L388-L391 HydrophobicContact CD1-CD2 4.45Å; L388-L391 WeakPolarHBondContact O-CB 3.43Å; L388-L391 PolarHBondContact O-N 3.47Å; L388-L391 VanDerWaalsContact O-N 3.09Å; L391-N394 PolarHBondContact O-N 3.03Å; L391-L395 PolarHBondContact O-N 3.22Å; L391-L395 VanDerWaalsContact O-N 3.11Å; L391-F582 HydrophobicContact CD1-CE1 4.48Å
392	V	98.4	Very high	98.3	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-45.4	175.4	171.1	0	0	0	0	111.1	H295 L388 Q389 R390 N394	H295-V392 HydrophobicContact CB-CG2 3.95Å; L388-V392 HydrophobicContact CD1-CG2 4.29Å; L388-V392 HydrophobicContact CG-CG2 4.28Å; L388-V392 VanDerWaalsContact O-CG2 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.32Å; L388-V392 PolarHBondContact O-N 3.47Å; Q389-V392 PolarHBondContact O-N 2.97Å; R390-V392 PolarHBondContact O-N 3.49Å; V392-N394 VanDerWaalsContact C-N 3.26Å; V392-N394 PolarHBondContact O-N 3.04Å
393	N	98.4	Very high	98.3	Very high	106 Å²	106	43.2 Å²	43.2	57%	0.567	21%	0.212	S	C	*	.	H	α-helix	trans	-70.1	-24.7	179.9	-65.3	-6.2	0	0	0	112.6	Q389 R390	Q389-N393 PolarHBondContact NE2-OD1 2.96Å; Q389-N393 WeakPolarHBondContact O-CB 3.1Å; Q389-N393 PolarHBondContact O-N 3.48Å; Q389-N393 PolarHBondContact O-ND2 2.85Å; Q389-N393 PolarHBondContact O-OD1 3.17Å; R390-N393 PolarHBondContact O-N 3.06Å
394	N	98.6	Very high	98.3	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-87.5	-24.5	-177.6	-164.1	17.3	0	0	0	113.2	R390 L391 V392 D396 F582 W583 E584	R390-N394 VanDerWaalsContact O-CB 3.29Å; R390-N394 WeakPolarHBondContact O-CB 3.19Å; R390-N394 PolarHBondContact O-N 3.12Å; L391-N394 PolarHBondContact O-N 3.03Å; V392-N394 VanDerWaalsContact C-N 3.26Å; V392-N394 PolarHBondContact O-N 3.04Å; N394-D396 PolarHBondContact O-N 2.75Å; N394-F582 CarbonylContact O-C 3.59Å; N394-F582 VanDerWaalsContact O-CA 3.27Å; N394-F582 WeakPolarHBondContact O-CA 3.43Å; N394-W583 PolarHBondContact O-N 3.3Å; N394-W583 PolarHBondContact OD1-N 3.2Å; N394-E584 PolarHBondContact ND2-OE2 2.89Å; N394-E584 VanDerWaalsContact OD1-CB 3.31Å; N394-E584 WeakPolarHBondContact OD1-CB 3.38Å; N394-E584 VanDerWaalsContact OD1-CG 3.22Å; N394-E584 WeakPolarHBondContact OD1-CG 3.4Å; N394-E584 PolarHBondContact OD1-N 3.25Å
395	L	98.8	Very high	98.2	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	119.2	179.9	-179.8	60.8	0	0	0	111.2	V98 L291 L294 L391 A580 W583	V98-L395 HydrophobicContact CG1-CD1 3.78Å; V98-L395 HydrophobicContact CG1-CD2 4.02Å; V98-L395 HydrophobicContact CG1-CG 4.34Å; V98-L395 HydrophobicContact CG2-CD2 3.87Å; L291-L395 HydrophobicContact CD2-CD2 3.59Å; L291-L395 HydrophobicContact CD2-CG 4.06Å; L294-L395 HydrophobicContact CD1-CD2 4.05Å; L391-L395 PolarHBondContact O-N 3.22Å; L391-L395 VanDerWaalsContact O-N 3.11Å; L395-A580 HydrophobicContact CD1-CB 3.99Å; L395-W583 PolarHBondContact O-NE1 3.26Å
396	D	98.6	Very high	98.2	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125	167	179.7	17.8	0	0	0	108.9	N394 A580 S581 W583 S590	N394-D396 PolarHBondContact O-N 2.75Å; D396-A580 CarbonylContact O-C 3.52Å; D396-A580 VanDerWaalsContact O-CA 3.22Å; D396-A580 WeakPolarHBondContact O-CA 3.42Å; D396-S581 PolarHBondContact N-O 3.35Å; D396-S581 PolarHBondContact O-N 3.1Å; D396-S581 PolarHBondContact OD2-OG 3.48Å; D396-W583 HydrophobicContact CB-CD2 3.95Å; D396-W583 HydrophobicContact CB-CG 4.09Å; D396-W583 HydrophobicContact CB-CZ2 4.06Å; D396-W583 WeakPolarHBondContact OD1-CZ2 3.38Å; D396-S590 PolarHBondContact O-OG 2.99Å; D396-S590 WeakPolarHBondContact OD2-CB 3.36Å; D396-S590 PolarHBondContact OD2-N 3.08Å; D396-S590 PolarHBondContact OD2-OG 3.12Å
397	M	98.3	Very high	98.1	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.8	-177.4	-168.3	175.3	-175.9	0	0	112.2	T287 A290 L291 L294 V399 C555 V579 A580	T287-M397 HydrophobicContact CG2-CB 4.43Å; T287-M397 WeakPolarHBondContact CG2-O 3.48Å; A290-M397 HydrophobicContact CB-CE 3.72Å; A290-M397 HydrophobicContact CB-SD 3.73Å; L291-M397 HydrophobicContact CD2-CB 3.88Å; L291-M397 HydrophobicContact CD2-SD 4.29Å; L291-M397 HydrophobicContact CG-CB 4.5Å; L294-M397 HydrophobicContact CD1-SD 3.8Å; M397-V399 HydrophobicContact CE-CG2 3.59Å; M397-C555 HydrophobicContact CE-CB 3.29Å; M397-V579 CarbonylContact C-O 3.54Å; M397-V579 WeakPolarHBondContact CA-O 3.49Å; M397-V579 WeakPolarHBondContact CG-O 3.31Å; M397-A580 HydrophobicContact CG-CB 4.4Å
398	D	98.4	Very high	98.1	Very high	44 Å²	44	43.9 Å²	43.9	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	117.1	173.6	-167.2	-13.2	0	0	0	109.7	V579 V594	D398-V579 PolarHBondContact N-O 3.28Å; D398-V579 PolarHBondContact O-N 2.9Å; D398-V594 HydrophobicContact CB-CG2 3.92Å
399	V	98.3	Very high	98.1	Very high	16 Å²	16	45.2 Å²	45.2	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.9	172.6	-176.9	0	0	0	0	108.4	D286 T287 A290 M397 F553 V576 F577	D286-V399 HydrophobicContact CB-CB 4.1Å; D286-V399 HydrophobicContact CB-CG1 3.8Å; T287-V399 PolarHBondContact OG1-N 3.24Å; T287-V399 VanDerWaalsContact OG1-N 3.07Å; A290-V399 HydrophobicContact CB-CG2 4.1Å; M397-V399 HydrophobicContact CE-CG2 3.59Å; V399-F553 HydrophobicContact CG1-CD2 4.2Å; V399-F553 HydrophobicContact CG1-CE2 3.86Å; V399-F553 HydrophobicContact CG1-CZ 4.05Å; V399-F553 HydrophobicContact CG2-CE2 3.91Å; V399-F553 HydrophobicContact CG2-CZ 4.43Å; V399-V576 HydrophobicContact CG1-CG1 4.21Å; V399-F577 CarbonylContact C-O 3.48Å; V399-F577 WeakPolarHBondContact CA-O 3.49Å
400	F	94.8	Very high	98	Very high	44 Å²	44	43 Å²	43	19%	0.193	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.9	-171.8	164.3	-107.9	0	0	0	111.3	F402 F577 V594 N598	F400-F402 HydrophobicContact CD1-CB 4.48Å; F400-F402 HydrophobicContact CE1-CB 3.61Å; F400-F402 HydrophobicContact CE1-CD2 4.13Å; F400-F402 HydrophobicContact CE1-CG 4.37Å; F400-F402 HydrophobicContact CZ-CB 3.92Å; F400-F402 HydrophobicContact CZ-CD2 4.01Å; F400-F402 HydrophobicContact CZ-CG 4.49Å; F400-F577 HydrophobicContact CD1-CD2 4.15Å; F400-F577 HydrophobicContact CE1-CD2 4.49Å; F400-F577 PolarHBondContact N-O 2.98Å; F400-F577 PolarHBondContact O-N 2.71Å; F400-V594 HydrophobicContact CB-CG1 3.55Å; F400-V594 HydrophobicContact CB-CG2 4.33Å; F400-V594 HydrophobicContact CD1-CG1 3.95Å; F400-V594 HydrophobicContact CD2-CG1 4.09Å; F400-V594 HydrophobicContact CG-CG1 3.59Å; F400-N598 HydrophobicContact CE1-CB 4.06Å; F400-N598 HydrophobicContact CZ-CB 3.84Å; F400-N598 WeakPolarHBondContact CZ-OD1 3.45Å
401	T	97.9	Very high	97.9	Very high	43 Å²	43	40.4 Å²	40.4	26%	0.264	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.4	173.1	-59.8	0	0	0	0	109.8	E403 H574 V576	T401-E403 HydrophobicContact CG2-CG 3.89Å; T401-E403 PolarHBondContact O-N 3.03Å; T401-H574 HydrophobicContact CG2-CB 4.17Å; T401-V576 HydrophobicContact CG2-CG2 4.4Å
402	F	98.4	Very high	97.9	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	108.9	173	-179	-101.9	0	0	0	110.3	F400 T404 Y405 H574 I575 F577 N598 L601 L602	F400-F402 HydrophobicContact CD1-CB 4.48Å; F400-F402 HydrophobicContact CE1-CB 3.61Å; F400-F402 HydrophobicContact CE1-CD2 4.13Å; F400-F402 HydrophobicContact CE1-CG 4.37Å; F400-F402 HydrophobicContact CZ-CB 3.92Å; F400-F402 HydrophobicContact CZ-CD2 4.01Å; F400-F402 HydrophobicContact CZ-CG 4.49Å; F402-T404 VanDerWaalsContact CZ-CB 3.47Å; F402-T404 HydrophobicContact CZ-CG2 4.44Å; F402-Y405 WeakPolarHBondContact CD1-O 3.17Å; F402-Y405 AromaticContact CE1-CD1 3.38Å; F402-Y405 HydrophobicContact CE1-CD1 3.38Å; F402-Y405 AromaticContact CE1-CD2 3.99Å; F402-Y405 HydrophobicContact CE1-CD2 3.99Å; F402-Y405 AromaticContact CE1-CE1 3.25Å; F402-Y405 HydrophobicContact CE1-CE1 3.25Å; F402-Y405 AromaticContact CE1-CE2 3.91Å; F402-Y405 HydrophobicContact CE1-CE2 3.91Å; F402-Y405 AromaticContact CE1-CG 3.74Å; F402-Y405 HydrophobicContact CE1-CG 3.74Å; F402-Y405 AromaticContact CE1-CZ 3.55Å; F402-Y405 AromaticContact CZ-CD1 3.64Å; F402-Y405 HydrophobicContact CZ-CD1 3.64Å; F402-Y405 AromaticContact CZ-CE1 3.26Å; F402-Y405 HydrophobicContact CZ-CE1 3.26Å; F402-Y405 HydrophobicContact CZ-CG 4.45Å; F402-Y405 AromaticContact CZ-CZ 3.85Å; F402-H574 CarbonylContact O-C 3.56Å; F402-H574 WeakPolarHBondContact O-CA 3.41Å; F402-H574 WeakPolarHBondContact O-CB 3.5Å; F402-I575 HydrophobicContact CB-CB 4.38Å; F402-I575 WeakPolarHBondContact CB-O 3.4Å; F402-I575 HydrophobicContact CD1-CD1 4.34Å; F402-I575 PolarHBondContact N-O 3.09Å; F402-I575 PolarHBondContact O-N 3.02Å; F402-F577 HydrophobicContact CB-CD2 4.49Å; F402-F577 HydrophobicContact CB-CE2 4.23Å; F402-N598 WeakPolarHBondContact CD2-OD1 3.42Å; F402-L601 HydrophobicContact CB-CD1 4.38Å; F402-L601 HydrophobicContact CD1-CD1 4.28Å; F402-L601 HydrophobicContact CD2-CB 4.28Å; F402-L601 HydrophobicContact CD2-CD1 3.92Å; F402-L601 HydrophobicContact CE1-CB 4.41Å; F402-L601 HydrophobicContact CE2-CB 3.79Å; F402-L601 HydrophobicContact CE2-CD1 4.28Å; F402-L601 HydrophobicContact CG-CD1 3.92Å; F402-L601 HydrophobicContact CZ-CB 3.85Å; F402-L602 HydrophobicContact CE2-CD2 4.09Å; F402-L602 HydrophobicContact CE2-CG 4.14Å; F402-L602 HydrophobicContact CZ-CD2 4.21Å
403	E	97.8	Very high	97.7	Very high	156 Å²	156	48.4 Å²	48.4	73%	0.729	24%	0.235	S	C	*	.			trans	-99.5	-7.6	-170	-63.5	-173.9	154.9	0	0	115.1	T401 Y405	T401-E403 HydrophobicContact CG2-CG 3.89Å; T401-E403 PolarHBondContact O-N 3.03Å; E403-Y405 PolarHBondContact O-N 2.97Å
404	T	98.2	Very high	97.6	Very high	71 Å²	71	52.8 Å²	52.8	44%	0.436	25%	0.249	S	C	.	.	S	Bend	trans	-69	-36.5	-174.2	-47.9	0	0	0	0	112.7	F402 L602	F402-T404 VanDerWaalsContact CZ-CB 3.47Å; F402-T404 HydrophobicContact CZ-CG2 4.44Å; T404-L602 HydrophobicContact CG2-CD2 3.9Å
405	Y	98.3	Very high	97.5	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.039	25%	0.248	C	C	.	.			trans	-159.3	169.6	174.6	62.9	-94.3	0	0	0	111.4	F402 E403 F409 I410 F420 H573 H574 L601 W605	F402-Y405 WeakPolarHBondContact CD1-O 3.17Å; F402-Y405 AromaticContact CE1-CD1 3.38Å; F402-Y405 HydrophobicContact CE1-CD1 3.38Å; F402-Y405 AromaticContact CE1-CD2 3.99Å; F402-Y405 HydrophobicContact CE1-CD2 3.99Å; F402-Y405 AromaticContact CE1-CE1 3.25Å; F402-Y405 HydrophobicContact CE1-CE1 3.25Å; F402-Y405 AromaticContact CE1-CE2 3.91Å; F402-Y405 HydrophobicContact CE1-CE2 3.91Å; F402-Y405 AromaticContact CE1-CG 3.74Å; F402-Y405 HydrophobicContact CE1-CG 3.74Å; F402-Y405 AromaticContact CE1-CZ 3.55Å; F402-Y405 AromaticContact CZ-CD1 3.64Å; F402-Y405 HydrophobicContact CZ-CD1 3.64Å; F402-Y405 AromaticContact CZ-CE1 3.26Å; F402-Y405 HydrophobicContact CZ-CE1 3.26Å; F402-Y405 HydrophobicContact CZ-CG 4.45Å; F402-Y405 AromaticContact CZ-CZ 3.85Å; E403-Y405 PolarHBondContact O-N 2.97Å; Y405-F409 HydrophobicContact CD1-CD1 4.4Å; Y405-F409 HydrophobicContact CD2-CB 4.14Å; Y405-F409 AromaticContact CD2-CD1 3.65Å; Y405-F409 HydrophobicContact CD2-CD1 3.65Å; Y405-F409 HydrophobicContact CD2-CG 4.21Å; Y405-F409 HydrophobicContact CE2-CD1 4.04Å; Y405-F409 HydrophobicContact CG-CB 4.17Å; Y405-F409 AromaticContact CG-CD1 3.86Å; Y405-F409 HydrophobicContact CG-CD1 3.86Å; Y405-F409 HydrophobicContact CG-CG 4.14Å; Y405-I410 HydrophobicContact CD2-CG1 4.25Å; Y405-I410 HydrophobicContact CE2-CD1 4.25Å; Y405-I410 HydrophobicContact CE2-CG1 4.06Å; Y405-F420 HydrophobicContact CE2-CE1 4.01Å; Y405-F420 HydrophobicContact CE2-CZ 4.34Å; Y405-F420 WeakPolarHBondContact OH-CE1 3.3Å; Y405-H573 VanDerWaalsContact C-C 3.49Å; Y405-H573 CarbonylContact C-O 3.55Å; Y405-H574 WeakPolarHBondContact O-CA 3.19Å; Y405-L601 WeakPolarHBondContact OH-CD2 3.44Å; Y405-L601 PolarHBondContact OH-O 3.3Å; Y405-W605 HydrophobicContact CD1-CB 4Å; Y405-W605 AromaticContact CD1-CD1 3.3Å; Y405-W605 AromaticContact CD1-CG 3.74Å; Y405-W605 HydrophobicContact CD1-CG 3.74Å; Y405-W605 AromaticContact CD1-NE1 3.98Å; Y405-W605 HydrophobicContact CE1-CB 3.41Å; Y405-W605 VanDerWaalsContact CE1-CB 3.41Å; Y405-W605 AromaticContact CE1-CD1 3.64Å; Y405-W605 AromaticContact CE1-CG 3.69Å; Y405-W605 HydrophobicContact CE1-CG 3.69Å
406	G	97.9	Very high	97.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.01	26%	0.255	C	S	.	.			trans	-136.3	-158.1	173.2	0	0	0	0	0	112.7	E408 F409 I410 Q571 P572	G406-E408 PolarHBondContact O-N 3.26Å; G406-E408 VanDerWaalsContact O-N 3.09Å; G406-F409 PolarHBondContact O-N 3.42Å; G406-F409 VanDerWaalsContact O-N 3.13Å; G406-I410 PolarHBondContact O-N 2.99Å; G406-Q571 WeakPolarHBondContact CA-O 3.48Å; G406-P572 CarbonylContact C-O 3.57Å; G406-P572 WeakPolarHBondContact CA-O 3.3Å
407	K	97	Very high	97.3	Very high	52 Å²	52	53.9 Å²	53.9	23%	0.226	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-25.3	-174.9	69.8	-168.5	165.4	-153	0	114.1	I410 K411 P417 P570 Q571 P572	K407-I410 PolarHBondContact O-N 2.75Å; K407-K411 WeakPolarHBondContact O-CB 3.34Å; K407-K411 VanDerWaalsContact O-CG 3.24Å; K407-K411 WeakPolarHBondContact O-CG 3.45Å; K407-K411 PolarHBondContact O-N 2.97Å; K407-P417 HydrophobicContact CB-CB 3.85Å; K407-P417 HydrophobicContact CB-CG 3.79Å; K407-P570 HydrophobicContact CB-CB 4.47Å; K407-P570 PolarHBondContact NZ-O 2.85Å; K407-P570 VanDerWaalsContact NZ-O 3.1Å; K407-Q571 WeakPolarHBondContact CG-O 3.3Å; K407-Q571 PolarHBondContact N-O 2.74Å; K407-P572 PolarHBondContact N-O 2.78Å
408	E	97.7	Very high	97.3	Very high	68 Å²	68	54 Å²	54	32%	0.318	26%	0.26	S	S	.	.	H	α-helix	trans	-70.6	-34.9	179.4	-66.5	-53.1	123.7	0	0	112.4	G406 K411 K412 P572	G406-E408 PolarHBondContact O-N 3.26Å; G406-E408 VanDerWaalsContact O-N 3.09Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 PolarHBondContact OE1-NZ 3.12Å; E408-K412 WeakPolarHBondContact O-CG 3.38Å; E408-K412 PolarHBondContact O-N 3.41Å; E408-P572 WeakPolarHBondContact CB-O 3.29Å; E408-P572 HydrophobicContact CG-CB 3.89Å; E408-P572 PolarHBondContact N-O 3.16Å
409	F	98.1	Very high	97.3	Very high	30 Å²	30	52 Å²	52	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-48.5	170.8	170.7	-97.9	0	0	0	110.8	Y405 G406 K411 K412 Q413 W605 C608	Y405-F409 HydrophobicContact CD1-CD1 4.4Å; Y405-F409 HydrophobicContact CD2-CB 4.14Å; Y405-F409 AromaticContact CD2-CD1 3.65Å; Y405-F409 HydrophobicContact CD2-CD1 3.65Å; Y405-F409 HydrophobicContact CD2-CG 4.21Å; Y405-F409 HydrophobicContact CE2-CD1 4.04Å; Y405-F409 HydrophobicContact CG-CB 4.17Å; Y405-F409 AromaticContact CG-CD1 3.86Å; Y405-F409 HydrophobicContact CG-CD1 3.86Å; Y405-F409 HydrophobicContact CG-CG 4.14Å; G406-F409 PolarHBondContact O-N 3.42Å; G406-F409 VanDerWaalsContact O-N 3.13Å; F409-K411 VanDerWaalsContact C-N 3.31Å; F409-K411 PolarHBondContact O-N 2.91Å; F409-K412 WeakPolarHBondContact O-CB 3.12Å; F409-K412 PolarHBondContact O-N 3.01Å; F409-Q413 HydrophobicContact CE1-CG 4Å; F409-Q413 HydrophobicContact CE2-CG 4.48Å; F409-Q413 VanDerWaalsContact CE2-NE2 3.3Å; F409-Q413 HydrophobicContact CZ-CG 4Å; F409-Q413 PolarHBondContact O-N 2.94Å; F409-W605 AromaticContact CD1-CD1 3.97Å; F409-W605 AromaticContact CE1-CD1 3.49Å; F409-W605 VanDerWaalsContact CE1-CD1 3.49Å; F409-W605 HydrophobicContact CE1-CG 4.37Å; F409-W605 AromaticContact CE2-CD1 3.61Å; F409-W605 AromaticContact CE2-NE1 3.69Å; F409-W605 AromaticContact CZ-CD1 3.28Å; F409-W605 HydrophobicContact CZ-CG 4.17Å; F409-W605 AromaticContact CZ-NE1 3.86Å; F409-C608 HydrophobicContact CE1-CB 4.35Å; F409-C608 HydrophobicContact CZ-CB 3.81Å
410	I	97.9	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-41.8	-176	-56.3	167	0	0	0	111	Y405 G406 K407 K412 Q413 M415 P417 F420 I575	Y405-I410 HydrophobicContact CD2-CG1 4.25Å; Y405-I410 HydrophobicContact CE2-CD1 4.25Å; Y405-I410 HydrophobicContact CE2-CG1 4.06Å; G406-I410 PolarHBondContact O-N 2.99Å; K407-I410 PolarHBondContact O-N 2.75Å; I410-K412 VanDerWaalsContact C-N 3.32Å; I410-K412 PolarHBondContact O-N 3.34Å; I410-Q413 WeakPolarHBondContact O-CA 3.49Å; I410-Q413 WeakPolarHBondContact O-CB 3.15Å; I410-Q413 PolarHBondContact O-N 3.09Å; I410-M415 HydrophobicContact CG2-CB 3.92Å; I410-M415 PolarHBondContact O-N 3.2Å; I410-P417 HydrophobicContact CB-CG 4.48Å; I410-P417 HydrophobicContact CD1-CB 4.24Å; I410-P417 HydrophobicContact CG2-CG 4.49Å; I410-F420 HydrophobicContact CD1-CB 4.36Å; I410-F420 HydrophobicContact CD1-CD1 3.65Å; I410-F420 HydrophobicContact CD1-CE1 4.13Å; I410-F420 HydrophobicContact CD1-CG 4.08Å; I410-F420 HydrophobicContact CG1-CD1 3.97Å; I410-F420 HydrophobicContact CG1-CD2 4.49Å; I410-F420 HydrophobicContact CG1-CE1 4.18Å; I410-F420 HydrophobicContact CG1-CG 4.14Å; I410-F420 HydrophobicContact CG1-CZ 4.49Å; I410-F420 HydrophobicContact CG2-CB 3.6Å; I410-F420 HydrophobicContact CG2-CD1 4.36Å; I410-F420 HydrophobicContact CG2-CD2 3.83Å; I410-F420 HydrophobicContact CG2-CG 3.69Å; I410-I575 HydrophobicContact CD1-CD1 4.4Å
411	K	96.8	Very high	97.5	Very high	101 Å²	101	49.1 Å²	49.1	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-61.8	-36.5	174.8	-73.3	172.2	-173.3	171.4	0	113	K407 E408 F409 Q413 K414 P417	K407-K411 WeakPolarHBondContact O-CB 3.34Å; K407-K411 VanDerWaalsContact O-CG 3.24Å; K407-K411 WeakPolarHBondContact O-CG 3.45Å; K407-K411 PolarHBondContact O-N 2.97Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 PolarHBondContact OE1-NZ 3.12Å; F409-K411 VanDerWaalsContact C-N 3.31Å; F409-K411 PolarHBondContact O-N 2.91Å; K411-Q413 PolarHBondContact O-N 3.35Å; K411-K414 WeakPolarHBondContact O-CA 3.42Å; K411-K414 PolarHBondContact O-N 2.74Å; K411-P417 HydrophobicContact CG-CG 4.01Å
412	K	96.8	Very high	97.6	Very high	166 Å²	166	47 Å²	47	72%	0.722	22%	0.222	S	C	*	.	H	α-helix	trans	-62.5	-28.7	174.8	-72.5	172.9	-178.1	-178.3	0	112.1	E408 F409 I410 K414	E408-K412 WeakPolarHBondContact O-CG 3.38Å; E408-K412 PolarHBondContact O-N 3.41Å; F409-K412 WeakPolarHBondContact O-CB 3.12Å; F409-K412 PolarHBondContact O-N 3.01Å; I410-K412 VanDerWaalsContact C-N 3.32Å; I410-K412 PolarHBondContact O-N 3.34Å; K412-K414 PolarHBondContact O-N 3.11Å
413	Q	95.6	Very high	97.6	Very high	49 Å²	49	47 Å²	47	23%	0.229	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	2.7	171.8	-51.5	-54.3	-33.4	0	0	113.5	F409 I410 K411 M415 C608	F409-Q413 HydrophobicContact CE1-CG 4Å; F409-Q413 HydrophobicContact CE2-CG 4.48Å; F409-Q413 VanDerWaalsContact CE2-NE2 3.3Å; F409-Q413 HydrophobicContact CZ-CG 4Å; F409-Q413 PolarHBondContact O-N 2.94Å; I410-Q413 WeakPolarHBondContact O-CA 3.49Å; I410-Q413 WeakPolarHBondContact O-CB 3.15Å; I410-Q413 PolarHBondContact O-N 3.09Å; K411-Q413 PolarHBondContact O-N 3.35Å; Q413-M415 VanDerWaalsContact C-N 3.28Å; Q413-M415 HydrophobicContact CB-CG 4.41Å; Q413-M415 HydrophobicContact CB-SD 4.38Å; Q413-M415 PolarHBondContact O-N 2.67Å; Q413-C608 HydrophobicContact CG-CB 4.25Å
414	K	95.5	Very high	97.6	Very high	198 Å²	198	39.6 Å²	39.6	86%	0.861	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	36	-175.9	-55	-179.7	179.5	179.9	0	113.1	K411 K412	K411-K414 WeakPolarHBondContact O-CA 3.42Å; K411-K414 PolarHBondContact O-N 2.74Å; K412-K414 PolarHBondContact O-N 3.11Å
415	M	96.3	Very high	97.7	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.079	17%	0.166	C	C	.	.			trans	-115.9	150.4	178.2	-67.5	177.5	-177.9	0	0	110.8	I410 Q413 P417 F420 M483 L486 K487 V490	I410-M415 HydrophobicContact CG2-CB 3.92Å; I410-M415 PolarHBondContact O-N 3.2Å; Q413-M415 VanDerWaalsContact C-N 3.28Å; Q413-M415 HydrophobicContact CB-CG 4.41Å; Q413-M415 HydrophobicContact CB-SD 4.38Å; Q413-M415 PolarHBondContact O-N 2.67Å; M415-P417 WeakPolarHBondContact O-CD 3.34Å; M415-F420 HydrophobicContact SD-CD2 3.87Å; M415-F420 HydrophobicContact SD-CE2 4.38Å; M415-M483 HydrophobicContact CE-SD 4.4Å; M415-L486 HydrophobicContact CE-CD2 4.01Å; M415-L486 HydrophobicContact CE-CG 4.02Å; M415-L486 HydrophobicContact SD-CD2 4.4Å; M415-L486 HydrophobicContact SD-CG 4.43Å; M415-K487 HydrophobicContact CE-CG 3.57Å; M415-V490 HydrophobicContact CB-CG1 4.04Å; M415-V490 HydrophobicContact CG-CG1 4.04Å; M415-V490 HydrophobicContact SD-CG2 4.16Å
416	S	96.5	Very high	97.7	Very high	29 Å²	29	35.7 Å²	35.7	20%	0.203	17%	0.165	C	C	.	.			trans	-68	125.8	169.5	175.7	0	0	0	0	109.1	D418 A419 F420	S416-D418 PolarHBondContact O-N 3.02Å; S416-A419 PolarHBondContact O-N 3.11Å; S416-F420 WeakPolarHBondContact O-CB 3.41Å; S416-F420 PolarHBondContact O-N 2.85Å
