ERP60_SCHMA Loading...

Probable protein disulfide-isomerase ER-60

AlphaFold DB , UniProt , Accession P38658, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 484 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	48.1	Very low	220 Å²	220	162.1 Å²	162.1	100%	1.084	81%	0.805	S	S	*	*				0	91.8	0	-167.4	165.4	167.4	0	0	108.9
2	R	44.4	Very low	47.7	Very low	249 Å²	249	156.3 Å²	156.3	94%	0.94	80%	0.801	S	S	*	*			trans	-145.7	127.9	166.5	-84	-168.3	170	-161.7	-4	107.5
3	W	48.3	Very low	47.2	Very low	210 Å²	210	159 Å²	159	80%	0.795	80%	0.804	S	S	*	*			trans	-80.9	142.7	-155.3	-74.2	19.2	0	0	0	113.7
4	L	44.6	Very low	46.5	Very low	163 Å²	163	154.5 Å²	154.5	85%	0.853	80%	0.804	S	S	*	*			trans	-67.1	123.9	157.5	-84.3	94.3	0	0	0	109.4
5	L	51.2	Low	46.2	Very low	144 Å²	144	151.5 Å²	151.5	75%	0.754	80%	0.801	S	S	*	*			trans	-125.6	95.6	150	-102.6	107.5	0	0	0	107.1	C7	L5-C7 PolarHBondContact O-N 3.48Å
6	S	51.8	Low	46.5	Very low	103 Å²	103	148.8 Å²	148.8	72%	0.72	80%	0.797	S	S	*	*			trans	-86.9	98.3	167.6	-174	0	0	0	0	107.4	L8	S6-L8 PolarHBondContact O-N 3.17Å
7	C	49.8	Very low	47.9	Very low	96 Å²	96	143.5 Å²	143.5	65%	0.649	77%	0.774	S	S	*	*			trans	-73.9	99.9	169.2	-76.1	0	0	0	0	108.5	L5 F9	L5-C7 PolarHBondContact O-N 3.48Å; C7-F9 PolarHBondContact O-N 3.02Å; C7-F9 VanDerWaalsContact O-N 3.09Å
8	L	53.1	Low	50.1	Low	147 Å²	147	141 Å²	141	77%	0.77	76%	0.755	S	S	*	*			trans	-70	99.3	170	-141.2	89.2	0	0	0	108.3	S6 L10	S6-L8 PolarHBondContact O-N 3.17Å; L8-L10 PolarHBondContact O-N 2.87Å; L8-L10 VanDerWaalsContact O-N 3.11Å
9	F	47.3	Very low	52.6	Low	187 Å²	187	134.1 Å²	134.1	82%	0.82	72%	0.718	S	S	*	*			trans	-70.6	99.8	168.2	-96.1	-92.5	0	0	0	109	C7 V11	C7-F9 PolarHBondContact O-N 3.02Å; C7-F9 VanDerWaalsContact O-N 3.09Å; F9-V11 PolarHBondContact O-N 2.89Å; F9-V11 VanDerWaalsContact O-N 3.09Å
10	L	48.1	Very low	54.7	Low	157 Å²	157	130.2 Å²	130.2	82%	0.822	70%	0.697	S	S	*	*			trans	-70.6	94.2	162.3	-92.7	153.7	0	0	0	108.2	L8 A12	L8-L10 PolarHBondContact O-N 2.87Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L10-A12 PolarHBondContact O-N 3.2Å; L10-A12 VanDerWaalsContact O-N 3.08Å
11	V	45.2	Very low	56.7	Low	107 Å²	107	128.9 Å²	128.9	65%	0.648	69%	0.687	S	S	*	*			trans	-72.4	97.2	165.6	179.9	0	0	0	0	107.2	F9 F13	F9-V11 PolarHBondContact O-N 2.89Å; F9-V11 VanDerWaalsContact O-N 3.09Å; V11-F13 HydrophobicContact CG1-CD2 4.24Å; V11-F13 HydrophobicContact CG1-CE2 4.21Å; V11-F13 PolarHBondContact O-N 3.1Å
12	A	43.5	Very low	59.2	Low	92 Å²	92	118.7 Å²	118.7	76%	0.76	64%	0.636	S	S	*	*			trans	-67.5	101.1	167.9	0	0	0	0	0	108.4	L10 A14	L10-A12 PolarHBondContact O-N 3.2Å; L10-A12 VanDerWaalsContact O-N 3.08Å; A12-A14 VanDerWaalsContact C-N 3.31Å; A12-A14 PolarHBondContact O-N 3.35Å
13	F	41.4	Very low	61.7	Low	192 Å²	192	108.9 Å²	108.9	84%	0.842	61%	0.605	S	S	*	*			trans	-65.8	94.7	163.7	-87.1	-90.7	0	0	0	108	V11 S15	V11-F13 HydrophobicContact CG1-CD2 4.24Å; V11-F13 HydrophobicContact CG1-CE2 4.21Å; V11-F13 PolarHBondContact O-N 3.1Å; F13-S15 VanDerWaalsContact C-N 3.25Å; F13-S15 PolarHBondContact O-N 2.83Å
14	A	36.8	Very low	63.9	Low	96 Å²	96	105.6 Å²	105.6	79%	0.793	60%	0.596	S	S	*	*			trans	-68.1	90.5	162.4	0	0	0	0	0	107.6	A12 C16	A12-A14 VanDerWaalsContact C-N 3.31Å; A12-A14 PolarHBondContact O-N 3.35Å; A14-C16 PolarHBondContact O-N 3.27Å
15	S	42.3	Very low	66.3	Low	109 Å²	109	104.9 Å²	104.9	76%	0.762	59%	0.593	S	S	*	*			trans	-66.5	100.2	167	46.6	0	0	0	0	107.5	F13 S17	F13-S15 VanDerWaalsContact C-N 3.25Å; F13-S15 PolarHBondContact O-N 2.83Å; S15-S17 PolarHBondContact O-N 2.78Å
16	C	50.7	Low	68.4	Low	109 Å²	109	100.3 Å²	100.3	74%	0.736	57%	0.569	S	S	*	*			trans	-68.6	78.9	173	-170.4	0	0	0	0	108.5	A14 K18	A14-C16 PolarHBondContact O-N 3.27Å; C16-K18 PolarHBondContact O-N 2.86Å
17	S	71.1	Confident	70.6	Confident	59 Å²	59	95.4 Å²	95.4	41%	0.413	54%	0.535	S	S	.	.			trans	-69	121.7	171	-171.9	0	0	0	0	108.1	S15 V19	S15-S17 PolarHBondContact O-N 2.78Å; S17-V19 PolarHBondContact O-N 2.98Å
18	K	87.8	Confident	72.8	Confident	98 Å²	98	94.8 Å²	94.8	43%	0.426	52%	0.522	S	S	.	.	S	Bend	trans	-70.8	-7.9	174.1	-70.7	-65.2	-170.3	177.7	0	113.3	C16 A60 Q61	C16-K18 PolarHBondContact O-N 2.86Å; K18-A60 HydrophobicContact CB-CB 3.79Å; K18-Q61 VanDerWaalsContact CG-OE1 3.28Å
19	V	96.3	Very high	74.8	Confident	9 Å²	9	91.3 Å²	91.3	6%	0.055	51%	0.51	C	S	.	.	S	Bend	trans	-84.1	120.3	175.6	-177.5	0	0	0	0	108.6	S17 F56 A60 L72 K74	S17-V19 PolarHBondContact O-N 2.98Å; V19-F56 HydrophobicContact CG1-CD1 3.95Å; V19-F56 HydrophobicContact CG1-CE1 3.77Å; V19-F56 HydrophobicContact CG2-CD1 3.92Å; V19-F56 HydrophobicContact CG2-CE1 4.39Å; V19-A60 HydrophobicContact CG2-CB 3.71Å; V19-L72 WeakPolarHBondContact CA-O 3.38Å; V19-K74 HydrophobicContact CG1-CB 3.94Å; V19-K74 HydrophobicContact CG1-CD 4.05Å; V19-K74 HydrophobicContact CG1-CG 3.83Å
20	L	95.7	Very high	77.2	Confident	56 Å²	56	86 Å²	86	29%	0.293	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.1	176.5	-62.4	179.9	0	0	0	110.4	I34 K71 L72 V73 K74	L20-I34 HydrophobicContact CD1-CD1 3.99Å; L20-K71 HydrophobicContact CD1-CB 4.37Å; L20-K71 HydrophobicContact CD1-CD 3.58Å; L20-K71 HydrophobicContact CG-CD 4.49Å; L20-L72 PolarHBondContact N-O 3.44Å; L20-V73 HydrophobicContact CB-CG2 4.26Å; L20-V73 CarbonylContact O-C 3.5Å; L20-V73 VanDerWaalsContact O-CA 3.25Å; L20-V73 WeakPolarHBondContact O-CA 3.4Å; L20-K74 PolarHBondContact O-N 3.16Å
21	E	97	Very high	79.5	Confident	103 Å²	103	78.5 Å²	78.5	48%	0.481	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.1	171	-169.3	157.4	-169.1	0	0	108.6	K74	E21-K74 HydrophobicContact CB-CG 4.23Å; E21-K74 VanDerWaalsContact CD-NZ 3.35Å; E21-K74 HydrophobicContact CG-CG 4.28Å; E21-K74 IonicContact OE1-NZ 3.91Å; E21-K74 WeakPolarHBondContact OE2-CE 3.28Å; E21-K74 IonicContact OE2-NZ 3.83Å; E21-K74 PolarHBondContact OE2-NZ 3.35Å
22	L	97.3	Very high	81.9	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.031	45%	0.449	C	S	.	.			trans	-112.6	146.2	-178.8	-60.8	-175.1	0	0	0	110.7	N26 F27 E30 L31 V73 K74	L22-N26 WeakPolarHBondContact CA-OD1 3.3Å; L22-F27 HydrophobicContact CB-CB 4.4Å; L22-F27 HydrophobicContact CB-CD2 3.9Å; L22-F27 HydrophobicContact CD1-CD2 4.18Å; L22-E30 HydrophobicContact CD1-CB 3.84Å; L22-E30 HydrophobicContact CD2-CB 3.75Å; L22-E30 HydrophobicContact CD2-CG 3.75Å; L22-E30 HydrophobicContact CG-CB 4.49Å; L22-L31 HydrophobicContact CD1-CD2 4.28Å; L22-L31 HydrophobicContact CD1-CG 4.18Å; L22-V73 HydrophobicContact CB-CG1 4.14Å; L22-V73 HydrophobicContact CD1-CG1 3.62Å; L22-V73 HydrophobicContact CD1-CG2 4.32Å; L22-V73 HydrophobicContact CG-CG1 3.67Å; L22-K74 PolarHBondContact N-O 2.89Å
23	T	97.1	Very high	84.3	Confident	44 Å²	44	79.6 Å²	79.6	27%	0.27	44%	0.437	S	S	.	.			trans	-122.8	174.7	178.8	68.1	0	0	0	0	109.6	D25 N26 F27	T23-D25 PolarHBondContact O-N 2.78Å; T23-N26 PolarHBondContact N-OD1 2.76Å; T23-N26 PolarHBondContact O-N 2.9Å; T23-N26 VanDerWaalsContact O-N 3.11Å; T23-N26 PolarHBondContact O-OD1 3.43Å; T23-N26 VanDerWaalsContact O-OD1 3.12Å; T23-F27 VanDerWaalsContact O-CB 3.26Å; T23-F27 WeakPolarHBondContact O-CB 3.26Å; T23-F27 PolarHBondContact O-N 3.43Å
24	K	94	Very high	86.7	Confident	141 Å²	141	70.5 Å²	70.5	61%	0.613	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.8	179.7	-173.1	-178	178.5	-178.7	0	112.8
25	D	94.5	Very high	89.3	Confident	148 Å²	148	68.1 Å²	68.1	79%	0.791	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.2	-175.4	-57.4	-35.3	0	0	0	113.2	T23	T23-D25 PolarHBondContact O-N 2.78Å
26	N	96	Very high	91.8	Very high	47 Å²	47	63 Å²	63	25%	0.251	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-7.2	-172.6	69.7	1	0	0	0	114.8	L22 T23 H28 S29 E30	L22-N26 WeakPolarHBondContact CA-OD1 3.3Å; T23-N26 PolarHBondContact N-OD1 2.76Å; T23-N26 PolarHBondContact O-N 2.9Å; T23-N26 VanDerWaalsContact O-N 3.11Å; T23-N26 PolarHBondContact O-OD1 3.43Å; T23-N26 VanDerWaalsContact O-OD1 3.12Å; N26-H28 PolarHBondContact O-N 2.86Å; N26-S29 PolarHBondContact O-N 3.3Å; N26-S29 PolarHBondContact O-OG 3.43Å; N26-E30 HydrophobicContact CB-CG 3.97Å; N26-E30 VanDerWaalsContact O-CB 3.24Å; N26-E30 WeakPolarHBondContact O-CB 3.27Å; N26-E30 VanDerWaalsContact O-CG 3.26Å; N26-E30 WeakPolarHBondContact O-CG 3.49Å; N26-E30 PolarHBondContact O-N 2.95Å
27	F	97.3	Very high	94	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-52.8	-56.6	-173.2	-175.7	-94.1	0	0	0	113.1	L22 T23 L31 V39 F41 V75 I83 F87 F98	L22-F27 HydrophobicContact CB-CB 4.4Å; L22-F27 HydrophobicContact CB-CD2 3.9Å; L22-F27 HydrophobicContact CD1-CD2 4.18Å; T23-F27 VanDerWaalsContact O-CB 3.26Å; T23-F27 WeakPolarHBondContact O-CB 3.26Å; T23-F27 PolarHBondContact O-N 3.43Å; F27-L31 HydrophobicContact CD1-CD1 3.91Å; F27-L31 HydrophobicContact CD2-CD1 4.36Å; F27-L31 HydrophobicContact CE1-CD1 3.34Å; F27-L31 HydrophobicContact CE2-CD1 3.86Å; F27-L31 HydrophobicContact CG-CD1 4.39Å; F27-L31 HydrophobicContact CZ-CD1 3.33Å; F27-L31 HydrophobicContact CZ-CG 4.47Å; F27-L31 WeakPolarHBondContact O-CB 3.04Å; F27-L31 VanDerWaalsContact O-CG 3.28Å; F27-L31 WeakPolarHBondContact O-CG 3.14Å; F27-L31 PolarHBondContact O-N 2.93Å; F27-V39 HydrophobicContact CE2-CG1 4Å; F27-V39 HydrophobicContact CE2-CG2 4.42Å; F27-V39 HydrophobicContact CZ-CG1 4.4Å; F27-V39 HydrophobicContact CZ-CG2 4.46Å; F27-F41 HydrophobicContact CE2-CE1 4.49Å; F27-F41 HydrophobicContact CZ-CE1 4.43Å; F27-F41 HydrophobicContact CZ-CZ 4.18Å; F27-V75 HydrophobicContact CD2-CG2 3.78Å; F27-V75 HydrophobicContact CE2-CG2 3.58Å; F27-I83 HydrophobicContact CB-CD1 3.93Å; F27-I83 HydrophobicContact CD1-CG2 4.01Å; F27-I83 HydrophobicContact CD2-CD1 4.1Å; F27-I83 HydrophobicContact CD2-CG2 3.97Å; F27-I83 HydrophobicContact CE1-CG2 3.93Å; F27-I83 HydrophobicContact CE2-CG2 3.89Å; F27-I83 HydrophobicContact CG-CD1 4.04Å; F27-I83 HydrophobicContact CG-CG2 4.03Å; F27-I83 HydrophobicContact CZ-CG2 3.85Å; F27-F87 HydrophobicContact CD1-CE2 4.25Å; F27-F87 HydrophobicContact CE1-CD2 4.3Å; F27-F87 AromaticContact CE1-CE2 3.3Å; F27-F87 HydrophobicContact CE1-CE2 3.3Å; F27-F87 AromaticContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CZ-CD2 4.33Å; F27-F87 AromaticContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CZ 4.34Å; F27-F98 HydrophobicContact CE1-CE1 4.37Å; F27-F98 HydrophobicContact CE1-CZ 4.38Å; F27-F98 HydrophobicContact CZ-CE1 4.38Å; F27-F98 HydrophobicContact CZ-CE2 4.48Å; F27-F98 AromaticContact CZ-CZ 4Å; F27-F98 HydrophobicContact CZ-CZ 4Å
28	H	96.3	Very high	95.3	Very high	82 Å²	82	55 Å²	55	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-69.8	-38.4	-176.6	-75.3	-72.4	0	0	0	113.2	N26 K32 E86	N26-H28 PolarHBondContact O-N 2.86Å; H28-K32 VanDerWaalsContact O-CG 3.31Å; H28-K32 WeakPolarHBondContact O-CG 3.36Å; H28-K32 PolarHBondContact O-N 2.71Å; H28-E86 IonicContact CE1-OE1 2.84Å; H28-E86 PolarHBondContact CE1-OE1 2.86Å; H28-E86 IonicContact CE1-OE2 2.78Å; H28-E86 IonicContact NE2-OE1 3.86Å; H28-E86 PolarHBondContact NE2-OE1 2.87Å; H28-E86 VanDerWaalsContact NE2-OE1 3.16Å; H28-E86 IonicContact NE2-OE2 2.73Å; H28-E86 PolarHBondContact NE2-OE2 2.64Å; H28-E86 VanDerWaalsContact NE2-OE2 3.16Å
29	S	96	Very high	95.8	Very high	75 Å²	75	50.4 Å²	50.4	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-69.6	-41.8	179.5	51.6	0	0	0	0	112.1	N26	N26-S29 PolarHBondContact O-N 3.3Å; N26-S29 PolarHBondContact O-OG 3.43Å
30	E	96.4	Very high	95.9	Very high	74 Å²	74	50.4 Å²	50.4	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-44	179.3	-71.9	-71.2	159.9	0	0	111	L22 N26 K32 S33 I34	L22-E30 HydrophobicContact CD1-CB 3.84Å; L22-E30 HydrophobicContact CD2-CB 3.75Å; L22-E30 HydrophobicContact CD2-CG 3.75Å; L22-E30 HydrophobicContact CG-CB 4.49Å; N26-E30 HydrophobicContact CB-CG 3.97Å; N26-E30 VanDerWaalsContact O-CB 3.24Å; N26-E30 WeakPolarHBondContact O-CB 3.27Å; N26-E30 VanDerWaalsContact O-CG 3.26Å; N26-E30 WeakPolarHBondContact O-CG 3.49Å; N26-E30 PolarHBondContact O-N 2.95Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 2.98Å; E30-S33 WeakPolarHBondContact O-CB 3.36Å; E30-S33 PolarHBondContact O-N 3.14Å; E30-S33 PolarHBondContact O-OG 3.05Å; E30-I34 WeakPolarHBondContact O-CG1 3.23Å; E30-I34 PolarHBondContact O-N 2.68Å
31	L	96.7	Very high	96	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-33.6	178.5	-73.5	-176.1	0	0	0	113.3	L22 F27 S33 I34 A37 V39 V73 F98 G101	L22-L31 HydrophobicContact CD1-CD2 4.28Å; L22-L31 HydrophobicContact CD1-CG 4.18Å; F27-L31 HydrophobicContact CD1-CD1 3.91Å; F27-L31 HydrophobicContact CD2-CD1 4.36Å; F27-L31 HydrophobicContact CE1-CD1 3.34Å; F27-L31 HydrophobicContact CE2-CD1 3.86Å; F27-L31 HydrophobicContact CG-CD1 4.39Å; F27-L31 HydrophobicContact CZ-CD1 3.33Å; F27-L31 HydrophobicContact CZ-CG 4.47Å; F27-L31 WeakPolarHBondContact O-CB 3.04Å; F27-L31 VanDerWaalsContact O-CG 3.28Å; F27-L31 WeakPolarHBondContact O-CG 3.14Å; F27-L31 PolarHBondContact O-N 2.93Å; L31-S33 PolarHBondContact O-N 3.28Å; L31-I34 HydrophobicContact CD2-CD1 4.37Å; L31-I34 PolarHBondContact O-N 2.66Å; L31-I34 VanDerWaalsContact O-N 3.13Å; L31-A37 HydrophobicContact CD2-CB 3.54Å; L31-V39 HydrophobicContact CD1-CG2 4.31Å; L31-V39 HydrophobicContact CD2-CG2 4.06Å; L31-V73 HydrophobicContact CD2-CG2 4.21Å; L31-F98 HydrophobicContact CD1-CB 4.43Å; L31-F98 HydrophobicContact CD1-CD1 3.71Å; L31-F98 HydrophobicContact CD1-CD2 4.34Å; L31-F98 HydrophobicContact CD1-CE1 3.94Å; L31-F98 HydrophobicContact CD1-CG 3.91Å; L31-F98 HydrophobicContact CD1-CZ 4.37Å; L31-G101 PolarHBondContact O-N 3.43Å; L31-G101 VanDerWaalsContact O-N 3.16Å
32	K	94.9	Very high	96	Very high	150 Å²	150	44.2 Å²	44.2	65%	0.652	23%	0.231	S	C	*	.	H	α-helix	trans	-62.7	-27.1	173.4	-77.1	174.8	-178	-179	0	113.3	H28 E30 I34	H28-K32 VanDerWaalsContact O-CG 3.31Å; H28-K32 WeakPolarHBondContact O-CG 3.36Å; H28-K32 PolarHBondContact O-N 2.71Å; E30-K32 VanDerWaalsContact C-N 3.29Å; E30-K32 PolarHBondContact O-N 2.98Å; K32-I34 VanDerWaalsContact C-N 3.32Å
33	S	93.8	Very high	96	Very high	72 Å²	72	44 Å²	44	50%	0.503	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.6	177.7	79	0	0	0	0	113.7	E30 L31	E30-S33 WeakPolarHBondContact O-CB 3.36Å; E30-S33 PolarHBondContact O-N 3.14Å; E30-S33 PolarHBondContact O-OG 3.05Å; L31-S33 PolarHBondContact O-N 3.28Å
34	I	93.4	Very high	95.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.235	C	C	.	.			trans	-109.1	115.8	-175.4	-59.1	164.9	0	0	0	108.4	L20 E30 L31 K32 V36 A37 K71 V73 N100	L20-I34 HydrophobicContact CD1-CD1 3.99Å; E30-I34 WeakPolarHBondContact O-CG1 3.23Å; E30-I34 PolarHBondContact O-N 2.68Å; L31-I34 HydrophobicContact CD2-CD1 4.37Å; L31-I34 PolarHBondContact O-N 2.66Å; L31-I34 VanDerWaalsContact O-N 3.13Å; K32-I34 VanDerWaalsContact C-N 3.32Å; I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 VanDerWaalsContact CG2-O 3.27Å; I34-V36 WeakPolarHBondContact CG2-O 3.2Å; I34-V36 PolarHBondContact O-N 2.72Å; I34-A37 HydrophobicContact CB-CB 4.43Å; I34-A37 HydrophobicContact CG2-CB 3.88Å; I34-K71 HydrophobicContact CD1-CB 4.17Å; I34-K71 HydrophobicContact CD1-CD 3.94Å; I34-K71 HydrophobicContact CD1-CG 4.44Å; I34-K71 HydrophobicContact CG1-CD 3.89Å; I34-K71 HydrophobicContact CG1-CG 4.35Å; I34-K71 HydrophobicContact CG2-CB 3.93Å; I34-K71 HydrophobicContact CG2-CD 4.44Å; I34-K71 HydrophobicContact CG2-CG 3.98Å; I34-V73 HydrophobicContact CD1-CG2 4.42Å; I34-N100 PolarHBondContact O-N 3.09Å
35	P	91.3	Very high	95.9	Very high	46 Å²	46	46.2 Å²	46.2	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-56.3	-45.2	-179.4	-27.7	34.9	0	0	0	113.1	D69 R99 N100	P35-D69 HydrophobicContact CB-CB 4.1Å; P35-D69 WeakPolarHBondContact CB-O 3.28Å; P35-D69 WeakPolarHBondContact CD-O 3.42Å; P35-D69 HydrophobicContact CG-CB 4.04Å; P35-R99 VanDerWaalsContact O-CA 3.27Å; P35-R99 WeakPolarHBondContact O-CA 3.35Å; P35-R99 WeakPolarHBondContact O-CG 3.35Å; P35-N100 WeakPolarHBondContact CA-OD1 3.47Å; P35-N100 PolarHBondContact O-N 3.08Å
36	V	94	Very high	95.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.3	172.2	-177.5	0	0	0	0	110.7	I34 D69 V70 K71 I97 F98 R99 M120 A124	I34-V36 VanDerWaalsContact C-N 3.33Å; I34-V36 VanDerWaalsContact CG2-O 3.27Å; I34-V36 WeakPolarHBondContact CG2-O 3.2Å; I34-V36 PolarHBondContact O-N 2.72Å; V36-D69 PolarHBondContact N-O 2.88Å; V36-V70 HydrophobicContact CB-CG2 4.42Å; V36-V70 VanDerWaalsContact O-CA 3.25Å; V36-V70 WeakPolarHBondContact O-CA 3.3Å; V36-K71 PolarHBondContact O-N 3.32Å; V36-K71 VanDerWaalsContact O-N 3.08Å; V36-I97 HydrophobicContact CG1-CG2 4.2Å; V36-F98 CarbonylContact C-O 3.54Å; V36-F98 WeakPolarHBondContact CA-O 3.18Å; V36-R99 VanDerWaalsContact CG2-NH1 3.32Å; V36-M120 HydrophobicContact CG1-CE 3.5Å; V36-A124 HydrophobicContact CB-CB 3.87Å; V36-A124 HydrophobicContact CG2-CB 3.59Å
37	A	96.8	Very high	95.9	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.7	175.5	0	0	0	0	0	111.3	L31 I34 K71 V73 I97 F98	L31-A37 HydrophobicContact CD2-CB 3.54Å; I34-A37 HydrophobicContact CB-CB 4.43Å; I34-A37 HydrophobicContact CG2-CB 3.88Å; A37-K71 VanDerWaalsContact CA-O 3.28Å; A37-K71 WeakPolarHBondContact CA-O 3.46Å; A37-V73 HydrophobicContact CB-CG2 4.25Å; A37-I97 CarbonylContact O-C 3.57Å; A37-I97 WeakPolarHBondContact O-CA 3.3Å; A37-F98 HydrophobicContact CB-CB 4.31Å; A37-F98 PolarHBondContact N-O 3.15Å; A37-F98 PolarHBondContact O-N 2.74Å
38	L	97.9	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.1	163.3	173.1	66.6	0	0	0	108.5	F56 K71 L72 V73 L95 I97 Y107 I116 M120	L38-F56 HydrophobicContact CD2-CE2 3.78Å; L38-F56 HydrophobicContact CD2-CZ 4.44Å; L38-F56 HydrophobicContact CG-CE2 4.02Å; L38-F56 HydrophobicContact CG-CZ 4.28Å; L38-K71 PolarHBondContact N-O 3.46Å; L38-K71 VanDerWaalsContact N-O 3.08Å; L38-L72 HydrophobicContact CB-CD2 3.56Å; L38-L72 HydrophobicContact CD2-CD2 3.88Å; L38-L72 HydrophobicContact CG-CD2 4.14Å; L38-V73 PolarHBondContact O-N 2.87Å; L38-L95 HydrophobicContact CD1-CB 4.11Å; L38-I97 HydrophobicContact CD1-CG1 4.03Å; L38-Y107 HydrophobicContact CD1-CD2 3.81Å; L38-Y107 HydrophobicContact CD1-CG 3.8Å; L38-Y107 HydrophobicContact CD2-CD2 3.96Å; L38-Y107 HydrophobicContact CD2-CE2 4.12Å; L38-Y107 HydrophobicContact CD2-CG 4.33Å; L38-I116 HydrophobicContact CD2-CG2 3.74Å; L38-M120 HydrophobicContact CB-CE 3.63Å; L38-M120 HydrophobicContact CB-CG 4.04Å; L38-M120 HydrophobicContact CB-SD 3.67Å; L38-M120 HydrophobicContact CD1-SD 4.26Å; L38-M120 HydrophobicContact CD2-CG 3.85Å; L38-M120 HydrophobicContact CD2-SD 3.93Å; L38-M120 HydrophobicContact CG-SD 4.18Å
39	V	98.4	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.7	-177.4	-176.2	0	0	0	0	109.3	F27 L31 F41 V73 V75 L95 K96 F98	F27-V39 HydrophobicContact CE2-CG1 4Å; F27-V39 HydrophobicContact CE2-CG2 4.42Å; F27-V39 HydrophobicContact CZ-CG1 4.4Å; F27-V39 HydrophobicContact CZ-CG2 4.46Å; L31-V39 HydrophobicContact CD1-CG2 4.31Å; L31-V39 HydrophobicContact CD2-CG2 4.06Å; V39-F41 HydrophobicContact CB-CE2 3.94Å; V39-F41 HydrophobicContact CB-CZ 4.19Å; V39-F41 HydrophobicContact CG1-CD1 4.33Å; V39-F41 HydrophobicContact CG1-CD2 4.07Å; V39-F41 HydrophobicContact CG1-CE1 3.89Å; V39-F41 HydrophobicContact CG1-CE2 3.6Å; V39-F41 HydrophobicContact CG1-CG 4.43Å; V39-F41 HydrophobicContact CG1-CZ 3.51Å; V39-V73 CarbonylContact C-O 3.57Å; V39-V73 WeakPolarHBondContact CA-O 3.5Å; V39-V73 HydrophobicContact CB-CB 4.46Å; V39-V73 HydrophobicContact CG1-CG1 4.24Å; V39-V73 HydrophobicContact CG2-CB 4Å; V39-V73 HydrophobicContact CG2-CG1 4.23Å; V39-V75 HydrophobicContact CG1-CG2 3.91Å; V39-L95 WeakPolarHBondContact O-CA 3.39Å; V39-K96 PolarHBondContact N-O 3.46Å; V39-K96 PolarHBondContact O-N 3.18Å; V39-F98 HydrophobicContact CB-CD2 4.07Å; V39-F98 HydrophobicContact CB-CE2 3.82Å; V39-F98 HydrophobicContact CG2-CD2 3.37Å; V39-F98 HydrophobicContact CG2-CE2 3.48Å; V39-F98 VanDerWaalsContact CG2-CE2 3.48Å; V39-F98 HydrophobicContact CG2-CG 4.31Å; V39-F98 HydrophobicContact CG2-CZ 4.48Å
40	K	98.2	Very high	95.6	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.7	171.1	-178.4	-175.1	72.8	174	0	110.5	L52 F56 V73 K74 V75 P93 L95	K40-L52 HydrophobicContact CD-CD2 4Å; K40-L52 HydrophobicContact CD-CG 4.42Å; K40-L52 HydrophobicContact CG-CD2 4.47Å; K40-F56 HydrophobicContact CB-CD1 4.49Å; K40-F56 HydrophobicContact CB-CD2 4.48Å; K40-F56 HydrophobicContact CB-CE1 3.9Å; K40-F56 HydrophobicContact CB-CE2 3.92Å; K40-F56 HydrophobicContact CB-CZ 3.59Å; K40-F56 HydrophobicContact CD-CD1 4.35Å; K40-F56 HydrophobicContact CD-CD2 4.37Å; K40-F56 HydrophobicContact CD-CG 4.24Å; K40-V73 PolarHBondContact N-O 3.45Å; K40-K74 WeakPolarHBondContact O-CA 3.35Å; K40-V75 PolarHBondContact O-N 2.98Å; K40-P93 HydrophobicContact CG-CB 4.37Å; K40-L95 HydrophobicContact CB-CD2 3.53Å; K40-L95 HydrophobicContact CD-CD2 4.48Å; K40-L95 HydrophobicContact CG-CD2 3.63Å
41	F	98.4	Very high	95.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.5	168.7	-61	-80.4	0	0	0	109.1	F27 V39 V75 I83 F87 V89 P93 T94 K96 F98	F27-F41 HydrophobicContact CE2-CE1 4.49Å; F27-F41 HydrophobicContact CZ-CE1 4.43Å; F27-F41 HydrophobicContact CZ-CZ 4.18Å; V39-F41 HydrophobicContact CB-CE2 3.94Å; V39-F41 HydrophobicContact CB-CZ 4.19Å; V39-F41 HydrophobicContact CG1-CD1 4.33Å; V39-F41 HydrophobicContact CG1-CD2 4.07Å; V39-F41 HydrophobicContact CG1-CE1 3.89Å; V39-F41 HydrophobicContact CG1-CE2 3.6Å; V39-F41 HydrophobicContact CG1-CG 4.43Å; V39-F41 HydrophobicContact CG1-CZ 3.51Å; F41-V75 HydrophobicContact CD1-CB 3.96Å; F41-V75 HydrophobicContact CD1-CG1 4.19Å; F41-V75 HydrophobicContact CE1-CB 4.23Å; F41-V75 HydrophobicContact CE1-CG1 4.4Å; F41-V75 HydrophobicContact CE1-CG2 4.32Å; F41-I83 HydrophobicContact CE1-CG2 3.95Å; F41-F87 HydrophobicContact CE1-CD2 4.16Å; F41-F87 HydrophobicContact CZ-CB 4.2Å; F41-F87 AromaticContact CZ-CD2 3.78Å; F41-F87 HydrophobicContact CZ-CD2 3.78Å; F41-F87 HydrophobicContact CZ-CG 4.15Å; F41-V89 HydrophobicContact CB-CG1 4.07Å; F41-V89 HydrophobicContact CB-CG2 3.85Å; F41-V89 HydrophobicContact CD1-CG2 4.06Å; F41-V89 HydrophobicContact CD2-CG2 3.92Å; F41-V89 HydrophobicContact CE2-CG2 4.49Å; F41-V89 HydrophobicContact CG-CG2 3.67Å; F41-P93 WeakPolarHBondContact O-CA 3.48Å; F41-T94 PolarHBondContact N-O 2.88Å; F41-T94 PolarHBondContact O-N 3.28Å; F41-K96 HydrophobicContact CE2-CB 4.1Å; F41-K96 HydrophobicContact CE2-CD 4.11Å; F41-K96 HydrophobicContact CE2-CG 4.26Å; F41-F98 HydrophobicContact CE2-CE2 4.33Å; F41-F98 HydrophobicContact CZ-CE2 4.32Å; F41-F98 HydrophobicContact CZ-CZ 4.33Å
42	Y	98.1	Very high	95.4	Very high	30 Å²	30	50.2 Å²	50.2	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	166.9	-172	78.5	-81	0	0	0	112.9	P44 C49 K74 V75 D76 C77	Y42-P44 HydrophobicContact CE2-CG 4.19Å; Y42-C49 VanDerWaalsContact CB-SG 3.57Å; Y42-K74 HydrophobicContact CD1-CB 4.13Å; Y42-K74 HydrophobicContact CE1-CB 3.77Å; Y42-K74 HydrophobicContact CE1-CD 4.08Å; Y42-K74 HydrophobicContact CE1-CG 4.05Å; Y42-V75 WeakPolarHBondContact CD1-O 3.42Å; Y42-V75 PolarHBondContact N-O 3.16Å; Y42-D76 HydrophobicContact CE1-CB 4.14Å; Y42-D76 HydrophobicContact CE2-CB 4.45Å; Y42-C77 PolarHBondContact O-N 3.31Å
43	A	97	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.			trans	-122.2	136.9	165.9	0	0	0	0	0	109.8	W45 C46 T78 Y92	A43-W45 HydrophobicContact CB-CD2 4.03Å; A43-W45 HydrophobicContact CB-CG 4.47Å; A43-W45 HydrophobicContact CB-CH2 4.31Å; A43-W45 HydrophobicContact CB-CZ2 3.69Å; A43-W45 PolarHBondContact O-N 3.37Å; A43-C46 HydrophobicContact CB-CB 4.36Å; A43-C46 WeakPolarHBondContact O-CB 3.49Å; A43-C46 PolarHBondContact O-N 3.14Å; A43-T78 HydrophobicContact CB-CG2 3.75Å; A43-Y92 HydrophobicContact CB-CD2 3.69Å; A43-Y92 HydrophobicContact CB-CE2 3.94Å; A43-Y92 HydrophobicContact CB-CG 4.12Å
44	P	95.2	Very high	95.6	Very high	59 Å²	59	44.5 Å²	44.5	38%	0.383	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.6	-175.8	-27.3	34.8	0	0	0	114.2	Y42 K50 D76	Y42-P44 HydrophobicContact CE2-CG 4.19Å; P44-K50 WeakPolarHBondContact O-CE 3.33Å; P44-D76 VanDerWaalsContact CD-OD1 3.29Å; P44-D76 WeakPolarHBondContact CD-OD1 3.34Å; P44-D76 WeakPolarHBondContact CD-OD2 3.25Å; P44-D76 WeakPolarHBondContact CG-OD2 3.4Å
45	W	93.5	Very high	95.7	Very high	173 Å²	173	48 Å²	48	66%	0.655	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	-179.9	50	-103.8	0	0	0	113.6	A43 G47 Y92	A43-W45 HydrophobicContact CB-CD2 4.03Å; A43-W45 HydrophobicContact CB-CG 4.47Å; A43-W45 HydrophobicContact CB-CH2 4.31Å; A43-W45 HydrophobicContact CB-CZ2 3.69Å; A43-W45 PolarHBondContact O-N 3.37Å; W45-G47 PolarHBondContact O-N 3.1Å; W45-Y92 HydrophobicContact CH2-CD2 4.16Å; W45-Y92 HydrophobicContact CH2-CE2 4.43Å; W45-Y92 HydrophobicContact CZ2-CD2 4.36Å; W45-Y92 HydrophobicContact CZ2-CE2 4.3Å
46	C	94.9	Very high	96	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.088	23%	0.234	C	C	.	.			trans	-75.6	123.1	-174.5	174.2	0	0	0	0	112.8	A43 H48 C49 K50 Y92	A43-C46 HydrophobicContact CB-CB 4.36Å; A43-C46 WeakPolarHBondContact O-CB 3.49Å; A43-C46 PolarHBondContact O-N 3.14Å; C46-H48 PolarHBondContact O-N 2.76Å; C46-C49 HydrophobicContact CB-CB 3.86Å; C46-C49 VanDerWaalsContact CB-SG 3.56Å; C46-C49 WeakPolarHBondContact O-CB 3.49Å; C46-C49 PolarHBondContact O-N 2.9Å; C46-C49 PolarHBondContact SG-SG 3.24Å; C46-K50 WeakPolarHBondContact O-CG 3.48Å; C46-K50 PolarHBondContact O-N 2.97Å; C46-Y92 PolarHBondContact SG-O 2.91Å; C46-Y92 VanDerWaalsContact SG-O 3.4Å
47	G	94.9	Very high	96.2	Very high	52 Å²	52	48.6 Å²	48.6	54%	0.536	25%	0.25	S	S	.	.	H	α-helix	trans	-59.5	-43.9	178.9	0	0	0	0	0	113.9	W45 C49 K50 K51	W45-G47 PolarHBondContact O-N 3.1Å; G47-C49 VanDerWaalsContact C-N 3.3Å; G47-C49 PolarHBondContact O-N 3.38Å; G47-K50 PolarHBondContact O-N 2.55Å; G47-K51 PolarHBondContact O-N 3.43Å
48	H	92.4	Very high	96.2	Very high	134 Å²	134	51.3 Å²	51.3	62%	0.62	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-36.2	176.4	-63.1	143.8	0	0	0	112.4	C46 K51 L52	C46-H48 PolarHBondContact O-N 2.76Å; H48-K51 PolarHBondContact O-N 3.23Å; H48-L52 WeakPolarHBondContact O-CB 3.1Å; H48-L52 PolarHBondContact O-N 3.35Å
49	C	95.7	Very high	96.1	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-41.7	175.9	-65.6	0	0	0	0	111.9	Y42 C46 G47 L52 A53 P93	Y42-C49 VanDerWaalsContact CB-SG 3.57Å; C46-C49 HydrophobicContact CB-CB 3.86Å; C46-C49 VanDerWaalsContact CB-SG 3.56Å; C46-C49 WeakPolarHBondContact O-CB 3.49Å; C46-C49 PolarHBondContact O-N 2.9Å; C46-C49 PolarHBondContact SG-SG 3.24Å; G47-C49 VanDerWaalsContact C-N 3.3Å; G47-C49 PolarHBondContact O-N 3.38Å; C49-L52 PolarHBondContact O-N 3.12Å; C49-A53 WeakPolarHBondContact O-CB 3.24Å; C49-A53 PolarHBondContact O-N 3.3Å; C49-P93 VanDerWaalsContact SG-N 3.41Å
50	K	95	Very high	96.1	Very high	130 Å²	130	51.5 Å²	51.5	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-62.6	-41.4	175.4	-67.9	177	-174.6	179.3	0	111.5	P44 C46 G47 A53 P54	P44-K50 WeakPolarHBondContact O-CE 3.33Å; C46-K50 WeakPolarHBondContact O-CG 3.48Å; C46-K50 PolarHBondContact O-N 2.97Å; G47-K50 PolarHBondContact O-N 2.55Å; K50-A53 PolarHBondContact O-N 3.14Å; K50-P54 WeakPolarHBondContact O-CD 3.42Å
51	K	94.4	Very high	96	Very high	171 Å²	171	56.3 Å²	56.3	74%	0.743	29%	0.294	S	S	*	.	H	α-helix	trans	-64.9	-39.3	176.7	-169.1	179.2	-177.7	-178.5	0	112.5	G47 H48 P54	G47-K51 PolarHBondContact O-N 3.43Å; H48-K51 PolarHBondContact O-N 3.23Å; K51-P54 WeakPolarHBondContact O-CD 3.47Å; K51-P54 WeakPolarHBondContact O-CG 3.39Å