417	P	97.8	Very high	97.8	Very high	22 Å²	22	35.7 Å²	35.7	14%	0.143	16%	0.164	C	C	.	.	H	α-helix	trans	-55.5	-40.2	177	-27.9	36.2	0	0	0	113.4	K407 I410 K411 M415 I421	K407-P417 HydrophobicContact CB-CB 3.85Å; K407-P417 HydrophobicContact CB-CG 3.79Å; I410-P417 HydrophobicContact CB-CG 4.48Å; I410-P417 HydrophobicContact CD1-CB 4.24Å; I410-P417 HydrophobicContact CG2-CG 4.49Å; K411-P417 HydrophobicContact CG-CG 4.01Å; M415-P417 WeakPolarHBondContact O-CD 3.34Å; P417-I421 WeakPolarHBondContact O-CD1 3.39Å; P417-I421 VanDerWaalsContact O-CG1 3.23Å; P417-I421 WeakPolarHBondContact O-CG1 3.35Å; P417-I421 PolarHBondContact O-N 3.43Å; P417-I421 VanDerWaalsContact O-N 3.07Å
418	D	98.1	Very high	97.8	Very high	18 Å²	18	33.2 Å²	33.2	10%	0.096	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-52.8	179.9	-179	59.6	0	0	0	111.5	S416 F420 I421 Q422 Q545 Y568	S416-D418 PolarHBondContact O-N 3.02Å; D418-F420 VanDerWaalsContact C-N 3.29Å; D418-F420 PolarHBondContact O-N 3.41Å; D418-I421 PolarHBondContact O-N 3.32Å; D418-I421 VanDerWaalsContact O-N 3.1Å; D418-Q422 PolarHBondContact O-N 2.73Å; D418-Q545 PolarHBondContact OD1-OE1 2.96Å; D418-Y568 WeakPolarHBondContact OD1-CE2 3.4Å; D418-Y568 PolarHBondContact OD1-OH 3.44Å
419	A	98.4	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-39.9	177.6	0	0	0	0	0	112.6	S416 Q422 I423 V490 Q493	S416-A419 PolarHBondContact O-N 3.11Å; A419-Q422 PolarHBondContact O-N 3.16Å; A419-I423 WeakPolarHBondContact O-CG1 3.32Å; A419-I423 PolarHBondContact O-N 3.15Å; A419-V490 HydrophobicContact CB-CG1 4.07Å; A419-Q493 HydrophobicContact CB-CB 3.88Å; A419-Q493 HydrophobicContact CB-CG 3.64Å
420	F	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-44.8	175.9	-179	-78.8	0	0	0	112	Y405 I410 M415 S416 D418 I423 S424 L601 I604	Y405-F420 HydrophobicContact CE2-CE1 4.01Å; Y405-F420 HydrophobicContact CE2-CZ 4.34Å; Y405-F420 WeakPolarHBondContact OH-CE1 3.3Å; I410-F420 HydrophobicContact CD1-CB 4.36Å; I410-F420 HydrophobicContact CD1-CD1 3.65Å; I410-F420 HydrophobicContact CD1-CE1 4.13Å; I410-F420 HydrophobicContact CD1-CG 4.08Å; I410-F420 HydrophobicContact CG1-CD1 3.97Å; I410-F420 HydrophobicContact CG1-CD2 4.49Å; I410-F420 HydrophobicContact CG1-CE1 4.18Å; I410-F420 HydrophobicContact CG1-CG 4.14Å; I410-F420 HydrophobicContact CG1-CZ 4.49Å; I410-F420 HydrophobicContact CG2-CB 3.6Å; I410-F420 HydrophobicContact CG2-CD1 4.36Å; I410-F420 HydrophobicContact CG2-CD2 3.83Å; I410-F420 HydrophobicContact CG2-CG 3.69Å; M415-F420 HydrophobicContact SD-CD2 3.87Å; M415-F420 HydrophobicContact SD-CE2 4.38Å; S416-F420 WeakPolarHBondContact O-CB 3.41Å; S416-F420 PolarHBondContact O-N 2.85Å; D418-F420 VanDerWaalsContact C-N 3.29Å; D418-F420 PolarHBondContact O-N 3.41Å; F420-I423 PolarHBondContact O-N 3.03Å; F420-S424 PolarHBondContact O-N 3.34Å; F420-S424 PolarHBondContact O-OG 2.95Å; F420-L601 HydrophobicContact CE1-CD2 4.1Å; F420-I604 HydrophobicContact CD2-CG2 4.46Å; F420-I604 HydrophobicContact CE1-CG2 4.27Å; F420-I604 HydrophobicContact CE2-CG2 3.38Å; F420-I604 HydrophobicContact CZ-CB 4.07Å; F420-I604 HydrophobicContact CZ-CG2 3.26Å
421	I	98.8	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-42.4	178.4	-69.1	163.9	0	0	0	110.3	P417 D418 I423 S424 L425 Y568 P570 I575 F577	P417-I421 WeakPolarHBondContact O-CD1 3.39Å; P417-I421 VanDerWaalsContact O-CG1 3.23Å; P417-I421 WeakPolarHBondContact O-CG1 3.35Å; P417-I421 PolarHBondContact O-N 3.43Å; P417-I421 VanDerWaalsContact O-N 3.07Å; D418-I421 PolarHBondContact O-N 3.32Å; D418-I421 VanDerWaalsContact O-N 3.1Å; I421-I423 PolarHBondContact O-N 2.8Å; I421-S424 CarbonylContact O-C 3.6Å; I421-S424 WeakPolarHBondContact O-CA 3.35Å; I421-S424 WeakPolarHBondContact O-CB 3.03Å; I421-S424 PolarHBondContact O-N 3.1Å; I421-L425 HydrophobicContact CG2-CD1 4.17Å; I421-L425 HydrophobicContact CG2-CG 4.41Å; I421-L425 WeakPolarHBondContact O-CG 3.32Å; I421-L425 PolarHBondContact O-N 3Å; I421-Y568 HydrophobicContact CB-CD2 4.35Å; I421-Y568 HydrophobicContact CB-CE2 4.19Å; I421-Y568 HydrophobicContact CD1-CD2 3.93Å; I421-Y568 HydrophobicContact CD1-CE2 4.21Å; I421-Y568 HydrophobicContact CG2-CD1 4.1Å; I421-Y568 HydrophobicContact CG2-CD2 3.68Å; I421-Y568 HydrophobicContact CG2-CE1 4.22Å; I421-Y568 HydrophobicContact CG2-CE2 3.81Å; I421-Y568 HydrophobicContact CG2-CG 3.84Å; I421-P570 HydrophobicContact CD1-CB 3.86Å; I421-P570 HydrophobicContact CD1-CG 4.2Å; I421-I575 HydrophobicContact CD1-CD1 3.96Å; I421-I575 HydrophobicContact CD1-CG2 4.11Å; I421-I575 HydrophobicContact CG1-CD1 4.11Å; I421-F577 HydrophobicContact CG2-CE1 3.68Å; I421-F577 HydrophobicContact CG2-CZ 3.93Å
422	Q	98.8	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.2	-46.8	175.2	-76.2	-68.4	-22.5	0	0	112.3	D418 A419 S424 L425 Q426 E441 S458 Q493 T543 Y568	D418-Q422 PolarHBondContact O-N 2.73Å; A419-Q422 PolarHBondContact O-N 3.16Å; Q422-S424 VanDerWaalsContact C-N 3.27Å; Q422-S424 PolarHBondContact O-N 3.38Å; Q422-L425 PolarHBondContact O-N 2.86Å; Q422-Q426 WeakPolarHBondContact O-CG 3.48Å; Q422-Q426 PolarHBondContact O-N 3.1Å; Q422-E441 VanDerWaalsContact CD-OE1 3.31Å; Q422-E441 WeakPolarHBondContact CG-OE1 3.39Å; Q422-E441 WeakPolarHBondContact CG-OE2 3.34Å; Q422-E441 PolarHBondContact NE2-OE1 2.58Å; Q422-S458 VanDerWaalsContact OE1-CB 3.29Å; Q422-S458 PolarHBondContact OE1-OG 3.38Å; Q422-Q493 HydrophobicContact CB-CG 4.08Å; Q422-T543 PolarHBondContact NE2-OG1 3.29Å; Q422-Y568 PolarHBondContact NE2-OH 3.19Å
423	I	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-34.3	175.3	-63	-48.8	0	0	0	111.8	A419 F420 I421 Q426 L427 A463 F466 L486 A489 V490 Q493	A419-I423 WeakPolarHBondContact O-CG1 3.32Å; A419-I423 PolarHBondContact O-N 3.15Å; F420-I423 PolarHBondContact O-N 3.03Å; I421-I423 PolarHBondContact O-N 2.8Å; I423-Q426 PolarHBondContact O-N 2.81Å; I423-L427 PolarHBondContact O-N 3.45Å; I423-A463 HydrophobicContact CD1-CB 3.77Å; I423-F466 HydrophobicContact CG2-CD1 3.33Å; I423-F466 HydrophobicContact CG2-CE1 3.55Å; I423-F466 HydrophobicContact CG2-CG 4.3Å; I423-L486 HydrophobicContact CG2-CD1 4.11Å; I423-A489 HydrophobicContact CD1-CB 3.82Å; I423-A489 HydrophobicContact CG1-CB 4.04Å; I423-A489 HydrophobicContact CG2-CB 4.25Å; I423-V490 HydrophobicContact CG1-CG2 4.19Å; I423-Q493 HydrophobicContact CD1-CB 4.33Å
424	S	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-38.3	175.2	-53.7	0	0	0	0	112.2	F420 I421 Q422 L427 A428 L601 I604	F420-S424 PolarHBondContact O-N 3.34Å; F420-S424 PolarHBondContact O-OG 2.95Å; I421-S424 CarbonylContact O-C 3.6Å; I421-S424 WeakPolarHBondContact O-CA 3.35Å; I421-S424 WeakPolarHBondContact O-CB 3.03Å; I421-S424 PolarHBondContact O-N 3.1Å; Q422-S424 VanDerWaalsContact C-N 3.27Å; Q422-S424 PolarHBondContact O-N 3.38Å; S424-L427 WeakPolarHBondContact O-CB 3.15Å; S424-L427 PolarHBondContact O-N 2.99Å; S424-A428 PolarHBondContact O-N 3.09Å; S424-L601 WeakPolarHBondContact OG-CD2 3.15Å; S424-I604 VanDerWaalsContact OG-CD1 3.31Å; S424-I604 WeakPolarHBondContact OG-CD1 3.49Å
425	L	98.9	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-39	173.3	-70.3	167.5	0	0	0	111.6	I421 Q422 L427 A428 F429 L541 T543 A566 Y568 F577 F593 L597	I421-L425 HydrophobicContact CG2-CD1 4.17Å; I421-L425 HydrophobicContact CG2-CG 4.41Å; I421-L425 WeakPolarHBondContact O-CG 3.32Å; I421-L425 PolarHBondContact O-N 3Å; Q422-L425 PolarHBondContact O-N 2.86Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 2.87Å; L425-A428 PolarHBondContact O-N 3.2Å; L425-F429 WeakPolarHBondContact O-CB 3.27Å; L425-F429 PolarHBondContact O-N 2.97Å; L425-L541 HydrophobicContact CB-CD2 4.43Å; L425-T543 HydrophobicContact CD1-CG2 4.11Å; L425-A566 HydrophobicContact CD2-CB 4.29Å; L425-Y568 HydrophobicContact CD1-CD1 4.08Å; L425-Y568 HydrophobicContact CD1-CE1 3.97Å; L425-F577 HydrophobicContact CD2-CE1 4.42Å; L425-F593 HydrophobicContact CD2-CE1 3.89Å; L425-F593 HydrophobicContact CD2-CZ 4.21Å; L425-L597 HydrophobicContact CD2-CD1 3.96Å; L425-L597 HydrophobicContact CD2-CD2 3.82Å; L425-L597 HydrophobicContact CG-CD1 4.44Å
426	Q	98.9	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-40.2	172.9	-63.5	-55.9	-58.1	0	0	111.6	Q422 I423 Y430 L436 T439 A463 V467	Q422-Q426 WeakPolarHBondContact O-CG 3.48Å; Q422-Q426 PolarHBondContact O-N 3.1Å; I423-Q426 PolarHBondContact O-N 2.81Å; Q426-Y430 WeakPolarHBondContact O-CB 3.45Å; Q426-Y430 PolarHBondContact O-N 3.26Å; Q426-L436 HydrophobicContact CB-CD2 4.07Å; Q426-T439 PolarHBondContact NE2-OG1 3.37Å; Q426-A463 HydrophobicContact CB-CB 4.49Å; Q426-A463 HydrophobicContact CG-CB 4.28Å; Q426-V467 HydrophobicContact CB-CG1 4.15Å
427	L	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-46	175.5	179.1	59.3	0	0	0	111.6	I423 S424 L425 F429 Y430 K431 F466 V467 M470 A471 I604	I423-L427 PolarHBondContact O-N 3.45Å; S424-L427 WeakPolarHBondContact O-CB 3.15Å; S424-L427 PolarHBondContact O-N 2.99Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 2.87Å; L427-F429 PolarHBondContact O-N 3.14Å; L427-Y430 PolarHBondContact O-N 3.35Å; L427-K431 HydrophobicContact CD1-CD 4.39Å; L427-K431 HydrophobicContact CD1-CG 4.33Å; L427-K431 HydrophobicContact CG-CD 4.28Å; L427-K431 WeakPolarHBondContact O-CG 3.26Å; L427-K431 PolarHBondContact O-N 3.2Å; L427-F466 HydrophobicContact CD2-CE1 4.47Å; L427-V467 VanDerWaalsContact CA-CG1 3.49Å; L427-V467 HydrophobicContact CB-CG1 3.91Å; L427-V467 HydrophobicContact CD1-CB 4.03Å; L427-V467 HydrophobicContact CD1-CG1 4.21Å; L427-M470 HydrophobicContact CD1-CB 3.7Å; L427-M470 HydrophobicContact CD1-CG 4.41Å; L427-M470 HydrophobicContact CD2-CB 4.34Å; L427-M470 HydrophobicContact CD2-CG 4.39Å; L427-A471 HydrophobicContact CD1-CB 4.43Å; L427-I604 HydrophobicContact CD2-CD1 3.95Å; L427-I604 HydrophobicContact CD2-CG1 4.1Å
428	A	98.6	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-48	177.4	0	0	0	0	0	111.4	S424 L425 Y430 K431 C432 F593 A596 L597	S424-A428 PolarHBondContact O-N 3.09Å; L425-A428 PolarHBondContact O-N 3.2Å; A428-Y430 PolarHBondContact O-N 3.4Å; A428-K431 PolarHBondContact O-N 2.97Å; A428-C432 PolarHBondContact O-N 2.76Å; A428-C432 VanDerWaalsContact O-N 3.11Å; A428-C432 PolarHBondContact O-SG 2.8Å; A428-F593 HydrophobicContact CB-CE1 4.26Å; A428-F593 HydrophobicContact CB-CE2 4.31Å; A428-F593 HydrophobicContact CB-CZ 4Å; A428-A596 HydrophobicContact CB-CB 4.43Å; A428-L597 HydrophobicContact CB-CB 3.78Å; A428-L597 HydrophobicContact CB-CD1 4.04Å
429	F	98.6	Very high	98	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-44.9	177.3	-166.7	-78.9	0	0	0	111.5	L425 L427 K431 C432 R433 R435 V437 T540 L541 Y564 F593	L425-F429 WeakPolarHBondContact O-CB 3.27Å; L425-F429 PolarHBondContact O-N 2.97Å; L427-F429 PolarHBondContact O-N 3.14Å; F429-K431 PolarHBondContact O-N 2.75Å; F429-C432 PolarHBondContact O-N 3.19Å; F429-C432 VanDerWaalsContact O-N 3.14Å; F429-R433 HydrophobicContact CD1-CB 4.14Å; F429-R433 HydrophobicContact CD1-CG 4.18Å; F429-R433 HydrophobicContact CE1-CB 3.66Å; F429-R433 HydrophobicContact CE1-CG 3.66Å; F429-R433 HydrophobicContact CE2-CG 4.33Å; F429-R433 HydrophobicContact CZ-CB 4.23Å; F429-R433 HydrophobicContact CZ-CG 3.74Å; F429-R433 PolarHBondContact O-N 3.11Å; F429-R435 VanDerWaalsContact CD1-O 3.25Å; F429-R435 WeakPolarHBondContact CD1-O 3.28Å; F429-R435 WeakPolarHBondContact CE1-O 3.37Å; F429-V437 HydrophobicContact CD1-CG1 4.5Å; F429-V437 HydrophobicContact CD1-CG2 3.94Å; F429-V437 HydrophobicContact CD2-CG2 4.13Å; F429-V437 HydrophobicContact CE1-CB 4.07Å; F429-V437 HydrophobicContact CE1-CG1 3.45Å; F429-V437 VanDerWaalsContact CE1-CG1 3.45Å; F429-V437 HydrophobicContact CE1-CG2 3.5Å; F429-V437 HydrophobicContact CE2-CG2 3.7Å; F429-V437 HydrophobicContact CG-CG2 4.26Å; F429-V437 HydrophobicContact CZ-CB 4.06Å; F429-V437 HydrophobicContact CZ-CG1 3.52Å; F429-V437 HydrophobicContact CZ-CG2 3.37Å; F429-T540 HydrophobicContact CE2-CG2 4.07Å; F429-T540 HydrophobicContact CZ-CG2 3.94Å; F429-L541 HydrophobicContact CB-CD2 4.41Å; F429-L541 HydrophobicContact CD2-CB 4.39Å; F429-L541 HydrophobicContact CD2-CD2 4.37Å; F429-Y564 HydrophobicContact CD2-CD2 4.25Å; F429-Y564 HydrophobicContact CD2-CE2 4.38Å; F429-Y564 AromaticContact CE2-CD2 3.96Å; F429-Y564 HydrophobicContact CE2-CD2 3.96Å; F429-Y564 HydrophobicContact CE2-CE2 4.03Å; F429-F593 HydrophobicContact CB-CE2 3.84Å; F429-F593 HydrophobicContact CB-CZ 4.46Å; F429-F593 AromaticContact CD2-CE2 3.87Å; F429-F593 HydrophobicContact CD2-CE2 3.87Å; F429-F593 HydrophobicContact CG-CE2 4.31Å
430	Y	98.3	Very high	98	Very high	28 Å²	28	20.2 Å²	20.2	11%	0.11	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-41.3	178.5	-169.5	-88.3	0	0	0	112.1	Q426 L427 A428 C432 R433 G434 L436 L464 V467 R468 A471	Q426-Y430 WeakPolarHBondContact O-CB 3.45Å; Q426-Y430 PolarHBondContact O-N 3.26Å; L427-Y430 PolarHBondContact O-N 3.35Å; A428-Y430 PolarHBondContact O-N 3.4Å; Y430-C432 VanDerWaalsContact C-N 3.28Å; Y430-C432 PolarHBondContact O-N 3.2Å; Y430-R433 PolarHBondContact O-N 2.94Å; Y430-G434 WeakPolarHBondContact CE2-O 3.42Å; Y430-G434 VanDerWaalsContact O-CA 3.25Å; Y430-G434 WeakPolarHBondContact O-CA 3.37Å; Y430-G434 PolarHBondContact O-N 2.9Å; Y430-L436 HydrophobicContact CD2-CD2 4.19Å; Y430-L436 HydrophobicContact CD2-CG 4.48Å; Y430-L464 HydrophobicContact CD2-CD1 4.39Å; Y430-L464 HydrophobicContact CE2-CD1 4.02Å; Y430-V467 HydrophobicContact CD1-CB 4.39Å; Y430-V467 HydrophobicContact CD1-CG2 4.19Å; Y430-V467 HydrophobicContact CD2-CG2 3.58Å; Y430-V467 HydrophobicContact CE2-CG2 4.16Å; Y430-V467 HydrophobicContact CG-CB 4.05Å; Y430-V467 HydrophobicContact CG-CG2 3.59Å; Y430-R468 HydrophobicContact CE2-CG 4.19Å; Y430-R468 WeakPolarHBondContact OH-CG 3.18Å; Y430-A471 HydrophobicContact CD1-CB 3.86Å; Y430-A471 HydrophobicContact CE1-CB 4.05Å
431	K	97.3	Very high	98.1	Very high	68 Å²	68	20.4 Å²	20.4	30%	0.296	10%	0.102	S	C	.	.	H	α-helix	trans	-60.9	-36.8	174.4	-77.1	173.4	173.1	-96.7	0	112.2	L427 A428 F429 A471 A596 E603	L427-K431 HydrophobicContact CD1-CD 4.39Å; L427-K431 HydrophobicContact CD1-CG 4.33Å; L427-K431 HydrophobicContact CG-CD 4.28Å; L427-K431 WeakPolarHBondContact O-CG 3.26Å; L427-K431 PolarHBondContact O-N 3.2Å; A428-K431 PolarHBondContact O-N 2.97Å; F429-K431 PolarHBondContact O-N 2.75Å; K431-A471 HydrophobicContact CG-CB 4.22Å; K431-A596 HydrophobicContact CB-CB 4.3Å; K431-E603 WeakPolarHBondContact CE-OE2 3.31Å; K431-E603 IonicContact NZ-OE1 3.87Å; K431-E603 PolarHBondContact NZ-OE1 2.88Å; K431-E603 IonicContact NZ-OE2 2.73Å; K431-E603 PolarHBondContact NZ-OE2 3.5Å
432	C	96.1	Very high	98	Very high	36 Å²	36	22.4 Å²	22.4	24%	0.243	12%	0.116	C	C	.	.	H	α-helix	trans	-76.5	-34.4	179.1	-63.4	0	0	0	0	113.4	A428 F429 Y430 A596	A428-C432 PolarHBondContact O-N 2.76Å; A428-C432 VanDerWaalsContact O-N 3.11Å; A428-C432 PolarHBondContact O-SG 2.8Å; F429-C432 PolarHBondContact O-N 3.19Å; F429-C432 VanDerWaalsContact O-N 3.14Å; Y430-C432 VanDerWaalsContact C-N 3.28Å; Y430-C432 PolarHBondContact O-N 3.2Å; C432-A596 VanDerWaalsContact SG-CB 3.54Å
433	R	95.2	Very high	98	Very high	73 Å²	73	22.5 Å²	22.5	28%	0.275	12%	0.118	S	C	.	.	H	α-helix	trans	-126.3	-6.3	-164.3	-56.6	-61.8	-66.1	155.2	8.3	115	F429 Y430 R435 E587	F429-R433 HydrophobicContact CD1-CB 4.14Å; F429-R433 HydrophobicContact CD1-CG 4.18Å; F429-R433 HydrophobicContact CE1-CB 3.66Å; F429-R433 HydrophobicContact CE1-CG 3.66Å; F429-R433 HydrophobicContact CE2-CG 4.33Å; F429-R433 HydrophobicContact CZ-CB 4.23Å; F429-R433 HydrophobicContact CZ-CG 3.74Å; F429-R433 PolarHBondContact O-N 3.11Å; Y430-R433 PolarHBondContact O-N 2.94Å; R433-R435 PolarHBondContact O-N 2.83Å; R433-R435 VanDerWaalsContact O-N 3.16Å; R433-E587 IonicContact CZ-OE1 2.66Å; R433-E587 IonicContact CZ-OE2 2.8Å; R433-E587 PolarHBondContact NH1-O 3.04Å; R433-E587 IonicContact NH2-OE1 3.97Å; R433-E587 PolarHBondContact NH2-OE1 3.26Å; R433-E587 IonicContact NH2-OE2 3.29Å; R433-E587 PolarHBondContact NH2-OE2 3.17Å
434	G	95.3	Very high	97.9	Very high	49 Å²	49	24.3 Å²	24.3	51%	0.505	13%	0.13	S	C	.	.	S	Bend	trans	67.2	9	-179.6	0	0	0	0	0	115.4	Y430	Y430-G434 WeakPolarHBondContact CE2-O 3.42Å; Y430-G434 VanDerWaalsContact O-CA 3.25Å; Y430-G434 WeakPolarHBondContact O-CA 3.37Å; Y430-G434 PolarHBondContact O-N 2.9Å
435	R	96.5	Very high	97.9	Very high	121 Å²	121	24.3 Å²	24.3	46%	0.457	13%	0.13	S	C	.	.	S	Bend	trans	-152.7	159.4	-179.3	66.4	-175.4	179.8	100.4	-2.1	110.8	F429 R433	F429-R435 VanDerWaalsContact CD1-O 3.25Å; F429-R435 WeakPolarHBondContact CD1-O 3.28Å; F429-R435 WeakPolarHBondContact CE1-O 3.37Å; R433-R435 PolarHBondContact O-N 2.83Å; R433-R435 VanDerWaalsContact O-N 3.16Å
436	L	98.3	Very high	97.8	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	13%	0.131	C	C	.	.			trans	-86.1	165.1	164.6	-61.5	-169	0	0	0	110.8	L39 Q426 Y430 A459 A463 L464 V467	L39-L436 HydrophobicContact CD2-CB 4.06Å; Q426-L436 HydrophobicContact CB-CD2 4.07Å; Y430-L436 HydrophobicContact CD2-CD2 4.19Å; Y430-L436 HydrophobicContact CD2-CG 4.48Å; L436-A459 HydrophobicContact CB-CB 4.28Å; L436-A459 HydrophobicContact CD1-CB 4.33Å; L436-A463 HydrophobicContact CD1-CB 4.3Å; L436-L464 HydrophobicContact CD1-CB 3.8Å; L436-L464 HydrophobicContact CD1-CD1 4.21Å; L436-L464 HydrophobicContact CG-CD1 3.98Å; L436-V467 HydrophobicContact CD2-CG2 4.14Å; L436-V467 HydrophobicContact CG-CG2 4.46Å
437	V	98.4	Very high	97.7	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.03	14%	0.135	C	C	.	.			trans	-139.1	164	-178.3	-72.2	0	0	0	0	110.4	F429 T439 A459 T540 L541	F429-V437 HydrophobicContact CD1-CG1 4.5Å; F429-V437 HydrophobicContact CD1-CG2 3.94Å; F429-V437 HydrophobicContact CD2-CG2 4.13Å; F429-V437 HydrophobicContact CE1-CB 4.07Å; F429-V437 HydrophobicContact CE1-CG1 3.45Å; F429-V437 VanDerWaalsContact CE1-CG1 3.45Å; F429-V437 HydrophobicContact CE1-CG2 3.5Å; F429-V437 HydrophobicContact CE2-CG2 3.7Å; F429-V437 HydrophobicContact CG-CG2 4.26Å; F429-V437 HydrophobicContact CZ-CB 4.06Å; F429-V437 HydrophobicContact CZ-CG1 3.52Å; F429-V437 HydrophobicContact CZ-CG2 3.37Å; V437-T439 PolarHBondContact O-N 3.32Å; V437-T439 PolarHBondContact O-OG1 2.89Å; V437-T439 VanDerWaalsContact O-OG1 3.1Å; V437-A459 WeakPolarHBondContact O-CB 3.32Å; V437-T540 HydrophobicContact CB-CG2 4.29Å; V437-T540 HydrophobicContact CG1-CG2 4.16Å; V437-T540 HydrophobicContact CG2-CG2 4.12Å; V437-L541 HydrophobicContact CG2-CB 4.2Å
438	S	98.3	Very high	97.6	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.063	14%	0.139	C	C	.	.			trans	-55.5	120.5	170.4	-167.5	0	0	0	0	109.5	S536 F539 T540 L541	S438-S536 PolarHBondContact OG-O 2.89Å; S438-F539 WeakPolarHBondContact OG-CD1 3.45Å; S438-T540 PolarHBondContact O-N 3Å; S438-L541 PolarHBondContact O-N 3.5Å
439	T	98.9	Very high	97.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.1	-176.9	-59	0	0	0	0	108.8	Q426 V437 L541 T543	Q426-T439 PolarHBondContact NE2-OG1 3.37Å; V437-T439 PolarHBondContact O-N 3.32Å; V437-T439 PolarHBondContact O-OG1 2.89Å; V437-T439 VanDerWaalsContact O-OG1 3.1Å; T439-L541 CarbonylContact C-O 3.5Å; T439-L541 VanDerWaalsContact CA-O 3.24Å; T439-L541 WeakPolarHBondContact CA-O 3.44Å; T439-L541 HydrophobicContact CG2-CB 4.15Å; T439-L541 HydrophobicContact CG2-CD2 4.03Å; T439-L541 HydrophobicContact CG2-CG 4.01Å; T439-L541 WeakPolarHBondContact CG2-O 3.21Å; T439-T543 HydrophobicContact CG2-CG2 4.27Å
440	Y	98.8	Very high	97.4	Very high	23 Å²	23	33.8 Å²	33.8	9%	0.09	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.7	171.4	177.6	-88.9	0	0	0	110.3	V453 N455 F539 L541 T543	Y440-V453 WeakPolarHBondContact OH-CG2 3.4Å; Y440-N455 VanDerWaalsContact CA-OD1 3.29Å; Y440-N455 WeakPolarHBondContact CA-OD1 3.46Å; Y440-N455 HydrophobicContact CD2-CB 3.94Å; Y440-N455 VanDerWaalsContact CD2-OD1 3.24Å; Y440-N455 WeakPolarHBondContact CD2-OD1 3.32Å; Y440-N455 HydrophobicContact CE2-CB 3.94Å; Y440-F539 HydrophobicContact CD2-CD2 4.27Å; Y440-F539 HydrophobicContact CD2-CE1 4.49Å; Y440-F539 HydrophobicContact CD2-CE2 4.03Å; Y440-F539 HydrophobicContact CD2-CZ 4.15Å; Y440-F539 HydrophobicContact CG-CD2 4.45Å; Y440-F539 HydrophobicContact CG-CG 4.48Å; Y440-L541 PolarHBondContact N-O 3.48Å; Y440-T543 PolarHBondContact O-N 2.89Å; Y440-T543 PolarHBondContact O-OG1 2.89Å
441	E	98.8	Very high	97.3	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.9	164.8	168.8	-178.4	-137.1	0	0	109.2	Q422 A443 N455 I456 S458 Q493 T543 Y568	Q422-E441 VanDerWaalsContact CD-OE1 3.31Å; Q422-E441 WeakPolarHBondContact CG-OE1 3.39Å; Q422-E441 WeakPolarHBondContact CG-OE2 3.34Å; Q422-E441 PolarHBondContact NE2-OE1 2.58Å; E441-A443 PolarHBondContact O-N 3.06Å; E441-N455 PolarHBondContact N-OD1 3.08Å; E441-N455 VanDerWaalsContact N-OD1 3.07Å; E441-N455 PolarHBondContact O-OD1 3.48Å; E441-I456 HydrophobicContact CB-CB 3.96Å; E441-I456 HydrophobicContact CG-CB 4.16Å; E441-I456 HydrophobicContact CG-CD1 4.03Å; E441-I456 PolarHBondContact N-O 3.16Å; E441-I456 PolarHBondContact O-N 3.44Å; E441-I456 WeakPolarHBondContact OE2-CB 3.27Å; E441-I456 WeakPolarHBondContact OE2-CD1 3.41Å; E441-I456 VanDerWaalsContact OE2-CG2 3.31Å; E441-I456 WeakPolarHBondContact OE2-CG2 3.1Å; E441-S458 PolarHBondContact OE2-OG 3.42Å; E441-Q493 PolarHBondContact OE2-NE2 3.04Å; E441-T543 WeakPolarHBondContact CA-O 3.35Å; E441-T543 WeakPolarHBondContact CB-OG1 3.44Å; E441-Y568 PolarHBondContact OE1-OH 3.44Å
442	S	98.1	Very high	97.3	Very high	42 Å²	42	29.6 Å²	29.6	29%	0.294	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.1	-179.1	60.5	0	0	0	0	112.6	T543 S544	S442-T543 PolarHBondContact N-O 3.34Å; S442-S544 VanDerWaalsContact OG-CB 3.31Å; S442-S544 WeakPolarHBondContact OG-CB 3.14Å
443	A	98.1	Very high	97.4	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118	169.4	0	0	0	0	0	111.8	E441 L445 V453 D454 I456 A500 I501	E441-A443 PolarHBondContact O-N 3.06Å; A443-L445 PolarHBondContact O-N 2.58Å; A443-V453 CarbonylContact O-C 3.53Å; A443-V453 WeakPolarHBondContact O-CA 3.28Å; A443-V453 WeakPolarHBondContact O-CB 3.41Å; A443-D454 PolarHBondContact N-O 2.85Å; A443-D454 PolarHBondContact O-N 3.26Å; A443-I456 HydrophobicContact CB-CD1 3.74Å; A443-I456 HydrophobicContact CB-CG1 3.7Å; A443-A500 HydrophobicContact CB-CB 3.49Å; A443-A500 VanDerWaalsContact CB-CB 3.49Å; A443-I501 HydrophobicContact CB-CG2 4.01Å
444	S	97.5	Very high	97.6	Very high	37 Å²	37	25.1 Å²	25.1	26%	0.259	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	125.1	179.6	-165.7	0	0	0	0	112.5	E332 R446	E332-S444 WeakPolarHBondContact OE2-CB 3.4Å; E332-S444 PolarHBondContact OE2-OG 2.79Å; S444-R446 VanDerWaalsContact C-N 3.33Å; S444-R446 WeakPolarHBondContact OG-CB 3.38Å; S444-R446 VanDerWaalsContact OG-CG 3.28Å; S444-R446 WeakPolarHBondContact OG-CG 3.31Å; S444-R446 PolarHBondContact OG-N 3.43Å
445	L	97.7	Very high	97.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.108	C	C	.	.			trans	-92	11.4	171.3	-68.9	-177.6	0	0	0	112.2	V20 A443 R447 F448 G451 R452 D454 A500 N508	V20-L445 HydrophobicContact CG1-CD1 4.4Å; A443-L445 PolarHBondContact O-N 2.58Å; L445-R447 PolarHBondContact O-N 3.45Å; L445-F448 HydrophobicContact CB-CD2 4.16Å; L445-F448 HydrophobicContact CD2-CD2 4.1Å; L445-F448 HydrophobicContact CD2-CE2 4Å; L445-F448 VanDerWaalsContact O-CD2 3.32Å; L445-F448 WeakPolarHBondContact O-CD2 3.47Å; L445-F448 PolarHBondContact O-N 3.18Å; L445-G451 WeakPolarHBondContact O-CA 3.31Å; L445-R452 WeakPolarHBondContact CA-O 3.5Å; L445-R452 WeakPolarHBondContact CB-O 3.46Å; L445-R452 PolarHBondContact N-O 3.44Å; L445-D454 HydrophobicContact CD1-CB 4.1Å; L445-D454 HydrophobicContact CD2-CB 4.28Å; L445-D454 HydrophobicContact CG-CB 4.17Å; L445-A500 WeakPolarHBondContact CD2-O 3.37Å; L445-N508 WeakPolarHBondContact CD1-ND2 3.48Å
446	R	97.3	Very high	97.8	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-8.4	-179.4	-73.5	179.9	64.3	-152.5	-5.1	114.4	D143 L154 C155 S444 F448	D143-R446 IonicContact OD2-CZ 2.81Å; D143-R446 VanDerWaalsContact OD2-CZ 3.29Å; D143-R446 IonicContact OD2-NH1 3.95Å; D143-R446 PolarHBondContact OD2-NH1 2.72Å; D143-R446 IonicContact OD2-NH2 3.34Å; D143-R446 PolarHBondContact OD2-NH2 3Å; L154-R446 CarbonylContact C-O 3.56Å; L154-R446 WeakPolarHBondContact CA-O 3.15Å; L154-R446 HydrophobicContact CB-CB 4.13Å; L154-R446 HydrophobicContact CD2-CB 4.03Å; L154-R446 HydrophobicContact CG-CB 4.49Å; C155-R446 HydrophobicContact CB-CB 4.44Å; C155-R446 VanDerWaalsContact CB-O 3.31Å; C155-R446 WeakPolarHBondContact CB-O 3.47Å; C155-R446 PolarHBondContact N-O 2.7Å; C155-R446 VanDerWaalsContact O-CZ 3.3Å; C155-R446 PolarHBondContact O-NE 3.48Å; C155-R446 PolarHBondContact O-NH2 3.31Å; S444-R446 VanDerWaalsContact C-N 3.33Å; S444-R446 WeakPolarHBondContact OG-CB 3.38Å; S444-R446 VanDerWaalsContact OG-CG 3.28Å; S444-R446 WeakPolarHBondContact OG-CG 3.31Å; S444-R446 PolarHBondContact OG-N 3.43Å; R446-F448 PolarHBondContact O-N 2.95Å
447	R	96.4	Very high	97.9	Very high	24 Å²	24	17.8 Å²	17.8	9%	0.091	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.8	167.4	-60.5	175.7	-169.5	-104.5	-4	113.1	P18 Q148 L149 T152 L154 L445 I501	P18-R447 WeakPolarHBondContact CD-O 3.33Å; P18-R447 WeakPolarHBondContact CG-O 3.33Å; Q148-R447 PolarHBondContact O-NH2 2.94Å; L149-R447 PolarHBondContact O-NH1 3.47Å; L149-R447 PolarHBondContact O-NH2 3.38Å; T152-R447 HydrophobicContact CG2-CB 4.36Å; T152-R447 HydrophobicContact CG2-CG 4.13Å; T152-R447 PolarHBondContact OG1-NH1 2.97Å; L154-R447 HydrophobicContact CD2-CG 3.82Å; L445-R447 PolarHBondContact O-N 3.45Å; R447-I501 WeakPolarHBondContact CD-O 3.48Å
448	F	97.8	Very high	97.9	Very high	20 Å²	20	17.5 Å²	17.5	9%	0.088	9%	0.086	C	C	.	.	S	Bend	trans	-110.4	158.9	180	-53.7	-74.8	0	0	0	111	P18 K19 V20 P21 C155 L445 R446 E450 G451 T502	P18-F448 HydrophobicContact CB-CD1 4Å; P18-F448 HydrophobicContact CB-CE1 4.33Å; P18-F448 HydrophobicContact CG-CD1 3.68Å; P18-F448 HydrophobicContact CG-CE1 4Å; P18-F448 CarbonylContact O-C 3.19Å; P18-F448 WeakPolarHBondContact O-CA 3.41Å; P18-F448 WeakPolarHBondContact O-CB 3.27Å; K19-F448 VanDerWaalsContact O-CD1 3.28Å; K19-F448 WeakPolarHBondContact O-CD1 3.47Å; V20-F448 HydrophobicContact CB-CB 4.39Å; V20-F448 HydrophobicContact CB-CG 4.43Å; V20-F448 HydrophobicContact CG2-CB 3.52Å; V20-F448 HydrophobicContact CG2-CD2 4.28Å; V20-F448 HydrophobicContact CG2-CG 3.97Å; P21-F448 VanDerWaalsContact CD-CE1 3.5Å; P21-F448 HydrophobicContact CG-CE1 4.36Å; P21-F448 HydrophobicContact CG-CZ 4.23Å; C155-F448 WeakPolarHBondContact CB-O 3.29Å; L445-F448 HydrophobicContact CB-CD2 4.16Å; L445-F448 HydrophobicContact CD2-CD2 4.1Å; L445-F448 HydrophobicContact CD2-CE2 4Å; L445-F448 VanDerWaalsContact O-CD2 3.32Å; L445-F448 WeakPolarHBondContact O-CD2 3.47Å; L445-F448 PolarHBondContact O-N 3.18Å; R446-F448 PolarHBondContact O-N 2.95Å; F448-E450 PolarHBondContact O-N 3.04Å; F448-G451 PolarHBondContact O-N 3.14Å; F448-G451 VanDerWaalsContact O-N 3.14Å; F448-T502 WeakPolarHBondContact CZ-O 3.15Å
449	R	96.1	Very high	97.9	Very high	94 Å²	94	17.4 Å²	17.4	36%	0.355	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	133.2	173.3	-60.6	-173.6	-159.3	173.2	17	110.3	L17 P18 N78 G451	L17-R449 HydrophobicContact CB-CG 3.91Å; L17-R449 VanDerWaalsContact O-CG 3.29Å; L17-R449 WeakPolarHBondContact O-CG 3.08Å; L17-R449 PolarHBondContact O-NE 3.26Å; P18-R449 PolarHBondContact O-N 3.27Å; N78-R449 WeakPolarHBondContact CB-O 3.32Å; N78-R449 PolarHBondContact ND2-O 3.36Å; R449-G451 PolarHBondContact O-N 3.15Å
450	E	96.1	Very high	97.9	Very high	61 Å²	61	17.6 Å²	17.6	29%	0.285	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	24.8	-179.6	-56	173.6	164.3	0	0	113.3	N78 Y81 C155 E157 F448 R452	N78-E450 HydrophobicContact CB-CB 3.95Å; N78-E450 PolarHBondContact ND2-O 2.73Å; Y81-E450 HydrophobicContact CD2-CB 4.18Å; C155-E450 PolarHBondContact SG-N 3.26Å; C155-E450 VanDerWaalsContact SG-N 3.39Å; E157-E450 HydrophobicContact CG-CG 4.49Å; F448-E450 PolarHBondContact O-N 3.04Å; E450-R452 PolarHBondContact O-N 2.82Å
451	G	97	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.			trans	-60.3	128.8	-179.3	0	0	0	0	0	110.6	Q158 L445 F448 R449	Q158-G451 PolarHBondContact NE2-O 2.84Å; L445-G451 WeakPolarHBondContact O-CA 3.31Å; F448-G451 PolarHBondContact O-N 3.14Å; F448-G451 VanDerWaalsContact O-N 3.14Å; R449-G451 PolarHBondContact O-N 3.15Å
452	R	97.3	Very high	97.9	Very high	7 Å²	7	20.8 Å²	20.8	3%	0.026	11%	0.11	C	C	.	.			trans	-101.4	-117.9	165.8	-69.7	-62.3	-60.9	-91.7	4.7	109	Y81 W84 H328 S329 P330 F331 E332 L445 E450	Y81-R452 HydrophobicContact CD2-CG 4.18Å; Y81-R452 HydrophobicContact CE2-CG 4.04Å; W84-R452 HydrophobicContact CD2-CB 4.13Å; W84-R452 HydrophobicContact CE3-CB 3.8Å; W84-R452 HydrophobicContact CE3-CG 3.86Å; W84-R452 HydrophobicContact CH2-CB 3.71Å; W84-R452 HydrophobicContact CH2-CG 3.99Å; W84-R452 HydrophobicContact CZ2-CB 4.12Å; W84-R452 HydrophobicContact CZ3-CB 3.61Å; W84-R452 HydrophobicContact CZ3-CG 3.5Å; H328-R452 PolarHBondContact O-NH2 3.39Å; S329-R452 PolarHBondContact O-NH1 2.88Å; P330-R452 PolarHBondContact O-NH1 2.88Å; F331-R452 PolarHBondContact O-NH2 2.87Å; E332-R452 WeakPolarHBondContact OE1-CA 3.47Å; E332-R452 IonicContact OE1-NE 3.52Å; L445-R452 WeakPolarHBondContact CA-O 3.5Å; L445-R452 WeakPolarHBondContact CB-O 3.46Å; L445-R452 PolarHBondContact N-O 3.44Å; E450-R452 PolarHBondContact O-N 2.82Å
453	V	97.9	Very high	97.9	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157	178.5	-60.4	0	0	0	0	111.9	W84 E332 Y440 A443 N508	W84-V453 HydrophobicContact CH2-CG2 4.34Å; W84-V453 HydrophobicContact CZ2-CG2 3.37Å; E332-V453 VanDerWaalsContact CD-CG1 3.46Å; E332-V453 HydrophobicContact CG-CG1 3.72Å; Y440-V453 WeakPolarHBondContact OH-CG2 3.4Å; A443-V453 CarbonylContact O-C 3.53Å; A443-V453 WeakPolarHBondContact O-CA 3.28Å; A443-V453 WeakPolarHBondContact O-CB 3.41Å; V453-N508 PolarHBondContact O-ND2 3.4Å
454	D	98.5	Very high	97.9	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.032	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	178.4	157.7	-145.8	-35.2	0	0	0	108.7	A443 L445 A505 N508	A443-D454 PolarHBondContact N-O 2.85Å; A443-D454 PolarHBondContact O-N 3.26Å; L445-D454 HydrophobicContact CD1-CB 4.1Å; L445-D454 HydrophobicContact CD2-CB 4.28Å; L445-D454 HydrophobicContact CG-CB 4.17Å; D454-A505 HydrophobicContact CB-CB 4.48Å; D454-N508 WeakPolarHBondContact CA-ND2 3.2Å; D454-N508 WeakPolarHBondContact CB-ND2 3.44Å; D454-N508 PolarHBondContact OD1-N 3.11Å; D454-N508 WeakPolarHBondContact OD2-CB 3.37Å; D454-N508 PolarHBondContact OD2-ND2 3.48Å; D454-N508 VanDerWaalsContact OD2-ND2 3.17Å
455	N	98.6	Very high	98	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.027	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.4	-179.7	-173.4	17.4	0	0	0	112.2	Y440 E441 D507 F539	Y440-N455 VanDerWaalsContact CA-OD1 3.29Å; Y440-N455 WeakPolarHBondContact CA-OD1 3.46Å; Y440-N455 HydrophobicContact CD2-CB 3.94Å; Y440-N455 VanDerWaalsContact CD2-OD1 3.24Å; Y440-N455 WeakPolarHBondContact CD2-OD1 3.32Å; Y440-N455 HydrophobicContact CE2-CB 3.94Å; E441-N455 PolarHBondContact N-OD1 3.08Å; E441-N455 VanDerWaalsContact N-OD1 3.07Å; E441-N455 PolarHBondContact O-OD1 3.48Å; N455-D507 HydrophobicContact CB-CB 3.89Å; N455-D507 WeakPolarHBondContact CB-OD1 3.23Å; N455-D507 PolarHBondContact ND2-OD1 3.04Å; N455-F539 WeakPolarHBondContact ND2-CE1 3.36Å
456	I	98.8	Very high	98	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	10%	0.1	C	C	.	.			trans	-97.2	114.3	161.8	-58.4	161.6	0	0	0	107.9	E441 A443 S458 Q493 T497 A500	E441-I456 HydrophobicContact CB-CB 3.96Å; E441-I456 HydrophobicContact CG-CB 4.16Å; E441-I456 HydrophobicContact CG-CD1 4.03Å; E441-I456 PolarHBondContact N-O 3.16Å; E441-I456 PolarHBondContact O-N 3.44Å; E441-I456 WeakPolarHBondContact OE2-CB 3.27Å; E441-I456 WeakPolarHBondContact OE2-CD1 3.41Å; E441-I456 VanDerWaalsContact OE2-CG2 3.31Å; E441-I456 WeakPolarHBondContact OE2-CG2 3.1Å; A443-I456 HydrophobicContact CB-CD1 3.74Å; A443-I456 HydrophobicContact CB-CG1 3.7Å; I456-S458 PolarHBondContact O-N 2.89Å; I456-S458 VanDerWaalsContact O-N 3.12Å; I456-Q493 VanDerWaalsContact CG2-NE2 3.28Å; I456-T497 HydrophobicContact CD1-CG2 3.91Å; I456-A500 HydrophobicContact CG1-CB 3.61Å
457	R	98.7	Very high	98.1	Very high	17 Å²	17	19.2 Å²	19.2	6%	0.064	10%	0.1	C	C	.	.			trans	-84.4	85.8	179.6	-69.6	179.1	173.7	-93.4	0.1	110.8	A459 D507 S536 N537	R457-A459 VanDerWaalsContact C-N 3.28Å; R457-A459 PolarHBondContact O-N 3.13Å; R457-D507 IonicContact CZ-OD1 2.71Å; R457-D507 VanDerWaalsContact CZ-OD1 3.3Å; R457-D507 IonicContact CZ-OD2 3.43Å; R457-D507 IonicContact NE-OD1 2.85Å; R457-D507 PolarHBondContact NE-OD1 2.86Å; R457-D507 IonicContact NE-OD2 2.85Å; R457-D507 PolarHBondContact NE-OD2 3.38Å; R457-D507 IonicContact NH2-OD1 3.05Å; R457-D507 PolarHBondContact NH2-OD1 3.24Å; R457-D507 IonicContact NH2-OD2 3.59Å; R457-D507 PolarHBondContact NH2-OD2 3.03Å; R457-S536 PolarHBondContact NH1-O 3.24Å; R457-S536 PolarHBondContact NH2-O 2.89Å; R457-N537 PolarHBondContact NH2-OD1 3.48Å; R457-N537 VanDerWaalsContact NH2-OD1 3.11Å
458	S	98.6	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.			trans	-69.4	-18	-170.5	-47.9	0	0	0	0	115.8	Q422 E441 I456 T460 Q493	Q422-S458 VanDerWaalsContact OE1-CB 3.29Å; Q422-S458 PolarHBondContact OE1-OG 3.38Å; E441-S458 PolarHBondContact OE2-OG 3.42Å; I456-S458 PolarHBondContact O-N 2.89Å; I456-S458 VanDerWaalsContact O-N 3.12Å; S458-T460 PolarHBondContact O-N 2.78Å; S458-Q493 VanDerWaalsContact CA-OE1 3.26Å; S458-Q493 PolarHBondContact OG-NE2 3.27Å
459	A	98.6	Very high	98.1	Very high	7 Å²	7	22.8 Å²	22.8	6%	0.058	11%	0.113	C	C	.	.			trans	-78.2	67	176	0	0	0	0	0	110.9	H38 L39 L436 V437 R457	H38-A459 PolarHBondContact CE1-O 3.22Å; H38-A459 VanDerWaalsContact CE1-O 3.24Å; H38-A459 PolarHBondContact NE2-O 3.34Å; L39-A459 HydrophobicContact CD2-CB 4.39Å; L436-A459 HydrophobicContact CB-CB 4.28Å; L436-A459 HydrophobicContact CD1-CB 4.33Å; V437-A459 WeakPolarHBondContact O-CB 3.32Å; R457-A459 VanDerWaalsContact C-N 3.28Å; R457-A459 PolarHBondContact O-N 3.13Å
460	T	98.8	Very high	98.1	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.031	10%	0.103	C	C	.	.			trans	-81.7	163.4	-178.8	64.1	0	0	0	0	112.2	S458 E462 A463 L464 Y496	S458-T460 PolarHBondContact O-N 2.78Å; T460-E462 WeakPolarHBondContact CB-OE2 3.18Å; T460-E462 PolarHBondContact O-N 3.12Å; T460-A463 PolarHBondContact O-N 3.14Å; T460-A463 VanDerWaalsContact OG1-CB 3.31Å; T460-A463 WeakPolarHBondContact OG1-CB 3.48Å; T460-A463 PolarHBondContact OG1-N 2.85Å; T460-L464 PolarHBondContact O-N 3.08Å; T460-Y496 HydrophobicContact CG2-CD2 3.87Å; T460-Y496 HydrophobicContact CG2-CE2 3.86Å
461	A	98.6	Very high	98	Very high	42 Å²	42	18.5 Å²	18.5	35%	0.347	10%	0.103	S	C	.	.	H	α-helix	trans	-63.9	-34.1	174	0	0	0	0	0	111.3	L464 A465	A461-L464 WeakPolarHBondContact O-CB 3.46Å; A461-L464 PolarHBondContact O-N 3.46Å; A461-A465 PolarHBondContact O-N 2.83Å
462	E	98.8	Very high	97.4	Very high	51 Å²	51	21.1 Å²	21.1	24%	0.238	12%	0.117	C	C	.	.	H	α-helix	trans	-67.3	-42.2	175.6	-60.3	83.3	172.2	0	0	110.9	K34 T460 A465 F466 A489 A492	K34-E462 IonicContact NZ-OE1 2.88Å; K34-E462 PolarHBondContact NZ-OE1 3.49Å; T460-E462 WeakPolarHBondContact CB-OE2 3.18Å; T460-E462 PolarHBondContact O-N 3.12Å; E462-A465 PolarHBondContact O-N 2.97Å; E462-F466 PolarHBondContact O-N 3.36Å; E462-A489 HydrophobicContact CB-CB 4.38Å; E462-A492 HydrophobicContact CB-CB 3.86Å; E462-A492 HydrophobicContact CG-CB 3.81Å
463	A	98.8	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-45.7	170.7	0	0	0	0	0	111.3	I423 Q426 L436 T460 A465 F466 V467	I423-A463 HydrophobicContact CD1-CB 3.77Å; Q426-A463 HydrophobicContact CB-CB 4.49Å; Q426-A463 HydrophobicContact CG-CB 4.28Å; L436-A463 HydrophobicContact CD1-CB 4.3Å; T460-A463 PolarHBondContact O-N 3.14Å; T460-A463 VanDerWaalsContact OG1-CB 3.31Å; T460-A463 WeakPolarHBondContact OG1-CB 3.48Å; T460-A463 PolarHBondContact OG1-N 2.85Å; A463-A465 VanDerWaalsContact C-N 3.32Å; A463-A465 PolarHBondContact O-N 2.8Å; A463-F466 PolarHBondContact O-N 3.46Å; A463-F466 VanDerWaalsContact O-N 3.16Å; A463-V467 WeakPolarHBondContact O-CG1 3.49Å; A463-V467 WeakPolarHBondContact O-CG2 3.28Å; A463-V467 PolarHBondContact O-N 3.44Å
464	L	98.6	Very high	95.9	Very high	15 Å²	15	40.8 Å²	40.8	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-43.4	176.7	-178.9	62.1	0	0	0	112	H38 Y430 L436 T460 A461 F466 V467 R468	H38-L464 HydrophobicContact CB-CD2 3.73Å; Y430-L464 HydrophobicContact CD2-CD1 4.39Å; Y430-L464 HydrophobicContact CE2-CD1 4.02Å; L436-L464 HydrophobicContact CD1-CB 3.8Å; L436-L464 HydrophobicContact CD1-CD1 4.21Å; L436-L464 HydrophobicContact CG-CD1 3.98Å; T460-L464 PolarHBondContact O-N 3.08Å; A461-L464 WeakPolarHBondContact O-CB 3.46Å; A461-L464 PolarHBondContact O-N 3.46Å; L464-F466 VanDerWaalsContact C-N 3.33Å; L464-F466 PolarHBondContact O-N 2.82Å; L464-V467 HydrophobicContact CD1-CG2 4.36Å; L464-V467 WeakPolarHBondContact O-CG2 3.48Å; L464-R468 HydrophobicContact CD1-CG 4.24Å; L464-R468 WeakPolarHBondContact O-CB 3.45Å; L464-R468 WeakPolarHBondContact O-CG 3.5Å; L464-R468 PolarHBondContact O-N 3.07Å; L464-R468 VanDerWaalsContact O-N 3.09Å
465	A	98.4	Very high	95.1	Very high	36 Å²	36	42.4 Å²	42.4	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-63.4	-39.9	177.8	0	0	0	0	0	112	A461 E462 A463 S469 R485	A461-A465 PolarHBondContact O-N 2.83Å; E462-A465 PolarHBondContact O-N 2.97Å; A463-A465 VanDerWaalsContact C-N 3.32Å; A463-A465 PolarHBondContact O-N 2.8Å; A465-S469 PolarHBondContact O-N 3.22Å; A465-R485 WeakPolarHBondContact O-CD 3.33Å; A465-R485 PolarHBondContact O-NH1 2.9Å
466	F	98.6	Very high	94.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-53.2	176.3	170.5	-109.5	0	0	0	112.1	I423 L427 E462 A463 L464 R468 S469 M470 R485 L486 A489 I604 L607	I423-F466 HydrophobicContact CG2-CD1 3.33Å; I423-F466 HydrophobicContact CG2-CE1 3.55Å; I423-F466 HydrophobicContact CG2-CG 4.3Å; L427-F466 HydrophobicContact CD2-CE1 4.47Å; E462-F466 PolarHBondContact O-N 3.36Å; A463-F466 PolarHBondContact O-N 3.46Å; A463-F466 VanDerWaalsContact O-N 3.16Å; L464-F466 VanDerWaalsContact C-N 3.33Å; L464-F466 PolarHBondContact O-N 2.82Å; F466-R468 VanDerWaalsContact C-N 3.28Å; F466-R468 PolarHBondContact O-N 3.2Å; F466-S469 WeakPolarHBondContact O-CA 3.32Å; F466-S469 WeakPolarHBondContact O-CB 3.41Å; F466-S469 PolarHBondContact O-N 3.3Å; F466-S469 PolarHBondContact O-OG 2.9Å; F466-M470 HydrophobicContact CD2-CG 4.24Å; F466-M470 HydrophobicContact CE1-CG 4.15Å; F466-M470 HydrophobicContact CE2-CG 3.53Å; F466-M470 HydrophobicContact CE2-SD 4Å; F466-M470 HydrophobicContact CZ-CG 3.48Å; F466-M470 VanDerWaalsContact CZ-CG 3.48Å; F466-M470 HydrophobicContact CZ-SD 4.14Å; F466-M470 PolarHBondContact O-N 3.04Å; F466-M470 VanDerWaalsContact O-N 3.16Å; F466-R485 HydrophobicContact CB-CB 4.11Å; F466-R485 HydrophobicContact CD2-CB 4.18Å; F466-L486 HydrophobicContact CD1-CD1 4.47Å; F466-L486 HydrophobicContact CD2-CB 3.78Å; F466-L486 HydrophobicContact CD2-CD1 4.46Å; F466-L486 HydrophobicContact CE1-CD1 4.03Å; F466-L486 HydrophobicContact CE2-CB 3.61Å; F466-L486 HydrophobicContact CE2-CD1 4.03Å; F466-L486 HydrophobicContact CE2-CG 4.3Å; F466-L486 HydrophobicContact CZ-CB 4.26Å; F466-L486 HydrophobicContact CZ-CD1 3.79Å; F466-L486 HydrophobicContact CZ-CG 4.49Å; F466-A489 HydrophobicContact CB-CB 4.04Å; F466-I604 HydrophobicContact CE1-CD1 4.21Å; F466-I604 HydrophobicContact CE1-CG1 4.45Å; F466-I604 HydrophobicContact CZ-CD1 4.24Å; F466-I604 HydrophobicContact CZ-CG1 3.98Å; F466-L607 HydrophobicContact CE2-CD2 4.34Å
467	V	98.3	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-36.5	-176.1	-57.2	0	0	0	0	111.9	Q426 L427 Y430 L436 A463 L464 S469 M470 A471	Q426-V467 HydrophobicContact CB-CG1 4.15Å; L427-V467 VanDerWaalsContact CA-CG1 3.49Å; L427-V467 HydrophobicContact CB-CG1 3.91Å; L427-V467 HydrophobicContact CD1-CB 4.03Å; L427-V467 HydrophobicContact CD1-CG1 4.21Å; Y430-V467 HydrophobicContact CD1-CB 4.39Å; Y430-V467 HydrophobicContact CD1-CG2 4.19Å; Y430-V467 HydrophobicContact CD2-CG2 3.58Å; Y430-V467 HydrophobicContact CE2-CG2 4.16Å; Y430-V467 HydrophobicContact CG-CB 4.05Å; Y430-V467 HydrophobicContact CG-CG2 3.59Å; L436-V467 HydrophobicContact CD2-CG2 4.14Å; L436-V467 HydrophobicContact CG-CG2 4.46Å; A463-V467 WeakPolarHBondContact O-CG1 3.49Å; A463-V467 WeakPolarHBondContact O-CG2 3.28Å; A463-V467 PolarHBondContact O-N 3.44Å; L464-V467 HydrophobicContact CD1-CG2 4.36Å; L464-V467 WeakPolarHBondContact O-CG2 3.48Å; V467-S469 VanDerWaalsContact C-N 3.32Å; V467-S469 PolarHBondContact O-N 3.47Å; V467-M470 PolarHBondContact O-N 3.07Å; V467-M470 VanDerWaalsContact O-N 3.15Å; V467-A471 WeakPolarHBondContact O-CB 3.16Å; V467-A471 PolarHBondContact O-N 2.88Å
468	R	97.5	Very high	94	Very high	118 Å²	118	53.8 Å²	53.8	45%	0.445	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-41	170.9	-78.6	177.7	172.2	171.1	0.6	112	Y430 L464 F466 M470 D472	Y430-R468 HydrophobicContact CE2-CG 4.19Å; Y430-R468 WeakPolarHBondContact OH-CG 3.18Å; L464-R468 HydrophobicContact CD1-CG 4.24Å; L464-R468 WeakPolarHBondContact O-CB 3.45Å; L464-R468 WeakPolarHBondContact O-CG 3.5Å; L464-R468 PolarHBondContact O-N 3.07Å; L464-R468 VanDerWaalsContact O-N 3.09Å; F466-R468 VanDerWaalsContact C-N 3.28Å; F466-R468 PolarHBondContact O-N 3.2Å; R468-M470 PolarHBondContact O-N 2.96Å; R468-D472 WeakPolarHBondContact O-CB 3.36Å; R468-D472 PolarHBondContact O-N 3.04Å