52	L	96.1	Very high	95.7	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-75.9	-29.3	179.3	-179.6	61.9	0	0	0	113.1	K40 H48 C49 E55 F56 P93 L95 R111 I116	K40-L52 HydrophobicContact CD-CD2 4Å; K40-L52 HydrophobicContact CD-CG 4.42Å; K40-L52 HydrophobicContact CG-CD2 4.47Å; H48-L52 WeakPolarHBondContact O-CB 3.1Å; H48-L52 PolarHBondContact O-N 3.35Å; C49-L52 PolarHBondContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 3.09Å; L52-F56 HydrophobicContact CG-CB 4.43Å; L52-F56 VanDerWaalsContact O-CB 3.31Å; L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 3.28Å; L52-P93 HydrophobicContact CD2-CB 3.99Å; L52-P93 HydrophobicContact CD2-CG 3.78Å; L52-L95 HydrophobicContact CD2-CD1 4.1Å; L52-L95 HydrophobicContact CD2-CD2 4.11Å; L52-L95 HydrophobicContact CD2-CG 4.4Å; L52-R111 HydrophobicContact CD1-CB 4.03Å; L52-R111 HydrophobicContact CD1-CG 4.4Å; L52-R111 WeakPolarHBondContact CD1-O 3.27Å; L52-I116 HydrophobicContact CD1-CD1 4.11Å
53	A	95.7	Very high	95.6	Very high	31 Å²	31	57.2 Å²	57.2	26%	0.256	30%	0.3	S	S	.	.	H	α-helix	trans	-51.9	-47.2	-175.7	0	0	0	0	0	115.7	C49 K50 F56 T57	C49-A53 WeakPolarHBondContact O-CB 3.24Å; C49-A53 PolarHBondContact O-N 3.3Å; K50-A53 PolarHBondContact O-N 3.14Å; A53-F56 PolarHBondContact O-N 3.45Å; A53-T57 PolarHBondContact O-N 2.95Å; A53-T57 PolarHBondContact O-OG1 3.35Å
54	P	95.9	Very high	95.3	Very high	71 Å²	71	59.1 Å²	59.1	46%	0.461	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-46.1	176.9	23.6	-33.4	0	0	0	112.1	K50 K51 F56 T57 S58	K50-P54 WeakPolarHBondContact O-CD 3.42Å; K51-P54 WeakPolarHBondContact O-CD 3.47Å; K51-P54 WeakPolarHBondContact O-CG 3.39Å; P54-F56 VanDerWaalsContact C-N 3.32Å; P54-F56 PolarHBondContact O-N 3.02Å; P54-T57 PolarHBondContact O-N 3Å; P54-S58 PolarHBondContact O-N 3.41Å; P54-S58 PolarHBondContact O-OG 3.5Å
55	E	96.4	Very high	95.1	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-60.1	-42.1	177.8	-63.9	-58.7	138.4	0	0	111.9	L52 T57 S58 A59 R111 N112 A113	L52-E55 PolarHBondContact O-N 3.09Å; E55-T57 PolarHBondContact O-N 2.79Å; E55-S58 PolarHBondContact O-N 2.96Å; E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 2.89Å; E55-R111 WeakPolarHBondContact CB-O 3.19Å; E55-N112 WeakPolarHBondContact OE2-CA 3.42Å; E55-A113 WeakPolarHBondContact O-CB 3Å; E55-A113 WeakPolarHBondContact OE2-CB 3.12Å; E55-A113 PolarHBondContact OE2-N 3.24Å
56	F	97.8	Very high	94.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.7	-159.4	-99.9	0	0	0	111.9	V19 L38 K40 L52 A53 P54 A60 L72 V73 L95 I116	V19-F56 HydrophobicContact CG1-CD1 3.95Å; V19-F56 HydrophobicContact CG1-CE1 3.77Å; V19-F56 HydrophobicContact CG2-CD1 3.92Å; V19-F56 HydrophobicContact CG2-CE1 4.39Å; L38-F56 HydrophobicContact CD2-CE2 3.78Å; L38-F56 HydrophobicContact CD2-CZ 4.44Å; L38-F56 HydrophobicContact CG-CE2 4.02Å; L38-F56 HydrophobicContact CG-CZ 4.28Å; K40-F56 HydrophobicContact CB-CD1 4.49Å; K40-F56 HydrophobicContact CB-CD2 4.48Å; K40-F56 HydrophobicContact CB-CE1 3.9Å; K40-F56 HydrophobicContact CB-CE2 3.92Å; K40-F56 HydrophobicContact CB-CZ 3.59Å; K40-F56 HydrophobicContact CD-CD1 4.35Å; K40-F56 HydrophobicContact CD-CD2 4.37Å; K40-F56 HydrophobicContact CD-CG 4.24Å; L52-F56 HydrophobicContact CG-CB 4.43Å; L52-F56 VanDerWaalsContact O-CB 3.31Å; L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 3.28Å; A53-F56 PolarHBondContact O-N 3.45Å; P54-F56 VanDerWaalsContact C-N 3.32Å; P54-F56 PolarHBondContact O-N 3.02Å; F56-A60 PolarHBondContact O-N 3.25Å; F56-A60 VanDerWaalsContact O-N 3.09Å; F56-L72 HydrophobicContact CD1-CB 4.28Å; F56-L72 HydrophobicContact CD1-CD1 4.23Å; F56-L72 HydrophobicContact CD2-CD1 4.27Å; F56-L72 HydrophobicContact CE1-CB 3.64Å; F56-L72 HydrophobicContact CE1-CD1 4.21Å; F56-L72 HydrophobicContact CE1-CG 4.43Å; F56-L72 HydrophobicContact CE2-CD1 4.21Å; F56-L72 HydrophobicContact CE2-CD2 4.41Å; F56-L72 HydrophobicContact CG-CD1 4.27Å; F56-L72 HydrophobicContact CZ-CB 3.85Å; F56-L72 HydrophobicContact CZ-CD1 4.18Å; F56-L72 HydrophobicContact CZ-CD2 4.2Å; F56-L72 HydrophobicContact CZ-CG 4.32Å; F56-L72 WeakPolarHBondContact O-CD1 3.48Å; F56-V73 WeakPolarHBondContact CE1-O 3.48Å; F56-V73 WeakPolarHBondContact CZ-O 3.19Å; F56-L95 HydrophobicContact CE2-CD2 4.07Å; F56-I116 HydrophobicContact CD2-CD1 4.17Å
57	T	97.4	Very high	94.2	Very high	58 Å²	58	58.4 Å²	58.4	36%	0.356	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-44	176.3	-54.5	0	0	0	0	111.3	A53 P54 E55 A59 A60 Q61	A53-T57 PolarHBondContact O-N 2.95Å; A53-T57 PolarHBondContact O-OG1 3.35Å; P54-T57 PolarHBondContact O-N 3Å; E55-T57 PolarHBondContact O-N 2.79Å; T57-A59 VanDerWaalsContact C-N 3.32Å; T57-A59 PolarHBondContact O-N 3.03Å; T57-A60 WeakPolarHBondContact O-CB 3.3Å; T57-A60 PolarHBondContact O-N 2.77Å; T57-Q61 PolarHBondContact O-N 2.94Å; T57-Q61 VanDerWaalsContact O-N 3.09Å
58	S	96.7	Very high	94	Very high	59 Å²	59	62.4 Å²	62.4	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-40.2	175.1	-66.2	0	0	0	0	111.9	P54 E55 A60 Q61 I62	P54-S58 PolarHBondContact O-N 3.41Å; P54-S58 PolarHBondContact O-OG 3.5Å; E55-S58 PolarHBondContact O-N 2.96Å; S58-A60 PolarHBondContact O-N 3.41Å; S58-Q61 WeakPolarHBondContact O-CB 3.47Å; S58-Q61 PolarHBondContact O-N 2.87Å; S58-I62 WeakPolarHBondContact O-CG1 3.26Å; S58-I62 PolarHBondContact O-N 3.42Å
59	A	96.5	Very high	93.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-44.2	173.4	0	0	0	0	0	111.9	E55 T57 Q61 I62 I63 L72 A113 I116	E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 2.89Å; T57-A59 VanDerWaalsContact C-N 3.32Å; T57-A59 PolarHBondContact O-N 3.03Å; A59-Q61 VanDerWaalsContact C-N 3.26Å; A59-Q61 PolarHBondContact O-N 3.35Å; A59-I62 PolarHBondContact O-N 3.3Å; A59-I63 WeakPolarHBondContact O-CB 3.47Å; A59-I63 WeakPolarHBondContact O-CD1 3.49Å; A59-I63 WeakPolarHBondContact O-CG1 3.46Å; A59-I63 PolarHBondContact O-N 2.65Å; A59-L72 HydrophobicContact CB-CD1 3.62Å; A59-A113 HydrophobicContact CB-CB 4.5Å; A59-A113 WeakPolarHBondContact CB-O 2.86Å; A59-I116 HydrophobicContact CB-CB 3.69Å; A59-I116 HydrophobicContact CB-CD1 4.41Å; A59-I116 HydrophobicContact CB-CG2 3.62Å
60	A	97.4	Very high	93.8	Very high	4 Å²	4	60 Å²	60	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-39.7	177.5	0	0	0	0	0	111.5	K18 V19 F56 T57 S58 I63 S64 L72	K18-A60 HydrophobicContact CB-CB 3.79Å; V19-A60 HydrophobicContact CG2-CB 3.71Å; F56-A60 PolarHBondContact O-N 3.25Å; F56-A60 VanDerWaalsContact O-N 3.09Å; T57-A60 WeakPolarHBondContact O-CB 3.3Å; T57-A60 PolarHBondContact O-N 2.77Å; S58-A60 PolarHBondContact O-N 3.41Å; A60-I63 PolarHBondContact O-N 2.76Å; A60-S64 WeakPolarHBondContact O-CB 3.43Å; A60-S64 PolarHBondContact O-N 2.7Å; A60-S64 PolarHBondContact O-OG 3.24Å; A60-L72 HydrophobicContact CB-CB 3.97Å; A60-L72 HydrophobicContact CB-CD1 3.9Å; A60-L72 HydrophobicContact CB-CG 4.09Å
61	Q	96.2	Very high	93.9	Very high	110 Å²	110	57.7 Å²	57.7	51%	0.514	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-48.9	176	-174.6	62.4	32.3	0	0	111.5	K18 T57 S58 A59 I63 S64 G65	K18-Q61 VanDerWaalsContact CG-OE1 3.28Å; T57-Q61 PolarHBondContact O-N 2.94Å; T57-Q61 VanDerWaalsContact O-N 3.09Å; S58-Q61 WeakPolarHBondContact O-CB 3.47Å; S58-Q61 PolarHBondContact O-N 2.87Å; A59-Q61 VanDerWaalsContact C-N 3.26Å; A59-Q61 PolarHBondContact O-N 3.35Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 3.4Å; Q61-S64 PolarHBondContact O-N 2.94Å; Q61-S64 PolarHBondContact O-OG 2.76Å; Q61-G65 PolarHBondContact O-N 3.42Å
62	I	93.5	Very high	94.1	Very high	46 Å²	46	49.6 Å²	49.6	24%	0.236	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-45.8	177.3	-65.1	162.2	0	0	0	110.7	S58 A59 G65 K66 A113 N114 A117	S58-I62 WeakPolarHBondContact O-CG1 3.26Å; S58-I62 PolarHBondContact O-N 3.42Å; A59-I62 PolarHBondContact O-N 3.3Å; I62-G65 PolarHBondContact O-N 2.96Å; I62-K66 HydrophobicContact CG2-CD 4.36Å; I62-A113 HydrophobicContact CD1-CB 4.13Å; I62-N114 WeakPolarHBondContact CD1-OD1 3.38Å; I62-A117 HydrophobicContact CB-CB 3.88Å; I62-A117 HydrophobicContact CD1-CB 4.42Å; I62-A117 HydrophobicContact CG2-CB 3.58Å
63	I	94.4	Very high	94.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-49.5	179.2	-71	164	0	0	0	110.8	A59 A60 Q61 G65 K66 T67 V70 L72 A117 M120 I121	A59-I63 WeakPolarHBondContact O-CB 3.47Å; A59-I63 WeakPolarHBondContact O-CD1 3.49Å; A59-I63 WeakPolarHBondContact O-CG1 3.46Å; A59-I63 PolarHBondContact O-N 2.65Å; A60-I63 PolarHBondContact O-N 2.76Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 PolarHBondContact O-N 3.4Å; I63-G65 PolarHBondContact O-N 2.86Å; I63-G65 VanDerWaalsContact O-N 3.13Å; I63-K66 PolarHBondContact O-N 3.07Å; I63-T67 HydrophobicContact CG2-CG2 4.23Å; I63-T67 PolarHBondContact O-N 3.49Å; I63-V70 HydrophobicContact CD1-CG1 4Å; I63-V70 HydrophobicContact CG1-CG1 4.45Å; I63-V70 HydrophobicContact CG2-CB 3.52Å; I63-V70 HydrophobicContact CG2-CG1 3.64Å; I63-V70 VanDerWaalsContact CG2-O 3.28Å; I63-V70 WeakPolarHBondContact CG2-O 3.14Å; I63-L72 HydrophobicContact CD1-CD1 3.95Å; I63-L72 HydrophobicContact CD1-CD2 3.81Å; I63-L72 HydrophobicContact CD1-CG 3.73Å; I63-A117 HydrophobicContact CD1-CB 4.43Å; I63-A117 HydrophobicContact CG1-CB 3.86Å; I63-M120 HydrophobicContact CD1-CB 4.17Å; I63-I121 HydrophobicContact CG1-CD1 4.15Å; I63-I121 HydrophobicContact CG1-CG1 4.07Å
64	S	92.5	Very high	94.3	Very high	39 Å²	39	49.8 Å²	49.8	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-22.4	-178	72.5	0	0	0	0	113.8	A60 Q61 K66	A60-S64 WeakPolarHBondContact O-CB 3.43Å; A60-S64 PolarHBondContact O-N 2.7Å; A60-S64 PolarHBondContact O-OG 3.24Å; Q61-S64 PolarHBondContact O-N 2.94Å; Q61-S64 PolarHBondContact O-OG 2.76Å; S64-K66 VanDerWaalsContact C-N 3.35Å
65	G	89.7	Confident	94.5	Very high	69 Å²	69	46.4 Å²	46.4	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.1	172.9	0	0	0	0	0	114.4	Q61 I62 I63	Q61-G65 PolarHBondContact O-N 3.42Å; I62-G65 PolarHBondContact O-N 2.96Å; I63-G65 PolarHBondContact O-N 2.86Å; I63-G65 VanDerWaalsContact O-N 3.13Å
66	K	85.2	Confident	94.5	Very high	131 Å²	131	43.7 Å²	43.7	57%	0.57	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-34.2	-174.4	-70.3	-178	174.7	-174.7	0	113.7	I62 I63 S64 I121	I62-K66 HydrophobicContact CG2-CD 4.36Å; I63-K66 PolarHBondContact O-N 3.07Å; S64-K66 VanDerWaalsContact C-N 3.35Å; K66-I121 HydrophobicContact CB-CD1 3.89Å; K66-I121 HydrophobicContact CD-CD1 3.47Å; K66-I121 VanDerWaalsContact CD-CD1 3.47Å; K66-I121 HydrophobicContact CG-CD1 4.28Å
67	T	85.2	Confident	94.5	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.184	25%	0.246	C	C	.	.			trans	-156	152.5	-179.9	179.6	0	0	0	0	111.6	I63 D69 V70 I121	I63-T67 HydrophobicContact CG2-CG2 4.23Å; I63-T67 PolarHBondContact O-N 3.49Å; T67-D69 WeakPolarHBondContact OG1-CB 3.41Å; T67-D69 PolarHBondContact OG1-N 2.79Å; T67-D69 PolarHBondContact OG1-OD2 3.26Å; T67-V70 HydrophobicContact CG2-CB 3.95Å; T67-V70 HydrophobicContact CG2-CG2 3.83Å; T67-I121 HydrophobicContact CG2-CG1 4.1Å
68	N	89.6	Confident	94.4	Very high	137 Å²	137	43.8 Å²	43.8	73%	0.733	25%	0.246	S	C	*	.	S	Bend	trans	-96	-7.9	170.4	-69.3	-40.6	0	0	0	112.9	V70	N68-V70 VanDerWaalsContact C-N 3.3Å
69	D	90.5	Very high	94.4	Very high	82 Å²	82	45.5 Å²	45.5	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-81.3	-13.7	-175.7	-59.5	-35.3	0	0	0	112.9	P35 V36 T67	P35-D69 HydrophobicContact CB-CB 4.1Å; P35-D69 WeakPolarHBondContact CB-O 3.28Å; P35-D69 WeakPolarHBondContact CD-O 3.42Å; P35-D69 HydrophobicContact CG-CB 4.04Å; V36-D69 PolarHBondContact N-O 2.88Å; T67-D69 WeakPolarHBondContact OG1-CB 3.41Å; T67-D69 PolarHBondContact OG1-N 2.79Å; T67-D69 PolarHBondContact OG1-OD2 3.26Å
70	V	94.9	Very high	94.4	Very high	5 Å²	5	47 Å²	47	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.7	179.6	-177.7	0	0	0	0	110.2	V36 I63 T67 N68 M120 A124	V36-V70 HydrophobicContact CB-CG2 4.42Å; V36-V70 VanDerWaalsContact O-CA 3.25Å; V36-V70 WeakPolarHBondContact O-CA 3.3Å; I63-V70 HydrophobicContact CD1-CG1 4Å; I63-V70 HydrophobicContact CG1-CG1 4.45Å; I63-V70 HydrophobicContact CG2-CB 3.52Å; I63-V70 HydrophobicContact CG2-CG1 3.64Å; I63-V70 VanDerWaalsContact CG2-O 3.28Å; I63-V70 WeakPolarHBondContact CG2-O 3.14Å; T67-V70 HydrophobicContact CG2-CB 3.95Å; T67-V70 HydrophobicContact CG2-CG2 3.83Å; N68-V70 VanDerWaalsContact C-N 3.3Å; V70-M120 HydrophobicContact CG1-CB 3.68Å; V70-M120 HydrophobicContact CG1-CE 4.49Å; V70-A124 HydrophobicContact CG2-CB 3.12Å
71	K	97	Very high	94.3	Very high	81 Å²	81	53.2 Å²	53.2	35%	0.352	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.6	169.8	-57.1	-167.8	-168.6	168.1	0	112	L20 I34 V36 A37 L38	L20-K71 HydrophobicContact CD1-CB 4.37Å; L20-K71 HydrophobicContact CD1-CD 3.58Å; L20-K71 HydrophobicContact CG-CD 4.49Å; I34-K71 HydrophobicContact CD1-CB 4.17Å; I34-K71 HydrophobicContact CD1-CD 3.94Å; I34-K71 HydrophobicContact CD1-CG 4.44Å; I34-K71 HydrophobicContact CG1-CD 3.89Å; I34-K71 HydrophobicContact CG1-CG 4.35Å; I34-K71 HydrophobicContact CG2-CB 3.93Å; I34-K71 HydrophobicContact CG2-CD 4.44Å; I34-K71 HydrophobicContact CG2-CG 3.98Å; V36-K71 PolarHBondContact O-N 3.32Å; V36-K71 VanDerWaalsContact O-N 3.08Å; A37-K71 VanDerWaalsContact CA-O 3.28Å; A37-K71 WeakPolarHBondContact CA-O 3.46Å; L38-K71 PolarHBondContact N-O 3.46Å; L38-K71 VanDerWaalsContact N-O 3.08Å