469	S	97.1	Very high	93.8	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-20.1	177.8	73.3	0	0	0	0	114.3	A465 F466 V467 F477 K482	A465-S469 PolarHBondContact O-N 3.22Å; F466-S469 WeakPolarHBondContact O-CA 3.32Å; F466-S469 WeakPolarHBondContact O-CB 3.41Å; F466-S469 PolarHBondContact O-N 3.3Å; F466-S469 PolarHBondContact O-OG 2.9Å; V467-S469 VanDerWaalsContact C-N 3.32Å; V467-S469 PolarHBondContact O-N 3.47Å; S469-F477 VanDerWaalsContact CA-CD2 3.49Å; S469-K482 WeakPolarHBondContact O-CE 3.24Å; S469-K482 PolarHBondContact O-NZ 2.97Å
470	M	96.3	Very high	93.6	Very high	30 Å²	30	61.1 Å²	61.1	15%	0.148	33%	0.327	C	S	.	.	H	α-helix	trans	-89.8	-40.8	177	-69.8	-63.1	-68.2	0	0	112.5	L427 F466 V467 R468 K482 E603 L607	L427-M470 HydrophobicContact CD1-CB 3.7Å; L427-M470 HydrophobicContact CD1-CG 4.41Å; L427-M470 HydrophobicContact CD2-CB 4.34Å; L427-M470 HydrophobicContact CD2-CG 4.39Å; F466-M470 HydrophobicContact CD2-CG 4.24Å; F466-M470 HydrophobicContact CE1-CG 4.15Å; F466-M470 HydrophobicContact CE2-CG 3.53Å; F466-M470 HydrophobicContact CE2-SD 4Å; F466-M470 HydrophobicContact CZ-CG 3.48Å; F466-M470 VanDerWaalsContact CZ-CG 3.48Å; F466-M470 HydrophobicContact CZ-SD 4.14Å; F466-M470 PolarHBondContact O-N 3.04Å; F466-M470 VanDerWaalsContact O-N 3.16Å; V467-M470 PolarHBondContact O-N 3.07Å; V467-M470 VanDerWaalsContact O-N 3.15Å; R468-M470 PolarHBondContact O-N 2.96Å; M470-K482 HydrophobicContact SD-CB 4.39Å; M470-K482 HydrophobicContact SD-CD 3.86Å; M470-K482 HydrophobicContact SD-CG 4.45Å; M470-E603 HydrophobicContact CE-CB 3.68Å; M470-L607 HydrophobicContact SD-CD2 4.03Å
471	A	93.8	Very high	93.5	Very high	34 Å²	34	65 Å²	65	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-112.4	-14.7	-166.3	0	0	0	0	0	115.5	L427 Y430 K431 V467 E473	L427-A471 HydrophobicContact CD1-CB 4.43Å; Y430-A471 HydrophobicContact CD1-CB 3.86Å; Y430-A471 HydrophobicContact CE1-CB 4.05Å; K431-A471 HydrophobicContact CG-CB 4.22Å; V467-A471 WeakPolarHBondContact O-CB 3.16Å; V467-A471 PolarHBondContact O-N 2.88Å; A471-E473 PolarHBondContact O-N 2.82Å
472	D	85.2	Confident	93.4	Very high	55 Å²	55	65.2 Å²	65.2	29%	0.294	34%	0.337	S	S	.	.			trans	-85.1	106.6	179.4	-167.3	-10.3	0	0	0	111.1	R468 R474 A475	R468-D472 WeakPolarHBondContact O-CB 3.36Å; R468-D472 PolarHBondContact O-N 3.04Å; D472-R474 PolarHBondContact O-N 2.95Å; D472-R474 VanDerWaalsContact OD1-CB 3.27Å; D472-R474 WeakPolarHBondContact OD1-CB 3.33Å; D472-R474 WeakPolarHBondContact OD1-CG 3.46Å; D472-R474 PolarHBondContact OD1-N 2.72Å; D472-A475 PolarHBondContact O-N 3.35Å
473	E	81.9	Confident	93.4	Very high	193 Å²	193	63.5 Å²	63.5	90%	0.902	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.7	179.1	-62.6	-177.9	171.7	0	0	113.3	A471 A475	A471-E473 PolarHBondContact O-N 2.82Å; E473-A475 VanDerWaalsContact C-N 3.28Å; E473-A475 PolarHBondContact O-N 2.67Å
474	R	82	Confident	93.3	Very high	237 Å²	237	70 Å²	70	89%	0.894	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.1	-178.7	-58.3	175.2	-177.1	175.8	1.8	113	D472	D472-R474 PolarHBondContact O-N 2.95Å; D472-R474 VanDerWaalsContact OD1-CB 3.27Å; D472-R474 WeakPolarHBondContact OD1-CB 3.33Å; D472-R474 WeakPolarHBondContact OD1-CG 3.46Å; D472-R474 PolarHBondContact OD1-N 2.72Å
475	A	81.8	Confident	93.3	Very high	39 Å²	39	72.7 Å²	72.7	32%	0.322	37%	0.367	S	S	.	.	S	Bend	trans	-127.7	121.2	-176.3	0	0	0	0	0	111.1	D472 E473 F477	D472-A475 PolarHBondContact O-N 3.35Å; E473-A475 VanDerWaalsContact C-N 3.28Å; E473-A475 PolarHBondContact O-N 2.67Å; A475-F477 HydrophobicContact CB-CD2 4.29Å; A475-F477 HydrophobicContact CB-CE2 3.5Å; A475-F477 HydrophobicContact CB-CZ 3.89Å; A475-F477 WeakPolarHBondContact O-CD2 3.43Å
476	T	86.4	Confident	93.3	Very high	143 Å²	143	71 Å²	71	88%	0.877	35%	0.353	S	S	*	.			trans	-85.4	116.6	177.6	-49.4	0	0	0	0	110.2
477	F	92.8	Very high	93.3	Very high	42 Å²	42	76.6 Å²	76.6	18%	0.184	38%	0.377	C	S	.	.			trans	-111.2	138.4	172.7	-63.3	-79.2	0	0	0	110.8	S469 A475 E481 K482 R485	S469-F477 VanDerWaalsContact CA-CD2 3.49Å; A475-F477 HydrophobicContact CB-CD2 4.29Å; A475-F477 HydrophobicContact CB-CE2 3.5Å; A475-F477 HydrophobicContact CB-CZ 3.89Å; A475-F477 WeakPolarHBondContact O-CD2 3.43Å; F477-E481 HydrophobicContact CB-CB 4.44Å; F477-E481 HydrophobicContact CD1-CB 4.48Å; F477-K482 HydrophobicContact CB-CG 3.87Å; F477-K482 VanDerWaalsContact O-CE 3.31Å; F477-K482 WeakPolarHBondContact O-CE 3.34Å; F477-R485 VanDerWaalsContact CE1-CZ 3.47Å
478	T	93.9	Very high	93.3	Very high	80 Å²	80	80.1 Å²	80.1	49%	0.491	40%	0.396	S	S	.	.			trans	-68.4	156.1	171.7	65.2	0	0	0	0	110.9	S480 E481 K482	T478-S480 PolarHBondContact O-N 2.84Å; T478-E481 WeakPolarHBondContact CB-OE2 3.46Å; T478-E481 PolarHBondContact N-OE2 2.77Å; T478-E481 PolarHBondContact O-N 2.74Å; T478-E481 VanDerWaalsContact O-N 3.09Å; T478-E481 VanDerWaalsContact OG1-CG 3.29Å; T478-E481 WeakPolarHBondContact OG1-CG 3.39Å; T478-E481 PolarHBondContact OG1-N 3.2Å; T478-E481 PolarHBondContact OG1-OE2 3.44Å; T478-K482 WeakPolarHBondContact O-CG 3.49Å; T478-K482 PolarHBondContact O-N 3.39Å
479	N	93.8	Very high	93.4	Very high	73 Å²	73	74.5 Å²	74.5	39%	0.39	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-32.5	174.9	-70.6	-14.7	0	0	0	112.4	M483 L607	N479-M483 VanDerWaalsContact O-CB 3.23Å; N479-M483 WeakPolarHBondContact O-CB 3.37Å; N479-M483 PolarHBondContact O-N 3.31Å; N479-L607 HydrophobicContact CB-CD1 4.07Å
480	S	95	Very high	93.4	Very high	89 Å²	89	74.8 Å²	74.8	62%	0.622	38%	0.376	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.2	-171	0	0	0	0	111.9	T478 M483 K484	T478-S480 PolarHBondContact O-N 2.84Å; S480-M483 PolarHBondContact O-N 3.44Å; S480-K484 WeakPolarHBondContact O-CB 3.42Å; S480-K484 PolarHBondContact O-N 2.85Å
481	E	95.9	Very high	93.5	Very high	86 Å²	86	79 Å²	79	40%	0.402	39%	0.394	S	S	.	.	H	α-helix	trans	-66.9	-43.6	177.3	-70.3	164.2	130.4	0	0	112.1	F477 T478 M483 K484 R485	F477-E481 HydrophobicContact CB-CB 4.44Å; F477-E481 HydrophobicContact CD1-CB 4.48Å; T478-E481 WeakPolarHBondContact CB-OE2 3.46Å; T478-E481 PolarHBondContact N-OE2 2.77Å; T478-E481 PolarHBondContact O-N 2.74Å; T478-E481 VanDerWaalsContact O-N 3.09Å; T478-E481 VanDerWaalsContact OG1-CG 3.29Å; T478-E481 WeakPolarHBondContact OG1-CG 3.39Å; T478-E481 PolarHBondContact OG1-N 3.2Å; T478-E481 PolarHBondContact OG1-OE2 3.44Å; E481-M483 VanDerWaalsContact C-N 3.32Å; E481-M483 PolarHBondContact O-N 2.87Å; E481-K484 PolarHBondContact O-N 2.67Å; E481-R485 WeakPolarHBondContact O-CG 3.21Å; E481-R485 PolarHBondContact O-N 3.15Å
482	K	97.2	Very high	93.8	Very high	46 Å²	46	77.8 Å²	77.8	20%	0.2	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-44.2	175.1	-64.7	-176.1	-173.2	-158.1	0	111	S469 M470 F477 T478 R485 L486 L607	S469-K482 WeakPolarHBondContact O-CE 3.24Å; S469-K482 PolarHBondContact O-NZ 2.97Å; M470-K482 HydrophobicContact SD-CB 4.39Å; M470-K482 HydrophobicContact SD-CD 3.86Å; M470-K482 HydrophobicContact SD-CG 4.45Å; F477-K482 HydrophobicContact CB-CG 3.87Å; F477-K482 VanDerWaalsContact O-CE 3.31Å; F477-K482 WeakPolarHBondContact O-CE 3.34Å; T478-K482 WeakPolarHBondContact O-CG 3.49Å; T478-K482 PolarHBondContact O-N 3.39Å; K482-R485 PolarHBondContact O-N 2.93Å; K482-L486 PolarHBondContact O-N 3.41Å; K482-L607 HydrophobicContact CB-CD1 3.93Å; K482-L607 HydrophobicContact CB-CD2 3.83Å
483	M	97.4	Very high	94.4	Very high	15 Å²	15	75.1 Å²	75.1	7%	0.074	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-40.6	177.3	-178.1	53.4	68.9	0	0	112.5	M415 N479 S480 E481 L486 K487 L607 C608 S611	M415-M483 HydrophobicContact CE-SD 4.4Å; N479-M483 VanDerWaalsContact O-CB 3.23Å; N479-M483 WeakPolarHBondContact O-CB 3.37Å; N479-M483 PolarHBondContact O-N 3.31Å; S480-M483 PolarHBondContact O-N 3.44Å; E481-M483 VanDerWaalsContact C-N 3.32Å; E481-M483 PolarHBondContact O-N 2.87Å; M483-L486 PolarHBondContact O-N 2.91Å; M483-L486 HydrophobicContact SD-CD2 4.18Å; M483-K487 WeakPolarHBondContact O-CG 3.5Å; M483-K487 PolarHBondContact O-N 3.02Å; M483-K487 HydrophobicContact SD-CG 4.48Å; M483-L607 HydrophobicContact CE-CD2 4.48Å; M483-L607 HydrophobicContact CE-CG 3.82Å; M483-L607 WeakPolarHBondContact CE-O 3.27Å; M483-C608 VanDerWaalsContact CE-CA 3.46Å; M483-C608 HydrophobicContact CE-CB 4.32Å; M483-S611 WeakPolarHBondContact CE-OG 3.39Å
484	K	97.6	Very high	95.2	Very high	136 Å²	136	67 Å²	67	59%	0.591	33%	0.333	S	S	*	.	H	α-helix	trans	-60.6	-49.3	174.5	-176.6	-175.5	173.5	-170	0	110.5	S480 E481 L486 K487 D488	S480-K484 WeakPolarHBondContact O-CB 3.42Å; S480-K484 PolarHBondContact O-N 2.85Å; E481-K484 PolarHBondContact O-N 2.67Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 PolarHBondContact O-N 2.66Å; K484-K487 WeakPolarHBondContact O-CB 3.25Å; K484-K487 PolarHBondContact O-N 3.4Å; K484-K487 VanDerWaalsContact O-N 3.14Å; K484-D488 VanDerWaalsContact O-CG 3.26Å; K484-D488 PolarHBondContact O-N 2.82Å
485	R	98.4	Very high	96	Very high	72 Å²	72	59.3 Å²	59.3	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-37.6	178.5	-69.9	176.9	177.7	-153.6	4.1	112.8	A465 F466 F477 E481 K482 D488 A489	A465-R485 WeakPolarHBondContact O-CD 3.33Å; A465-R485 PolarHBondContact O-NH1 2.9Å; F466-R485 HydrophobicContact CB-CB 4.11Å; F466-R485 HydrophobicContact CD2-CB 4.18Å; F477-R485 VanDerWaalsContact CE1-CZ 3.47Å; E481-R485 WeakPolarHBondContact O-CG 3.21Å; E481-R485 PolarHBondContact O-N 3.15Å; K482-R485 PolarHBondContact O-N 2.93Å; R485-D488 PolarHBondContact O-N 3.17Å; R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.47Å
486	L	98.6	Very high	96.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-48.8	172.6	176.4	60.8	0	0	0	111.2	M415 I423 F466 K482 M483 K484 D488 A489 V490 I604 L607	M415-L486 HydrophobicContact CE-CD2 4.01Å; M415-L486 HydrophobicContact CE-CG 4.02Å; M415-L486 HydrophobicContact SD-CD2 4.4Å; M415-L486 HydrophobicContact SD-CG 4.43Å; I423-L486 HydrophobicContact CG2-CD1 4.11Å; F466-L486 HydrophobicContact CD1-CD1 4.47Å; F466-L486 HydrophobicContact CD2-CB 3.78Å; F466-L486 HydrophobicContact CD2-CD1 4.46Å; F466-L486 HydrophobicContact CE1-CD1 4.03Å; F466-L486 HydrophobicContact CE2-CB 3.61Å; F466-L486 HydrophobicContact CE2-CD1 4.03Å; F466-L486 HydrophobicContact CE2-CG 4.3Å; F466-L486 HydrophobicContact CZ-CB 4.26Å; F466-L486 HydrophobicContact CZ-CD1 3.79Å; F466-L486 HydrophobicContact CZ-CG 4.49Å; K482-L486 PolarHBondContact O-N 3.41Å; M483-L486 PolarHBondContact O-N 2.91Å; M483-L486 HydrophobicContact SD-CD2 4.18Å; K484-L486 VanDerWaalsContact C-N 3.32Å; K484-L486 PolarHBondContact O-N 2.66Å; L486-D488 VanDerWaalsContact C-N 3.35Å; L486-D488 PolarHBondContact O-N 2.65Å; L486-A489 PolarHBondContact O-N 3.36Å; L486-V490 HydrophobicContact CD1-CG2 4.1Å; L486-V490 WeakPolarHBondContact O-CB 3.26Å; L486-V490 WeakPolarHBondContact O-CG2 3.28Å; L486-V490 PolarHBondContact O-N 2.85Å; L486-I604 HydrophobicContact CD1-CG2 4.32Å; L486-I604 HydrophobicContact CD2-CG2 3.76Å; L486-L607 HydrophobicContact CD2-CD2 4.42Å
487	K	98.3	Very high	97.3	Very high	118 Å²	118	53.1 Å²	53.1	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-42.3	178.2	-73.7	173.9	179.3	178	0	111.8	M415 M483 K484 V490 K491	M415-K487 HydrophobicContact CE-CG 3.57Å; M483-K487 WeakPolarHBondContact O-CG 3.5Å; M483-K487 PolarHBondContact O-N 3.02Å; M483-K487 HydrophobicContact SD-CG 4.48Å; K484-K487 WeakPolarHBondContact O-CB 3.25Å; K484-K487 PolarHBondContact O-N 3.4Å; K484-K487 VanDerWaalsContact O-N 3.14Å; K487-V490 PolarHBondContact O-N 3.38Å; K487-K491 VanDerWaalsContact O-CB 3.3Å; K487-K491 WeakPolarHBondContact O-CB 3.43Å; K487-K491 PolarHBondContact O-N 3.16Å
488	D	98.7	Very high	97.6	Very high	74 Å²	74	53.8 Å²	53.8	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-43.7	177.7	-66	-18.8	0	0	0	110.9	K484 R485 L486 K491 A492	K484-D488 VanDerWaalsContact O-CG 3.26Å; K484-D488 PolarHBondContact O-N 2.82Å; R485-D488 PolarHBondContact O-N 3.17Å; L486-D488 VanDerWaalsContact C-N 3.35Å; L486-D488 PolarHBondContact O-N 2.65Å; D488-K491 PolarHBondContact O-N 3.18Å; D488-A492 WeakPolarHBondContact O-CB 3.36Å; D488-A492 PolarHBondContact O-N 3.37Å
489	A	98.8	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-45.3	176.5	0	0	0	0	0	112.5	I423 E462 F466 R485 L486 K491 A492 Q493	I423-A489 HydrophobicContact CD1-CB 3.82Å; I423-A489 HydrophobicContact CG1-CB 4.04Å; I423-A489 HydrophobicContact CG2-CB 4.25Å; E462-A489 HydrophobicContact CB-CB 4.38Å; F466-A489 HydrophobicContact CB-CB 4.04Å; R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.46Å; R485-A489 PolarHBondContact O-N 3.47Å; L486-A489 PolarHBondContact O-N 3.36Å; A489-K491 VanDerWaalsContact C-N 3.3Å; A489-K491 PolarHBondContact O-N 3.15Å; A489-A492 PolarHBondContact O-N 3.31Å; A489-Q493 WeakPolarHBondContact O-CB 3.42Å; A489-Q493 PolarHBondContact O-N 3.04Å
490	V	98.6	Very high	98	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-38.4	175.9	167	0	0	0	0	111.3	M415 A419 I423 L486 K487 T494	M415-V490 HydrophobicContact CB-CG1 4.04Å; M415-V490 HydrophobicContact CG-CG1 4.04Å; M415-V490 HydrophobicContact SD-CG2 4.16Å; A419-V490 HydrophobicContact CB-CG1 4.07Å; I423-V490 HydrophobicContact CG1-CG2 4.19Å; L486-V490 HydrophobicContact CD1-CG2 4.1Å; L486-V490 WeakPolarHBondContact O-CB 3.26Å; L486-V490 WeakPolarHBondContact O-CG2 3.28Å; L486-V490 PolarHBondContact O-N 2.85Å; K487-V490 PolarHBondContact O-N 3.38Å; V490-T494 WeakPolarHBondContact O-CB 3.47Å; V490-T494 PolarHBondContact O-N 3.46Å; V490-T494 PolarHBondContact O-OG1 3.17Å
491	K	98.4	Very high	98.1	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-64.7	-49.6	175.1	-168.6	-159.4	179.4	-48.6	0	110.6	K487 D488 A489 Q493 T494 D495	K487-K491 VanDerWaalsContact O-CB 3.3Å; K487-K491 WeakPolarHBondContact O-CB 3.43Å; K487-K491 PolarHBondContact O-N 3.16Å; D488-K491 PolarHBondContact O-N 3.18Å; A489-K491 VanDerWaalsContact C-N 3.3Å; A489-K491 PolarHBondContact O-N 3.15Å; K491-Q493 VanDerWaalsContact C-N 3.32Å; K491-Q493 PolarHBondContact O-N 2.96Å; K491-T494 WeakPolarHBondContact O-CB 3.27Å; K491-T494 PolarHBondContact O-N 3.19Å; K491-T494 VanDerWaalsContact O-N 3.11Å; K491-D495 IonicContact NZ-OD1 2.71Å; K491-D495 PolarHBondContact NZ-OD1 3.11Å; K491-D495 IonicContact NZ-OD2 2.94Å; K491-D495 PolarHBondContact NZ-OD2 3.26Å; K491-D495 VanDerWaalsContact O-CG 3.27Å; K491-D495 PolarHBondContact O-N 3.48Å
492	A	98.7	Very high	98.2	Very high	9 Å²	9	42.4 Å²	42.4	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-45.7	178.7	0	0	0	0	0	111.4	E462 D488 A489 T494 D495 Y496	E462-A492 HydrophobicContact CB-CB 3.86Å; E462-A492 HydrophobicContact CG-CB 3.81Å; D488-A492 WeakPolarHBondContact O-CB 3.36Å; D488-A492 PolarHBondContact O-N 3.37Å; A489-A492 PolarHBondContact O-N 3.31Å; A492-T494 VanDerWaalsContact C-N 3.34Å; A492-T494 PolarHBondContact O-N 2.83Å; A492-D495 PolarHBondContact O-N 3.4Å; A492-Y496 WeakPolarHBondContact O-CD2 3.26Å; A492-Y496 PolarHBondContact O-N 2.75Å
493	Q	98.8	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-47.8	174	-174.4	66	19.3	0	0	111.4	A419 Q422 I423 E441 I456 S458 A489 K491 D495 Y496 T497	A419-Q493 HydrophobicContact CB-CB 3.88Å; A419-Q493 HydrophobicContact CB-CG 3.64Å; Q422-Q493 HydrophobicContact CB-CG 4.08Å; I423-Q493 HydrophobicContact CD1-CB 4.33Å; E441-Q493 PolarHBondContact OE2-NE2 3.04Å; I456-Q493 VanDerWaalsContact CG2-NE2 3.28Å; S458-Q493 VanDerWaalsContact CA-OE1 3.26Å; S458-Q493 PolarHBondContact OG-NE2 3.27Å; A489-Q493 WeakPolarHBondContact O-CB 3.42Å; A489-Q493 PolarHBondContact O-N 3.04Å; K491-Q493 VanDerWaalsContact C-N 3.32Å; K491-Q493 PolarHBondContact O-N 2.96Å; Q493-D495 VanDerWaalsContact C-N 3.34Å; Q493-D495 PolarHBondContact O-N 2.78Å; Q493-Y496 PolarHBondContact O-N 3.49Å; Q493-T497 PolarHBondContact O-N 3.35Å; Q493-T497 PolarHBondContact O-OG1 3.47Å
494	T	98.1	Very high	98.3	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-40.1	178.6	-57.3	0	0	0	0	112.2	V490 K491 A492 T497 I498	V490-T494 WeakPolarHBondContact O-CB 3.47Å; V490-T494 PolarHBondContact O-N 3.46Å; V490-T494 PolarHBondContact O-OG1 3.17Å; K491-T494 WeakPolarHBondContact O-CB 3.27Å; K491-T494 PolarHBondContact O-N 3.19Å; K491-T494 VanDerWaalsContact O-N 3.11Å; A492-T494 VanDerWaalsContact C-N 3.34Å; A492-T494 PolarHBondContact O-N 2.83Å; T494-T497 WeakPolarHBondContact O-CB 3.39Å; T494-T497 PolarHBondContact O-N 2.76Å; T494-I498 HydrophobicContact CG2-CD1 4.11Å; T494-I498 WeakPolarHBondContact O-CG1 3.46Å; T494-I498 PolarHBondContact O-N 3.09Å
495	D	98.1	Very high	98.4	Very high	76 Å²	76	35.9 Å²	35.9	41%	0.406	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-42.9	176.8	-65.1	-18.4	0	0	0	110.7	K491 A492 Q493 I498 A499	K491-D495 IonicContact NZ-OD1 2.71Å; K491-D495 PolarHBondContact NZ-OD1 3.11Å; K491-D495 IonicContact NZ-OD2 2.94Å; K491-D495 PolarHBondContact NZ-OD2 3.26Å; K491-D495 VanDerWaalsContact O-CG 3.27Å; K491-D495 PolarHBondContact O-N 3.48Å; A492-D495 PolarHBondContact O-N 3.4Å; Q493-D495 VanDerWaalsContact C-N 3.34Å; Q493-D495 PolarHBondContact O-N 2.78Å; D495-I498 PolarHBondContact O-N 2.66Å; D495-A499 PolarHBondContact O-N 3.32Å
496	Y	98.3	Very high	98.4	Very high	36 Å²	36	32.6 Å²	32.6	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-40.8	173.5	-90.2	-82.2	0	0	0	112.3	T31 C35 T460 A492 Q493 I498 A499 A500	T31-Y496 HydrophobicContact CG2-CE1 3.9Å; C35-Y496 PolarHBondContact SG-OH 3.3Å; T460-Y496 HydrophobicContact CG2-CD2 3.87Å; T460-Y496 HydrophobicContact CG2-CE2 3.86Å; A492-Y496 WeakPolarHBondContact O-CD2 3.26Å; A492-Y496 PolarHBondContact O-N 2.75Å; Q493-Y496 PolarHBondContact O-N 3.49Å; Y496-I498 VanDerWaalsContact C-N 3.33Å; Y496-I498 PolarHBondContact O-N 3.39Å; Y496-A499 PolarHBondContact O-N 3.39Å; Y496-A500 WeakPolarHBondContact O-CB 3.32Å; Y496-A500 PolarHBondContact O-N 2.9Å
497	T	98.4	Very high	98.4	Very high	15 Å²	15	33.7 Å²	33.7	9%	0.092	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-47.4	172.7	-56.5	0	0	0	0	110.9	I456 Q493 T494 A500 I501	I456-T497 HydrophobicContact CD1-CG2 3.91Å; Q493-T497 PolarHBondContact O-N 3.35Å; Q493-T497 PolarHBondContact O-OG1 3.47Å; T494-T497 WeakPolarHBondContact O-CB 3.39Å; T494-T497 PolarHBondContact O-N 2.76Å; T497-A500 PolarHBondContact O-N 3.03Å; T497-I501 HydrophobicContact CG2-CG2 4.4Å; T497-I501 WeakPolarHBondContact O-CG1 3.49Å; T497-I501 WeakPolarHBondContact O-CG2 3.49Å; T497-I501 PolarHBondContact O-N 3.48Å
498	I	98.1	Very high	98.4	Very high	56 Å²	56	28.3 Å²	28.3	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-63.2	-44.1	178.7	-68.9	166.2	0	0	0	110.5	Q148 T494 D495 Y496 A500 T502	Q148-I498 HydrophobicContact CB-CG1 4.42Å; Q148-I498 HydrophobicContact CG-CG1 4.43Å; T494-I498 HydrophobicContact CG2-CD1 4.11Å; T494-I498 WeakPolarHBondContact O-CG1 3.46Å; T494-I498 PolarHBondContact O-N 3.09Å; D495-I498 PolarHBondContact O-N 2.66Å; Y496-I498 VanDerWaalsContact C-N 3.33Å; Y496-I498 PolarHBondContact O-N 3.39Å; I498-A500 VanDerWaalsContact C-N 3.35Å; I498-A500 PolarHBondContact O-N 2.87Å; I498-T502 HydrophobicContact CG2-CG2 4.46Å; I498-T502 WeakPolarHBondContact O-CB 3.46Å; I498-T502 VanDerWaalsContact O-CG2 3.28Å; I498-T502 WeakPolarHBondContact O-CG2 3.23Å; I498-T502 PolarHBondContact O-N 2.74Å; I498-T502 VanDerWaalsContact O-N 3.12Å; I498-T502 PolarHBondContact O-OG1 2.8Å
499	A	98.4	Very high	98.4	Very high	29 Å²	29	24.9 Å²	24.9	24%	0.24	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-45.7	176.1	0	0	0	0	0	111.5	D495 Y496 T502 G503 M504 A505	D495-A499 PolarHBondContact O-N 3.32Å; Y496-A499 PolarHBondContact O-N 3.39Å; A499-T502 PolarHBondContact O-N 3.19Å; A499-T502 PolarHBondContact O-OG1 2.9Å; A499-G503 PolarHBondContact O-N 2.83Å; A499-M504 HydrophobicContact CB-CB 4.46Å; A499-M504 CarbonylContact O-C 3.59Å; A499-M504 WeakPolarHBondContact O-CA 3.31Å; A499-M504 WeakPolarHBondContact O-CB 2.98Å; A499-M504 PolarHBondContact O-N 2.64Å; A499-A505 PolarHBondContact O-N 3.39Å