72	L	98.2	Very high	94.2	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.4	170.2	-62.9	-164.9	0	0	0	109.4	V19 L20 L38 F56 A59 A60 I63 I116 M120	V19-L72 WeakPolarHBondContact CA-O 3.38Å; L20-L72 PolarHBondContact N-O 3.44Å; L38-L72 HydrophobicContact CB-CD2 3.56Å; L38-L72 HydrophobicContact CD2-CD2 3.88Å; L38-L72 HydrophobicContact CG-CD2 4.14Å; F56-L72 HydrophobicContact CD1-CB 4.28Å; F56-L72 HydrophobicContact CD1-CD1 4.23Å; F56-L72 HydrophobicContact CD2-CD1 4.27Å; F56-L72 HydrophobicContact CE1-CB 3.64Å; F56-L72 HydrophobicContact CE1-CD1 4.21Å; F56-L72 HydrophobicContact CE1-CG 4.43Å; F56-L72 HydrophobicContact CE2-CD1 4.21Å; F56-L72 HydrophobicContact CE2-CD2 4.41Å; F56-L72 HydrophobicContact CG-CD1 4.27Å; F56-L72 HydrophobicContact CZ-CB 3.85Å; F56-L72 HydrophobicContact CZ-CD1 4.18Å; F56-L72 HydrophobicContact CZ-CD2 4.2Å; F56-L72 HydrophobicContact CZ-CG 4.32Å; F56-L72 WeakPolarHBondContact O-CD1 3.48Å; A59-L72 HydrophobicContact CB-CD1 3.62Å; A60-L72 HydrophobicContact CB-CB 3.97Å; A60-L72 HydrophobicContact CB-CD1 3.9Å; A60-L72 HydrophobicContact CB-CG 4.09Å; I63-L72 HydrophobicContact CD1-CD1 3.95Å; I63-L72 HydrophobicContact CD1-CD2 3.81Å; I63-L72 HydrophobicContact CD1-CG 3.73Å; L72-I116 HydrophobicContact CD1-CG2 4.03Å; L72-I116 HydrophobicContact CD2-CG2 4.32Å; L72-M120 HydrophobicContact CD2-CG 4.34Å
73	V	98.3	Very high	94.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.8	-174.7	177.9	0	0	0	0	108.8	L20 L22 L31 I34 A37 L38 V39 K40 F56	L20-V73 HydrophobicContact CB-CG2 4.26Å; L20-V73 CarbonylContact O-C 3.5Å; L20-V73 VanDerWaalsContact O-CA 3.25Å; L20-V73 WeakPolarHBondContact O-CA 3.4Å; L22-V73 HydrophobicContact CB-CG1 4.14Å; L22-V73 HydrophobicContact CD1-CG1 3.62Å; L22-V73 HydrophobicContact CD1-CG2 4.32Å; L22-V73 HydrophobicContact CG-CG1 3.67Å; L31-V73 HydrophobicContact CD2-CG2 4.21Å; I34-V73 HydrophobicContact CD1-CG2 4.42Å; A37-V73 HydrophobicContact CB-CG2 4.25Å; L38-V73 PolarHBondContact O-N 2.87Å; V39-V73 CarbonylContact C-O 3.57Å; V39-V73 WeakPolarHBondContact CA-O 3.5Å; V39-V73 HydrophobicContact CB-CB 4.46Å; V39-V73 HydrophobicContact CG1-CG1 4.24Å; V39-V73 HydrophobicContact CG2-CB 4Å; V39-V73 HydrophobicContact CG2-CG1 4.23Å; K40-V73 PolarHBondContact N-O 3.45Å; F56-V73 WeakPolarHBondContact CE1-O 3.48Å; F56-V73 WeakPolarHBondContact CZ-O 3.19Å
74	K	98.1	Very high	94.5	Very high	43 Å²	43	48.9 Å²	48.9	19%	0.187	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.9	170	68	178.3	177.8	142.7	0	110.4	V19 L20 E21 L22 K40 Y42	V19-K74 HydrophobicContact CG1-CB 3.94Å; V19-K74 HydrophobicContact CG1-CD 4.05Å; V19-K74 HydrophobicContact CG1-CG 3.83Å; L20-K74 PolarHBondContact O-N 3.16Å; E21-K74 HydrophobicContact CB-CG 4.23Å; E21-K74 VanDerWaalsContact CD-NZ 3.35Å; E21-K74 HydrophobicContact CG-CG 4.28Å; E21-K74 IonicContact OE1-NZ 3.91Å; E21-K74 WeakPolarHBondContact OE2-CE 3.28Å; E21-K74 IonicContact OE2-NZ 3.83Å; E21-K74 PolarHBondContact OE2-NZ 3.35Å; L22-K74 PolarHBondContact N-O 2.89Å; K40-K74 WeakPolarHBondContact O-CA 3.35Å; Y42-K74 HydrophobicContact CD1-CB 4.13Å; Y42-K74 HydrophobicContact CE1-CB 3.77Å; Y42-K74 HydrophobicContact CE1-CD 4.08Å; Y42-K74 HydrophobicContact CE1-CG 4.05Å
75	V	98.3	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.7	175.5	176.1	0	0	0	0	108.4	F27 V39 K40 F41 Y42 C77 Q80 I83	F27-V75 HydrophobicContact CD2-CG2 3.78Å; F27-V75 HydrophobicContact CE2-CG2 3.58Å; V39-V75 HydrophobicContact CG1-CG2 3.91Å; K40-V75 PolarHBondContact O-N 2.98Å; F41-V75 HydrophobicContact CD1-CB 3.96Å; F41-V75 HydrophobicContact CD1-CG1 4.19Å; F41-V75 HydrophobicContact CE1-CB 4.23Å; F41-V75 HydrophobicContact CE1-CG1 4.4Å; F41-V75 HydrophobicContact CE1-CG2 4.32Å; Y42-V75 WeakPolarHBondContact CD1-O 3.42Å; Y42-V75 PolarHBondContact N-O 3.16Å; V75-C77 PolarHBondContact O-N 3.08Å; V75-Q80 HydrophobicContact CG1-CB 3.72Å; V75-Q80 HydrophobicContact CG1-CG 4.13Å; V75-I83 HydrophobicContact CG1-CB 4.4Å; V75-I83 HydrophobicContact CG1-CD1 4.16Å; V75-I83 HydrophobicContact CG1-CG2 4.42Å
76	D	97.9	Very high	95	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105.3	174	-174.6	-18.4	0	0	0	110	Y42 P44 T78 T79 Q80	Y42-D76 HydrophobicContact CE1-CB 4.14Å; Y42-D76 HydrophobicContact CE2-CB 4.45Å; P44-D76 VanDerWaalsContact CD-OD1 3.29Å; P44-D76 WeakPolarHBondContact CD-OD1 3.34Å; P44-D76 WeakPolarHBondContact CD-OD2 3.25Å; P44-D76 WeakPolarHBondContact CG-OD2 3.4Å; D76-T78 VanDerWaalsContact CG-OG1 3.29Å; D76-T78 PolarHBondContact O-N 3.46Å; D76-T78 WeakPolarHBondContact OD1-CA 3.44Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.19Å; D76-T78 PolarHBondContact OD1-OG1 2.66Å; D76-T78 PolarHBondContact OD2-OG1 3.41Å; D76-T79 PolarHBondContact O-N 3.21Å; D76-T79 PolarHBondContact O-OG1 3.06Å; D76-Q80 VanDerWaalsContact O-CB 3.27Å; D76-Q80 WeakPolarHBondContact O-CB 3.09Å; D76-Q80 WeakPolarHBondContact O-CG 3.21Å; D76-Q80 PolarHBondContact O-N 2.79Å
77	C	97.6	Very high	95.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.3	-179	-64.3	0	0	0	0	114.4	Y42 V75 T79 E81 C84 Y92	Y42-C77 PolarHBondContact O-N 3.31Å; V75-C77 PolarHBondContact O-N 3.08Å; C77-T79 VanDerWaalsContact C-N 3.32Å; C77-E81 VanDerWaalsContact O-CG 3.27Å; C77-E81 WeakPolarHBondContact O-CG 3.31Å; C77-E81 PolarHBondContact O-N 2.77Å; C77-C84 WeakPolarHBondContact CA-SG 3.47Å; C77-C84 HydrophobicContact CB-CB 3.71Å; C77-C84 WeakPolarHBondContact CB-SG 3.46Å; C77-C84 WeakPolarHBondContact SG-CB 3.18Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 2.81Å; C77-Y92 HydrophobicContact CB-CD1 4.48Å; C77-Y92 HydrophobicContact CB-CE1 3.44Å; C77-Y92 VanDerWaalsContact CB-CE1 3.44Å; C77-Y92 VanDerWaalsContact CB-OH 3.25Å; C77-Y92 WeakPolarHBondContact CB-OH 3.41Å; C77-Y92 WeakPolarHBondContact SG-CE1 3.46Å
78	T	95.3	Very high	95.9	Very high	57 Å²	57	49.6 Å²	49.6	35%	0.35	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.2	173.6	69	0	0	0	0	112.8	A43 D76	A43-T78 HydrophobicContact CB-CG2 3.75Å; D76-T78 VanDerWaalsContact CG-OG1 3.29Å; D76-T78 PolarHBondContact O-N 3.46Å; D76-T78 WeakPolarHBondContact OD1-CA 3.44Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.19Å; D76-T78 PolarHBondContact OD1-OG1 2.66Å; D76-T78 PolarHBondContact OD2-OG1 3.41Å
79	T	96.3	Very high	96.3	Very high	95 Å²	95	44 Å²	44	58%	0.583	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-19.5	175.3	62.4	0	0	0	0	112.5	D76 C77	D76-T79 PolarHBondContact O-N 3.21Å; D76-T79 PolarHBondContact O-OG1 3.06Å; C77-T79 VanDerWaalsContact C-N 3.32Å
80	Q	96.6	Very high	96.4	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.15	27%	0.273	C	S	.	.			trans	-117.4	42	-177.8	-51.5	-57.2	-43.6	0	0	112.1	V75 D76 S82 I83 C84	V75-Q80 HydrophobicContact CG1-CB 3.72Å; V75-Q80 HydrophobicContact CG1-CG 4.13Å; D76-Q80 VanDerWaalsContact O-CB 3.27Å; D76-Q80 WeakPolarHBondContact O-CB 3.09Å; D76-Q80 WeakPolarHBondContact O-CG 3.21Å; D76-Q80 PolarHBondContact O-N 2.79Å; Q80-S82 PolarHBondContact O-N 2.76Å; Q80-S82 VanDerWaalsContact O-N 3.08Å; Q80-I83 HydrophobicContact CB-CD1 3.89Å; Q80-I83 HydrophobicContact CB-CG1 4.21Å; Q80-I83 HydrophobicContact CG-CD1 4.34Å; Q80-I83 PolarHBondContact O-N 3.28Å; Q80-C84 PolarHBondContact O-N 2.69Å
81	E	94.8	Very high	96.3	Very high	134 Å²	134	47.3 Å²	47.3	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-50	-38.4	-175.9	-67.7	-180	-169.9	0	0	113.5	C77 I83 C84 S85	C77-E81 VanDerWaalsContact O-CG 3.27Å; C77-E81 WeakPolarHBondContact O-CG 3.31Å; C77-E81 PolarHBondContact O-N 2.77Å; E81-I83 PolarHBondContact O-N 3.49Å; E81-C84 PolarHBondContact O-N 2.95Å; E81-S85 WeakPolarHBondContact O-CB 3.46Å; E81-S85 PolarHBondContact O-N 2.71Å; E81-S85 PolarHBondContact O-OG 2.96Å
82	S	95.4	Very high	96.3	Very high	60 Å²	60	46.8 Å²	46.8	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-40.3	179.5	59.3	0	0	0	0	113.6	Q80 E86	Q80-S82 PolarHBondContact O-N 2.76Å; Q80-S82 VanDerWaalsContact O-N 3.08Å; S82-E86 WeakPolarHBondContact O-CB 3.45Å; S82-E86 PolarHBondContact O-N 2.63Å
83	I	96.3	Very high	96.2	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-43.8	177.5	-51.8	179.5	0	0	0	109.2	F27 F41 V75 Q80 E81 S85 E86 F87	F27-I83 HydrophobicContact CB-CD1 3.93Å; F27-I83 HydrophobicContact CD1-CG2 4.01Å; F27-I83 HydrophobicContact CD2-CD1 4.1Å; F27-I83 HydrophobicContact CD2-CG2 3.97Å; F27-I83 HydrophobicContact CE1-CG2 3.93Å; F27-I83 HydrophobicContact CE2-CG2 3.89Å; F27-I83 HydrophobicContact CG-CD1 4.04Å; F27-I83 HydrophobicContact CG-CG2 4.03Å; F27-I83 HydrophobicContact CZ-CG2 3.85Å; F41-I83 HydrophobicContact CE1-CG2 3.95Å; V75-I83 HydrophobicContact CG1-CB 4.4Å; V75-I83 HydrophobicContact CG1-CD1 4.16Å; V75-I83 HydrophobicContact CG1-CG2 4.42Å; Q80-I83 HydrophobicContact CB-CD1 3.89Å; Q80-I83 HydrophobicContact CB-CG1 4.21Å; Q80-I83 HydrophobicContact CG-CD1 4.34Å; Q80-I83 PolarHBondContact O-N 3.28Å; E81-I83 PolarHBondContact O-N 3.49Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 2.84Å; I83-E86 WeakPolarHBondContact O-CB 3.48Å; I83-E86 PolarHBondContact O-N 2.96Å; I83-F87 HydrophobicContact CG2-CD2 4.01Å; I83-F87 HydrophobicContact CG2-CE2 3.93Å; I83-F87 VanDerWaalsContact O-CD2 3.23Å; I83-F87 WeakPolarHBondContact O-CD2 3.45Å; I83-F87 PolarHBondContact O-N 2.65Å
84	C	96.4	Very high	96.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-34.8	-176.8	-57	0	0	0	0	112	C77 Q80 E81 G88 V89	C77-C84 WeakPolarHBondContact CA-SG 3.47Å; C77-C84 HydrophobicContact CB-CB 3.71Å; C77-C84 WeakPolarHBondContact CB-SG 3.46Å; C77-C84 WeakPolarHBondContact SG-CB 3.18Å; C77-C84 CovalentContact SG-SG 2.02Å; C77-C84 PolarHBondContact SG-SG 2.81Å; Q80-C84 PolarHBondContact O-N 2.69Å; E81-C84 PolarHBondContact O-N 2.95Å; C84-G88 PolarHBondContact O-N 3Å; C84-V89 HydrophobicContact CB-CB 4.08Å; C84-V89 HydrophobicContact CB-CG2 4.28Å; C84-V89 WeakPolarHBondContact O-CB 3.5Å; C84-V89 WeakPolarHBondContact O-CG2 3.33Å; C84-V89 PolarHBondContact O-N 2.85Å
85	S	95.7	Very high	96.2	Very high	92 Å²	92	47.1 Å²	47.1	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-66	-42.3	171.8	-56.8	0	0	0	0	111.7	E81 I83 F87 G88	E81-S85 WeakPolarHBondContact O-CB 3.46Å; E81-S85 PolarHBondContact O-N 2.71Å; E81-S85 PolarHBondContact O-OG 2.96Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 2.84Å; S85-F87 VanDerWaalsContact C-N 3.27Å; S85-F87 PolarHBondContact O-N 2.86Å; S85-G88 PolarHBondContact O-N 2.88Å; S85-G88 VanDerWaalsContact O-N 3.11Å
86	E	96.7	Very high	96.2	Very high	111 Å²	111	47.8 Å²	47.8	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-54.6	-41.5	177.4	-175.7	-174.9	162.7	0	0	112.2	H28 S82 I83	H28-E86 IonicContact CE1-OE1 2.84Å; H28-E86 PolarHBondContact CE1-OE1 2.86Å; H28-E86 IonicContact CE1-OE2 2.78Å; H28-E86 IonicContact NE2-OE1 3.86Å; H28-E86 PolarHBondContact NE2-OE1 2.87Å; H28-E86 VanDerWaalsContact NE2-OE1 3.16Å; H28-E86 IonicContact NE2-OE2 2.73Å; H28-E86 PolarHBondContact NE2-OE2 2.64Å; H28-E86 VanDerWaalsContact NE2-OE2 3.16Å; S82-E86 WeakPolarHBondContact O-CB 3.45Å; S82-E86 PolarHBondContact O-N 2.63Å; I83-E86 WeakPolarHBondContact O-CB 3.48Å; I83-E86 PolarHBondContact O-N 2.96Å
87	F	96	Very high	96	Very high	25 Å²	25	47 Å²	47	11%	0.11	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	13.3	-179.4	-62.4	-70.7	0	0	0	114.5	F27 F41 I83 S85 V89 K96 F98 L103	F27-F87 HydrophobicContact CD1-CE2 4.25Å; F27-F87 HydrophobicContact CE1-CD2 4.3Å; F27-F87 AromaticContact CE1-CE2 3.3Å; F27-F87 HydrophobicContact CE1-CE2 3.3Å; F27-F87 AromaticContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CE1-CZ 3.7Å; F27-F87 HydrophobicContact CZ-CD2 4.33Å; F27-F87 AromaticContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CE2 3.73Å; F27-F87 HydrophobicContact CZ-CZ 4.34Å; F41-F87 HydrophobicContact CE1-CD2 4.16Å; F41-F87 HydrophobicContact CZ-CB 4.2Å; F41-F87 AromaticContact CZ-CD2 3.78Å; F41-F87 HydrophobicContact CZ-CD2 3.78Å; F41-F87 HydrophobicContact CZ-CG 4.15Å; I83-F87 HydrophobicContact CG2-CD2 4.01Å; I83-F87 HydrophobicContact CG2-CE2 3.93Å; I83-F87 VanDerWaalsContact O-CD2 3.23Å; I83-F87 WeakPolarHBondContact O-CD2 3.45Å; I83-F87 PolarHBondContact O-N 2.65Å; S85-F87 VanDerWaalsContact C-N 3.27Å; S85-F87 PolarHBondContact O-N 2.86Å; F87-V89 PolarHBondContact O-N 2.64Å; F87-K96 HydrophobicContact CB-CD 4.07Å; F87-K96 WeakPolarHBondContact O-CE 3.33Å; F87-K96 PolarHBondContact O-NZ 2.81Å; F87-F98 HydrophobicContact CD1-CE1 4.08Å; F87-F98 AromaticContact CD1-CZ 3.78Å; F87-F98 HydrophobicContact CD1-CZ 3.78Å; F87-F98 HydrophobicContact CD2-CZ 4.2Å; F87-F98 AromaticContact CE1-CE1 3.43Å; F87-F98 HydrophobicContact CE1-CE1 3.43Å; F87-F98 VanDerWaalsContact CE1-CE1 3.43Å; F87-F98 AromaticContact CE1-CZ 3.58Å; F87-F98 HydrophobicContact CE1-CZ 3.58Å; F87-F98 HydrophobicContact CE2-CE1 4.29Å; F87-F98 HydrophobicContact CE2-CZ 4.06Å; F87-F98 HydrophobicContact CG-CZ 4.1Å; F87-F98 AromaticContact CZ-CE1 3.57Å; F87-F98 HydrophobicContact CZ-CE1 3.57Å; F87-F98 AromaticContact CZ-CZ 3.75Å; F87-F98 HydrophobicContact CZ-CZ 3.75Å; F87-L103 HydrophobicContact CD1-CD2 4.31Å; F87-L103 HydrophobicContact CE1-CB 4.48Å
88	G	94.9	Very high	95.9	Very high	56 Å²	56	46.9 Å²	46.9	58%	0.577	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	35.4	174.3	0	0	0	0	0	114.3	C84 S85 S90	C84-G88 PolarHBondContact O-N 3Å; S85-G88 PolarHBondContact O-N 2.88Å; S85-G88 VanDerWaalsContact O-N 3.11Å; G88-S90 PolarHBondContact O-N 2.88Å
89	V	96.1	Very high	95.7	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	28%	0.284	C	S	.	.			trans	-75	109.7	-179.9	178.6	0	0	0	0	110.3	F41 C84 F87 G91 Y92 T94	F41-V89 HydrophobicContact CB-CG1 4.07Å; F41-V89 HydrophobicContact CB-CG2 3.85Å; F41-V89 HydrophobicContact CD1-CG2 4.06Å; F41-V89 HydrophobicContact CD2-CG2 3.92Å; F41-V89 HydrophobicContact CE2-CG2 4.49Å; F41-V89 HydrophobicContact CG-CG2 3.67Å; C84-V89 HydrophobicContact CB-CB 4.08Å; C84-V89 HydrophobicContact CB-CG2 4.28Å; C84-V89 WeakPolarHBondContact O-CB 3.5Å; C84-V89 WeakPolarHBondContact O-CG2 3.33Å; C84-V89 PolarHBondContact O-N 2.85Å; F87-V89 PolarHBondContact O-N 2.64Å; V89-G91 WeakPolarHBondContact CG1-O 3.34Å; V89-Y92 HydrophobicContact CG1-CD1 3.98Å; V89-Y92 HydrophobicContact CG1-CE1 3.59Å; V89-T94 HydrophobicContact CG2-CG2 4.2Å
90	S	93.1	Very high	95.5	Very high	128 Å²	128	48.1 Å²	48.1	90%	0.895	28%	0.28	S	S	*	.			trans	-101.9	-6.5	179.8	58.8	0	0	0	0	114.3	G88	G88-S90 PolarHBondContact O-N 2.88Å
91	G	94.2	Very high	95.3	Very high	29 Å²	29	47.1 Å²	47.1	30%	0.299	28%	0.279	S	S	.	.	S	Bend	trans	-162.5	169.4	-178.5	0	0	0	0	0	113.1	V89 T94	V89-G91 WeakPolarHBondContact CG1-O 3.34Å; G91-T94 PolarHBondContact O-OG1 3.09Å
92	Y	96.4	Very high	95.2	Very high	71 Å²	71	46.5 Å²	46.5	28%	0.278	28%	0.28	S	S	.	.	S	Bend	trans	-130	140.2	-173.1	-51.4	-61.1	0	0	0	113.5	A43 W45 C46 C77 V89	A43-Y92 HydrophobicContact CB-CD2 3.69Å; A43-Y92 HydrophobicContact CB-CE2 3.94Å; A43-Y92 HydrophobicContact CB-CG 4.12Å; W45-Y92 HydrophobicContact CH2-CD2 4.16Å; W45-Y92 HydrophobicContact CH2-CE2 4.43Å; W45-Y92 HydrophobicContact CZ2-CD2 4.36Å; W45-Y92 HydrophobicContact CZ2-CE2 4.3Å; C46-Y92 PolarHBondContact SG-O 2.91Å; C46-Y92 VanDerWaalsContact SG-O 3.4Å; C77-Y92 HydrophobicContact CB-CD1 4.48Å; C77-Y92 HydrophobicContact CB-CE1 3.44Å; C77-Y92 VanDerWaalsContact CB-CE1 3.44Å; C77-Y92 VanDerWaalsContact CB-OH 3.25Å; C77-Y92 WeakPolarHBondContact CB-OH 3.41Å; C77-Y92 WeakPolarHBondContact SG-CE1 3.46Å; V89-Y92 HydrophobicContact CG1-CD1 3.98Å; V89-Y92 HydrophobicContact CG1-CE1 3.59Å
93	P	96.8	Very high	95.2	Very high	15 Å²	15	47.8 Å²	47.8	10%	0.097	28%	0.281	C	S	.	.	S	Bend	cis	-74.9	143.2	-8.8	30.5	-32.6	0	0	0	111.3	K40 F41 C49 L52	K40-P93 HydrophobicContact CG-CB 4.37Å; F41-P93 WeakPolarHBondContact O-CA 3.48Å; C49-P93 VanDerWaalsContact SG-N 3.41Å; L52-P93 HydrophobicContact CD2-CB 3.99Å; L52-P93 HydrophobicContact CD2-CG 3.78Å
94	T	97.6	Very high	94.9	Very high	25 Å²	25	50.5 Å²	50.5	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133	165	-68.9	0	0	0	0	108.5	F41 V89 G91 K96	F41-T94 PolarHBondContact N-O 2.88Å; F41-T94 PolarHBondContact O-N 3.28Å; V89-T94 HydrophobicContact CG2-CG2 4.2Å; G91-T94 PolarHBondContact O-OG1 3.09Å; T94-K96 HydrophobicContact CG2-CD 4.41Å; T94-K96 HydrophobicContact CG2-CG 4.16Å
95	L	98	Very high	94.5	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.8	-177.5	-64.3	-176.1	0	0	0	109.2	L38 V39 K40 L52 F56 Y107	L38-L95 HydrophobicContact CD1-CB 4.11Å; V39-L95 WeakPolarHBondContact O-CA 3.39Å; K40-L95 HydrophobicContact CB-CD2 3.53Å; K40-L95 HydrophobicContact CD-CD2 4.48Å; K40-L95 HydrophobicContact CG-CD2 3.63Å; L52-L95 HydrophobicContact CD2-CD1 4.1Å; L52-L95 HydrophobicContact CD2-CD2 4.11Å; L52-L95 HydrophobicContact CD2-CG 4.4Å; F56-L95 HydrophobicContact CE2-CD2 4.07Å; L95-Y107 HydrophobicContact CB-CD1 4.1Å; L95-Y107 HydrophobicContact CB-CG 4.19Å; L95-Y107 HydrophobicContact CD1-CD1 3.49Å; L95-Y107 VanDerWaalsContact CD1-CD1 3.49Å; L95-Y107 HydrophobicContact CD1-CE1 3.99Å; L95-Y107 HydrophobicContact CD1-CG 4.26Å; L95-Y107 HydrophobicContact CG-CD1 4.45Å; L95-Y107 PolarHBondContact O-N 3.01Å
96	K	97.2	Very high	94.4	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.065	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144	178	-63.7	179.2	-179.3	-93.7	0	111.3	V39 F41 F87 T94 F98 L103 G105 E106	V39-K96 PolarHBondContact N-O 3.46Å; V39-K96 PolarHBondContact O-N 3.18Å; F41-K96 HydrophobicContact CE2-CB 4.1Å; F41-K96 HydrophobicContact CE2-CD 4.11Å; F41-K96 HydrophobicContact CE2-CG 4.26Å; F87-K96 HydrophobicContact CB-CD 4.07Å; F87-K96 WeakPolarHBondContact O-CE 3.33Å; F87-K96 PolarHBondContact O-NZ 2.81Å; T94-K96 HydrophobicContact CG2-CD 4.41Å; T94-K96 HydrophobicContact CG2-CG 4.16Å; K96-F98 HydrophobicContact CB-CE2 3.99Å; K96-L103 HydrophobicContact CB-CD1 3.8Å; K96-L103 HydrophobicContact CD-CD1 3.97Å; K96-L103 HydrophobicContact CG-CD1 4.29Å; K96-G105 WeakPolarHBondContact CA-O 3.38Å; K96-E106 HydrophobicContact CG-CG 4.45Å; K96-E106 IonicContact NZ-OE1 2.64Å; K96-E106 PolarHBondContact NZ-OE1 3.47Å
97	I	95.1	Very high	94.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.9	-178.9	-58.6	158.8	0	0	0	108	V36 A37 L38 D104 G105 Y107 Y119 M120	V36-I97 HydrophobicContact CG1-CG2 4.2Å; A37-I97 CarbonylContact O-C 3.57Å; A37-I97 WeakPolarHBondContact O-CA 3.3Å; L38-I97 HydrophobicContact CD1-CG1 4.03Å; I97-D104 HydrophobicContact CB-CB 4.38Å; I97-D104 HydrophobicContact CG2-CB 4.06Å; I97-D104 PolarHBondContact O-N 3.05Å; I97-G105 PolarHBondContact N-O 3.03Å; I97-G105 PolarHBondContact O-N 2.96Å; I97-Y107 HydrophobicContact CD1-CD2 4.28Å; I97-Y107 HydrophobicContact CG1-CD2 4.45Å; I97-Y119 HydrophobicContact CD1-CE1 3.64Å; I97-M120 HydrophobicContact CG1-CE 4.39Å; I97-M120 HydrophobicContact CG1-SD 4.17Å; I97-M120 HydrophobicContact CG2-CE 4.15Å
98	F	95.4	Very high	93.5	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	175.3	-69.6	-103.7	0	0	0	109.7	F27 L31 V36 A37 V39 F41 F87 K96 D102 L103	F27-F98 HydrophobicContact CE1-CE1 4.37Å; F27-F98 HydrophobicContact CE1-CZ 4.38Å; F27-F98 HydrophobicContact CZ-CE1 4.38Å; F27-F98 HydrophobicContact CZ-CE2 4.48Å; F27-F98 AromaticContact CZ-CZ 4Å; F27-F98 HydrophobicContact CZ-CZ 4Å; L31-F98 HydrophobicContact CD1-CB 4.43Å; L31-F98 HydrophobicContact CD1-CD1 3.71Å; L31-F98 HydrophobicContact CD1-CD2 4.34Å; L31-F98 HydrophobicContact CD1-CE1 3.94Å; L31-F98 HydrophobicContact CD1-CG 3.91Å; L31-F98 HydrophobicContact CD1-CZ 4.37Å; V36-F98 CarbonylContact C-O 3.54Å; V36-F98 WeakPolarHBondContact CA-O 3.18Å; A37-F98 HydrophobicContact CB-CB 4.31Å; A37-F98 PolarHBondContact N-O 3.15Å; A37-F98 PolarHBondContact O-N 2.74Å; V39-F98 HydrophobicContact CB-CD2 4.07Å; V39-F98 HydrophobicContact CB-CE2 3.82Å; V39-F98 HydrophobicContact CG2-CD2 3.37Å; V39-F98 HydrophobicContact CG2-CE2 3.48Å; V39-F98 VanDerWaalsContact CG2-CE2 3.48Å; V39-F98 HydrophobicContact CG2-CG 4.31Å; V39-F98 HydrophobicContact CG2-CZ 4.48Å; F41-F98 HydrophobicContact CE2-CE2 4.33Å; F41-F98 HydrophobicContact CZ-CE2 4.32Å; F41-F98 HydrophobicContact CZ-CZ 4.33Å; F87-F98 HydrophobicContact CD1-CE1 4.08Å; F87-F98 AromaticContact CD1-CZ 3.78Å; F87-F98 HydrophobicContact CD1-CZ 3.78Å; F87-F98 HydrophobicContact CD2-CZ 4.2Å; F87-F98 AromaticContact CE1-CE1 3.43Å; F87-F98 HydrophobicContact CE1-CE1 3.43Å; F87-F98 VanDerWaalsContact CE1-CE1 3.43Å; F87-F98 AromaticContact CE1-CZ 3.58Å; F87-F98 HydrophobicContact CE1-CZ 3.58Å; F87-F98 HydrophobicContact CE2-CE1 4.29Å; F87-F98 HydrophobicContact CE2-CZ 4.06Å; F87-F98 HydrophobicContact CG-CZ 4.1Å; F87-F98 AromaticContact CZ-CE1 3.57Å; F87-F98 HydrophobicContact CZ-CE1 3.57Å; F87-F98 AromaticContact CZ-CZ 3.75Å; F87-F98 HydrophobicContact CZ-CZ 3.75Å; K96-F98 HydrophobicContact CB-CE2 3.99Å; F98-D102 CarbonylContact C-O 3.58Å; F98-D102 WeakPolarHBondContact CA-O 3.18Å; F98-L103 HydrophobicContact CE1-CB 4.27Å; F98-L103 HydrophobicContact CE1-CD1 4.37Å; F98-L103 HydrophobicContact CE2-CD1 4.22Å; F98-L103 HydrophobicContact CZ-CD1 4.07Å
99	R	91.2	Very high	93	Very high	82 Å²	82	50.8 Å²	50.8	31%	0.309	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.7	174.5	-175.7	-179.6	-60.3	-79.3	0.2	109.5	P35 V36 G101 D102 D104 R123	P35-R99 VanDerWaalsContact O-CA 3.27Å; P35-R99 WeakPolarHBondContact O-CA 3.35Å; P35-R99 WeakPolarHBondContact O-CG 3.35Å; V36-R99 VanDerWaalsContact CG2-NH1 3.32Å; R99-G101 PolarHBondContact O-N 2.93Å; R99-G101 VanDerWaalsContact O-N 3.08Å; R99-D102 PolarHBondContact N-O 3.44Å; R99-D102 PolarHBondContact O-N 3.24Å; R99-D104 HydrophobicContact CB-CB 4.31Å; R99-D104 IonicContact NE-OD1 3.89Å; R99-R123 PolarHBondContact NH1-O 2.98Å; R99-R123 PolarHBondContact NH2-O 3.5Å
100	N	91.2	Very high	92.5	Very high	95 Å²	95	52.5 Å²	52.5	51%	0.508	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	33.1	-178	-55.2	-45.2	0	0	0	113.6	I34 P35	I34-N100 PolarHBondContact O-N 3.09Å; P35-N100 WeakPolarHBondContact CA-OD1 3.47Å; P35-N100 PolarHBondContact O-N 3.08Å
101	G	93.2	Very high	92.5	Very high	12 Å²	12	53.8 Å²	53.8	12%	0.124	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-18.6	-177.1	0	0	0	0	0	116	L31 R99	L31-G101 PolarHBondContact O-N 3.43Å; L31-G101 VanDerWaalsContact O-N 3.16Å; R99-G101 PolarHBondContact O-N 2.93Å; R99-G101 VanDerWaalsContact O-N 3.08Å
102	D	93.1	Very high	92.3	Very high	120 Å²	120	56.2 Å²	56.2	64%	0.642	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.4	-178.1	-62.9	-42.1	0	0	0	111.7	F98 R99 D104	F98-D102 CarbonylContact C-O 3.58Å; F98-D102 WeakPolarHBondContact CA-O 3.18Å; R99-D102 PolarHBondContact N-O 3.44Å; R99-D102 PolarHBondContact O-N 3.24Å; D102-D104 PolarHBondContact O-N 3.41Å
103	L	94	Very high	92.1	Very high	87 Å²	87	53.4 Å²	53.4	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	117.6	174.5	178.8	68.1	0	0	0	110.2	F87 K96 F98	F87-L103 HydrophobicContact CD1-CD2 4.31Å; F87-L103 HydrophobicContact CE1-CB 4.48Å; K96-L103 HydrophobicContact CB-CD1 3.8Å; K96-L103 HydrophobicContact CD-CD1 3.97Å; K96-L103 HydrophobicContact CG-CD1 4.29Å; F98-L103 HydrophobicContact CE1-CB 4.27Å; F98-L103 HydrophobicContact CE1-CD1 4.37Å; F98-L103 HydrophobicContact CE2-CD1 4.22Å; F98-L103 HydrophobicContact CZ-CD1 4.07Å
104	D	89.7	Confident	91.7	Very high	61 Å²	61	57.4 Å²	57.4	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-26.8	-178.8	-172.5	69.3	0	0	0	112.1	I97 R99 D102 R123	I97-D104 HydrophobicContact CB-CB 4.38Å; I97-D104 HydrophobicContact CG2-CB 4.06Å; I97-D104 PolarHBondContact O-N 3.05Å; R99-D104 HydrophobicContact CB-CB 4.31Å; R99-D104 IonicContact NE-OD1 3.89Å; D102-D104 PolarHBondContact O-N 3.41Å; D104-R123 IonicContact OD2-CZ 3.51Å; D104-R123 IonicContact OD2-NE 3.86Å; D104-R123 PolarHBondContact OD2-NE 3.27Å; D104-R123 IonicContact OD2-NH2 3.3Å; D104-R123 PolarHBondContact OD2-NH2 2.99Å
105	G	89.9	Confident	91.1	Very high	25 Å²	25	56.8 Å²	56.8	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-177	176.2	0	0	0	0	0	114.3	K96 I97	K96-G105 WeakPolarHBondContact CA-O 3.38Å; I97-G105 PolarHBondContact N-O 3.03Å; I97-G105 PolarHBondContact O-N 2.96Å
106	E	91.7	Very high	90.9	Very high	107 Å²	107	56.3 Å²	56.3	50%	0.5	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	146.3	172.4	-57	-156.4	157.2	0	0	111.5	K96 N108	K96-E106 HydrophobicContact CG-CG 4.45Å; K96-E106 IonicContact NZ-OE1 2.64Å; K96-E106 PolarHBondContact NZ-OE1 3.47Å; E106-N108 PolarHBondContact O-N 3.15Å
107	Y	91.8	Very high	90.6	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.051	30%	0.295	C	S	.	.			trans	-86.7	113.1	174.3	176.9	-86.2	0	0	0	110.1	L38 L95 I97 G109 P110 I116 Y119 M120	L38-Y107 HydrophobicContact CD1-CD2 3.81Å; L38-Y107 HydrophobicContact CD1-CG 3.8Å; L38-Y107 HydrophobicContact CD2-CD2 3.96Å; L38-Y107 HydrophobicContact CD2-CE2 4.12Å; L38-Y107 HydrophobicContact CD2-CG 4.33Å; L95-Y107 HydrophobicContact CB-CD1 4.1Å; L95-Y107 HydrophobicContact CB-CG 4.19Å; L95-Y107 HydrophobicContact CD1-CD1 3.49Å; L95-Y107 VanDerWaalsContact CD1-CD1 3.49Å; L95-Y107 HydrophobicContact CD1-CE1 3.99Å; L95-Y107 HydrophobicContact CD1-CG 4.26Å; L95-Y107 HydrophobicContact CG-CD1 4.45Å; L95-Y107 PolarHBondContact O-N 3.01Å; I97-Y107 HydrophobicContact CD1-CD2 4.28Å; I97-Y107 HydrophobicContact CG1-CD2 4.45Å; Y107-G109 VanDerWaalsContact CE1-C 3.41Å; Y107-G109 VanDerWaalsContact CE1-O 3.25Å; Y107-G109 WeakPolarHBondContact CE1-O 3.49Å; Y107-G109 VanDerWaalsContact CZ-CA 3.47Å; Y107-G109 VanDerWaalsContact OH-C 3.31Å; Y107-G109 WeakPolarHBondContact OH-CA 3.29Å; Y107-P110 PolarHBondContact OH-O 2.94Å; Y107-I116 WeakPolarHBondContact OH-CA 3.42Å; Y107-Y119 AromaticContact CD2-CD1 3.68Å; Y107-Y119 HydrophobicContact CD2-CD1 3.68Å; Y107-Y119 AromaticContact CD2-CE1 3.72Å; Y107-Y119 HydrophobicContact CD2-CE1 3.72Å; Y107-Y119 HydrophobicContact CD2-CG 4.38Å; Y107-Y119 AromaticContact CE2-CD1 3.29Å; Y107-Y119 HydrophobicContact CE2-CD1 3.29Å; Y107-Y119 HydrophobicContact CE2-CD2 4.35Å; Y107-Y119 AromaticContact CE2-CE1 3.8Å; Y107-Y119 HydrophobicContact CE2-CE1 3.8Å; Y107-Y119 AromaticContact CE2-CG 3.62Å; Y107-Y119 HydrophobicContact CE2-CG 3.62Å; Y107-M120 HydrophobicContact CD2-SD 4.08Å; Y107-M120 HydrophobicContact CE2-SD 4.22Å
108	N	83.2	Confident	90.1	Very high	131 Å²	131	59.7 Å²	59.7	70%	0.701	32%	0.317	S	S	*	.			trans	-108.8	14.7	177.3	-65.6	-47	0	0	0	113	E106	E106-N108 PolarHBondContact O-N 3.15Å
109	G	84.5	Confident	89.7	Confident	18 Å²	18	61.2 Å²	61.2	19%	0.186	32%	0.323	C	S	.	.	S	Bend	trans	-81.6	-177.4	-178.3	0	0	0	0	0	114.6	Y107	Y107-G109 VanDerWaalsContact CE1-C 3.41Å; Y107-G109 VanDerWaalsContact CE1-O 3.25Å; Y107-G109 WeakPolarHBondContact CE1-O 3.49Å; Y107-G109 VanDerWaalsContact CZ-CA 3.47Å; Y107-G109 VanDerWaalsContact OH-C 3.31Å; Y107-G109 WeakPolarHBondContact OH-CA 3.29Å
110	P	86.2	Confident	89.6	Confident	55 Å²	55	57.3 Å²	57.3	36%	0.357	31%	0.308	S	S	.	.			trans	-65.8	146.9	-179.5	-15.4	27.8	0	0	0	113	Y107 I116	Y107-P110 PolarHBondContact OH-O 2.94Å; P110-I116 VanDerWaalsContact O-CG1 3.22Å; P110-I116 WeakPolarHBondContact O-CG1 3.33Å
111	R	91.6	Very high	89.4	Confident	156 Å²	156	54.7 Å²	54.7	59%	0.589	29%	0.294	S	S	*	.	S	Bend	trans	-94.5	7.9	-176.5	-69.9	-177.9	177.4	163.5	-0.9	115.5	L52 E55	L52-R111 HydrophobicContact CD1-CB 4.03Å; L52-R111 HydrophobicContact CD1-CG 4.4Å; L52-R111 WeakPolarHBondContact CD1-O 3.27Å; E55-R111 WeakPolarHBondContact CB-O 3.19Å