500	A	98.4	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-51.7	-179.9	0	0	0	0	0	112.7	A443 L445 I456 Y496 T497 I498 T502 G503 A505	A443-A500 HydrophobicContact CB-CB 3.49Å; A443-A500 VanDerWaalsContact CB-CB 3.49Å; L445-A500 WeakPolarHBondContact CD2-O 3.37Å; I456-A500 HydrophobicContact CG1-CB 3.61Å; Y496-A500 WeakPolarHBondContact O-CB 3.32Å; Y496-A500 PolarHBondContact O-N 2.9Å; T497-A500 PolarHBondContact O-N 3.03Å; I498-A500 VanDerWaalsContact C-N 3.35Å; I498-A500 PolarHBondContact O-N 2.87Å; A500-T502 PolarHBondContact O-N 3.06Å; A500-T502 VanDerWaalsContact O-N 3.12Å; A500-G503 PolarHBondContact O-N 2.83Å; A500-A505 HydrophobicContact CB-CB 3.85Å
501	I	97.6	Very high	98.5	Very high	17 Å²	17	25.2 Å²	25.2	9%	0.087	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-17.2	-178.8	70.8	-171	0	0	0	113.1	Q148 L149 A443 R447 T497	Q148-I501 HydrophobicContact CB-CD1 3.88Å; L149-I501 HydrophobicContact CD1-CD1 4.36Å; A443-I501 HydrophobicContact CB-CG2 4.01Å; R447-I501 WeakPolarHBondContact CD-O 3.48Å; T497-I501 HydrophobicContact CG2-CG2 4.4Å; T497-I501 WeakPolarHBondContact O-CG1 3.49Å; T497-I501 WeakPolarHBondContact O-CG2 3.49Å; T497-I501 PolarHBondContact O-N 3.48Å
502	T	97.9	Very high	98.5	Very high	43 Å²	43	19.6 Å²	19.6	26%	0.264	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.6	173.9	59.3	0	0	0	0	113.3	P21 L149 F448 I498 A499 A500 M504	P21-T502 WeakPolarHBondContact CG-O 3.44Å; L149-T502 HydrophobicContact CD1-CG2 3.6Å; F448-T502 WeakPolarHBondContact CZ-O 3.15Å; I498-T502 HydrophobicContact CG2-CG2 4.46Å; I498-T502 WeakPolarHBondContact O-CB 3.46Å; I498-T502 VanDerWaalsContact O-CG2 3.28Å; I498-T502 WeakPolarHBondContact O-CG2 3.23Å; I498-T502 PolarHBondContact O-N 2.74Å; I498-T502 VanDerWaalsContact O-N 3.12Å; I498-T502 PolarHBondContact O-OG1 2.8Å; A499-T502 PolarHBondContact O-N 3.19Å; A499-T502 PolarHBondContact O-OG1 2.9Å; A500-T502 PolarHBondContact O-N 3.06Å; A500-T502 VanDerWaalsContact O-N 3.12Å; T502-M504 VanDerWaalsContact C-N 3.33Å
503	G	98.1	Very high	98.5	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.031	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	21.1	176.4	0	0	0	0	0	114.3	P23 A499 A500	P23-G503 WeakPolarHBondContact CG-O 3.45Å; A499-G503 PolarHBondContact O-N 2.83Å; A500-G503 PolarHBondContact O-N 2.83Å
504	M	98.6	Very high	98.5	Very high	48 Å²	48	19.9 Å²	19.9	24%	0.236	11%	0.111	C	C	.	.			trans	-108.5	7.8	-177.2	-60.3	-58	-64.2	0	0	113.4	P21 P23 Q27 A499 T502	P21-M504 HydrophobicContact CB-SD 4.4Å; P21-M504 HydrophobicContact CG-SD 4.26Å; P23-M504 HydrophobicContact CB-CE 4.07Å; P23-M504 HydrophobicContact CB-SD 4.47Å; P23-M504 HydrophobicContact CG-SD 4.44Å; Q27-M504 PolarHBondContact NE2-O 3.14Å; Q27-M504 VanDerWaalsContact NE2-O 3.16Å; Q27-M504 VanDerWaalsContact OE1-CE 3.23Å; A499-M504 HydrophobicContact CB-CB 4.46Å; A499-M504 CarbonylContact O-C 3.59Å; A499-M504 WeakPolarHBondContact O-CA 3.31Å; A499-M504 WeakPolarHBondContact O-CB 2.98Å; A499-M504 PolarHBondContact O-N 2.64Å; T502-M504 VanDerWaalsContact C-N 3.33Å
505	A	98.5	Very high	98.5	Very high	9 Å²	9	19.4 Å²	19.4	7%	0.074	11%	0.107	C	C	.	.	S	Bend	trans	-74.6	179.5	169.2	0	0	0	0	0	111.7	D454 A499 A500	D454-A505 HydrophobicContact CB-CB 4.48Å; A499-A505 PolarHBondContact O-N 3.39Å; A500-A505 HydrophobicContact CB-CB 3.85Å
506	I	98.8	Very high	98.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.087	C	C	.	.	S	Bend	trans	-103.8	-28.3	-165.2	66.2	175.8	0	0	0	114.3	T28 T31 Y32 H509 L510	T28-I506 HydrophobicContact CG2-CB 3.96Å; T28-I506 HydrophobicContact CG2-CG2 3.99Å; T31-I506 HydrophobicContact CG2-CG2 3.65Å; Y32-I506 HydrophobicContact CD2-CD1 4.31Å; I506-H509 PolarHBondContact O-N 3.23Å; I506-L510 HydrophobicContact CB-CD1 4.31Å; I506-L510 HydrophobicContact CD1-CD1 4.42Å; I506-L510 HydrophobicContact CG1-CD1 4.45Å; I506-L510 WeakPolarHBondContact O-CB 3.31Å; I506-L510 WeakPolarHBondContact O-CG 3.25Å; I506-L510 PolarHBondContact O-N 3.18Å
507	D	98.8	Very high	98.4	Very high	22 Å²	22	14.1 Å²	14.1	12%	0.118	8%	0.081	C	C	.	.	H	α-helix	trans	-68.4	-52.3	-164.7	-67.9	-126.3	0	0	0	111.5	N455 R457 H509 L510 L511	N455-D507 HydrophobicContact CB-CB 3.89Å; N455-D507 WeakPolarHBondContact CB-OD1 3.23Å; N455-D507 PolarHBondContact ND2-OD1 3.04Å; R457-D507 IonicContact CZ-OD1 2.71Å; R457-D507 VanDerWaalsContact CZ-OD1 3.3Å; R457-D507 IonicContact CZ-OD2 3.43Å; R457-D507 IonicContact NE-OD1 2.85Å; R457-D507 PolarHBondContact NE-OD1 2.86Å; R457-D507 IonicContact NE-OD2 2.85Å; R457-D507 PolarHBondContact NE-OD2 3.38Å; R457-D507 IonicContact NH2-OD1 3.05Å; R457-D507 PolarHBondContact NH2-OD1 3.24Å; R457-D507 IonicContact NH2-OD2 3.59Å; R457-D507 PolarHBondContact NH2-OD2 3.03Å; D507-H509 PolarHBondContact O-N 3.4Å; D507-L510 PolarHBondContact O-N 3.33Å; D507-L511 WeakPolarHBondContact O-CB 3.34Å; D507-L511 PolarHBondContact O-N 2.86Å
508	N	98.8	Very high	98.3	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-36.1	174.1	-81.1	-28.1	0	0	0	112.3	W79 V80 L445 V453 D454 G512	W79-N508 HydrophobicContact CH2-CB 4.33Å; W79-N508 WeakPolarHBondContact CH2-O 3.46Å; W79-N508 WeakPolarHBondContact CZ3-O 3.29Å; V80-N508 HydrophobicContact CG2-CB 3.89Å; L445-N508 WeakPolarHBondContact CD1-ND2 3.48Å; V453-N508 PolarHBondContact O-ND2 3.4Å; D454-N508 WeakPolarHBondContact CA-ND2 3.2Å; D454-N508 WeakPolarHBondContact CB-ND2 3.44Å; D454-N508 PolarHBondContact OD1-N 3.11Å; D454-N508 WeakPolarHBondContact OD2-CB 3.37Å; D454-N508 PolarHBondContact OD2-ND2 3.48Å; D454-N508 VanDerWaalsContact OD2-ND2 3.17Å; N508-G512 PolarHBondContact O-N 2.76Å
509	H	98.9	Very high	98.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-49.8	179.8	-169.4	-165.2	0	0	0	111.9	P23 T28 Q66 L69 I506 D507 L511 G512 L513	P23-H509 HydrophobicContact CG-CB 4.18Å; P23-H509 PolarHBondContact O-CE1 3.33Å; T28-H509 WeakPolarHBondContact CB-ND1 3.33Å; T28-H509 HydrophobicContact CG2-CB 4.24Å; T28-H509 PolarHBondContact OG1-ND1 2.71Å; Q66-H509 PolarHBondContact OE1-CE1 3.42Å; Q66-H509 PolarHBondContact OE1-NE2 2.91Å; L69-H509 VanDerWaalsContact CD2-CD2 3.43Å; L69-H509 WeakPolarHBondContact CD2-CD2 3.35Å; I506-H509 PolarHBondContact O-N 3.23Å; D507-H509 PolarHBondContact O-N 3.4Å; H509-L511 VanDerWaalsContact C-N 3.3Å; H509-L511 PolarHBondContact O-N 2.8Å; H509-G512 WeakPolarHBondContact O-CA 3.46Å; H509-G512 PolarHBondContact O-N 2.82Å; H509-G512 VanDerWaalsContact O-N 3.1Å; H509-L513 WeakPolarHBondContact O-CG 3.38Å; H509-L513 PolarHBondContact O-N 3.16Å
510	L	98.9	Very high	98.1	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-39.4	176.1	-69.8	172.7	0	0	0	111.5	T28 L29 Y32 I506 D507 L513 L514 F528 Y533	T28-L510 HydrophobicContact CG2-CD2 3.87Å; T28-L510 HydrophobicContact CG2-CG 3.85Å; L29-L510 HydrophobicContact CD2-CD2 4.48Å; Y32-L510 HydrophobicContact CD2-CD1 4.07Å; Y32-L510 HydrophobicContact CG-CD1 4.3Å; I506-L510 HydrophobicContact CB-CD1 4.31Å; I506-L510 HydrophobicContact CD1-CD1 4.42Å; I506-L510 HydrophobicContact CG1-CD1 4.45Å; I506-L510 WeakPolarHBondContact O-CB 3.31Å; I506-L510 WeakPolarHBondContact O-CG 3.25Å; I506-L510 PolarHBondContact O-N 3.18Å; D507-L510 PolarHBondContact O-N 3.33Å; L510-L513 PolarHBondContact O-N 3.38Å; L510-L514 WeakPolarHBondContact O-CB 3.28Å; L510-L514 PolarHBondContact O-N 2.73Å; L510-F528 HydrophobicContact CB-CE1 4.43Å; L510-F528 HydrophobicContact CD2-CE1 4.48Å; L510-F528 WeakPolarHBondContact O-CE1 3.23Å; L510-Y533 HydrophobicContact CB-CE2 4.23Å; L510-Y533 HydrophobicContact CD1-CE2 4.25Å
511	L	98.8	Very high	98.1	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-45.1	172.2	176.9	62	0	0	0	111.5	W84 D87 D507 H509 L513 L514 K515	W84-L511 HydrophobicContact CB-CD2 4.4Å; D87-L511 HydrophobicContact CB-CD1 3.94Å; D87-L511 HydrophobicContact CB-CD2 3.94Å; D507-L511 WeakPolarHBondContact O-CB 3.34Å; D507-L511 PolarHBondContact O-N 2.86Å; H509-L511 VanDerWaalsContact C-N 3.3Å; H509-L511 PolarHBondContact O-N 2.8Å; L511-L513 PolarHBondContact O-N 3.47Å; L511-L514 PolarHBondContact O-N 2.93Å; L511-K515 HydrophobicContact CD1-CD 4.46Å; L511-K515 HydrophobicContact CD1-CG 3.92Å; L511-K515 HydrophobicContact CG-CG 4.33Å; L511-K515 WeakPolarHBondContact O-CG 3.39Å; L511-K515 PolarHBondContact O-N 2.85Å
512	G	98.6	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-48.3	175.8	0	0	0	0	0	112.5	N508 H509 L514 K515 V516	N508-G512 PolarHBondContact O-N 2.76Å; H509-G512 WeakPolarHBondContact O-CA 3.46Å; H509-G512 PolarHBondContact O-N 2.82Å; H509-G512 VanDerWaalsContact O-N 3.1Å; G512-L514 PolarHBondContact O-N 2.94Å; G512-K515 PolarHBondContact O-N 3.22Å; G512-V516 WeakPolarHBondContact O-CB 3.31Å; G512-V516 VanDerWaalsContact O-CG2 3.26Å; G512-V516 WeakPolarHBondContact O-CG2 3.39Å; G512-V516 PolarHBondContact O-N 3.36Å
513	L	98.8	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-43.8	176.8	-63.5	173.8	0	0	0	111.5	L25 F55 L65 L69 H509 L510 L511 V516 S517 F528	L25-L513 HydrophobicContact CD1-CD1 3.75Å; F55-L513 HydrophobicContact CE1-CD1 4.27Å; F55-L513 HydrophobicContact CZ-CD1 4.44Å; L65-L513 HydrophobicContact CB-CB 4.47Å; L65-L513 HydrophobicContact CB-CD2 3.68Å; L65-L513 HydrophobicContact CD1-CB 4.45Å; L69-L513 HydrophobicContact CD2-CD2 4.21Å; L69-L513 HydrophobicContact CD2-CG 4.5Å; H509-L513 WeakPolarHBondContact O-CG 3.38Å; H509-L513 PolarHBondContact O-N 3.16Å; L510-L513 PolarHBondContact O-N 3.38Å; L511-L513 PolarHBondContact O-N 3.47Å; L513-V516 PolarHBondContact O-N 2.81Å; L513-S517 PolarHBondContact O-N 3.39Å; L513-F528 HydrophobicContact CB-CZ 3.86Å
514	L	98.6	Very high	97.9	Very high	14 Å²	14	43 Å²	43	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-48.8	175.7	172.7	59.2	0	0	0	111.8	L510 L511 G512 S517 K518 K524 F528	L510-L514 WeakPolarHBondContact O-CB 3.28Å; L510-L514 PolarHBondContact O-N 2.73Å; L511-L514 PolarHBondContact O-N 2.93Å; G512-L514 PolarHBondContact O-N 2.94Å; L514-S517 PolarHBondContact O-N 3.09Å; L514-S517 PolarHBondContact O-OG 2.82Å; L514-K518 PolarHBondContact O-N 2.6Å; L514-K524 HydrophobicContact CD1-CG 4.24Å; L514-F528 HydrophobicContact CB-CD1 4.11Å; L514-F528 HydrophobicContact CB-CD2 4.12Å; L514-F528 HydrophobicContact CB-CE1 3.97Å; L514-F528 HydrophobicContact CB-CE2 3.98Å; L514-F528 HydrophobicContact CB-CG 4.18Å; L514-F528 HydrophobicContact CB-CZ 3.91Å; L514-F528 HydrophobicContact CD1-CB 3.96Å; L514-F528 HydrophobicContact CD1-CD2 3.75Å; L514-F528 HydrophobicContact CD1-CE2 4.38Å; L514-F528 HydrophobicContact CD1-CG 3.83Å; L514-F528 HydrophobicContact CG-CD2 4.5Å; L514-F528 HydrophobicContact CG-CG 4.42Å
515	K	98	Very high	97.9	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-37.3	-178.6	-67	-75.1	-170.5	175	0	111.8	Y83 E86 L511 G512 S517 K518 Q519	Y83-K515 HydrophobicContact CD1-CB 3.78Å; Y83-K515 HydrophobicContact CD1-CD 4.49Å; Y83-K515 HydrophobicContact CD1-CG 4Å; Y83-K515 HydrophobicContact CD2-CB 3.87Å; Y83-K515 HydrophobicContact CD2-CG 4.27Å; Y83-K515 HydrophobicContact CE1-CB 4.01Å; Y83-K515 HydrophobicContact CE2-CB 4.07Å; Y83-K515 HydrophobicContact CG-CB 3.74Å; Y83-K515 HydrophobicContact CG-CG 3.79Å; E86-K515 IonicContact OE1-NZ 3.18Å; E86-K515 PolarHBondContact OE1-NZ 3.18Å; E86-K515 IonicContact OE2-NZ 3.68Å; L511-K515 HydrophobicContact CD1-CD 4.46Å; L511-K515 HydrophobicContact CD1-CG 3.92Å; L511-K515 HydrophobicContact CG-CG 4.33Å; L511-K515 WeakPolarHBondContact O-CG 3.39Å; L511-K515 PolarHBondContact O-N 2.85Å; G512-K515 PolarHBondContact O-N 3.22Å; K515-S517 VanDerWaalsContact C-N 3.34Å; K515-S517 PolarHBondContact O-N 3.04Å; K515-K518 WeakPolarHBondContact O-CB 3.48Å; K515-K518 PolarHBondContact O-N 2.83Å; K515-Q519 WeakPolarHBondContact O-CG 3.44Å; K515-Q519 PolarHBondContact O-N 3.21Å
516	V	97.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-39.9	172.7	167.5	0	0	0	0	111.4	L65 K68 L69 Y83 G512 L513 K518 Q519 L520	L65-V516 HydrophobicContact CD2-CB 4.43Å; L65-V516 HydrophobicContact CD2-CG1 3.83Å; K68-V516 HydrophobicContact CB-CG1 3.63Å; K68-V516 HydrophobicContact CG-CG1 3.48Å; K68-V516 VanDerWaalsContact CG-CG1 3.48Å; L69-V516 HydrophobicContact CD1-CG2 3.82Å; Y83-V516 HydrophobicContact CE2-CG2 4.45Å; G512-V516 WeakPolarHBondContact O-CB 3.31Å; G512-V516 VanDerWaalsContact O-CG2 3.26Å; G512-V516 WeakPolarHBondContact O-CG2 3.39Å; G512-V516 PolarHBondContact O-N 3.36Å; L513-V516 PolarHBondContact O-N 2.81Å; V516-K518 VanDerWaalsContact C-N 3.27Å; V516-K518 PolarHBondContact O-N 3.46Å; V516-Q519 WeakPolarHBondContact O-CB 3.37Å; V516-Q519 PolarHBondContact O-N 3.25Å; V516-Q519 VanDerWaalsContact O-N 3.14Å; V516-L520 HydrophobicContact CG1-CD1 4.02Å; V516-L520 HydrophobicContact CG1-CG 4.41Å; V516-L520 WeakPolarHBondContact O-CG 3.49Å; V516-L520 PolarHBondContact O-N 3.43Å
517	S	98.1	Very high	97.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-39.2	176.3	75.8	0	0	0	0	112	L513 L514 K515 L520 N521 M522 P525	L513-S517 PolarHBondContact O-N 3.39Å; L514-S517 PolarHBondContact O-N 3.09Å; L514-S517 PolarHBondContact O-OG 2.82Å; K515-S517 VanDerWaalsContact C-N 3.34Å; K515-S517 PolarHBondContact O-N 3.04Å; S517-L520 PolarHBondContact O-N 2.91Å; S517-N521 PolarHBondContact O-N 3.48Å; S517-M522 WeakPolarHBondContact O-CB 3.45Å; S517-M522 PolarHBondContact O-N 2.86Å; S517-P525 WeakPolarHBondContact OG-CD 3.35Å
518	K	96.4	Very high	97.8	Very high	116 Å²	116	44.2 Å²	44.2	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-43	173.9	-66.4	179	177.3	-178.8	0	112.1	L514 K515 V516 L520 N521	L514-K518 PolarHBondContact O-N 2.6Å; K515-K518 WeakPolarHBondContact O-CB 3.48Å; K515-K518 PolarHBondContact O-N 2.83Å; V516-K518 VanDerWaalsContact C-N 3.27Å; V516-K518 PolarHBondContact O-N 3.46Å; K518-L520 PolarHBondContact O-N 2.93Å; K518-N521 PolarHBondContact O-N 2.88Å
519	Q	95.8	Very high	97.8	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-31.3	177.6	-73.3	176.3	-8.7	0	0	113.3	Y83 K515 V516 N521	Y83-Q519 VanDerWaalsContact CE1-NE2 3.28Å; Y83-Q519 VanDerWaalsContact OH-CD 3.31Å; Y83-Q519 PolarHBondContact OH-NE2 3.49Å; Y83-Q519 PolarHBondContact OH-OE1 2.88Å; Y83-Q519 VanDerWaalsContact OH-OE1 3.12Å; K515-Q519 WeakPolarHBondContact O-CG 3.44Å; K515-Q519 PolarHBondContact O-N 3.21Å; V516-Q519 WeakPolarHBondContact O-CB 3.37Å; V516-Q519 PolarHBondContact O-N 3.25Å; V516-Q519 VanDerWaalsContact O-N 3.14Å; Q519-N521 PolarHBondContact O-N 3.35Å
520	L	96.6	Very high	97.8	Very high	70 Å²	70	48 Å²	48	37%	0.366	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.2	175.4	-64.4	175.5	0	0	0	112.7	L65 K68 V516 S517 K518 M522	L65-L520 HydrophobicContact CD2-CD1 4.05Å; K68-L520 HydrophobicContact CB-CD1 4.5Å; K68-L520 HydrophobicContact CG-CD1 4.33Å; K68-L520 HydrophobicContact CG-CD2 4.44Å; V516-L520 HydrophobicContact CG1-CD1 4.02Å; V516-L520 HydrophobicContact CG1-CG 4.41Å; V516-L520 WeakPolarHBondContact O-CG 3.49Å; V516-L520 PolarHBondContact O-N 3.43Å; S517-L520 PolarHBondContact O-N 2.91Å; K518-L520 PolarHBondContact O-N 2.93Å; L520-M522 HydrophobicContact CB-CG 3.8Å; L520-M522 HydrophobicContact CB-SD 4.04Å; L520-M522 HydrophobicContact CD1-SD 4Å; L520-M522 PolarHBondContact O-N 2.81Å
521	N	96.9	Very high	97.7	Very high	153 Å²	153	54.5 Å²	54.5	82%	0.818	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34	-175	-58.9	-53.5	0	0	0	113	S517 K518 Q519	S517-N521 PolarHBondContact O-N 3.48Å; K518-N521 PolarHBondContact O-N 2.88Å; Q519-N521 PolarHBondContact O-N 3.35Å
522	M	96.6	Very high	97.7	Very high	64 Å²	64	54 Å²	54	32%	0.315	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-77.8	151.6	175.6	-61.3	177	70	0	0	110	V61 L65 S517 L520 K524	V61-M522 HydrophobicContact CG1-CE 3.72Å; V61-M522 HydrophobicContact CG2-CE 4.44Å; L65-M522 HydrophobicContact CD2-SD 3.87Å; S517-M522 WeakPolarHBondContact O-CB 3.45Å; S517-M522 PolarHBondContact O-N 2.86Å; L520-M522 HydrophobicContact CB-CG 3.8Å; L520-M522 HydrophobicContact CB-SD 4.04Å; L520-M522 HydrophobicContact CD1-SD 4Å; L520-M522 PolarHBondContact O-N 2.81Å; M522-K524 PolarHBondContact O-N 3.08Å
523	E	95.9	Very high	97.7	Very high	184 Å²	184	54.9 Å²	54.9	86%	0.86	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-56.5	139.6	160.6	-172.4	177	-176.2	0	0	109	P525	E523-P525 WeakPolarHBondContact O-CD 3.46Å; E523-P525 VanDerWaalsContact O-N 3.11Å
524	K	97.4	Very high	97.7	Very high	92 Å²	92	59.3 Å²	59.3	40%	0.4	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-57.8	118.2	-175.9	-176.2	177.8	169.7	-161.8	0	109.3	L514 M522 F528 C529	L514-K524 HydrophobicContact CD1-CG 4.24Å; M522-K524 PolarHBondContact O-N 3.08Å; K524-F528 HydrophobicContact CD-CB 4.49Å; K524-F528 VanDerWaalsContact CE-C 3.49Å; K524-F528 VanDerWaalsContact CE-CB 3.44Å; K524-F528 WeakPolarHBondContact CE-O 3.32Å; K524-F528 HydrophobicContact CG-CB 4.2Å; K524-F528 PolarHBondContact NZ-O 3.15Å; K524-C529 VanDerWaalsContact CD-SG 3.54Å
525	P	98.2	Very high	97.6	Very high	13 Å²	13	61 Å²	61	8%	0.084	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-56.7	141.5	-177.3	-27.2	33.2	0	0	0	112.9	F55 V61 L65 S517 E523 I527 F528	F55-P525 HydrophobicContact CD2-CB 4.2Å; F55-P525 HydrophobicContact CE2-CB 3.86Å; F55-P525 HydrophobicContact CE2-CG 4.33Å; V61-P525 HydrophobicContact CG1-CB 4.4Å; V61-P525 HydrophobicContact CG1-CG 4.06Å; L65-P525 HydrophobicContact CD1-CG 4.13Å; S517-P525 WeakPolarHBondContact OG-CD 3.35Å; E523-P525 WeakPolarHBondContact O-CD 3.46Å; E523-P525 VanDerWaalsContact O-N 3.11Å; P525-I527 HydrophobicContact CB-CG2 4.16Å; P525-I527 PolarHBondContact O-N 2.74Å; P525-I527 VanDerWaalsContact O-N 3.13Å; P525-F528 HydrophobicContact CB-CD2 3.78Å; P525-F528 HydrophobicContact CB-CE2 4.04Å; P525-F528 HydrophobicContact CG-CD2 3.92Å; P525-F528 HydrophobicContact CG-CE2 3.98Å; P525-F528 PolarHBondContact O-N 2.98Å
526	E	97.9	Very high	97.7	Very high	96 Å²	96	60.8 Å²	60.8	45%	0.449	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-51	-39.7	-174.2	-170.3	176.7	179.3	0	0	113.2	I51 K54 F528 C529 D530	I51-E526 HydrophobicContact CD1-CG 4.21Å; I51-E526 HydrophobicContact CG1-CG 4.16Å; I51-E526 HydrophobicContact CG2-CB 4.09Å; I51-E526 HydrophobicContact CG2-CG 3.92Å; K54-E526 IonicContact NZ-OE2 2.93Å; K54-E526 PolarHBondContact NZ-OE2 3.01Å; E526-F528 PolarHBondContact O-N 3.36Å; E526-F528 VanDerWaalsContact O-N 3.15Å; E526-C529 PolarHBondContact O-N 3.28Å; E526-D530 PolarHBondContact O-N 3.07Å
527	I	98.4	Very high	97.7	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-53.5	-35	175.5	-171.7	175.5	0	0	0	113.2	L29 I51 V52 F55 P525 C529 Y533	L29-I527 HydrophobicContact CD2-CD1 3.93Å; I51-I527 HydrophobicContact CG2-CB 4.01Å; V52-I527 HydrophobicContact CG2-CD1 3.88Å; V52-I527 HydrophobicContact CG2-CG1 4.23Å; F55-I527 HydrophobicContact CD1-CD1 4.06Å; F55-I527 HydrophobicContact CD1-CG2 4.34Å; F55-I527 HydrophobicContact CD2-CB 4.47Å; F55-I527 HydrophobicContact CD2-CG2 3.68Å; F55-I527 HydrophobicContact CE1-CD1 4.44Å; F55-I527 HydrophobicContact CE1-CG2 4.41Å; F55-I527 HydrophobicContact CE2-CG2 3.76Å; F55-I527 HydrophobicContact CG-CB 4.41Å; F55-I527 HydrophobicContact CG-CD1 4.39Å; F55-I527 HydrophobicContact CG-CG2 3.97Å; F55-I527 HydrophobicContact CZ-CG2 4.13Å; P525-I527 HydrophobicContact CB-CG2 4.16Å; P525-I527 PolarHBondContact O-N 2.74Å; P525-I527 VanDerWaalsContact O-N 3.13Å; I527-C529 VanDerWaalsContact C-N 3.35Å; I527-Y533 WeakPolarHBondContact O-CB 3.4Å
528	F	98.5	Very high	97.7	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-87.8	-7.3	-178.4	-55.6	-57.8	0	0	0	113.1	F55 L510 L513 L514 K524 P525 E526 Y533	F55-F528 HydrophobicContact CE2-CE2 4.4Å; F55-F528 HydrophobicContact CZ-CE2 4.35Å; F55-F528 HydrophobicContact CZ-CZ 4.33Å; L510-F528 HydrophobicContact CB-CE1 4.43Å; L510-F528 HydrophobicContact CD2-CE1 4.48Å; L510-F528 WeakPolarHBondContact O-CE1 3.23Å; L513-F528 HydrophobicContact CB-CZ 3.86Å; L514-F528 HydrophobicContact CB-CD1 4.11Å; L514-F528 HydrophobicContact CB-CD2 4.12Å; L514-F528 HydrophobicContact CB-CE1 3.97Å; L514-F528 HydrophobicContact CB-CE2 3.98Å; L514-F528 HydrophobicContact CB-CG 4.18Å; L514-F528 HydrophobicContact CB-CZ 3.91Å; L514-F528 HydrophobicContact CD1-CB 3.96Å; L514-F528 HydrophobicContact CD1-CD2 3.75Å; L514-F528 HydrophobicContact CD1-CE2 4.38Å; L514-F528 HydrophobicContact CD1-CG 3.83Å; L514-F528 HydrophobicContact CG-CD2 4.5Å; L514-F528 HydrophobicContact CG-CG 4.42Å; K524-F528 HydrophobicContact CD-CB 4.49Å; K524-F528 VanDerWaalsContact CE-C 3.49Å; K524-F528 VanDerWaalsContact CE-CB 3.44Å; K524-F528 WeakPolarHBondContact CE-O 3.32Å; K524-F528 HydrophobicContact CG-CB 4.2Å; K524-F528 PolarHBondContact NZ-O 3.15Å; P525-F528 HydrophobicContact CB-CD2 3.78Å; P525-F528 HydrophobicContact CB-CE2 4.04Å; P525-F528 HydrophobicContact CG-CD2 3.92Å; P525-F528 HydrophobicContact CG-CE2 3.98Å; P525-F528 PolarHBondContact O-N 2.98Å; E526-F528 PolarHBondContact O-N 3.36Å; E526-F528 VanDerWaalsContact O-N 3.15Å; F528-Y533 HydrophobicContact CB-CD1 4.31Å; F528-Y533 HydrophobicContact CB-CE1 4.19Å; F528-Y533 HydrophobicContact CD1-CD1 4.29Å; F528-Y533 HydrophobicContact CD1-CD2 4.22Å; F528-Y533 AromaticContact CD1-CE1 3.84Å; F528-Y533 HydrophobicContact CD1-CE1 3.84Å; F528-Y533 AromaticContact CD1-CE2 3.76Å; F528-Y533 HydrophobicContact CD1-CE2 3.76Å; F528-Y533 HydrophobicContact CD1-CG 4.46Å; F528-Y533 AromaticContact CD1-CZ 3.54Å; F528-Y533 HydrophobicContact CE1-CE2 4.13Å