112	N	90.2	Very high	88.7	Confident	80 Å²	80	57.4 Å²	57.4	43%	0.428	31%	0.311	S	S	.	.	S	Bend	trans	-94.1	158.8	173.1	69	71.1	0	0	0	111.3	E55 N114 G115 I116	E55-N112 WeakPolarHBondContact OE2-CA 3.42Å; N112-N114 PolarHBondContact O-N 3.13Å; N112-N114 PolarHBondContact OD1-N 3.33Å; N112-G115 PolarHBondContact O-N 3.31Å; N112-G115 VanDerWaalsContact O-N 3.15Å; N112-G115 PolarHBondContact OD1-N 2.82Å; N112-I116 WeakPolarHBondContact O-CG1 3.16Å; N112-I116 PolarHBondContact O-N 2.8Å
113	A	92.9	Very high	88.1	Confident	11 Å²	11	53.2 Å²	53.2	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-47	-170	0	0	0	0	0	113.9	E55 A59 I62 A117	E55-A113 WeakPolarHBondContact O-CB 3Å; E55-A113 WeakPolarHBondContact OE2-CB 3.12Å; E55-A113 PolarHBondContact OE2-N 3.24Å; A59-A113 HydrophobicContact CB-CB 4.5Å; A59-A113 WeakPolarHBondContact CB-O 2.86Å; I62-A113 HydrophobicContact CD1-CB 4.13Å; A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.48Å; A113-A117 PolarHBondContact O-N 3.14Å
114	N	87.3	Confident	87.4	Confident	99 Å²	99	50.2 Å²	50.2	53%	0.529	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-41.3	179.5	-73.2	-40.6	0	0	0	111.5	I62 N112 A117 N118	I62-N114 WeakPolarHBondContact CD1-OD1 3.38Å; N112-N114 PolarHBondContact O-N 3.13Å; N112-N114 PolarHBondContact OD1-N 3.33Å; N114-A117 PolarHBondContact O-N 2.89Å; N114-N118 VanDerWaalsContact O-CB 3.26Å; N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 3.22Å; N114-N118 PolarHBondContact O-ND2 2.83Å
115	G	85.5	Confident	86.8	Confident	13 Å²	13	48.9 Å²	48.9	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-43.6	177.7	0	0	0	0	0	112.8	N112 Y119	N112-G115 PolarHBondContact O-N 3.31Å; N112-G115 VanDerWaalsContact O-N 3.15Å; N112-G115 PolarHBondContact OD1-N 2.82Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 3.2Å
116	I	93.8	Very high	86.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-50.6	173.8	-63.5	169.3	0	0	0	110.4	L38 L52 F56 A59 L72 Y107 P110 N112 N118 Y119 M120	L38-I116 HydrophobicContact CD2-CG2 3.74Å; L52-I116 HydrophobicContact CD1-CD1 4.11Å; F56-I116 HydrophobicContact CD2-CD1 4.17Å; A59-I116 HydrophobicContact CB-CB 3.69Å; A59-I116 HydrophobicContact CB-CD1 4.41Å; A59-I116 HydrophobicContact CB-CG2 3.62Å; L72-I116 HydrophobicContact CD1-CG2 4.03Å; L72-I116 HydrophobicContact CD2-CG2 4.32Å; Y107-I116 WeakPolarHBondContact OH-CA 3.42Å; P110-I116 VanDerWaalsContact O-CG1 3.22Å; P110-I116 WeakPolarHBondContact O-CG1 3.33Å; N112-I116 WeakPolarHBondContact O-CG1 3.16Å; N112-I116 PolarHBondContact O-N 2.8Å; I116-N118 PolarHBondContact O-N 3.35Å; I116-Y119 PolarHBondContact O-N 2.58Å; I116-M120 HydrophobicContact CG2-CG 4.32Å; I116-M120 WeakPolarHBondContact O-CB 3.21Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.3Å
117	A	91.2	Very high	86.1	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-49.1	-177.5	0	0	0	0	0	112	I62 I63 A113 N114 Y119 M120 I121	I62-A117 HydrophobicContact CB-CB 3.88Å; I62-A117 HydrophobicContact CD1-CB 4.42Å; I62-A117 HydrophobicContact CG2-CB 3.58Å; I63-A117 HydrophobicContact CD1-CB 4.43Å; I63-A117 HydrophobicContact CG1-CB 3.86Å; A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.48Å; A113-A117 PolarHBondContact O-N 3.14Å; N114-A117 PolarHBondContact O-N 2.89Å; A117-Y119 PolarHBondContact O-N 2.97Å; A117-M120 PolarHBondContact O-N 3.11Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.5Å; A117-I121 WeakPolarHBondContact O-CG1 3.42Å; A117-I121 PolarHBondContact O-N 3.02Å
118	N	84.4	Confident	86.1	Confident	87 Å²	87	49.6 Å²	49.6	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-42.5	-180	-69.3	-18	0	0	0	111.6	N114 I116 S122	N114-N118 VanDerWaalsContact O-CB 3.26Å; N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 3.22Å; N114-N118 PolarHBondContact O-ND2 2.83Å; I116-N118 PolarHBondContact O-N 3.35Å; N118-S122 WeakPolarHBondContact O-CB 3.36Å; N118-S122 PolarHBondContact O-N 2.84Å; N118-S122 VanDerWaalsContact O-N 3.07Å; N118-S122 PolarHBondContact O-OG 3.43Å
119	Y	86.1	Confident	86.5	Confident	33 Å²	33	48.6 Å²	48.6	13%	0.129	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-45.5	177.4	-175.4	-76.7	0	0	0	112.1	I97 Y107 G115 I116 A117 S122 R123 D172	I97-Y119 HydrophobicContact CD1-CE1 3.64Å; Y107-Y119 AromaticContact CD2-CD1 3.68Å; Y107-Y119 HydrophobicContact CD2-CD1 3.68Å; Y107-Y119 AromaticContact CD2-CE1 3.72Å; Y107-Y119 HydrophobicContact CD2-CE1 3.72Å; Y107-Y119 HydrophobicContact CD2-CG 4.38Å; Y107-Y119 AromaticContact CE2-CD1 3.29Å; Y107-Y119 HydrophobicContact CE2-CD1 3.29Å; Y107-Y119 HydrophobicContact CE2-CD2 4.35Å; Y107-Y119 AromaticContact CE2-CE1 3.8Å; Y107-Y119 HydrophobicContact CE2-CE1 3.8Å; Y107-Y119 AromaticContact CE2-CG 3.62Å; Y107-Y119 HydrophobicContact CE2-CG 3.62Å; G115-Y119 WeakPolarHBondContact O-CB 3.45Å; G115-Y119 PolarHBondContact O-N 3.2Å; I116-Y119 PolarHBondContact O-N 2.58Å; A117-Y119 PolarHBondContact O-N 2.97Å; Y119-S122 PolarHBondContact O-OG 2.89Å; Y119-R123 PolarHBondContact O-N 3.08Å; Y119-D172 PolarHBondContact OH-OD1 3.14Å; Y119-D172 VanDerWaalsContact OH-OD1 3.12Å
120	M	90.3	Very high	86.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-74.6	-38.4	-176	-67.9	-53	-53.9	0	0	112.7	V36 L38 I63 V70 L72 I97 Y107 I116 A117 R123 A124	V36-M120 HydrophobicContact CG1-CE 3.5Å; L38-M120 HydrophobicContact CB-CE 3.63Å; L38-M120 HydrophobicContact CB-CG 4.04Å; L38-M120 HydrophobicContact CB-SD 3.67Å; L38-M120 HydrophobicContact CD1-SD 4.26Å; L38-M120 HydrophobicContact CD2-CG 3.85Å; L38-M120 HydrophobicContact CD2-SD 3.93Å; L38-M120 HydrophobicContact CG-SD 4.18Å; I63-M120 HydrophobicContact CD1-CB 4.17Å; V70-M120 HydrophobicContact CG1-CB 3.68Å; V70-M120 HydrophobicContact CG1-CE 4.49Å; L72-M120 HydrophobicContact CD2-CG 4.34Å; I97-M120 HydrophobicContact CG1-CE 4.39Å; I97-M120 HydrophobicContact CG1-SD 4.17Å; I97-M120 HydrophobicContact CG2-CE 4.15Å; Y107-M120 HydrophobicContact CD2-SD 4.08Å; Y107-M120 HydrophobicContact CE2-SD 4.22Å; I116-M120 HydrophobicContact CG2-CG 4.32Å; I116-M120 WeakPolarHBondContact O-CB 3.21Å; I116-M120 WeakPolarHBondContact O-CG 3.45Å; I116-M120 PolarHBondContact O-N 3.3Å; A117-M120 PolarHBondContact O-N 3.11Å; M120-R123 PolarHBondContact O-N 3.29Å; M120-A124 PolarHBondContact O-N 3.19Å
121	I	86.7	Confident	87.1	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.205	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-42.7	175.9	-67	166.3	0	0	0	110.7	I63 K66 T67 A117 R123 A124 G125	I63-I121 HydrophobicContact CG1-CD1 4.15Å; I63-I121 HydrophobicContact CG1-CG1 4.07Å; K66-I121 HydrophobicContact CB-CD1 3.89Å; K66-I121 HydrophobicContact CD-CD1 3.47Å; K66-I121 VanDerWaalsContact CD-CD1 3.47Å; K66-I121 HydrophobicContact CG-CD1 4.28Å; T67-I121 HydrophobicContact CG2-CG1 4.1Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.5Å; A117-I121 WeakPolarHBondContact O-CG1 3.42Å; A117-I121 PolarHBondContact O-N 3.02Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 3.46Å; I121-A124 PolarHBondContact O-N 3.44Å; I121-G125 PolarHBondContact O-N 3.21Å
122	S	78.9	Confident	87	Confident	70 Å²	70	45.8 Å²	45.8	49%	0.49	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-34	178.9	66	0	0	0	0	112.2	N118 Y119	N118-S122 WeakPolarHBondContact O-CB 3.36Å; N118-S122 PolarHBondContact O-N 2.84Å; N118-S122 VanDerWaalsContact O-N 3.07Å; N118-S122 PolarHBondContact O-OG 3.43Å; Y119-S122 PolarHBondContact O-OG 2.89Å
123	R	79.8	Confident	86.8	Confident	31 Å²	31	44.6 Å²	44.6	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-77.5	-18.9	179.7	-161.5	160.2	-176	110.1	-0.1	114.6	R99 D104 Y119 M120 I121 D172	R99-R123 PolarHBondContact NH1-O 2.98Å; R99-R123 PolarHBondContact NH2-O 3.5Å; D104-R123 IonicContact OD2-CZ 3.51Å; D104-R123 IonicContact OD2-NE 3.86Å; D104-R123 PolarHBondContact OD2-NE 3.27Å; D104-R123 IonicContact OD2-NH2 3.3Å; D104-R123 PolarHBondContact OD2-NH2 2.99Å; Y119-R123 PolarHBondContact O-N 3.08Å; M120-R123 PolarHBondContact O-N 3.29Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 3.46Å; R123-D172 IonicContact CZ-OD2 3.16Å; R123-D172 IonicContact NH1-OD1 3.4Å; R123-D172 PolarHBondContact NH1-OD1 2.87Å; R123-D172 IonicContact NH1-OD2 2.65Å; R123-D172 PolarHBondContact NH1-OD2 3.13Å; R123-D172 IonicContact NH2-OD2 3.4Å
124	A	79.4	Confident	86.5	Confident	24 Å²	24	47.5 Å²	47.5	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-94.8	-22.1	172.7	0	0	0	0	0	114	V36 V70 M120 I121	V36-A124 HydrophobicContact CB-CB 3.87Å; V36-A124 HydrophobicContact CG2-CB 3.59Å; V70-A124 HydrophobicContact CG2-CB 3.12Å; M120-A124 PolarHBondContact O-N 3.19Å; I121-A124 PolarHBondContact O-N 3.44Å
125	G	77.1	Confident	86.5	Confident	33 Å²	33	46.4 Å²	46.4	34%	0.34	28%	0.277	S	S	.	.	S	Bend	trans	-60.3	169.6	171.1	0	0	0	0	0	112.4	I121	I121-G125 PolarHBondContact O-N 3.21Å
126	P	82	Confident	86.7	Confident	96 Å²	96	48.8 Å²	48.8	62%	0.623	29%	0.287	S	S	*	.			trans	-58.9	146.3	172.4	29.3	-36.3	0	0	0	109.8	S128	P126-S128 WeakPolarHBondContact CB-O 3.43Å; P126-S128 WeakPolarHBondContact CG-O 3.27Å; P126-S128 PolarHBondContact O-N 2.75Å
127	V	85.8	Confident	86.6	Confident	61 Å²	61	49 Å²	49	37%	0.37	29%	0.288	S	S	.	.	S	Bend	trans	-54.1	-26.2	177.5	-65.4	0	0	0	0	112.3	M164 A167 K168 F176	V127-M164 HydrophobicContact CG2-SD 3.74Å; V127-A167 HydrophobicContact CB-CB 4.4Å; V127-K168 HydrophobicContact CG1-CB 4.32Å; V127-F176 WeakPolarHBondContact O-CB 3.41Å
128	S	91.9	Very high	86.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	-136.1	130.2	166.4	-177.5	0	0	0	0	110.3	P126 F163 F176 C177 H178	P126-S128 WeakPolarHBondContact CB-O 3.43Å; P126-S128 WeakPolarHBondContact CG-O 3.27Å; P126-S128 PolarHBondContact O-N 2.75Å; S128-F163 WeakPolarHBondContact OG-CE1 3.04Å; S128-F176 VanDerWaalsContact CA-O 3.27Å; S128-F176 WeakPolarHBondContact CA-O 3.45Å; S128-F176 PolarHBondContact OG-O 3.46Å; S128-C177 VanDerWaalsContact OG-CA 3.28Å; S128-C177 WeakPolarHBondContact OG-CA 3.32Å; S128-C177 PolarHBondContact OG-N 3.26Å; S128-H178 WeakPolarHBondContact CB-ND1 3.4Å; S128-H178 PolarHBondContact O-CE1 3.03Å; S128-H178 PolarHBondContact OG-N 3.44Å; S128-H178 PolarHBondContact OG-ND1 3.43Å
129	K	91.1	Very high	87	Confident	111 Å²	111	53.8 Å²	53.8	48%	0.483	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.6	177	179.5	175.9	175.7	-176.5	0	111.2	V140 F176 C177 H178	K129-V140 HydrophobicContact CD-CG1 3.97Å; K129-F176 PolarHBondContact N-O 3.17Å; K129-C177 CarbonylContact O-C 3.37Å; K129-C177 WeakPolarHBondContact O-CA 3.48Å; K129-C177 WeakPolarHBondContact O-CB 3.5Å; K129-H178 PolarHBondContact O-N 3.18Å
130	E	91.9	Very high	87.3	Confident	105 Å²	105	53.3 Å²	53.3	49%	0.491	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.3	171.1	-167.3	-179.6	168.1	0	0	110.8	H178 H180	E130-H178 CarbonylContact C-O 3.45Å; E130-H178 WeakPolarHBondContact CA-O 3.2Å; E130-H180 IonicContact OE1-CD2 3.04Å; E130-H180 PolarHBondContact OE1-CD2 3.47Å
131	V	91.9	Very high	87.4	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	31%	0.313	C	S	.	.			trans	-133	127.5	-179.1	176.3	0	0	0	0	108.8	D136 V137 V140 F149 C177 H178 S179 L183	V131-D136 HydrophobicContact CG1-CB 3.61Å; V131-V137 HydrophobicContact CG1-CG2 3.94Å; V131-V140 HydrophobicContact CG2-CG1 4.24Å; V131-V140 HydrophobicContact CG2-CG2 4.06Å; V131-F149 HydrophobicContact CB-CE1 3.93Å; V131-F149 HydrophobicContact CG1-CE1 4.21Å; V131-F149 HydrophobicContact CG2-CE1 3.82Å; V131-F149 HydrophobicContact CG2-CZ 4.07Å; V131-C177 HydrophobicContact CG2-CB 4.14Å; V131-H178 PolarHBondContact N-O 3.4Å; V131-S179 WeakPolarHBondContact O-CA 3.47Å; V131-S179 WeakPolarHBondContact O-CB 3.27Å; V131-S179 PolarHBondContact O-OG 2.98Å; V131-L183 HydrophobicContact CG1-CD1 4.3Å
132	S	88	Confident	87.7	Confident	61 Å²	61	52.9 Å²	52.9	43%	0.427	31%	0.312	S	S	.	.			trans	-112.6	-6.3	-171	-44.3	0	0	0	0	114.8	L183	S132-L183 VanDerWaalsContact C-CD2 3.44Å; S132-L183 WeakPolarHBondContact O-CD2 3.38Å
133	T	87.3	Confident	88.2	Confident	54 Å²	54	53.2 Å²	53.2	33%	0.331	31%	0.308	S	S	.	.	S	Bend	trans	-135.2	154.3	-179.5	77.1	0	0	0	0	112.1	S135 D136 V137	T133-S135 VanDerWaalsContact C-N 3.32Å; T133-S135 PolarHBondContact O-N 3.27Å; T133-S135 PolarHBondContact OG1-OG 3.19Å; T133-D136 PolarHBondContact O-N 3.43Å; T133-D136 WeakPolarHBondContact OG1-CB 3.3Å; T133-D136 PolarHBondContact OG1-N 3.09Å; T133-D136 PolarHBondContact OG1-OD2 3.47Å; T133-V137 PolarHBondContact O-N 3.24Å
134	V	86.1	Confident	88.7	Confident	73 Å²	73	56.1 Å²	56.1	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-39.9	176.7	175.4	0	0	0	0	111.7	D136 V137 L183 F184	V134-D136 VanDerWaalsContact C-N 3.26Å; V134-D136 PolarHBondContact O-N 2.89Å; V134-V137 WeakPolarHBondContact O-CB 3.41Å; V134-V137 PolarHBondContact O-N 2.91Å; V134-L183 HydrophobicContact CG2-CB 3.9Å; V134-L183 WeakPolarHBondContact CG2-O 3.48Å; V134-F184 HydrophobicContact CG1-CE1 3.77Å; V134-F184 HydrophobicContact CG1-CZ 4.34Å; V134-F184 HydrophobicContact CG2-CD1 4.42Å; V134-F184 HydrophobicContact CG2-CE1 4.24Å
135	S	86.9	Confident	89.3	Confident	75 Å²	75	57.1 Å²	57.1	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-34.8	177.7	44.8	0	0	0	0	112.3	T133 V137 E138 N139	T133-S135 VanDerWaalsContact C-N 3.32Å; T133-S135 PolarHBondContact O-N 3.27Å; T133-S135 PolarHBondContact OG1-OG 3.19Å; S135-V137 VanDerWaalsContact C-N 3.28Å; S135-V137 PolarHBondContact O-N 3.26Å; S135-E138 PolarHBondContact O-N 2.84Å; S135-N139 PolarHBondContact O-N 2.85Å; S135-N139 PolarHBondContact O-ND2 2.77Å