529	C	98.1	Very high	97.8	Very high	66 Å²	66	62.8 Å²	62.8	45%	0.446	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-17.7	172.7	-63.5	0	0	0	0	112	K524 E526 I527 E531	K524-C529 VanDerWaalsContact CD-SG 3.54Å; E526-C529 PolarHBondContact O-N 3.28Å; I527-C529 VanDerWaalsContact C-N 3.35Å; C529-E531 PolarHBondContact O-N 3.25Å
530	D	98.4	Very high	97.9	Very high	20 Å²	20	59 Å²	59	11%	0.107	30%	0.304	C	S	.	.	S	Bend	trans	-55.1	134.1	176.8	-176.4	23.1	0	0	0	111.7	T48 I51 E526 T532 Y533 L534	T48-D530 VanDerWaalsContact CB-OD2 3.26Å; T48-D530 WeakPolarHBondContact CB-OD2 3.33Å; T48-D530 VanDerWaalsContact CG2-OD2 3.23Å; T48-D530 WeakPolarHBondContact CG2-OD2 3.4Å; T48-D530 PolarHBondContact OG1-OD2 3.48Å; I51-D530 HydrophobicContact CD1-CB 4.17Å; E526-D530 PolarHBondContact O-N 3.07Å; D530-T532 PolarHBondContact O-N 2.92Å; D530-T532 PolarHBondContact OD1-N 3.49Å; D530-T532 WeakPolarHBondContact OD2-CB 3.42Å; D530-Y533 WeakPolarHBondContact O-CB 3.43Å; D530-Y533 PolarHBondContact O-N 2.75Å; D530-L534 PolarHBondContact O-N 3.33Å; D530-L534 VanDerWaalsContact O-N 3.12Å
531	E	98.2	Very high	98	Very high	141 Å²	141	55.7 Å²	55.7	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-56.7	-34.6	179.3	-68.3	-179.4	178.8	0	0	111.2	C529 L534 A535	C529-E531 PolarHBondContact O-N 3.25Å; E531-L534 PolarHBondContact O-N 2.62Å; E531-A535 VanDerWaalsContact O-CB 3.26Å; E531-A535 WeakPolarHBondContact O-CB 3.32Å; E531-A535 PolarHBondContact O-N 3.44Å
532	T	98.5	Very high	98.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-66.9	-38.1	177.1	-55.5	0	0	0	0	112.1	V36 V40 Q44 T48 D530 S536	V36-T532 HydrophobicContact CB-CG2 3.6Å; V36-T532 HydrophobicContact CG1-CG2 3.9Å; V36-T532 HydrophobicContact CG2-CG2 3.64Å; V40-T532 HydrophobicContact CG1-CG2 3.84Å; V40-T532 HydrophobicContact CG2-CG2 4.49Å; Q44-T532 WeakPolarHBondContact CG-OG1 3.44Å; Q44-T532 PolarHBondContact NE2-OG1 3.17Å; T48-T532 HydrophobicContact CG2-CG2 4.01Å; T48-T532 WeakPolarHBondContact OG1-CB 2.86Å; T48-T532 PolarHBondContact OG1-OG1 3.27Å; D530-T532 PolarHBondContact O-N 2.92Å; D530-T532 PolarHBondContact OD1-N 3.49Å; D530-T532 WeakPolarHBondContact OD2-CB 3.42Å; T532-S536 WeakPolarHBondContact O-CB 3.33Å; T532-S536 PolarHBondContact O-N 3.02Å; T532-S536 PolarHBondContact O-OG 2.8Å
533	Y	98.7	Very high	98.2	Very high	19 Å²	19	45.8 Å²	45.8	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-45.5	175.1	177	-96.9	0	0	0	111	Y32 L510 I527 F528 D530 S536 N537	Y32-Y533 HydrophobicContact CE2-CD2 4.44Å; Y32-Y533 VanDerWaalsContact OH-CA 3.25Å; Y32-Y533 WeakPolarHBondContact OH-CA 3.44Å; Y32-Y533 PolarHBondContact OH-N 3.42Å; Y32-Y533 VanDerWaalsContact OH-N 3.11Å; L510-Y533 HydrophobicContact CB-CE2 4.23Å; L510-Y533 HydrophobicContact CD1-CE2 4.25Å; I527-Y533 WeakPolarHBondContact O-CB 3.4Å; F528-Y533 HydrophobicContact CB-CD1 4.31Å; F528-Y533 HydrophobicContact CB-CE1 4.19Å; F528-Y533 HydrophobicContact CD1-CD1 4.29Å; F528-Y533 HydrophobicContact CD1-CD2 4.22Å; F528-Y533 AromaticContact CD1-CE1 3.84Å; F528-Y533 HydrophobicContact CD1-CE1 3.84Å; F528-Y533 AromaticContact CD1-CE2 3.76Å; F528-Y533 HydrophobicContact CD1-CE2 3.76Å; F528-Y533 HydrophobicContact CD1-CG 4.46Å; F528-Y533 AromaticContact CD1-CZ 3.54Å; F528-Y533 HydrophobicContact CE1-CE2 4.13Å; D530-Y533 WeakPolarHBondContact O-CB 3.43Å; D530-Y533 PolarHBondContact O-N 2.75Å; Y533-S536 PolarHBondContact O-N 3.17Å; Y533-S536 PolarHBondContact O-OG 2.87Å; Y533-N537 WeakPolarHBondContact CE1-ND2 3.21Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.46Å; Y533-N537 PolarHBondContact O-N 3.45Å; Y533-N537 PolarHBondContact O-ND2 3.04Å; Y533-N537 VanDerWaalsContact O-ND2 3.17Å
534	L	98.3	Very high	98.3	Very high	93 Å²	93	37.7 Å²	37.7	49%	0.487	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-49.4	177.1	-60.7	177	0	0	0	111.2	D530 E531 S536 N537 H538	D530-L534 PolarHBondContact O-N 3.33Å; D530-L534 VanDerWaalsContact O-N 3.12Å; E531-L534 PolarHBondContact O-N 2.62Å; L534-S536 VanDerWaalsContact C-N 3.28Å; L534-S536 PolarHBondContact O-N 2.95Å; L534-N537 PolarHBondContact O-N 2.86Å; L534-N537 VanDerWaalsContact O-N 3.16Å; L534-H538 PolarHBondContact O-N 3.15Å
535	A	97.9	Very high	98.4	Very high	50 Å²	50	36.5 Å²	36.5	41%	0.413	20%	0.195	S	C	.	.	H	α-helix	trans	-63	-33.8	176.7	0	0	0	0	0	112.6	E531 N537 H538	E531-A535 VanDerWaalsContact O-CB 3.26Å; E531-A535 WeakPolarHBondContact O-CB 3.32Å; E531-A535 PolarHBondContact O-N 3.44Å; A535-N537 PolarHBondContact O-N 2.99Å; A535-H538 WeakPolarHBondContact O-CB 3.37Å; A535-H538 PolarHBondContact O-N 2.93Å; A535-H538 VanDerWaalsContact O-N 3.14Å
536	S	98.1	Very high	98.3	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-22.8	177.6	79.5	0	0	0	0	113.2	S438 R457 T532 Y533 L534 F539	S438-S536 PolarHBondContact OG-O 2.89Å; R457-S536 PolarHBondContact NH1-O 3.24Å; R457-S536 PolarHBondContact NH2-O 2.89Å; T532-S536 WeakPolarHBondContact O-CB 3.33Å; T532-S536 PolarHBondContact O-N 3.02Å; T532-S536 PolarHBondContact O-OG 2.8Å; Y533-S536 PolarHBondContact O-N 3.17Å; Y533-S536 PolarHBondContact O-OG 2.87Å; L534-S536 VanDerWaalsContact C-N 3.28Å; L534-S536 PolarHBondContact O-N 2.95Å; S536-F539 WeakPolarHBondContact O-CE1 3.25Å
537	N	98.3	Very high	98.2	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4	175.5	-62.3	-46	0	0	0	112.6	R457 Y533 L534 A535 F539	R457-N537 PolarHBondContact NH2-OD1 3.48Å; R457-N537 VanDerWaalsContact NH2-OD1 3.11Å; Y533-N537 WeakPolarHBondContact CE1-ND2 3.21Å; Y533-N537 WeakPolarHBondContact CE2-ND2 3.46Å; Y533-N537 PolarHBondContact O-N 3.45Å; Y533-N537 PolarHBondContact O-ND2 3.04Å; Y533-N537 VanDerWaalsContact O-ND2 3.17Å; L534-N537 PolarHBondContact O-N 2.86Å; L534-N537 VanDerWaalsContact O-N 3.16Å; A535-N537 PolarHBondContact O-N 2.99Å; N537-F539 PolarHBondContact O-N 3.3Å
538	H	98.2	Very high	98	Very high	73 Å²	73	34.3 Å²	34.3	34%	0.338	19%	0.188	S	C	.	.			trans	-88.9	79.8	172.1	-167.5	88.8	0	0	0	110	L534 A535 T540 N562	L534-H538 PolarHBondContact O-N 3.15Å; A535-H538 WeakPolarHBondContact O-CB 3.37Å; A535-H538 PolarHBondContact O-N 2.93Å; A535-H538 VanDerWaalsContact O-N 3.14Å; H538-T540 PolarHBondContact O-N 2.92Å; H538-T540 PolarHBondContact O-OG1 3.23Å; H538-N562 PolarHBondContact NE2-OD1 3.3Å
539	F	98.6	Very high	97.8	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.136	21%	0.214	C	C	.	.			trans	-73.2	85.1	-172.4	-55.9	-60.1	0	0	0	112.4	S438 Y440 N455 S536 N537 L541 V559 V560	S438-F539 WeakPolarHBondContact OG-CD1 3.45Å; Y440-F539 HydrophobicContact CD2-CD2 4.27Å; Y440-F539 HydrophobicContact CD2-CE1 4.49Å; Y440-F539 HydrophobicContact CD2-CE2 4.03Å; Y440-F539 HydrophobicContact CD2-CZ 4.15Å; Y440-F539 HydrophobicContact CG-CD2 4.45Å; Y440-F539 HydrophobicContact CG-CG 4.48Å; N455-F539 WeakPolarHBondContact ND2-CE1 3.36Å; S536-F539 WeakPolarHBondContact O-CE1 3.25Å; N537-F539 PolarHBondContact O-N 3.3Å; F539-L541 PolarHBondContact O-N 3.44Å; F539-V559 HydrophobicContact CB-CG2 3.92Å; F539-V559 WeakPolarHBondContact O-CG2 3.45Å; F539-V560 WeakPolarHBondContact O-CG2 3.3Å
540	T	98.5	Very high	97.5	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.074	20%	0.201	C	C	.	.	S	Bend	trans	-65.9	-24.5	179.2	-51.7	0	0	0	0	111.8	F429 V437 S438 H538 N562 G563 Y564	F429-T540 HydrophobicContact CE2-CG2 4.07Å; F429-T540 HydrophobicContact CZ-CG2 3.94Å; V437-T540 HydrophobicContact CB-CG2 4.29Å; V437-T540 HydrophobicContact CG1-CG2 4.16Å; V437-T540 HydrophobicContact CG2-CG2 4.12Å; S438-T540 PolarHBondContact O-N 3Å; H538-T540 PolarHBondContact O-N 2.92Å; H538-T540 PolarHBondContact O-OG1 3.23Å; T540-N562 WeakPolarHBondContact CG2-O 3.49Å; T540-G563 CarbonylContact O-C 3.59Å; T540-G563 WeakPolarHBondContact O-CA 3.46Å; T540-Y564 PolarHBondContact O-N 3Å
541	L	98.8	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	111.1	169.2	-179.5	59.9	0	0	0	108.5	L425 F429 V437 S438 T439 Y440 F539 T543 A566 F593	L425-L541 HydrophobicContact CB-CD2 4.43Å; F429-L541 HydrophobicContact CB-CD2 4.41Å; F429-L541 HydrophobicContact CD2-CB 4.39Å; F429-L541 HydrophobicContact CD2-CD2 4.37Å; V437-L541 HydrophobicContact CG2-CB 4.2Å; S438-L541 PolarHBondContact O-N 3.5Å; T439-L541 CarbonylContact C-O 3.5Å; T439-L541 VanDerWaalsContact CA-O 3.24Å; T439-L541 WeakPolarHBondContact CA-O 3.44Å; T439-L541 HydrophobicContact CG2-CB 4.15Å; T439-L541 HydrophobicContact CG2-CD2 4.03Å; T439-L541 HydrophobicContact CG2-CG 4.01Å; T439-L541 WeakPolarHBondContact CG2-O 3.21Å; Y440-L541 PolarHBondContact N-O 3.48Å; F539-L541 PolarHBondContact O-N 3.44Å; L541-T543 HydrophobicContact CD1-CG2 3.97Å; L541-T543 HydrophobicContact CD2-CG2 4.32Å; L541-T543 HydrophobicContact CG-CG2 3.7Å; L541-A566 HydrophobicContact CD1-CB 4.34Å; L541-F593 HydrophobicContact CD1-CZ 4.13Å
542	S	98.8	Very high	97.1	Very high	8 Å²	8	37.1 Å²	37.1	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	178.5	-176.7	0	0	0	0	110.3	Y564 G565 A566	S542-Y564 PolarHBondContact N-O 3.48Å; S542-G565 CarbonylContact O-C 3.38Å; S542-G565 WeakPolarHBondContact O-CA 3.32Å; S542-A566 PolarHBondContact O-N 2.91Å
543	T	98.8	Very high	97.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155	-167	74.6	0	0	0	0	112.2	Q422 L425 T439 Y440 E441 S442 L541 Y556 A566	Q422-T543 PolarHBondContact NE2-OG1 3.29Å; L425-T543 HydrophobicContact CD1-CG2 4.11Å; T439-T543 HydrophobicContact CG2-CG2 4.27Å; Y440-T543 PolarHBondContact O-N 2.89Å; Y440-T543 PolarHBondContact O-OG1 2.89Å; E441-T543 WeakPolarHBondContact CA-O 3.35Å; E441-T543 WeakPolarHBondContact CB-OG1 3.44Å; S442-T543 PolarHBondContact N-O 3.34Å; L541-T543 HydrophobicContact CD1-CG2 3.97Å; L541-T543 HydrophobicContact CD2-CG2 4.32Å; L541-T543 HydrophobicContact CG-CG2 3.7Å; T543-Y556 VanDerWaalsContact C-OH 3.26Å; T543-A566 VanDerWaalsContact CA-O 3.24Å; T543-A566 WeakPolarHBondContact CA-O 3.49Å; T543-A566 HydrophobicContact CG2-CB 4.28Å
544	S	98.4	Very high	97.1	Very high	13 Å²	13	37 Å²	37	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	144.7	170.4	65.9	0	0	0	0	111.1	S442 Y556 A566 C567 Y568	S442-S544 VanDerWaalsContact OG-CB 3.31Å; S442-S544 WeakPolarHBondContact OG-CB 3.14Å; S544-Y556 WeakPolarHBondContact CB-OH 3.48Å; S544-Y556 PolarHBondContact N-OH 3.33Å; S544-Y556 WeakPolarHBondContact OG-CE1 3.49Å; S544-Y556 PolarHBondContact OG-OH 2.97Å; S544-A566 PolarHBondContact N-O 3.21Å; S544-C567 WeakPolarHBondContact O-CA 3.37Å; S544-Y568 WeakPolarHBondContact O-CD1 3.34Å; S544-Y568 PolarHBondContact O-N 3.47Å
545	Q	98.1	Very high	97.1	Very high	68 Å²	68	32.6 Å²	32.6	32%	0.318	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.9	168.4	-167.8	-172.2	24.4	0	0	109.6	D418 P547 Y568 P570	D418-Q545 PolarHBondContact OD1-OE1 2.96Å; Q545-P547 WeakPolarHBondContact O-CD 3.36Å; Q545-Y568 HydrophobicContact CB-CD2 4.18Å; Q545-Y568 HydrophobicContact CB-CE2 3.49Å; Q545-Y568 VanDerWaalsContact CB-CE2 3.49Å; Q545-Y568 HydrophobicContact CG-CD2 3.97Å; Q545-Y568 HydrophobicContact CG-CE2 3.55Å; Q545-P570 HydrophobicContact CG-CG 4.29Å
546	V	97.3	Very high	97.1	Very high	10 Å²	10	31.6 Å²	31.6	6%	0.061	17%	0.165	C	C	.	.			trans	-124.2	82.2	175.2	-172.5	0	0	0	0	109.2	M104 V337 C554 C567 Y568	M104-V546 HydrophobicContact CE-CG1 3.88Å; V337-V546 HydrophobicContact CG2-CG1 3.36Å; V546-C554 HydrophobicContact CB-CB 3.79Å; V546-C554 HydrophobicContact CG1-CB 3.7Å; V546-C554 HydrophobicContact CG2-CB 3.95Å; V546-C567 VanDerWaalsContact CG2-SG 3.55Å; V546-Y568 PolarHBondContact N-O 2.9Å
547	P	94.7	Very high	97.1	Very high	49 Å²	49	31.4 Å²	31.4	32%	0.318	16%	0.164	S	C	.	.			trans	-76.7	134.8	-174.5	30.9	-32.4	0	0	0	111.1	Q545 N569	Q545-P547 WeakPolarHBondContact O-CD 3.36Å; P547-N569 WeakPolarHBondContact CA-OD1 3.3Å
548	T	95.9	Very high	97.2	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.031	15%	0.15	C	C	.	.			trans	-124.2	159	174.9	71	0	0	0	0	111.4	M104 V337 V550 M552 N569 Q571	M104-T548 HydrophobicContact CE-CG2 4.43Å; M104-T548 HydrophobicContact SD-CG2 4.38Å; V337-T548 HydrophobicContact CG1-CG2 4.19Å; V337-T548 HydrophobicContact CG2-CG2 4.29Å; T548-V550 WeakPolarHBondContact CB-O 3.38Å; T548-V550 PolarHBondContact OG1-O 3.34Å; T548-M552 HydrophobicContact CG2-CB 4.33Å; T548-M552 HydrophobicContact CG2-CE 4.48Å; T548-M552 PolarHBondContact OG1-O 3.47Å; T548-N569 PolarHBondContact N-OD1 3.44Å; T548-N569 VanDerWaalsContact N-OD1 3.1Å; T548-N569 PolarHBondContact OG1-ND2 2.89Å; T548-Q571 PolarHBondContact O-NE2 2.92Å
549	T	93.8	Very high	97.2	Very high	88 Å²	88	28.3 Å²	28.3	54%	0.54	15%	0.152	S	C	.	.	S	Bend	trans	-106.2	-15.4	172	63.8	0	0	0	0	112.6	E341 K345	E341-T549 WeakPolarHBondContact OE1-CB 3.47Å; E341-T549 PolarHBondContact OE1-N 3.46Å; E341-T549 PolarHBondContact OE1-OG1 2.94Å; E341-T549 PolarHBondContact OE2-OG1 3.12Å; K345-T549 PolarHBondContact NZ-OG1 2.87Å
550	V	92.1	Very high	97.1	Very high	29 Å²	29	27.6 Å²	27.6	18%	0.176	15%	0.15	C	C	.	.	S	Bend	trans	-102.2	150.4	170.1	-176	0	0	0	0	107.8	P107 E341 M344 K345 T548 M552	P107-V550 HydrophobicContact CG-CG1 4.17Å; E341-V550 HydrophobicContact CB-CG2 4.48Å; E341-V550 HydrophobicContact CG-CG2 4.12Å; M344-V550 HydrophobicContact CB-CG1 4.15Å; K345-V550 HydrophobicContact CG-CG2 4.27Å; T548-V550 WeakPolarHBondContact CB-O 3.38Å; T548-V550 PolarHBondContact OG1-O 3.34Å; V550-M552 HydrophobicContact CB-CE 4.13Å; V550-M552 HydrophobicContact CB-CG 4.13Å; V550-M552 HydrophobicContact CB-SD 4.36Å; V550-M552 HydrophobicContact CG1-CG 3.96Å; V550-M552 HydrophobicContact CG1-SD 4.28Å; V550-M552 PolarHBondContact O-N 2.87Å
551	E	91	Very high	97.1	Very high	165 Å²	165	31.6 Å²	31.6	77%	0.771	18%	0.177	S	C	*	.	S	Bend	trans	-65	78.4	178.3	-168.3	-178.1	-180	0	0	111.4	P107	P107-E551 WeakPolarHBondContact CD-O 3.47Å; P107-E551 HydrophobicContact CG-CB 4.39Å; P107-E551 VanDerWaalsContact CG-O 3.25Å; P107-E551 WeakPolarHBondContact CG-O 3.41Å
552	M	96.4	Very high	97	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.02	19%	0.187	C	C	.	.			trans	-141.9	155.6	-177.1	-54.5	-170.1	-56.7	0	0	108	M104 V105 F106 E341 M344 T548 V550 N569	M104-M552 HydrophobicContact CG-CB 4.49Å; M104-M552 HydrophobicContact SD-CB 3.73Å; M104-M552 HydrophobicContact SD-CE 4.44Å; V105-M552 WeakPolarHBondContact O-CA 3.32Å; V105-M552 VanDerWaalsContact O-CB 3.26Å; V105-M552 WeakPolarHBondContact O-CB 3.43Å; F106-M552 HydrophobicContact CD1-CG 4.37Å; F106-M552 HydrophobicContact CD1-SD 3.49Å; F106-M552 WeakPolarHBondContact CD1-SD 3.36Å; F106-M552 HydrophobicContact CE1-SD 3.98Å; F106-M552 HydrophobicContact CG-SD 4.29Å; E341-M552 HydrophobicContact CG-CE 3.73Å; M344-M552 HydrophobicContact CB-SD 4.49Å; M344-M552 HydrophobicContact CG-SD 3.68Å; T548-M552 HydrophobicContact CG2-CB 4.33Å; T548-M552 HydrophobicContact CG2-CE 4.48Å; T548-M552 PolarHBondContact OG1-O 3.47Å; V550-M552 HydrophobicContact CB-CE 4.13Å; V550-M552 HydrophobicContact CB-CG 4.13Å; V550-M552 HydrophobicContact CB-SD 4.36Å; V550-M552 HydrophobicContact CG1-CG 3.96Å; V550-M552 HydrophobicContact CG1-SD 4.28Å; V550-M552 PolarHBondContact O-N 2.87Å; M552-N569 PolarHBondContact O-ND2 3.14Å
553	F	98.1	Very high	97	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.1	175.2	63	-90.2	0	0	0	111.1	M104 V105 D286 A290 V399 V576 S578	M104-F553 VanDerWaalsContact SD-C 3.6Å; V105-F553 HydrophobicContact CB-CD1 4.15Å; V105-F553 HydrophobicContact CB-CD2 4.25Å; V105-F553 HydrophobicContact CB-CE1 3.73Å; V105-F553 HydrophobicContact CB-CE2 3.84Å; V105-F553 HydrophobicContact CB-CG 4.4Å; V105-F553 HydrophobicContact CB-CZ 3.55Å; V105-F553 HydrophobicContact CG1-CE1 3.72Å; V105-F553 HydrophobicContact CG1-CE2 4.41Å; V105-F553 HydrophobicContact CG1-CZ 3.65Å; V105-F553 HydrophobicContact CG2-CD2 4.19Å; V105-F553 HydrophobicContact CG2-CE1 4.31Å; V105-F553 HydrophobicContact CG2-CE2 3.54Å; V105-F553 HydrophobicContact CG2-CZ 3.61Å; V105-F553 PolarHBondContact N-O 3.34Å; V105-F553 PolarHBondContact O-N 3.16Å; D286-F553 HydrophobicContact CB-CE1 3.81Å; D286-F553 HydrophobicContact CB-CZ 3.68Å; A290-F553 HydrophobicContact CB-CE2 4.03Å; A290-F553 HydrophobicContact CB-CZ 4.48Å; V399-F553 HydrophobicContact CG1-CD2 4.2Å; V399-F553 HydrophobicContact CG1-CE2 3.86Å; V399-F553 HydrophobicContact CG1-CZ 4.05Å; V399-F553 HydrophobicContact CG2-CE2 3.91Å; V399-F553 HydrophobicContact CG2-CZ 4.43Å; F553-V576 HydrophobicContact CB-CG1 4Å; F553-V576 HydrophobicContact CG-CG1 4.3Å; F553-S578 WeakPolarHBondContact CD2-OG 3.27Å
554	C	98.5	Very high	97	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	151.7	177.6	-173.9	0	0	0	0	110.2	A103 M104 V546 C567 S578	A103-C554 CarbonylContact O-C 3.52Å; A103-C554 WeakPolarHBondContact O-CA 3.34Å; M104-C554 HydrophobicContact CE-CB 3.77Å; V546-C554 HydrophobicContact CB-CB 3.79Å; V546-C554 HydrophobicContact CG1-CB 3.7Å; V546-C554 HydrophobicContact CG2-CB 3.95Å; C554-C567 WeakPolarHBondContact O-CB 3.4Å; C554-C567 PolarHBondContact O-SG 3.49Å; C554-S578 WeakPolarHBondContact O-CB 3.19Å; C554-S578 PolarHBondContact O-OG 3.38Å
555	C	98.5	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.8	174.8	57.5	0	0	0	0	111.8	P102 A103 M397	P102-C555 VanDerWaalsContact CA-O 3.31Å; P102-C555 WeakPolarHBondContact CA-O 3.44Å; A103-C555 PolarHBondContact N-O 3.31Å; A103-C555 PolarHBondContact O-N 2.86Å; A103-C555 PolarHBondContact O-SG 2.85Å; M397-C555 HydrophobicContact CE-CB 3.29Å
556	Y	98.8	Very high	97.1	Very high	30 Å²	30	29.6 Å²	29.6	12%	0.118	17%	0.166	C	C	.	.			trans	-162.2	160.7	176.6	46.4	-98.9	0	0	0	109.1	P102 T543 S544 A566 C567 A580	P102-Y556 HydrophobicContact CB-CD1 4.42Å; T543-Y556 VanDerWaalsContact C-OH 3.26Å; S544-Y556 WeakPolarHBondContact CB-OH 3.48Å; S544-Y556 PolarHBondContact N-OH 3.33Å; S544-Y556 WeakPolarHBondContact OG-CE1 3.49Å; S544-Y556 PolarHBondContact OG-OH 2.97Å; Y556-A566 PolarHBondContact OH-O 2.91Å; Y556-C567 HydrophobicContact CD1-CB 4.28Å; Y556-C567 HydrophobicContact CE1-CB 3.54Å; Y556-A580 WeakPolarHBondContact O-CB 3.39Å
557	G	98.6	Very high	97.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.164	C	C	.	.			trans	-79.7	174.7	176.7	0	0	0	0	0	113.7	V98	V98-G557 VanDerWaalsContact O-CA 3.3Å; V98-G557 WeakPolarHBondContact O-CA 3.46Å; V98-G557 PolarHBondContact O-N 2.78Å
558	P	98.5	Very high	97.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.149	C	C	.	.			trans	-62.5	155	171.1	-17.6	29.8	0	0	0	112.8	G563 S581 F582	P558-G563 WeakPolarHBondContact CB-O 3.26Å; P558-G563 WeakPolarHBondContact CG-O 3.48Å; P558-S581 VanDerWaalsContact CG-CA 3.48Å; P558-F582 HydrophobicContact CB-CD2 4.14Å; P558-F582 HydrophobicContact CB-CE2 3.71Å; P558-F582 HydrophobicContact CB-CZ 4.4Å; P558-F582 HydrophobicContact CG-CD2 3.87Å; P558-F582 HydrophobicContact CG-CE2 3.7Å; P558-F582 HydrophobicContact CG-CG 4.47Å; P558-F582 HydrophobicContact CG-CZ 4.16Å
559	V	98.2	Very high	97.4	Very high	62 Å²	62	27 Å²	27	38%	0.376	15%	0.149	S	C	.	.	S	Bend	trans	-94.9	-7.2	177	-59.1	0	0	0	0	113.6	F539	F539-V559 HydrophobicContact CB-CG2 3.92Å; F539-V559 WeakPolarHBondContact O-CG2 3.45Å
560	V	98.3	Very high	97.6	Very high	17 Å²	17	22.9 Å²	22.9	10%	0.103	12%	0.124	C	C	.	.	S	Bend	trans	-140	151.6	175.3	-64	0	0	0	0	110.3	F539 N562 G563	F539-V560 WeakPolarHBondContact O-CG2 3.3Å; V560-N562 PolarHBondContact O-N 3.39Å; V560-N562 VanDerWaalsContact O-N 3.16Å; V560-G563 PolarHBondContact O-N 3.34Å; V560-G563 VanDerWaalsContact O-N 3.13Å
561	P	97.9	Very high	97.9	Very high	96 Å²	96	22.9 Å²	22.9	62%	0.623	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.3	-174.3	-27.3	35.8	0	0	0	115.6	N585	P561-N585 WeakPolarHBondContact O-CB 3.39Å
562	N	97.4	Very high	98.2	Very high	42 Å²	42	17.3 Å²	17.3	23%	0.225	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	22.7	-179.4	69.7	-33.4	0	0	0	113.2	H538 T540 V560 N585	H538-N562 PolarHBondContact NE2-OD1 3.3Å; T540-N562 WeakPolarHBondContact CG2-O 3.49Å; V560-N562 PolarHBondContact O-N 3.39Å; V560-N562 VanDerWaalsContact O-N 3.16Å; N562-N585 VanDerWaalsContact CA-ND2 3.29Å; N562-N585 WeakPolarHBondContact CA-ND2 3.48Å; N562-N585 WeakPolarHBondContact CB-ND2 3.43Å
563	G	98.1	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.			trans	-118.4	-177.9	-171.7	0	0	0	0	0	115	T540 P558 V560	T540-G563 CarbonylContact O-C 3.59Å; T540-G563 WeakPolarHBondContact O-CA 3.46Å; P558-G563 WeakPolarHBondContact CB-O 3.26Å; P558-G563 WeakPolarHBondContact CG-O 3.48Å; V560-G563 PolarHBondContact O-N 3.34Å; V560-G563 VanDerWaalsContact O-N 3.13Å
564	Y	98.8	Very high	98.2	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144	174.7	-64.9	-90.3	0	0	0	111.2	F429 T540 S542 V579 A580 T588 S589 F593	F429-Y564 HydrophobicContact CD2-CD2 4.25Å; F429-Y564 HydrophobicContact CD2-CE2 4.38Å; F429-Y564 AromaticContact CE2-CD2 3.96Å; F429-Y564 HydrophobicContact CE2-CD2 3.96Å; F429-Y564 HydrophobicContact CE2-CE2 4.03Å; T540-Y564 PolarHBondContact O-N 3Å; S542-Y564 PolarHBondContact N-O 3.48Å; Y564-V579 HydrophobicContact CD1-CG1 4.04Å; Y564-A580 CarbonylContact C-O 3.48Å; Y564-A580 WeakPolarHBondContact CA-O 3.34Å; Y564-T588 HydrophobicContact CD2-CG2 4.34Å; Y564-T588 HydrophobicContact CE2-CG2 3.74Å; Y564-T588 VanDerWaalsContact OH-CA 3.27Å; Y564-T588 WeakPolarHBondContact OH-CA 3.43Å; Y564-S589 PolarHBondContact OH-N 3.18Å; Y564-F593 HydrophobicContact CD1-CB 4.23Å; Y564-F593 HydrophobicContact CD1-CD2 4.26Å; Y564-F593 HydrophobicContact CD1-CG 4.18Å; Y564-F593 HydrophobicContact CD2-CD2 4.26Å; Y564-F593 HydrophobicContact CD2-CE2 4.48Å; Y564-F593 HydrophobicContact CE1-CB 3.66Å; Y564-F593 HydrophobicContact CE1-CD2 4.05Å; Y564-F593 AromaticContact CE1-CG 4Å; Y564-F593 HydrophobicContact CE1-CG 4Å; Y564-F593 HydrophobicContact CE2-CD2 4.03Å; Y564-F593 HydrophobicContact CG-CD2 4.36Å; Y564-F593 AromaticContact CZ-CD2 3.91Å
565	G	98.8	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.6	159.5	0	0	0	0	0	109.3	S542 V579 A580	S542-G565 CarbonylContact O-C 3.38Å; S542-G565 WeakPolarHBondContact O-CA 3.32Å; G565-V579 CarbonylContact O-C 3.51Å; G565-V579 WeakPolarHBondContact O-CA 3.43Å; G565-A580 PolarHBondContact N-O 2.89Å; G565-A580 PolarHBondContact O-N 3.3Å
566	A	98.8	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	99.6	-179.7	0	0	0	0	0	111.1	L425 L541 S542 T543 S544 Y556 S578	L425-A566 HydrophobicContact CD2-CB 4.29Å; L541-A566 HydrophobicContact CD1-CB 4.34Å; S542-A566 PolarHBondContact O-N 2.91Å; T543-A566 VanDerWaalsContact CA-O 3.24Å; T543-A566 WeakPolarHBondContact CA-O 3.49Å; T543-A566 HydrophobicContact CG2-CB 4.28Å; S544-A566 PolarHBondContact N-O 3.21Å; Y556-A566 PolarHBondContact OH-O 2.91Å; A566-S578 WeakPolarHBondContact CA-O 3.47Å
567	C	98.7	Very high	98.2	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.1	173	-172.5	0	0	0	0	109.9	S544 V546 C554 Y556 F577 S578	S544-C567 WeakPolarHBondContact O-CA 3.37Å; V546-C567 VanDerWaalsContact CG2-SG 3.55Å; C554-C567 WeakPolarHBondContact O-CB 3.4Å; C554-C567 PolarHBondContact O-SG 3.49Å; Y556-C567 HydrophobicContact CD1-CB 4.28Å; Y556-C567 HydrophobicContact CE1-CB 3.54Å; C567-F577 WeakPolarHBondContact O-CA 3.22Å; C567-S578 PolarHBondContact N-O 3.43Å; C567-S578 PolarHBondContact O-N 2.83Å
568	Y	98.7	Very high	98.2	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.1	178.6	56.4	-86.8	0	0	0	114	D418 I421 Q422 L425 E441 S544 Q545 V546 V576 F577	D418-Y568 WeakPolarHBondContact OD1-CE2 3.4Å; D418-Y568 PolarHBondContact OD1-OH 3.44Å; I421-Y568 HydrophobicContact CB-CD2 4.35Å; I421-Y568 HydrophobicContact CB-CE2 4.19Å; I421-Y568 HydrophobicContact CD1-CD2 3.93Å; I421-Y568 HydrophobicContact CD1-CE2 4.21Å; I421-Y568 HydrophobicContact CG2-CD1 4.1Å; I421-Y568 HydrophobicContact CG2-CD2 3.68Å; I421-Y568 HydrophobicContact CG2-CE1 4.22Å; I421-Y568 HydrophobicContact CG2-CE2 3.81Å; I421-Y568 HydrophobicContact CG2-CG 3.84Å; Q422-Y568 PolarHBondContact NE2-OH 3.19Å; L425-Y568 HydrophobicContact CD1-CD1 4.08Å; L425-Y568 HydrophobicContact CD1-CE1 3.97Å; E441-Y568 PolarHBondContact OE1-OH 3.44Å; S544-Y568 WeakPolarHBondContact O-CD1 3.34Å; S544-Y568 PolarHBondContact O-N 3.47Å; Q545-Y568 HydrophobicContact CB-CD2 4.18Å; Q545-Y568 HydrophobicContact CB-CE2 3.49Å; Q545-Y568 VanDerWaalsContact CB-CE2 3.49Å; Q545-Y568 HydrophobicContact CG-CD2 3.97Å; Q545-Y568 HydrophobicContact CG-CE2 3.55Å; V546-Y568 PolarHBondContact N-O 2.9Å; Y568-V576 CarbonylContact C-O 3.58Å; Y568-V576 VanDerWaalsContact CA-O 3.22Å; Y568-V576 WeakPolarHBondContact CA-O 3.49Å; Y568-F577 HydrophobicContact CG-CD1 4.49Å; Y568-F577 HydrophobicContact CG-CE1 4.2Å
569	N	98.3	Very high	98.2	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	96.7	-178.8	-177.8	8.6	0	0	0	110.4	P547 T548 M552 Q571 V576	P547-N569 WeakPolarHBondContact CA-OD1 3.3Å; T548-N569 PolarHBondContact N-OD1 3.44Å; T548-N569 VanDerWaalsContact N-OD1 3.1Å; T548-N569 PolarHBondContact OG1-ND2 2.89Å; M552-N569 PolarHBondContact O-ND2 3.14Å; N569-Q571 PolarHBondContact ND2-NE2 2.98Å; N569-Q571 PolarHBondContact O-N 2.79Å; N569-Q571 PolarHBondContact OD1-NE2 3.29Å; N569-V576 HydrophobicContact CB-CB 4.31Å; N569-V576 PolarHBondContact N-O 2.94Å; N569-V576 PolarHBondContact O-N 2.98Å; N569-V576 VanDerWaalsContact O-N 3.1Å
570	P	97.5	Very high	98.3	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.1	-178.5	27.5	-28.6	0	0	0	112.8	K407 I421 Q545 I575	K407-P570 HydrophobicContact CB-CB 4.47Å; K407-P570 PolarHBondContact NZ-O 2.85Å; K407-P570 VanDerWaalsContact NZ-O 3.1Å; I421-P570 HydrophobicContact CD1-CB 3.86Å; I421-P570 HydrophobicContact CD1-CG 4.2Å; Q545-P570 HydrophobicContact CG-CG 4.29Å; P570-I575 HydrophobicContact CB-CG1 4.41Å; P570-I575 HydrophobicContact CB-CG2 4.43Å
571	Q	97.5	Very high	98.3	Very high	29 Å²	29	21.6 Å²	21.6	14%	0.136	12%	0.116	C	C	.	.			trans	-95.6	168.8	173.7	-63.3	-57.9	-22.8	0	0	111.2	G406 K407 T548 N569 H573 H574	G406-Q571 WeakPolarHBondContact CA-O 3.48Å; K407-Q571 WeakPolarHBondContact CG-O 3.3Å; K407-Q571 PolarHBondContact N-O 2.74Å; T548-Q571 PolarHBondContact O-NE2 2.92Å; N569-Q571 PolarHBondContact ND2-NE2 2.98Å; N569-Q571 PolarHBondContact O-N 2.79Å; N569-Q571 PolarHBondContact OD1-NE2 3.29Å; Q571-H573 VanDerWaalsContact C-N 3.26Å; Q571-H573 PolarHBondContact O-N 3.4Å; Q571-H574 CarbonylContact C-O 3.54Å; Q571-H574 VanDerWaalsContact CA-O 3.32Å; Q571-H574 WeakPolarHBondContact CA-O 3.4Å; Q571-H574 WeakPolarHBondContact CB-O 3.34Å; Q571-H574 VanDerWaalsContact CG-NE2 3.28Å; Q571-H574 WeakPolarHBondContact CG-NE2 3.31Å; Q571-H574 PolarHBondContact N-O 3.41Å; Q571-H574 VanDerWaalsContact O-O 3.13Å
572	P	97.1	Very high	98.3	Very high	47 Å²	47	17.7 Å²	17.7	31%	0.305	9%	0.089	S	C	.	.	S	Bend	trans	-52.7	-42.3	-179.1	-30.6	38.4	0	0	0	114	G406 K407 E408	G406-P572 CarbonylContact C-O 3.57Å; G406-P572 WeakPolarHBondContact CA-O 3.3Å; K407-P572 PolarHBondContact N-O 2.78Å; E408-P572 WeakPolarHBondContact CB-O 3.29Å; E408-P572 HydrophobicContact CG-CB 3.89Å; E408-P572 PolarHBondContact N-O 3.16Å
573	H	97.4	Very high	98.3	Very high	137 Å²	137	23.2 Å²	23.2	63%	0.634	11%	0.107	S	C	*	.	S	Bend	trans	-124.8	-1.8	-170.9	-57.6	-59.6	0	0	0	114.9	Y405 Q571	Y405-H573 VanDerWaalsContact C-C 3.49Å; Y405-H573 CarbonylContact C-O 3.55Å; Q571-H573 VanDerWaalsContact C-N 3.26Å; Q571-H573 PolarHBondContact O-N 3.4Å
574	H	97.9	Very high	98.3	Very high	68 Å²	68	30.5 Å²	30.5	32%	0.315	14%	0.141	S	C	.	.			trans	-147.4	170	175	64.8	-93.8	0	0	0	110.1	T401 F402 Y405 Q571	T401-H574 HydrophobicContact CG2-CB 4.17Å; F402-H574 CarbonylContact O-C 3.56Å; F402-H574 WeakPolarHBondContact O-CA 3.41Å; F402-H574 WeakPolarHBondContact O-CB 3.5Å; Y405-H574 WeakPolarHBondContact O-CA 3.19Å; Q571-H574 CarbonylContact C-O 3.54Å; Q571-H574 VanDerWaalsContact CA-O 3.32Å; Q571-H574 WeakPolarHBondContact CA-O 3.4Å; Q571-H574 WeakPolarHBondContact CB-O 3.34Å; Q571-H574 VanDerWaalsContact CG-NE2 3.28Å; Q571-H574 WeakPolarHBondContact CG-NE2 3.31Å; Q571-H574 PolarHBondContact N-O 3.41Å; Q571-H574 VanDerWaalsContact O-O 3.13Å
575	I	98.6	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.8	174.8	-52.5	165.5	0	0	0	108.3	F402 I410 I421 P570 F577	F402-I575 HydrophobicContact CB-CB 4.38Å; F402-I575 WeakPolarHBondContact CB-O 3.4Å; F402-I575 HydrophobicContact CD1-CD1 4.34Å; F402-I575 PolarHBondContact N-O 3.09Å; F402-I575 PolarHBondContact O-N 3.02Å; I410-I575 HydrophobicContact CD1-CD1 4.4Å; I421-I575 HydrophobicContact CD1-CD1 3.96Å; I421-I575 HydrophobicContact CD1-CG2 4.11Å; I421-I575 HydrophobicContact CG1-CD1 4.11Å; P570-I575 HydrophobicContact CB-CG1 4.41Å; P570-I575 HydrophobicContact CB-CG2 4.43Å; I575-F577 HydrophobicContact CB-CD2 4.41Å; I575-F577 HydrophobicContact CB-CE2 3.73Å; I575-F577 HydrophobicContact CB-CZ 4.25Å; I575-F577 HydrophobicContact CG2-CD2 3.99Å; I575-F577 HydrophobicContact CG2-CE1 4.22Å; I575-F577 HydrophobicContact CG2-CE2 3.36Å; I575-F577 HydrophobicContact CG2-CZ 3.49Å; I575-F577 VanDerWaalsContact CG2-CZ 3.49Å
576	V	98.6	Very high	97.9	Very high	15 Å²	15	38.6 Å²	38.6	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.4	173.5	-175.2	0	0	0	0	109	V399 T401 F553 Y568 N569	V399-V576 HydrophobicContact CG1-CG1 4.21Å; T401-V576 HydrophobicContact CG2-CG2 4.4Å; F553-V576 HydrophobicContact CB-CG1 4Å; F553-V576 HydrophobicContact CG-CG1 4.3Å; Y568-V576 CarbonylContact C-O 3.58Å; Y568-V576 VanDerWaalsContact CA-O 3.22Å; Y568-V576 WeakPolarHBondContact CA-O 3.49Å; N569-V576 HydrophobicContact CB-CB 4.31Å; N569-V576 PolarHBondContact N-O 2.94Å; N569-V576 PolarHBondContact O-N 2.98Å; N569-V576 VanDerWaalsContact O-N 3.1Å
577	F	98.8	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.9	174.5	-68.3	-85.5	0	0	0	110	V399 F400 F402 I421 L425 C567 Y568 I575 V579 L597 L601	V399-F577 CarbonylContact C-O 3.48Å; V399-F577 WeakPolarHBondContact CA-O 3.49Å; F400-F577 HydrophobicContact CD1-CD2 4.15Å; F400-F577 HydrophobicContact CE1-CD2 4.49Å; F400-F577 PolarHBondContact N-O 2.98Å; F400-F577 PolarHBondContact O-N 2.71Å; F402-F577 HydrophobicContact CB-CD2 4.49Å; F402-F577 HydrophobicContact CB-CE2 4.23Å; I421-F577 HydrophobicContact CG2-CE1 3.68Å; I421-F577 HydrophobicContact CG2-CZ 3.93Å; L425-F577 HydrophobicContact CD2-CE1 4.42Å; C567-F577 WeakPolarHBondContact O-CA 3.22Å; Y568-F577 HydrophobicContact CG-CD1 4.49Å; Y568-F577 HydrophobicContact CG-CE1 4.2Å; I575-F577 HydrophobicContact CB-CD2 4.41Å; I575-F577 HydrophobicContact CB-CE2 3.73Å; I575-F577 HydrophobicContact CB-CZ 4.25Å; I575-F577 HydrophobicContact CG2-CD2 3.99Å; I575-F577 HydrophobicContact CG2-CE1 4.22Å; I575-F577 HydrophobicContact CG2-CE2 3.36Å; I575-F577 HydrophobicContact CG2-CZ 3.49Å; I575-F577 VanDerWaalsContact CG2-CZ 3.49Å; F577-V579 HydrophobicContact CB-CG2 4.39Å; F577-L597 HydrophobicContact CB-CD2 4.46Å; F577-L597 HydrophobicContact CD1-CD2 3.63Å; F577-L597 HydrophobicContact CD2-CD2 4.15Å; F577-L597 HydrophobicContact CE1-CD2 3.79Å; F577-L597 HydrophobicContact CE2-CD2 4.26Å; F577-L597 HydrophobicContact CG-CD2 3.83Å; F577-L597 HydrophobicContact CZ-CD2 4.09Å; F577-L601 HydrophobicContact CE2-CD1 3.75Å; F577-L601 HydrophobicContact CZ-CD1 4Å
578	S	98.6	Very high	97.7	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.7	168.2	-54.7	0	0	0	0	107.6	F553 C554 A566 C567	F553-S578 WeakPolarHBondContact CD2-OG 3.27Å; C554-S578 WeakPolarHBondContact O-CB 3.19Å; C554-S578 PolarHBondContact O-OG 3.38Å; A566-S578 WeakPolarHBondContact CA-O 3.47Å; C567-S578 PolarHBondContact N-O 3.43Å; C567-S578 PolarHBondContact O-N 2.83Å
579	V	98.8	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.7	-178.9	-177.7	0	0	0	0	109.4	M397 D398 Y564 G565 F577 F593 V594	M397-V579 CarbonylContact C-O 3.54Å; M397-V579 WeakPolarHBondContact CA-O 3.49Å; M397-V579 WeakPolarHBondContact CG-O 3.31Å; D398-V579 PolarHBondContact N-O 3.28Å; D398-V579 PolarHBondContact O-N 2.9Å; Y564-V579 HydrophobicContact CD1-CG1 4.04Å; G565-V579 CarbonylContact O-C 3.51Å; G565-V579 WeakPolarHBondContact O-CA 3.43Å; F577-V579 HydrophobicContact CB-CG2 4.39Å; V579-F593 HydrophobicContact CG1-CB 4.32Å; V579-F593 HydrophobicContact CG1-CD1 3.79Å; V579-F593 HydrophobicContact CG1-CG 4.29Å; V579-F593 HydrophobicContact CG2-CD1 4.23Å; V579-V594 HydrophobicContact CB-CG2 3.8Å; V579-V594 HydrophobicContact CG1-CG2 4.43Å; V579-V594 HydrophobicContact CG2-CG2 3.67Å
580	A	98.8	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.7	177.2	0	0	0	0	0	111.3	L395 D396 M397 Y556 Y564 G565	L395-A580 HydrophobicContact CD1-CB 3.99Å; D396-A580 CarbonylContact O-C 3.52Å; D396-A580 VanDerWaalsContact O-CA 3.22Å; D396-A580 WeakPolarHBondContact O-CA 3.42Å; M397-A580 HydrophobicContact CG-CB 4.4Å; Y556-A580 WeakPolarHBondContact O-CB 3.39Å; Y564-A580 CarbonylContact C-O 3.48Å; Y564-A580 WeakPolarHBondContact CA-O 3.34Å; G565-A580 PolarHBondContact N-O 2.89Å; G565-A580 PolarHBondContact O-N 3.3Å
581	S	98.8	Very high	97.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-172.5	172.9	64.3	0	0	0	0	109.6	D396 P558 S590	D396-S581 PolarHBondContact N-O 3.35Å; D396-S581 PolarHBondContact O-N 3.1Å; D396-S581 PolarHBondContact OD2-OG 3.48Å; P558-S581 VanDerWaalsContact CG-CA 3.48Å; S581-S590 PolarHBondContact N-OG 3.15Å; S581-S590 PolarHBondContact OG-N 3.22Å; S581-S590 PolarHBondContact OG-OG 3.14Å
582	F	98.7	Very high	97.7	Very high	14 Å²	14	49.4 Å²	49.4	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.3	178.6	-66.9	-60.2	0	0	0	111.5	V98 L391 N394 P558 E584 N585 T588	V98-F582 HydrophobicContact CG1-CE1 4.06Å; V98-F582 HydrophobicContact CG1-CZ 4.38Å; L391-F582 HydrophobicContact CD1-CE1 4.48Å; N394-F582 CarbonylContact O-C 3.59Å; N394-F582 VanDerWaalsContact O-CA 3.27Å; N394-F582 WeakPolarHBondContact O-CA 3.43Å; P558-F582 HydrophobicContact CB-CD2 4.14Å; P558-F582 HydrophobicContact CB-CE2 3.71Å; P558-F582 HydrophobicContact CB-CZ 4.4Å; P558-F582 HydrophobicContact CG-CD2 3.87Å; P558-F582 HydrophobicContact CG-CE2 3.7Å; P558-F582 HydrophobicContact CG-CG 4.47Å; P558-F582 HydrophobicContact CG-CZ 4.16Å; F582-E584 VanDerWaalsContact C-N 3.26Å; F582-E584 PolarHBondContact O-N 3.01Å; F582-N585 PolarHBondContact O-N 3.4Å; F582-T588 PolarHBondContact O-OG1 3.46Å
583	W	97.8	Very high	97.8	Very high	157 Å²	157	47.2 Å²	47.2	60%	0.595	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.7	-180	-76.7	112.6	0	0	0	113.4	N394 L395 D396 N585	N394-W583 PolarHBondContact O-N 3.3Å; N394-W583 PolarHBondContact OD1-N 3.2Å; L395-W583 PolarHBondContact O-NE1 3.26Å; D396-W583 HydrophobicContact CB-CD2 3.95Å; D396-W583 HydrophobicContact CB-CG 4.09Å; D396-W583 HydrophobicContact CB-CZ2 4.06Å; D396-W583 WeakPolarHBondContact OD1-CZ2 3.38Å; W583-N585 PolarHBondContact O-N 3.49Å
584	E	96.8	Very high	97.8	Very high	153 Å²	153	41.1 Å²	41.1	72%	0.715	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.7	176.3	-78	173.5	173.9	0	0	112.7	N394 F582	N394-E584 PolarHBondContact ND2-OE2 2.89Å; N394-E584 VanDerWaalsContact OD1-CB 3.31Å; N394-E584 WeakPolarHBondContact OD1-CB 3.38Å; N394-E584 VanDerWaalsContact OD1-CG 3.22Å; N394-E584 WeakPolarHBondContact OD1-CG 3.4Å; N394-E584 PolarHBondContact OD1-N 3.25Å; F582-E584 VanDerWaalsContact C-N 3.26Å; F582-E584 PolarHBondContact O-N 3.01Å
585	N	96	Very high	97.9	Very high	34 Å²	34	44.1 Å²	44.1	18%	0.182	23%	0.229	C	C	.	.			trans	-97.5	103.1	177.7	-164.3	-61.5	0	0	0	111.7	P561 N562 F582 W583 E587 T588	P561-N585 WeakPolarHBondContact O-CB 3.39Å; N562-N585 VanDerWaalsContact CA-ND2 3.29Å; N562-N585 WeakPolarHBondContact CA-ND2 3.48Å; N562-N585 WeakPolarHBondContact CB-ND2 3.43Å; F582-N585 PolarHBondContact O-N 3.4Å; W583-N585 PolarHBondContact O-N 3.49Å; N585-E587 PolarHBondContact O-N 3.44Å; N585-E587 WeakPolarHBondContact OD1-CA 3.4Å; N585-E587 WeakPolarHBondContact OD1-CB 3.33Å; N585-E587 PolarHBondContact OD1-N 3Å; N585-T588 PolarHBondContact O-N 2.81Å; N585-T588 PolarHBondContact O-OG1 3.31Å; N585-T588 VanDerWaalsContact O-OG1 3.05Å
586	T	94.4	Very high	97.9	Very high	142 Å²	142	44.5 Å²	44.5	87%	0.871	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.7	-179.8	58	0	0	0	0	114
587	E	94.4	Very high	97.9	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.6	175	-56.9	-156.1	126.5	0	0	113.2	R433 N585	R433-E587 IonicContact CZ-OE1 2.66Å; R433-E587 IonicContact CZ-OE2 2.8Å; R433-E587 PolarHBondContact NH1-O 3.04Å; R433-E587 IonicContact NH2-OE1 3.97Å; R433-E587 PolarHBondContact NH2-OE1 3.26Å; R433-E587 IonicContact NH2-OE2 3.29Å; R433-E587 PolarHBondContact NH2-OE2 3.17Å; N585-E587 PolarHBondContact O-N 3.44Å; N585-E587 WeakPolarHBondContact OD1-CA 3.4Å; N585-E587 WeakPolarHBondContact OD1-CB 3.33Å; N585-E587 PolarHBondContact OD1-N 3Å
588	T	97.3	Very high	97.9	Very high	16 Å²	16	46 Å²	46	10%	0.098	24%	0.239	C	C	.	.			trans	-114.9	146.9	-178.5	58.7	0	0	0	0	112.5	Y564 F582 N585	Y564-T588 HydrophobicContact CD2-CG2 4.34Å; Y564-T588 HydrophobicContact CE2-CG2 3.74Å; Y564-T588 VanDerWaalsContact OH-CA 3.27Å; Y564-T588 WeakPolarHBondContact OH-CA 3.43Å; F582-T588 PolarHBondContact O-OG1 3.46Å; N585-T588 PolarHBondContact O-N 2.81Å; N585-T588 PolarHBondContact O-OG1 3.31Å; N585-T588 VanDerWaalsContact O-OG1 3.05Å
589	S	98.4	Very high	97.9	Very high	28 Å²	28	49.5 Å²	49.5	20%	0.196	26%	0.255	C	S	.	.			trans	-157.4	121.6	168.3	169.5	0	0	0	0	109.3	Y564 A591 V592 F593	Y564-S589 PolarHBondContact OH-N 3.18Å; S589-A591 VanDerWaalsContact C-N 3.33Å; S589-A591 PolarHBondContact O-N 3.5Å; S589-V592 PolarHBondContact O-N 2.82Å; S589-V592 WeakPolarHBondContact OG-CG2 3.43Å; S589-V592 PolarHBondContact OG-N 3.47Å; S589-F593 WeakPolarHBondContact O-CB 3.45Å; S589-F593 PolarHBondContact O-N 3.25Å
590	S	98.6	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.6	-179.2	-62.7	0	0	0	0	110.8	D396 S581 F593 V594	D396-S590 PolarHBondContact O-OG 2.99Å; D396-S590 WeakPolarHBondContact OD2-CB 3.36Å; D396-S590 PolarHBondContact OD2-N 3.08Å; D396-S590 PolarHBondContact OD2-OG 3.12Å; S581-S590 PolarHBondContact N-OG 3.15Å; S581-S590 PolarHBondContact OG-N 3.22Å; S581-S590 PolarHBondContact OG-OG 3.14Å; S590-F593 PolarHBondContact O-N 3.15Å; S590-V594 WeakPolarHBondContact O-CB 3.46Å; S590-V594 WeakPolarHBondContact O-CG2 3.27Å; S590-V594 PolarHBondContact O-N 2.9Å
591	A	98.1	Very high	97.8	Very high	51 Å²	51	49.5 Å²	49.5	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-43.1	177.6	0	0	0	0	0	113	S589 V594 K595	S589-A591 VanDerWaalsContact C-N 3.33Å; S589-A591 PolarHBondContact O-N 3.5Å; A591-V594 PolarHBondContact O-N 3.43Å; A591-K595 WeakPolarHBondContact O-CB 3.46Å; A591-K595 PolarHBondContact O-N 2.89Å
592	V	98.2	Very high	97.8	Very high	83 Å²	83	52.5 Å²	52.5	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-42.2	176.8	175.5	0	0	0	0	110.6	S589 K595 A596	S589-V592 PolarHBondContact O-N 2.82Å; S589-V592 WeakPolarHBondContact OG-CG2 3.43Å; S589-V592 PolarHBondContact OG-N 3.47Å; V592-K595 PolarHBondContact O-N 3.38Å; V592-A596 PolarHBondContact O-N 3.07Å
593	F	98.6	Very high	97.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-45.2	177.7	-169.7	-84.9	0	0	0	111.9	L425 A428 F429 L541 Y564 V579 S589 S590 K595 A596 L597	L425-F593 HydrophobicContact CD2-CE1 3.89Å; L425-F593 HydrophobicContact CD2-CZ 4.21Å; A428-F593 HydrophobicContact CB-CE1 4.26Å; A428-F593 HydrophobicContact CB-CE2 4.31Å; A428-F593 HydrophobicContact CB-CZ 4Å; F429-F593 HydrophobicContact CB-CE2 3.84Å; F429-F593 HydrophobicContact CB-CZ 4.46Å; F429-F593 AromaticContact CD2-CE2 3.87Å; F429-F593 HydrophobicContact CD2-CE2 3.87Å; F429-F593 HydrophobicContact CG-CE2 4.31Å; L541-F593 HydrophobicContact CD1-CZ 4.13Å; Y564-F593 HydrophobicContact CD1-CB 4.23Å; Y564-F593 HydrophobicContact CD1-CD2 4.26Å; Y564-F593 HydrophobicContact CD1-CG 4.18Å; Y564-F593 HydrophobicContact CD2-CD2 4.26Å; Y564-F593 HydrophobicContact CD2-CE2 4.48Å; Y564-F593 HydrophobicContact CE1-CB 3.66Å; Y564-F593 HydrophobicContact CE1-CD2 4.05Å; Y564-F593 AromaticContact CE1-CG 4Å; Y564-F593 HydrophobicContact CE1-CG 4Å; Y564-F593 HydrophobicContact CE2-CD2 4.03Å; Y564-F593 HydrophobicContact CG-CD2 4.36Å; Y564-F593 AromaticContact CZ-CD2 3.91Å; V579-F593 HydrophobicContact CG1-CB 4.32Å; V579-F593 HydrophobicContact CG1-CD1 3.79Å; V579-F593 HydrophobicContact CG1-CG 4.29Å; V579-F593 HydrophobicContact CG2-CD1 4.23Å; S589-F593 WeakPolarHBondContact O-CB 3.45Å; S589-F593 PolarHBondContact O-N 3.25Å; S590-F593 PolarHBondContact O-N 3.15Å; F593-K595 VanDerWaalsContact C-N 3.34Å; F593-K595 PolarHBondContact O-N 3.36Å; F593-A596 PolarHBondContact O-N 3Å; F593-L597 VanDerWaalsContact O-CB 3.32Å; F593-L597 WeakPolarHBondContact O-CB 3.4Å; F593-L597 PolarHBondContact O-N 3.41Å