136	D	90.3	Very high	90.3	Very high	63 Å²	63	55.6 Å²	55.6	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-71.5	-24.9	179.6	-68	-34	0	0	0	112.6	V131 T133 V134 E138 N139 V140	V131-D136 HydrophobicContact CG1-CB 3.61Å; T133-D136 PolarHBondContact O-N 3.43Å; T133-D136 WeakPolarHBondContact OG1-CB 3.3Å; T133-D136 PolarHBondContact OG1-N 3.09Å; T133-D136 PolarHBondContact OG1-OD2 3.47Å; V134-D136 VanDerWaalsContact C-N 3.26Å; V134-D136 PolarHBondContact O-N 2.89Å; D136-E138 VanDerWaalsContact C-N 3.32Å; D136-E138 PolarHBondContact O-N 2.82Å; D136-N139 PolarHBondContact O-N 3.11Å; D136-V140 WeakPolarHBondContact O-CG1 3.44Å; D136-V140 WeakPolarHBondContact O-CG2 3.12Å; D136-V140 PolarHBondContact O-N 3.37Å; D136-V140 VanDerWaalsContact O-N 3.1Å
137	V	91.6	Very high	91	Very high	5 Å²	5	51 Å²	51	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-48.3	173.4	176.8	0	0	0	0	110.3	V131 T133 V134 S135 N139 V140 L141 F149 F151 L183 F184 Y195	V131-V137 HydrophobicContact CG1-CG2 3.94Å; T133-V137 PolarHBondContact O-N 3.24Å; V134-V137 WeakPolarHBondContact O-CB 3.41Å; V134-V137 PolarHBondContact O-N 2.91Å; S135-V137 VanDerWaalsContact C-N 3.28Å; S135-V137 PolarHBondContact O-N 3.26Å; V137-N139 PolarHBondContact O-N 2.88Å; V137-V140 WeakPolarHBondContact O-CG2 3.35Å; V137-V140 PolarHBondContact O-N 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-F149 HydrophobicContact CB-CZ 4.15Å; V137-F149 HydrophobicContact CG1-CD2 4.43Å; V137-F149 HydrophobicContact CG1-CE1 4.33Å; V137-F149 HydrophobicContact CG1-CE2 3.87Å; V137-F149 HydrophobicContact CG1-CZ 3.8Å; V137-F149 HydrophobicContact CG2-CE1 4.06Å; V137-F149 HydrophobicContact CG2-CZ 4.17Å; V137-F151 HydrophobicContact CG2-CE1 4.37Å; V137-L183 HydrophobicContact CG2-CD1 3.84Å; V137-F184 HydrophobicContact CG1-CZ 4.41Å; V137-F184 HydrophobicContact CG2-CE2 4.45Å; V137-F184 HydrophobicContact CG2-CZ 4.25Å; V137-Y195 HydrophobicContact CG1-CE1 4.36Å; V137-Y195 HydrophobicContact CG1-CE2 4.27Å
138	E	92.4	Very high	91.5	Very high	80 Å²	80	48.1 Å²	48.1	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-39	178.3	-174.8	59.1	-135.7	0	0	112	S135 D136 V140 L141 K198 R201	S135-E138 PolarHBondContact O-N 2.84Å; D136-E138 VanDerWaalsContact C-N 3.32Å; D136-E138 PolarHBondContact O-N 2.82Å; E138-V140 VanDerWaalsContact C-N 3.29Å; E138-V140 PolarHBondContact O-N 3.31Å; E138-L141 PolarHBondContact O-N 3.45Å; E138-K198 VanDerWaalsContact O-CE 3.3Å; E138-K198 WeakPolarHBondContact O-CE 3.48Å; E138-K198 PolarHBondContact O-NZ 3.11Å; E138-R201 IonicContact OE1-NH1 2.63Å; E138-R201 PolarHBondContact OE1-NH1 2.85Å; E138-R201 IonicContact OE2-CZ 2.77Å; E138-R201 IonicContact OE2-NH1 3.72Å; E138-R201 PolarHBondContact OE2-NH1 3.05Å; E138-R201 IonicContact OE2-NH2 2.67Å
139	N	91.6	Very high	91.7	Very high	107 Å²	107	48 Å²	48	57%	0.572	26%	0.261	S	S	*	.	H	α-helix	trans	-64.9	-32.9	-177.7	-69.6	-28.4	0	0	0	112.8	S135 D136 V137	S135-N139 PolarHBondContact O-N 2.85Å; S135-N139 PolarHBondContact O-ND2 2.77Å; D136-N139 PolarHBondContact O-N 3.11Å; V137-N139 PolarHBondContact O-N 2.88Å
140	V	91.7	Very high	91.8	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-89.8	-6.4	-177.5	-57.2	0	0	0	0	114.7	K129 V131 D136 V137 E138 S142 F149	K129-V140 HydrophobicContact CD-CG1 3.97Å; V131-V140 HydrophobicContact CG2-CG1 4.24Å; V131-V140 HydrophobicContact CG2-CG2 4.06Å; D136-V140 WeakPolarHBondContact O-CG1 3.44Å; D136-V140 WeakPolarHBondContact O-CG2 3.12Å; D136-V140 PolarHBondContact O-N 3.37Å; D136-V140 VanDerWaalsContact O-N 3.1Å; V137-V140 WeakPolarHBondContact O-CG2 3.35Å; V137-V140 PolarHBondContact O-N 3.26Å; E138-V140 VanDerWaalsContact C-N 3.29Å; E138-V140 PolarHBondContact O-N 3.31Å; V140-S142 PolarHBondContact O-N 3.16Å; V140-F149 HydrophobicContact CG2-CE1 4.48Å; V140-F149 HydrophobicContact CG2-CE2 3.86Å; V140-F149 HydrophobicContact CG2-CZ 3.37Å
141	L	93.9	Very high	91.7	Very high	5 Å²	5	38 Å²	38	3%	0.026	22%	0.217	C	C	.	.			trans	-60.5	133.5	175.6	-56.5	-176.8	0	0	0	110.4	V137 E138 T147 F149 Y195 K198	V137-L141 WeakPolarHBondContact O-CG 3.31Å; E138-L141 PolarHBondContact O-N 3.45Å; L141-T147 WeakPolarHBondContact CA-OG1 3.36Å; L141-T147 HydrophobicContact CD2-CG2 4.05Å; L141-F149 HydrophobicContact CD2-CE2 4.11Å; L141-Y195 HydrophobicContact CD1-CD1 4.15Å; L141-Y195 HydrophobicContact CD2-CD1 4.06Å; L141-Y195 HydrophobicContact CD2-CD2 4.25Å; L141-Y195 HydrophobicContact CD2-CG 3.7Å; L141-K198 HydrophobicContact CB-CG 4.09Å; L141-K198 WeakPolarHBondContact O-CE 3.35Å; L141-K198 PolarHBondContact O-NZ 3.16Å; L141-K198 VanDerWaalsContact O-NZ 3.13Å
142	S	92.3	Very high	91.6	Very high	27 Å²	27	37.9 Å²	37.9	19%	0.189	22%	0.216	C	C	.	.			trans	-73.7	154.8	177.7	-156.8	0	0	0	0	111.4	V140 D144 K145 T147 P197 K198	V140-S142 PolarHBondContact O-N 3.16Å; S142-D144 PolarHBondContact OG-OD1 3.23Å; S142-K145 VanDerWaalsContact CB-O 3.29Å; S142-K145 WeakPolarHBondContact CB-O 3.23Å; S142-T147 PolarHBondContact N-OG1 3.31Å; S142-P197 CarbonylContact O-C 3.6Å; S142-P197 WeakPolarHBondContact O-CA 3.44Å; S142-K198 PolarHBondContact O-N 3.04Å
143	D	89.9	Confident	91.2	Very high	77 Å²	77	40 Å²	40	41%	0.412	22%	0.217	S	C	.	.	S	Bend	trans	-73	-32.1	174.1	-79.3	-16.2	0	0	0	112.6	P197 K198 R199	D143-P197 WeakPolarHBondContact O-CB 3.25Å; D143-K198 WeakPolarHBondContact OD1-CD 3.36Å; D143-R199 HydrophobicContact CB-CG 4.39Å; D143-R199 VanDerWaalsContact O-CB 3.31Å; D143-R199 WeakPolarHBondContact O-CB 3.32Å; D143-R199 WeakPolarHBondContact O-CD 3.11Å; D143-R199 WeakPolarHBondContact O-CG 3.49Å; D143-R199 PolarHBondContact O-N 3.25Å
144	D	89.4	Confident	90.9	Very high	91 Å²	91	39.5 Å²	39.5	49%	0.487	22%	0.216	S	C	.	.	S	Bend	trans	-127.3	-18.3	-165.1	61.7	-12.1	0	0	0	115.3	S142	S142-D144 PolarHBondContact OG-OD1 3.23Å
145	K	93.1	Very high	90.7	Very high	46 Å²	46	40 Å²	40	20%	0.2	22%	0.222	C	C	.	.	S	Bend	trans	-115.9	148.5	179.3	-65.1	-174.3	-172.4	-169.3	0	111.3	S142 D172	S142-K145 VanDerWaalsContact CB-O 3.29Å; S142-K145 WeakPolarHBondContact CB-O 3.23Å; K145-D172 WeakPolarHBondContact CE-O 3.24Å; K145-D172 PolarHBondContact NZ-O 3.15Å
146	P	97.1	Very high	90.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.			trans	-61.6	148.9	169.8	22.9	-29.8	0	0	0	110.6	A174 V175 V194 Y195 G228 Y242	P146-A174 HydrophobicContact CG-CB 3.96Å; P146-A174 WeakPolarHBondContact O-CA 3.1Å; P146-A174 WeakPolarHBondContact O-CB 3.37Å; P146-V175 PolarHBondContact O-N 3.28Å; P146-V194 HydrophobicContact CB-CG2 3.8Å; P146-Y195 VanDerWaalsContact CA-O 3.3Å; P146-Y195 WeakPolarHBondContact CA-O 3.45Å; P146-G228 WeakPolarHBondContact CB-O 3.34Å; P146-Y242 HydrophobicContact CG-CE1 4.2Å; P146-Y242 WeakPolarHBondContact CG-OH 3.41Å
147	T	97	Very high	90.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.3	173	-56.8	0	0	0	0	109.6	L141 S142 F149 V175 Y195	L141-T147 WeakPolarHBondContact CA-OG1 3.36Å; L141-T147 HydrophobicContact CD2-CG2 4.05Å; S142-T147 PolarHBondContact N-OG1 3.31Å; T147-F149 HydrophobicContact CG2-CD2 3.76Å; T147-F149 HydrophobicContact CG2-CE2 3.5Å; T147-F149 VanDerWaalsContact CG2-CE2 3.5Å; T147-V175 CarbonylContact C-O 3.51Å; T147-V175 VanDerWaalsContact CA-O 3.24Å; T147-V175 WeakPolarHBondContact CA-O 3.41Å; T147-V175 HydrophobicContact CG2-CB 4.19Å; T147-V175 HydrophobicContact CG2-CG1 4.1Å; T147-Y195 PolarHBondContact N-O 2.93Å; T147-Y195 PolarHBondContact O-N 2.91Å
148	V	96.6	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.5	177.8	-165.9	0	0	0	0	109	F163 A174 V175 F176 C177 R193 V194 W223 I224	V148-F163 HydrophobicContact CB-CE2 4.45Å; V148-F163 HydrophobicContact CG1-CE2 3.83Å; V148-F163 HydrophobicContact CG1-CZ 4.41Å; V148-A174 HydrophobicContact CG2-CB 3.98Å; V148-V175 PolarHBondContact N-O 3.31Å; V148-F176 HydrophobicContact CB-CD1 3.76Å; V148-F176 HydrophobicContact CB-CE1 3.74Å; V148-F176 HydrophobicContact CB-CG 4.49Å; V148-F176 HydrophobicContact CB-CZ 4.47Å; V148-F176 HydrophobicContact CG1-CD1 4.29Å; V148-F176 HydrophobicContact CG1-CE1 4.13Å; V148-F176 HydrophobicContact CG2-CD1 4.27Å; V148-F176 HydrophobicContact CG2-CE1 3.83Å; V148-F176 HydrophobicContact CG2-CZ 4.1Å; V148-F176 CarbonylContact O-C 3.5Å; V148-F176 WeakPolarHBondContact O-CA 3.47Å; V148-C177 PolarHBondContact O-N 3.13Å; V148-R193 CarbonylContact C-O 3.57Å; V148-R193 VanDerWaalsContact CA-O 3.28Å; V148-R193 WeakPolarHBondContact CA-O 3.31Å; V148-R193 WeakPolarHBondContact CG1-O 3.39Å; V148-V194 HydrophobicContact CG2-CG2 4.23Å; V148-W223 HydrophobicContact CG1-CZ3 4.45Å; V148-I224 HydrophobicContact CG1-CD1 4.23Å; V148-I224 HydrophobicContact CG1-CG1 4.44Å; V148-I224 HydrophobicContact CG2-CD1 3.8Å; V148-I224 HydrophobicContact CG2-CG1 3.87Å; V148-I224 HydrophobicContact CG2-CG2 4.18Å
149	F	94.8	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.3	177.4	-92.5	-93.1	0	0	0	111.5	V131 V137 V140 L141 T147 F151 C177 L192 R193 Y195	V131-F149 HydrophobicContact CB-CE1 3.93Å; V131-F149 HydrophobicContact CG1-CE1 4.21Å; V131-F149 HydrophobicContact CG2-CE1 3.82Å; V131-F149 HydrophobicContact CG2-CZ 4.07Å; V137-F149 HydrophobicContact CB-CZ 4.15Å; V137-F149 HydrophobicContact CG1-CD2 4.43Å; V137-F149 HydrophobicContact CG1-CE1 4.33Å; V137-F149 HydrophobicContact CG1-CE2 3.87Å; V137-F149 HydrophobicContact CG1-CZ 3.8Å; V137-F149 HydrophobicContact CG2-CE1 4.06Å; V137-F149 HydrophobicContact CG2-CZ 4.17Å; V140-F149 HydrophobicContact CG2-CE1 4.48Å; V140-F149 HydrophobicContact CG2-CE2 3.86Å; V140-F149 HydrophobicContact CG2-CZ 3.37Å; L141-F149 HydrophobicContact CD2-CE2 4.11Å; T147-F149 HydrophobicContact CG2-CD2 3.76Å; T147-F149 HydrophobicContact CG2-CE2 3.5Å; T147-F149 VanDerWaalsContact CG2-CE2 3.5Å; F149-F151 HydrophobicContact CB-CD2 4.24Å; F149-F151 HydrophobicContact CB-CE2 3.44Å; F149-F151 VanDerWaalsContact CB-CE2 3.44Å; F149-F151 HydrophobicContact CB-CZ 3.59Å; F149-F151 AromaticContact CD1-CE1 3.94Å; F149-F151 HydrophobicContact CD1-CE1 3.94Å; F149-F151 HydrophobicContact CD1-CE2 4.33Å; F149-F151 AromaticContact CD1-CZ 3.63Å; F149-F151 HydrophobicContact CD1-CZ 3.63Å; F149-F151 HydrophobicContact CE1-CZ 4.45Å; F149-F151 HydrophobicContact CG-CE1 4.5Å; F149-F151 HydrophobicContact CG-CE2 4.13Å; F149-F151 AromaticContact CG-CZ 3.75Å; F149-F151 HydrophobicContact CG-CZ 3.75Å; F149-C177 CarbonylContact C-O 3.49Å; F149-C177 VanDerWaalsContact CA-O 3.27Å; F149-C177 WeakPolarHBondContact CA-O 2.96Å; F149-C177 HydrophobicContact CD1-CB 3.62Å; F149-C177 HydrophobicContact CD2-CB 4.08Å; F149-C177 HydrophobicContact CE1-CB 3.3Å; F149-C177 HydrophobicContact CE2-CB 3.8Å; F149-C177 HydrophobicContact CG-CB 4.02Å; F149-C177 HydrophobicContact CZ-CB 3.41Å; F149-C177 VanDerWaalsContact CZ-CB 3.41Å; F149-L192 CarbonylContact O-C 3.5Å; F149-L192 VanDerWaalsContact O-CA 3.29Å; F149-L192 WeakPolarHBondContact O-CA 3.48Å; F149-R193 HydrophobicContact CB-CB 4.46Å; F149-R193 PolarHBondContact N-O 3.34Å; F149-R193 PolarHBondContact O-N 2.84Å; F149-Y195 HydrophobicContact CB-CE2 4.2Å; F149-Y195 AromaticContact CD2-CD2 3.73Å; F149-Y195 HydrophobicContact CD2-CD2 3.73Å; F149-Y195 AromaticContact CD2-CE2 3.79Å; F149-Y195 HydrophobicContact CD2-CE2 3.79Å; F149-Y195 HydrophobicContact CE2-CD2 4.42Å; F149-Y195 HydrophobicContact CG-CE2 4.23Å
150	A	93.6	Very high	89.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.2	161.2	0	0	0	0	0	110.4	V152 F163 C177 H178 S179 L192	A150-V152 HydrophobicContact CB-CG1 4.27Å; A150-F163 HydrophobicContact CB-CB 4.38Å; A150-F163 HydrophobicContact CB-CD1 3.63Å; A150-F163 HydrophobicContact CB-CD2 3.74Å; A150-F163 HydrophobicContact CB-CE1 3.67Å; A150-F163 HydrophobicContact CB-CE2 3.79Å; A150-F163 HydrophobicContact CB-CG 3.65Å; A150-F163 HydrophobicContact CB-CZ 3.75Å; A150-C177 PolarHBondContact N-O 3.03Å; A150-H178 HydrophobicContact CB-CB 4.28Å; A150-H178 CarbonylContact O-C 3.58Å; A150-H178 WeakPolarHBondContact O-CA 3.31Å; A150-S179 PolarHBondContact O-N 2.02Å; A150-L192 HydrophobicContact CB-CD2 3.54Å
151	F	91.2	Very high	89.2	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.4	168	-56.6	-80.4	0	0	0	107.4	V137 F149 L183 F184 N190 E191 R193 Y195	V137-F151 HydrophobicContact CG2-CE1 4.37Å; F149-F151 HydrophobicContact CB-CD2 4.24Å; F149-F151 HydrophobicContact CB-CE2 3.44Å; F149-F151 VanDerWaalsContact CB-CE2 3.44Å; F149-F151 HydrophobicContact CB-CZ 3.59Å; F149-F151 AromaticContact CD1-CE1 3.94Å; F149-F151 HydrophobicContact CD1-CE1 3.94Å; F149-F151 HydrophobicContact CD1-CE2 4.33Å; F149-F151 AromaticContact CD1-CZ 3.63Å; F149-F151 HydrophobicContact CD1-CZ 3.63Å; F149-F151 HydrophobicContact CE1-CZ 4.45Å; F149-F151 HydrophobicContact CG-CE1 4.5Å; F149-F151 HydrophobicContact CG-CE2 4.13Å; F149-F151 AromaticContact CG-CZ 3.75Å; F149-F151 HydrophobicContact CG-CZ 3.75Å; F151-L183 HydrophobicContact CE1-CD1 4.16Å; F151-F184 HydrophobicContact CD1-CD2 4.4Å; F151-F184 HydrophobicContact CD1-CE2 4.35Å; F151-F184 HydrophobicContact CE1-CD2 4.06Å; F151-F184 AromaticContact CE1-CE2 3.58Å; F151-F184 HydrophobicContact CE1-CE2 3.58Å; F151-F184 HydrophobicContact CE2-CE2 4.25Å; F151-F184 HydrophobicContact CZ-CD2 4.19Å; F151-F184 AromaticContact CZ-CE2 3.53Å; F151-F184 HydrophobicContact CZ-CE2 3.53Å; F151-N190 CarbonylContact O-C 3.52Å; F151-N190 VanDerWaalsContact O-CA 3.29Å; F151-N190 WeakPolarHBondContact O-CA 3.14Å; F151-E191 HydrophobicContact CB-CB 4.5Å; F151-E191 PolarHBondContact N-O 3.28Å; F151-E191 PolarHBondContact O-N 3.04Å; F151-R193 HydrophobicContact CD2-CG 4.28Å; F151-R193 HydrophobicContact CE2-CB 4.15Å; F151-R193 HydrophobicContact CE2-CG 3.85Å; F151-Y195 HydrophobicContact CE2-CE2 4.47Å; F151-Y195 HydrophobicContact CZ-CE2 4.46Å