594	V	98.6	Very high	97.8	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-43.6	175.7	163.3	0	0	0	0	111.2	D398 F400 V579 S590 A591 L597 N598	D398-V594 HydrophobicContact CB-CG2 3.92Å; F400-V594 HydrophobicContact CB-CG1 3.55Å; F400-V594 HydrophobicContact CB-CG2 4.33Å; F400-V594 HydrophobicContact CD1-CG1 3.95Å; F400-V594 HydrophobicContact CD2-CG1 4.09Å; F400-V594 HydrophobicContact CG-CG1 3.59Å; V579-V594 HydrophobicContact CB-CG2 3.8Å; V579-V594 HydrophobicContact CG1-CG2 4.43Å; V579-V594 HydrophobicContact CG2-CG2 3.67Å; S590-V594 WeakPolarHBondContact O-CB 3.46Å; S590-V594 WeakPolarHBondContact O-CG2 3.27Å; S590-V594 PolarHBondContact O-N 2.9Å; A591-V594 PolarHBondContact O-N 3.43Å; V594-L597 PolarHBondContact O-N 2.96Å; V594-N598 WeakPolarHBondContact O-CB 3.39Å; V594-N598 PolarHBondContact O-N 2.9Å
595	K	98.5	Very high	97.8	Very high	132 Å²	132	44.3 Å²	44.3	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-58.9	-50.3	175.3	-178.6	179.2	173.6	-176.3	0	111.5	A591 V592 F593 L597 N598 E599	A591-K595 WeakPolarHBondContact O-CB 3.46Å; A591-K595 PolarHBondContact O-N 2.89Å; V592-K595 PolarHBondContact O-N 3.38Å; F593-K595 VanDerWaalsContact C-N 3.34Å; F593-K595 PolarHBondContact O-N 3.36Å; K595-L597 VanDerWaalsContact C-N 3.26Å; K595-L597 PolarHBondContact O-N 3.34Å; K595-N598 PolarHBondContact O-N 3.46Å; K595-E599 WeakPolarHBondContact CE-OE1 3.31Å; K595-E599 WeakPolarHBondContact O-CG 3.31Å; K595-E599 PolarHBondContact O-N 3.42Å
596	A	98.5	Very high	97.9	Very high	8 Å²	8	45.4 Å²	45.4	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-33.8	178.4	0	0	0	0	0	112.6	A428 K431 C432 V592 F593 G600	A428-A596 HydrophobicContact CB-CB 4.43Å; K431-A596 HydrophobicContact CB-CB 4.3Å; C432-A596 VanDerWaalsContact SG-CB 3.54Å; V592-A596 PolarHBondContact O-N 3.07Å; F593-A596 PolarHBondContact O-N 3Å; A596-G600 PolarHBondContact O-N 3.42Å
597	L	98.7	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.6	-46.6	175.4	178.7	59.9	0	0	0	111.9	L425 A428 F577 F593 V594 K595 G600 L601	L425-L597 HydrophobicContact CD2-CD1 3.96Å; L425-L597 HydrophobicContact CD2-CD2 3.82Å; L425-L597 HydrophobicContact CG-CD1 4.44Å; A428-L597 HydrophobicContact CB-CB 3.78Å; A428-L597 HydrophobicContact CB-CD1 4.04Å; F577-L597 HydrophobicContact CB-CD2 4.46Å; F577-L597 HydrophobicContact CD1-CD2 3.63Å; F577-L597 HydrophobicContact CD2-CD2 4.15Å; F577-L597 HydrophobicContact CE1-CD2 3.79Å; F577-L597 HydrophobicContact CE2-CD2 4.26Å; F577-L597 HydrophobicContact CG-CD2 3.83Å; F577-L597 HydrophobicContact CZ-CD2 4.09Å; F593-L597 VanDerWaalsContact O-CB 3.32Å; F593-L597 WeakPolarHBondContact O-CB 3.4Å; F593-L597 PolarHBondContact O-N 3.41Å; V594-L597 PolarHBondContact O-N 2.96Å; K595-L597 VanDerWaalsContact C-N 3.26Å; K595-L597 PolarHBondContact O-N 3.34Å; L597-G600 PolarHBondContact O-N 3.41Å; L597-L601 HydrophobicContact CD1-CD1 4.11Å; L597-L601 HydrophobicContact CD1-CG 4.16Å; L597-L601 HydrophobicContact CG-CD1 4.04Å; L597-L601 WeakPolarHBondContact O-CB 3.41Å; L597-L601 VanDerWaalsContact O-CG 3.28Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 2.74Å
598	N	98.6	Very high	98.1	Very high	46 Å²	46	34.8 Å²	34.8	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-48.3	175.4	177.6	62.5	0	0	0	111.2	F400 F402 V594 K595 L601 L602	F400-N598 HydrophobicContact CE1-CB 4.06Å; F400-N598 HydrophobicContact CZ-CB 3.84Å; F400-N598 WeakPolarHBondContact CZ-OD1 3.45Å; F402-N598 WeakPolarHBondContact CD2-OD1 3.42Å; V594-N598 WeakPolarHBondContact O-CB 3.39Å; V594-N598 PolarHBondContact O-N 2.9Å; K595-N598 PolarHBondContact O-N 3.46Å; N598-L601 PolarHBondContact O-N 2.87Å; N598-L602 WeakPolarHBondContact O-CG 3.36Å; N598-L602 PolarHBondContact O-N 2.93Å; N598-L602 VanDerWaalsContact O-N 3.07Å
599	E	98.4	Very high	97.9	Very high	77 Å²	77	36.7 Å²	36.7	36%	0.36	19%	0.192	S	C	.	.	H	α-helix	trans	-59.7	-47.3	175.8	-71.6	171.7	-176.9	0	0	111.6	K595 L601 L602 E603	K595-E599 WeakPolarHBondContact CE-OE1 3.31Å; K595-E599 WeakPolarHBondContact O-CG 3.31Å; K595-E599 PolarHBondContact O-N 3.42Å; E599-L601 PolarHBondContact O-N 2.82Å; E599-L602 PolarHBondContact O-N 2.9Å; E599-E603 WeakPolarHBondContact O-CG 3.46Å; E599-E603 PolarHBondContact O-N 2.88Å
600	G	98.3	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-42	177.5	0	0	0	0	0	113.2	A596 L597 L602 E603 I604	A596-G600 PolarHBondContact O-N 3.42Å; L597-G600 PolarHBondContact O-N 3.41Å; G600-L602 VanDerWaalsContact C-N 3.34Å; G600-L602 PolarHBondContact O-N 3.3Å; G600-E603 PolarHBondContact O-N 3.48Å; G600-I604 WeakPolarHBondContact O-CG1 3.33Å; G600-I604 PolarHBondContact O-N 2.8Å
601	L	98.6	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-38.5	176.4	-75.2	167.4	0	0	0	112.2	F402 Y405 F420 S424 F577 L597 N598 E599 W605	F402-L601 HydrophobicContact CB-CD1 4.38Å; F402-L601 HydrophobicContact CD1-CD1 4.28Å; F402-L601 HydrophobicContact CD2-CB 4.28Å; F402-L601 HydrophobicContact CD2-CD1 3.92Å; F402-L601 HydrophobicContact CE1-CB 4.41Å; F402-L601 HydrophobicContact CE2-CB 3.79Å; F402-L601 HydrophobicContact CE2-CD1 4.28Å; F402-L601 HydrophobicContact CG-CD1 3.92Å; F402-L601 HydrophobicContact CZ-CB 3.85Å; Y405-L601 WeakPolarHBondContact OH-CD2 3.44Å; Y405-L601 PolarHBondContact OH-O 3.3Å; F420-L601 HydrophobicContact CE1-CD2 4.1Å; S424-L601 WeakPolarHBondContact OG-CD2 3.15Å; F577-L601 HydrophobicContact CE2-CD1 3.75Å; F577-L601 HydrophobicContact CZ-CD1 4Å; L597-L601 HydrophobicContact CD1-CD1 4.11Å; L597-L601 HydrophobicContact CD1-CG 4.16Å; L597-L601 HydrophobicContact CG-CD1 4.04Å; L597-L601 WeakPolarHBondContact O-CB 3.41Å; L597-L601 VanDerWaalsContact O-CG 3.28Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 2.74Å; N598-L601 PolarHBondContact O-N 2.87Å; E599-L601 PolarHBondContact O-N 2.82Å; L601-W605 WeakPolarHBondContact O-CB 3.37Å; L601-W605 PolarHBondContact O-N 3.47Å; L601-W605 VanDerWaalsContact O-N 3.11Å
602	L	98.6	Very high	95.9	Very high	62 Å²	62	43 Å²	43	33%	0.325	22%	0.215	S	C	.	.	H	α-helix	trans	-69.1	-42.4	175.9	-70.1	171.1	0	0	0	111.9	F402 T404 N598 E599 G600 W605 D606	F402-L602 HydrophobicContact CE2-CD2 4.09Å; F402-L602 HydrophobicContact CE2-CG 4.14Å; F402-L602 HydrophobicContact CZ-CD2 4.21Å; T404-L602 HydrophobicContact CG2-CD2 3.9Å; N598-L602 WeakPolarHBondContact O-CG 3.36Å; N598-L602 PolarHBondContact O-N 2.93Å; N598-L602 VanDerWaalsContact O-N 3.07Å; E599-L602 PolarHBondContact O-N 2.9Å; G600-L602 VanDerWaalsContact C-N 3.34Å; G600-L602 PolarHBondContact O-N 3.3Å; L602-W605 WeakPolarHBondContact O-CB 3.44Å; L602-W605 PolarHBondContact O-N 3.17Å; L602-D606 PolarHBondContact O-N 2.79Å
603	E	97.9	Very high	94.6	Very high	65 Å²	65	41.7 Å²	41.7	30%	0.304	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-42.7	176.7	-73.8	171.9	-171.3	0	0	112.1	K431 M470 E599 G600 W605 D606 L607	K431-E603 WeakPolarHBondContact CE-OE2 3.31Å; K431-E603 IonicContact NZ-OE1 3.87Å; K431-E603 PolarHBondContact NZ-OE1 2.88Å; K431-E603 IonicContact NZ-OE2 2.73Å; K431-E603 PolarHBondContact NZ-OE2 3.5Å; M470-E603 HydrophobicContact CE-CB 3.68Å; E599-E603 WeakPolarHBondContact O-CG 3.46Å; E599-E603 PolarHBondContact O-N 2.88Å; G600-E603 PolarHBondContact O-N 3.48Å; E603-W605 VanDerWaalsContact C-N 3.32Å; E603-D606 PolarHBondContact O-N 3.38Å; E603-L607 WeakPolarHBondContact O-CB 3.25Å; E603-L607 PolarHBondContact O-N 3.35Å
604	I	98.1	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-38.8	176.3	-64.3	166.9	0	0	0	110.6	F420 S424 L427 F466 L486 G600 L607 C608	F420-I604 HydrophobicContact CD2-CG2 4.46Å; F420-I604 HydrophobicContact CE1-CG2 4.27Å; F420-I604 HydrophobicContact CE2-CG2 3.38Å; F420-I604 HydrophobicContact CZ-CB 4.07Å; F420-I604 HydrophobicContact CZ-CG2 3.26Å; S424-I604 VanDerWaalsContact OG-CD1 3.31Å; S424-I604 WeakPolarHBondContact OG-CD1 3.49Å; L427-I604 HydrophobicContact CD2-CD1 3.95Å; L427-I604 HydrophobicContact CD2-CG1 4.1Å; F466-I604 HydrophobicContact CE1-CD1 4.21Å; F466-I604 HydrophobicContact CE1-CG1 4.45Å; F466-I604 HydrophobicContact CZ-CD1 4.24Å; F466-I604 HydrophobicContact CZ-CG1 3.98Å; L486-I604 HydrophobicContact CD1-CG2 4.32Å; L486-I604 HydrophobicContact CD2-CG2 3.76Å; G600-I604 WeakPolarHBondContact O-CG1 3.33Å; G600-I604 PolarHBondContact O-N 2.8Å; I604-L607 WeakPolarHBondContact O-CB 3.17Å; I604-L607 PolarHBondContact O-N 2.92Å; I604-C608 PolarHBondContact O-N 3.04Å; I604-C608 PolarHBondContact O-SG 3.35Å; I604-C608 VanDerWaalsContact O-SG 3.4Å
605	W	97.5	Very high	91.8	Very high	88 Å²	88	48.7 Å²	48.7	33%	0.333	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.6	174.6	84.7	0	0	0	112.9	Y405 F409 L601 L602 E603 L607 C608 N609	Y405-W605 HydrophobicContact CD1-CB 4Å; Y405-W605 AromaticContact CD1-CD1 3.3Å; Y405-W605 AromaticContact CD1-CG 3.74Å; Y405-W605 HydrophobicContact CD1-CG 3.74Å; Y405-W605 AromaticContact CD1-NE1 3.98Å; Y405-W605 HydrophobicContact CE1-CB 3.41Å; Y405-W605 VanDerWaalsContact CE1-CB 3.41Å; Y405-W605 AromaticContact CE1-CD1 3.64Å; Y405-W605 AromaticContact CE1-CG 3.69Å; Y405-W605 HydrophobicContact CE1-CG 3.69Å; F409-W605 AromaticContact CD1-CD1 3.97Å; F409-W605 AromaticContact CE1-CD1 3.49Å; F409-W605 VanDerWaalsContact CE1-CD1 3.49Å; F409-W605 HydrophobicContact CE1-CG 4.37Å; F409-W605 AromaticContact CE2-CD1 3.61Å; F409-W605 AromaticContact CE2-NE1 3.69Å; F409-W605 AromaticContact CZ-CD1 3.28Å; F409-W605 HydrophobicContact CZ-CG 4.17Å; F409-W605 AromaticContact CZ-NE1 3.86Å; L601-W605 WeakPolarHBondContact O-CB 3.37Å; L601-W605 PolarHBondContact O-N 3.47Å; L601-W605 VanDerWaalsContact O-N 3.11Å; L602-W605 WeakPolarHBondContact O-CB 3.44Å; L602-W605 PolarHBondContact O-N 3.17Å; E603-W605 VanDerWaalsContact C-N 3.32Å; W605-L607 VanDerWaalsContact C-N 3.35Å; W605-C608 WeakPolarHBondContact O-CB 3.34Å; W605-C608 PolarHBondContact O-N 3.5Å; W605-N609 VanDerWaalsContact CZ2-ND2 3.31Å; W605-N609 WeakPolarHBondContact CZ2-ND2 3.4Å; W605-N609 PolarHBondContact NE1-ND2 2.84Å; W605-N609 PolarHBondContact O-N 2.99Å; W605-N609 PolarHBondContact O-ND2 3.21Å
606	D	97.2	Very high	90.1	Very high	56 Å²	56	47.7 Å²	47.7	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-43.7	174.3	-178.7	47.4	0	0	0	111.3	L602 E603 C608 N609 R610	L602-D606 PolarHBondContact O-N 2.79Å; E603-D606 PolarHBondContact O-N 3.38Å; D606-C608 VanDerWaalsContact C-N 3.35Å; D606-C608 PolarHBondContact O-N 3.49Å; D606-N609 PolarHBondContact O-N 2.67Å; D606-R610 WeakPolarHBondContact O-CB 3.19Å; D606-R610 WeakPolarHBondContact O-CG 3.31Å; D606-R610 PolarHBondContact O-N 2.96Å; D606-R610 IonicContact OD1-CZ 3.82Å; D606-R610 IonicContact OD1-NE 2.67Å; D606-R610 PolarHBondContact OD1-NE 3.21Å; D606-R610 IonicContact OD1-NH2 2.77Å; D606-R610 PolarHBondContact OD1-NH2 3.31Å; D606-R610 IonicContact OD2-CZ 2.84Å; D606-R610 IonicContact OD2-NE 2.84Å; D606-R610 PolarHBondContact OD2-NE 3.02Å; D606-R610 IonicContact OD2-NH2 3.72Å; D606-R610 PolarHBondContact OD2-NH2 2.96Å
607	L	96.8	Very high	87.6	Confident	7 Å²	7	55 Å²	55	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-46.7	174	178.5	63.4	0	0	0	111.8	F466 M470 N479 K482 M483 L486 E603 I604 W605 S611	F466-L607 HydrophobicContact CE2-CD2 4.34Å; M470-L607 HydrophobicContact SD-CD2 4.03Å; N479-L607 HydrophobicContact CB-CD1 4.07Å; K482-L607 HydrophobicContact CB-CD1 3.93Å; K482-L607 HydrophobicContact CB-CD2 3.83Å; M483-L607 HydrophobicContact CE-CD2 4.48Å; M483-L607 HydrophobicContact CE-CG 3.82Å; M483-L607 WeakPolarHBondContact CE-O 3.27Å; L486-L607 HydrophobicContact CD2-CD2 4.42Å; E603-L607 WeakPolarHBondContact O-CB 3.25Å; E603-L607 PolarHBondContact O-N 3.35Å; I604-L607 WeakPolarHBondContact O-CB 3.17Å; I604-L607 PolarHBondContact O-N 2.92Å; W605-L607 VanDerWaalsContact C-N 3.35Å; L607-S611 WeakPolarHBondContact O-CB 3.37Å; L607-S611 PolarHBondContact O-N 2.93Å; L607-S611 VanDerWaalsContact O-N 3.12Å; L607-S611 PolarHBondContact O-OG 3.34Å
608	C	95.8	Very high	85	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-46.6	175.5	-75.5	0	0	0	0	112.9	F409 Q413 M483 I604 W605 D606 A612	F409-C608 HydrophobicContact CE1-CB 4.35Å; F409-C608 HydrophobicContact CZ-CB 3.81Å; Q413-C608 HydrophobicContact CG-CB 4.25Å; M483-C608 VanDerWaalsContact CE-CA 3.46Å; M483-C608 HydrophobicContact CE-CB 4.32Å; I604-C608 PolarHBondContact O-N 3.04Å; I604-C608 PolarHBondContact O-SG 3.35Å; I604-C608 VanDerWaalsContact O-SG 3.4Å; W605-C608 WeakPolarHBondContact O-CB 3.34Å; W605-C608 PolarHBondContact O-N 3.5Å; D606-C608 VanDerWaalsContact C-N 3.35Å; D606-C608 PolarHBondContact O-N 3.49Å; C608-A612 PolarHBondContact O-N 2.83Å; C608-A612 VanDerWaalsContact O-N 3.11Å
609	N	94.1	Very high	82.4	Confident	56 Å²	56	64 Å²	64	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-70.4	-40.6	-177.2	-69.8	-31.7	0	0	0	112.7	W605 D606 A612 A613	W605-N609 VanDerWaalsContact CZ2-ND2 3.31Å; W605-N609 WeakPolarHBondContact CZ2-ND2 3.4Å; W605-N609 PolarHBondContact NE1-ND2 2.84Å; W605-N609 PolarHBondContact O-N 2.99Å; W605-N609 PolarHBondContact O-ND2 3.21Å; D606-N609 PolarHBondContact O-N 2.67Å; N609-A612 PolarHBondContact O-N 2.72Å; N609-A613 PolarHBondContact O-N 3.06Å
610	R	90.8	Very high	79.8	Confident	137 Å²	137	68.9 Å²	68.9	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-65.5	-40.7	177.4	-69.4	-176.8	-167.9	-156.3	15.2	112.2	D606 A612 A613 A614	D606-R610 WeakPolarHBondContact O-CB 3.19Å; D606-R610 WeakPolarHBondContact O-CG 3.31Å; D606-R610 PolarHBondContact O-N 2.96Å; D606-R610 IonicContact OD1-CZ 3.82Å; D606-R610 IonicContact OD1-NE 2.67Å; D606-R610 PolarHBondContact OD1-NE 3.21Å; D606-R610 IonicContact OD1-NH2 2.77Å; D606-R610 PolarHBondContact OD1-NH2 3.31Å; D606-R610 IonicContact OD2-CZ 2.84Å; D606-R610 IonicContact OD2-NE 2.84Å; D606-R610 PolarHBondContact OD2-NE 3.02Å; D606-R610 IonicContact OD2-NH2 3.72Å; D606-R610 PolarHBondContact OD2-NH2 2.96Å; R610-A612 VanDerWaalsContact C-N 3.34Å; R610-A613 PolarHBondContact O-N 2.93Å; R610-A614 WeakPolarHBondContact O-CB 3.45Å; R610-A614 PolarHBondContact O-N 2.81Å
611	S	83.3	Confident	77.3	Confident	27 Å²	27	74.3 Å²	74.3	19%	0.189	43%	0.429	C	S	.	.	H	α-helix	trans	-66.5	-36	176	-66	0	0	0	0	112.5	M483 L607 A614 A615	M483-S611 WeakPolarHBondContact CE-OG 3.39Å; L607-S611 WeakPolarHBondContact O-CB 3.37Å; L607-S611 PolarHBondContact O-N 2.93Å; L607-S611 VanDerWaalsContact O-N 3.12Å; L607-S611 PolarHBondContact O-OG 3.34Å; S611-A614 PolarHBondContact O-N 3.36Å; S611-A615 PolarHBondContact O-N 3.44Å; S611-A615 VanDerWaalsContact O-N 3.11Å
612	A	78.3	Confident	74.5	Confident	47 Å²	47	79.5 Å²	79.5	39%	0.388	47%	0.465	S	S	.	.	H	α-helix	trans	-64.1	-45.1	174.2	0	0	0	0	0	111.6	C608 N609 R610 A614 A615 T616	C608-A612 PolarHBondContact O-N 2.83Å; C608-A612 VanDerWaalsContact O-N 3.11Å; N609-A612 PolarHBondContact O-N 2.72Å; R610-A612 VanDerWaalsContact C-N 3.34Å; A612-A614 VanDerWaalsContact C-N 3.34Å; A612-A614 PolarHBondContact O-N 2.95Å; A612-A615 PolarHBondContact O-N 2.77Å; A612-T616 PolarHBondContact O-N 2.99Å; A612-T616 PolarHBondContact O-OG1 3.19Å
613	A	72.3	Confident	71.9	Confident	56 Å²	56	82.7 Å²	82.7	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-38.3	176.9	0	0	0	0	0	112.8	N609 R610 T616 K617	N609-A613 PolarHBondContact O-N 3.06Å; R610-A613 PolarHBondContact O-N 2.93Å; A613-T616 WeakPolarHBondContact CA-OG1 3.47Å; A613-T616 PolarHBondContact O-N 2.98Å; A613-T616 PolarHBondContact O-OG1 3.12Å; A613-K617 PolarHBondContact O-N 3.28Å
614	A	70	Confident	69.2	Low	69 Å²	69	84.2 Å²	84.2	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-66.5	-34.7	175.9	0	0	0	0	0	112.7	R610 S611 A612 T616	R610-A614 WeakPolarHBondContact O-CB 3.45Å; R610-A614 PolarHBondContact O-N 2.81Å; S611-A614 PolarHBondContact O-N 3.36Å; A612-A614 VanDerWaalsContact C-N 3.34Å; A612-A614 PolarHBondContact O-N 2.95Å; A614-T616 VanDerWaalsContact C-N 3.28Å; A614-T616 PolarHBondContact O-N 3.14Å
615	A	67.8	Low	66.6	Low	87 Å²	87	89 Å²	89	72%	0.719	55%	0.552	S	S	*	*	H	α-helix	trans	-72	-20.2	176.7	0	0	0	0	0	113.6	S611 A612	S611-A615 PolarHBondContact O-N 3.44Å; S611-A615 VanDerWaalsContact O-N 3.11Å; A612-A615 PolarHBondContact O-N 2.77Å
616	T	63.5	Low	64.1	Low	112 Å²	112	87.8 Å²	87.8	69%	0.687	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-7.9	178.6	48	0	0	0	0	114.7	A612 A613 A614	A612-T616 PolarHBondContact O-N 2.99Å; A612-T616 PolarHBondContact O-OG1 3.19Å; A613-T616 WeakPolarHBondContact CA-OG1 3.47Å; A613-T616 PolarHBondContact O-N 2.98Å; A613-T616 PolarHBondContact O-OG1 3.12Å; A614-T616 VanDerWaalsContact C-N 3.28Å; A614-T616 PolarHBondContact O-N 3.14Å
617	K	45.6	Very low	61.7	Low	162 Å²	162	90.9 Å²	90.9	70%	0.704	59%	0.591	S	S	*	*	S	Bend	trans	-80.5	127.7	174.5	-78	-172.2	175	-172.4	0	110.2	A613	A613-K617 PolarHBondContact O-N 3.28Å
618	P	42.5	Very low	59.2	Low	108 Å²	108	96.4 Å²	96.4	70%	0.701	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-63.1	149.1	172.2	25.3	-30.5	0	0	0	110.1	E620	P618-E620 PolarHBondContact O-N 3.4Å
619	P	45.5	Very low	56.6	Low	125 Å²	125	108.3 Å²	108.3	81%	0.812	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.2	123.3	177.7	24	-31	0	0	0	109.3	S621	P619-S621 PolarHBondContact O-N 2.75Å
620	E	43	Very low	54.5	Low	181 Å²	181	115.4 Å²	115.4	85%	0.846	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.5	121.4	173.7	-78.1	178.2	171.5	0	0	108.9	P618 S622	P618-E620 PolarHBondContact O-N 3.4Å; E620-S622 PolarHBondContact O-N 3.42Å
621	S	45.4	Very low	52.6	Low	114 Å²	114	114.5 Å²	114.5	80%	0.797	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62.3	122.4	173.2	52.5	0	0	0	0	109.6	P619	P619-S621 PolarHBondContact O-N 2.75Å
622	S	39.8	Very low	50.9	Low	109 Å²	109	117.1 Å²	117.1	76%	0.762	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-48.7	140.3	173	-54.2	0	0	0	0	111.6	E620 A624	E620-S622 PolarHBondContact O-N 3.42Å; S622-A624 PolarHBondContact O-N 3.22Å
623	P	45.6	Very low	49	Very low	128 Å²	128	128.6 Å²	128.6	83%	0.831	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-65.9	121.9	178.8	25.3	-30.2	0	0	0	109.8	A625	P623-A625 PolarHBondContact O-N 3.18Å
624	A	39.9	Very low	47.8	Very low	98 Å²	98	132.3 Å²	132.3	81%	0.81	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-57.1	131.9	173.9	0	0	0	0	0	110	S622 G626	S622-A624 PolarHBondContact O-N 3.22Å; A624-G626 PolarHBondContact O-N 3.24Å
625	A	43.8	Very low	46.6	Very low	99 Å²	99	135.6 Å²	135.6	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-52.6	127.8	172.8	0	0	0	0	0	110.4	P623	P623-A625 PolarHBondContact O-N 3.18Å
626	G	45	Very low	45.5	Very low	63 Å²	63	138.3 Å²	138.3	65%	0.649	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.4	149.2	177.5	0	0	0	0	0	112.1	A624	A624-G626 PolarHBondContact O-N 3.24Å
627	P	46.8	Very low	44.4	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.5	147.2	-176.9	28.4	-32.6	0	0	0	111.4	R629	P627-R629 PolarHBondContact O-N 3.12Å
628	P	45.1	Very low	44.3	Very low	122 Å²	122	138.4 Å²	138.4	79%	0.792	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-70.1	130.8	179.9	27.6	-31.4	0	0	0	110.9	K630	P628-K630 PolarHBondContact O-N 2.8Å
629	R	41.7	Very low	44.4	Very low	252 Å²	252	140.5 Å²	140.5	95%	0.951	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-55.2	120	167.5	-84.9	178.4	168.2	177.8	-3.7	109.6	P627	P627-R629 PolarHBondContact O-N 3.12Å
630	K	48.4	Very low	44.4	Very low	206 Å²	206	141.6 Å²	141.6	90%	0.896	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-91.7	126.8	162.2	-79.3	-173.2	176.2	-178.6	0	109.8	P628	P628-K630 PolarHBondContact O-N 2.8Å
631	S	51.7	Low	44.5	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-98.8	135.1	170.4	50.1	0	0	0	0	110.9
632	G	47.2	Very low	44.4	Very low	81 Å²	81	140.6 Å²	140.6	84%	0.835	85%	0.852	S	S	*	*			trans	83.4	135.5	163.8	0	0	0	0	0	114.9
633	K	37.8	Very low	44.8	Very low	289 Å²	289	143.5 Å²	143.5	100%	1.257	86%	0.86	S	S	*	*			cis	-137.8	0	11.1	-91.3	179.1	172.5	178.1	0	109.2

Retrieved 633 of 633 residues in 382.6 ms (Link to these results)

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