152	V	88.4	Confident	89	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.			trans	-118.8	144.9	-176.6	-61.7	0	0	0	0	110.7	A150 S154 D157 L159 I160 S179 H180 N190	A150-V152 HydrophobicContact CB-CG1 4.27Å; V152-S154 VanDerWaalsContact C-N 3.27Å; V152-S154 WeakPolarHBondContact CG2-O 3.25Å; V152-S154 PolarHBondContact O-N 3.39Å; V152-D157 HydrophobicContact CB-CB 4.47Å; V152-L159 HydrophobicContact CG1-CB 4.47Å; V152-L159 HydrophobicContact CG1-CD2 4.01Å; V152-L159 HydrophobicContact CG1-CG 4.3Å; V152-I160 HydrophobicContact CG2-CD1 4.22Å; V152-S179 WeakPolarHBondContact CG2-O 3.5Å; V152-S179 PolarHBondContact N-O 2.91Å; V152-H180 WeakPolarHBondContact CG2-ND1 3.14Å; V152-H180 CarbonylContact O-C 3.56Å; V152-H180 WeakPolarHBondContact O-CA 3.05Å; V152-N190 WeakPolarHBondContact CA-OD1 3.44Å
153	K	80.3	Confident	89	Confident	107 Å²	107	45.2 Å²	45.2	47%	0.465	25%	0.251	S	S	.	.	S	Bend	trans	-64.6	-30.9	179.3	-67.9	176.1	-172.1	170.6	0	113.7	S188 D189 N190	K153-S188 WeakPolarHBondContact CE-O 3.49Å; K153-S188 PolarHBondContact NZ-O 2.83Å; K153-D189 IonicContact NZ-OD1 3.75Å; K153-D189 PolarHBondContact NZ-OD1 3.22Å; K153-N190 PolarHBondContact N-OD1 2.84Å
154	S	81.1	Confident	89.1	Confident	43 Å²	43	44.2 Å²	44.2	30%	0.301	25%	0.245	S	C	.	.			trans	-152.7	156.4	-176.4	76.3	0	0	0	0	111.1	V152 S156 D157	V152-S154 VanDerWaalsContact C-N 3.27Å; V152-S154 WeakPolarHBondContact CG2-O 3.25Å; V152-S154 PolarHBondContact O-N 3.39Å; S154-S156 PolarHBondContact O-N 2.58Å; S154-S156 PolarHBondContact OG-N 2.84Å; S154-S156 PolarHBondContact OG-OG 3.35Å; S154-S156 VanDerWaalsContact OG-OG 3.1Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.18Å; S154-D157 PolarHBondContact OG-N 3.06Å
155	S	81.4	Confident	89.2	Confident	83 Å²	83	42.9 Å²	42.9	58%	0.58	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.5	174.9	55.8	0	0	0	0	114.1	H180	S155-H180 VanDerWaalsContact CA-CE1 3.42Å; S155-H180 WeakPolarHBondContact CA-CE1 3.4Å
156	S	82.4	Confident	89.2	Confident	100 Å²	100	40.8 Å²	40.8	70%	0.699	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.2	176.6	55.8	0	0	0	0	113.9	S154	S154-S156 PolarHBondContact O-N 2.58Å; S154-S156 PolarHBondContact OG-N 2.84Å; S154-S156 PolarHBondContact OG-OG 3.35Å; S154-S156 VanDerWaalsContact OG-OG 3.1Å
157	D	84.6	Confident	89.1	Confident	35 Å²	35	40.8 Å²	40.8	19%	0.187	24%	0.237	C	C	.	.			trans	-64.4	130.9	-179	-165.9	-73.1	0	0	0	111.7	V152 S154 L159 I160 N190	V152-D157 HydrophobicContact CB-CB 4.47Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.18Å; S154-D157 PolarHBondContact OG-N 3.06Å; D157-L159 PolarHBondContact O-N 2.79Å; D157-L159 WeakPolarHBondContact OD1-CB 3.41Å; D157-L159 PolarHBondContact OD1-N 3.3Å; D157-I160 WeakPolarHBondContact O-CB 3.27Å; D157-I160 WeakPolarHBondContact O-CG2 3.29Å; D157-I160 PolarHBondContact O-N 2.77Å; D157-N190 PolarHBondContact OD1-ND2 3.37Å; D157-N190 VanDerWaalsContact OD1-ND2 3.13Å; D157-N190 PolarHBondContact OD2-ND2 3.25Å
158	P	83	Confident	88.7	Confident	102 Å²	102	48.2 Å²	48.2	66%	0.662	27%	0.269	S	S	*	.	H	α-helix	trans	-53.5	-29.2	179.6	-27.2	35.2	0	0	0	114.5	I160 K161 T162	P158-I160 PolarHBondContact O-N 2.79Å; P158-K161 PolarHBondContact O-N 3.01Å; P158-T162 PolarHBondContact O-N 2.88Å
159	L	85.7	Confident	88.4	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-34.7	175.8	178.8	58.5	0	0	0	111.9	V152 D157 K161 T162 F163 N190 L192 L215	V152-L159 HydrophobicContact CG1-CB 4.47Å; V152-L159 HydrophobicContact CG1-CD2 4.01Å; V152-L159 HydrophobicContact CG1-CG 4.3Å; D157-L159 PolarHBondContact O-N 2.79Å; D157-L159 WeakPolarHBondContact OD1-CB 3.41Å; D157-L159 PolarHBondContact OD1-N 3.3Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 3.37Å; L159-T162 PolarHBondContact O-N 3.02Å; L159-F163 VanDerWaalsContact O-CB 3.22Å; L159-F163 WeakPolarHBondContact O-CB 3.47Å; L159-F163 PolarHBondContact O-N 3.11Å; L159-N190 HydrophobicContact CD2-CB 3.67Å; L159-L192 HydrophobicContact CD1-CD1 4.39Å; L159-L192 HydrophobicContact CD1-CD2 4.35Å; L159-L192 HydrophobicContact CD2-CD2 4.17Å; L159-L215 HydrophobicContact CD1-CD1 3.96Å; L159-L215 HydrophobicContact CD1-CD2 3.65Å; L159-L215 HydrophobicContact CD1-CG 4.36Å
160	I	89.8	Confident	88.2	Confident	23 Å²	23	51.2 Å²	51.2	12%	0.118	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-38.6	-178.8	-157.5	61.2	0	0	0	111.2	V152 D157 P158 F163 M164 H178	V152-I160 HydrophobicContact CG2-CD1 4.22Å; D157-I160 WeakPolarHBondContact O-CB 3.27Å; D157-I160 WeakPolarHBondContact O-CG2 3.29Å; D157-I160 PolarHBondContact O-N 2.77Å; P158-I160 PolarHBondContact O-N 2.79Å; I160-F163 PolarHBondContact O-N 3.12Å; I160-M164 HydrophobicContact CD1-CE 4.24Å; I160-M164 HydrophobicContact CG1-CE 4.29Å; I160-M164 WeakPolarHBondContact O-CB 3.48Å; I160-M164 WeakPolarHBondContact O-CG 3.34Å; I160-M164 PolarHBondContact O-N 2.69Å; I160-H178 HydrophobicContact CD1-CB 3.98Å
161	K	88.6	Confident	87.8	Confident	171 Å²	171	53.6 Å²	53.6	74%	0.743	30%	0.304	S	S	*	.	H	α-helix	trans	-68.3	-45.6	179.9	-175.6	-179.9	177.3	-177.6	0	110.8	P158 L159 F163 M164 A165	P158-K161 PolarHBondContact O-N 3.01Å; L159-K161 VanDerWaalsContact C-N 3.27Å; L159-K161 PolarHBondContact O-N 3.37Å; K161-F163 VanDerWaalsContact C-N 3.3Å; K161-F163 PolarHBondContact O-N 3.38Å; K161-M164 PolarHBondContact O-N 3.05Å; K161-A165 PolarHBondContact O-N 2.88Å
162	T	88.8	Confident	87.4	Confident	53 Å²	53	56.4 Å²	56.4	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.2	-58.7	0	0	0	0	111	P158 L159 A165 L166	P158-T162 PolarHBondContact O-N 2.88Å; L159-T162 PolarHBondContact O-N 3.02Å; T162-A165 PolarHBondContact O-N 3.4Å; T162-L166 WeakPolarHBondContact O-CB 3.28Å; T162-L166 PolarHBondContact O-N 3.23Å
163	F	92.8	Very high	87.5	Confident	2 Å²	2	58 Å²	58	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-42.8	178.5	-174.8	-107.3	0	0	0	112.6	S128 V148 A150 L159 I160 K161 A165 L166 A167 F176 C177 H178 L192	S128-F163 WeakPolarHBondContact OG-CE1 3.04Å; V148-F163 HydrophobicContact CB-CE2 4.45Å; V148-F163 HydrophobicContact CG1-CE2 3.83Å; V148-F163 HydrophobicContact CG1-CZ 4.41Å; A150-F163 HydrophobicContact CB-CB 4.38Å; A150-F163 HydrophobicContact CB-CD1 3.63Å; A150-F163 HydrophobicContact CB-CD2 3.74Å; A150-F163 HydrophobicContact CB-CE1 3.67Å; A150-F163 HydrophobicContact CB-CE2 3.79Å; A150-F163 HydrophobicContact CB-CG 3.65Å; A150-F163 HydrophobicContact CB-CZ 3.75Å; L159-F163 VanDerWaalsContact O-CB 3.22Å; L159-F163 WeakPolarHBondContact O-CB 3.47Å; L159-F163 PolarHBondContact O-N 3.11Å; I160-F163 PolarHBondContact O-N 3.12Å; K161-F163 VanDerWaalsContact C-N 3.3Å; K161-F163 PolarHBondContact O-N 3.38Å; F163-A165 PolarHBondContact O-N 2.85Å; F163-L166 WeakPolarHBondContact O-CB 3.4Å; F163-L166 PolarHBondContact O-N 3.02Å; F163-A167 VanDerWaalsContact O-CB 3.3Å; F163-A167 WeakPolarHBondContact O-CB 3.26Å; F163-A167 PolarHBondContact O-N 2.9Å; F163-F176 HydrophobicContact CE1-CB 4.37Å; F163-F176 HydrophobicContact CE1-CD1 4.41Å; F163-F176 AromaticContact CE2-CD1 3.78Å; F163-F176 HydrophobicContact CE2-CD1 3.78Å; F163-F176 HydrophobicContact CE2-CE1 4.36Å; F163-F176 HydrophobicContact CZ-CB 4.17Å; F163-F176 AromaticContact CZ-CD1 3.69Å; F163-F176 HydrophobicContact CZ-CD1 3.69Å; F163-F176 HydrophobicContact CZ-CG 4.44Å; F163-C177 WeakPolarHBondContact CE1-O 2.91Å; F163-C177 WeakPolarHBondContact CZ-O 3.43Å; F163-H178 HydrophobicContact CD1-CB 4.5Å; F163-H178 HydrophobicContact CE1-CB 4.17Å; F163-L192 HydrophobicContact CD2-CD2 3.91Å; F163-L192 HydrophobicContact CE2-CD2 4.18Å
164	M	91.8	Very high	88.1	Confident	57 Å²	57	53 Å²	53	28%	0.281	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-39.5	175.5	-69.7	-68.5	-178.2	0	0	112.1	V127 I160 K161 A167 K168 H178	V127-M164 HydrophobicContact CG2-SD 3.74Å; I160-M164 HydrophobicContact CD1-CE 4.24Å; I160-M164 HydrophobicContact CG1-CE 4.29Å; I160-M164 WeakPolarHBondContact O-CB 3.48Å; I160-M164 WeakPolarHBondContact O-CG 3.34Å; I160-M164 PolarHBondContact O-N 2.69Å; K161-M164 PolarHBondContact O-N 3.05Å; M164-A167 PolarHBondContact O-N 3.46Å; M164-K168 WeakPolarHBondContact O-CB 3.37Å; M164-K168 PolarHBondContact O-N 3.07Å; M164-H178 VanDerWaalsContact CE-CE1 3.47Å; M164-H178 WeakPolarHBondContact CE-CE1 3.45Å
165	A	92	Very high	88.7	Confident	63 Å²	63	53 Å²	53	52%	0.521	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-42.9	174.9	0	0	0	0	0	111.7	K161 T162 F163 K168 S169	K161-A165 PolarHBondContact O-N 2.88Å; T162-A165 PolarHBondContact O-N 3.4Å; F163-A165 PolarHBondContact O-N 2.85Å; A165-K168 PolarHBondContact O-N 3.4Å; A165-S169 PolarHBondContact O-N 3.45Å; A165-S169 VanDerWaalsContact O-N 3.14Å
166	L	93.3	Very high	89.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-50.4	174	178.9	71.3	0	0	0	111.2	T162 F163 K168 S169 M170 F176 I220 K221 I224	T162-L166 WeakPolarHBondContact O-CB 3.28Å; T162-L166 PolarHBondContact O-N 3.23Å; F163-L166 WeakPolarHBondContact O-CB 3.4Å; F163-L166 PolarHBondContact O-N 3.02Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.18Å; L166-S169 CarbonylContact O-C 3.58Å; L166-S169 WeakPolarHBondContact O-CA 3.26Å; L166-S169 PolarHBondContact O-N 3.02Å; L166-S169 PolarHBondContact O-OG 2.67Å; L166-M170 HydrophobicContact CD1-CG 4.34Å; L166-M170 HydrophobicContact CD1-SD 3.8Å; L166-M170 HydrophobicContact CG-SD 4.28Å; L166-M170 PolarHBondContact O-N 3.18Å; L166-M170 VanDerWaalsContact O-N 3.08Å; L166-F176 HydrophobicContact CD2-CE1 4.15Å; L166-F176 HydrophobicContact CG-CE1 4.18Å; L166-I220 HydrophobicContact CD2-CB 4Å; L166-I220 HydrophobicContact CD2-CD1 4.46Å; L166-I220 HydrophobicContact CD2-CG2 3.39Å; L166-K221 HydrophobicContact CD1-CD 4.37Å; L166-K221 HydrophobicContact CD1-CG 3.59Å; L166-I224 HydrophobicContact CD2-CD1 4Å
167	A	93.3	Very high	89.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-45.1	179.2	0	0	0	0	0	111.9	V127 F163 M164 S169 M170 V171 F176	V127-A167 HydrophobicContact CB-CB 4.4Å; F163-A167 VanDerWaalsContact O-CB 3.3Å; F163-A167 WeakPolarHBondContact O-CB 3.26Å; F163-A167 PolarHBondContact O-N 2.9Å; M164-A167 PolarHBondContact O-N 3.46Å; A167-S169 VanDerWaalsContact C-N 3.27Å; A167-S169 PolarHBondContact O-N 3.46Å; A167-M170 CarbonylContact O-C 3.18Å; A167-M170 PolarHBondContact O-N 2.63Å; A167-V171 PolarHBondContact O-N 3.25Å; A167-F176 HydrophobicContact CB-CB 3.6Å; A167-F176 HydrophobicContact CB-CD1 3.61Å; A167-F176 HydrophobicContact CB-CD2 3.8Å; A167-F176 HydrophobicContact CB-CE1 4.25Å; A167-F176 HydrophobicContact CB-CE2 4.41Å; A167-F176 HydrophobicContact CB-CG 3.37Å
168	K	88.8	Confident	90.4	Very high	157 Å²	157	43.6 Å²	43.6	68%	0.683	24%	0.24	S	C	*	.	H	α-helix	trans	-59	-39	174.2	-173.9	178.8	179.8	-179	0	112.1	V127 M164 A165 L166 M170	V127-K168 HydrophobicContact CG1-CB 4.32Å; M164-K168 WeakPolarHBondContact O-CB 3.37Å; M164-K168 PolarHBondContact O-N 3.07Å; A165-K168 PolarHBondContact O-N 3.4Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.18Å; K168-M170 VanDerWaalsContact C-N 3.32Å
169	S	90.4	Very high	90.8	Very high	60 Å²	60	38.8 Å²	38.8	42%	0.42	21%	0.208	S	C	.	.	H	α-helix	trans	-77.6	-13.7	-178.7	77.4	0	0	0	0	114.8	A165 L166 A167 K221	A165-S169 PolarHBondContact O-N 3.45Å; A165-S169 VanDerWaalsContact O-N 3.14Å; L166-S169 CarbonylContact O-C 3.58Å; L166-S169 WeakPolarHBondContact O-CA 3.26Å; L166-S169 PolarHBondContact O-N 3.02Å; L166-S169 PolarHBondContact O-OG 2.67Å; A167-S169 VanDerWaalsContact C-N 3.27Å; A167-S169 PolarHBondContact O-N 3.46Å; S169-K221 WeakPolarHBondContact OG-CE 3.5Å; S169-K221 PolarHBondContact OG-NZ 2.66Å
170	M	91.6	Very high	90.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	19.8	-174.3	-67.4	-169	82.5	0	0	112.6	L166 A167 K168 D172 D173 A174 F176 K221 I224	L166-M170 HydrophobicContact CD1-CG 4.34Å; L166-M170 HydrophobicContact CD1-SD 3.8Å; L166-M170 HydrophobicContact CG-SD 4.28Å; L166-M170 PolarHBondContact O-N 3.18Å; L166-M170 VanDerWaalsContact O-N 3.08Å; A167-M170 CarbonylContact O-C 3.18Å; A167-M170 PolarHBondContact O-N 2.63Å; K168-M170 VanDerWaalsContact C-N 3.32Å; M170-D172 PolarHBondContact O-N 3.38Å; M170-D172 VanDerWaalsContact O-N 3.11Å; M170-D173 HydrophobicContact CB-CB 4.34Å; M170-D173 HydrophobicContact CE-CB 4.06Å; M170-D173 PolarHBondContact O-N 3.02Å; M170-A174 PolarHBondContact O-N 3.18Å; M170-A174 VanDerWaalsContact O-N 3.12Å; M170-F176 HydrophobicContact CB-CE2 3.66Å; M170-F176 HydrophobicContact CB-CZ 3.57Å; M170-F176 HydrophobicContact CG-CZ 4.39Å; M170-F176 HydrophobicContact SD-CZ 4.13Å; M170-K221 HydrophobicContact CE-CG 4.41Å; M170-K221 HydrophobicContact CG-CG 4.27Å; M170-K221 HydrophobicContact SD-CB 4.28Å; M170-K221 HydrophobicContact SD-CG 3.59Å; M170-K221 VanDerWaalsContact SD-CG 3.59Å; M170-I224 HydrophobicContact CE-CB 4.24Å; M170-I224 HydrophobicContact CE-CD1 4.28Å; M170-I224 HydrophobicContact CE-CG2 3.91Å; M170-I224 HydrophobicContact SD-CD1 3.72Å
171	V	85	Confident	89.8	Confident	49 Å²	49	43.4 Å²	43.4	30%	0.297	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	-173.7	68.9	0	0	0	0	113.2	A167	A167-V171 PolarHBondContact O-N 3.25Å
172	D	82.9	Confident	88.8	Confident	68 Å²	68	38.9 Å²	38.9	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21.3	176.1	-75.9	-53.7	0	0	0	113	Y119 R123 K145 M170	Y119-D172 PolarHBondContact OH-OD1 3.14Å; Y119-D172 VanDerWaalsContact OH-OD1 3.12Å; R123-D172 IonicContact CZ-OD2 3.16Å; R123-D172 IonicContact NH1-OD1 3.4Å; R123-D172 PolarHBondContact NH1-OD1 2.87Å; R123-D172 IonicContact NH1-OD2 2.65Å; R123-D172 PolarHBondContact NH1-OD2 3.13Å; R123-D172 IonicContact NH2-OD2 3.4Å; K145-D172 WeakPolarHBondContact CE-O 3.24Å; K145-D172 PolarHBondContact NZ-O 3.15Å; M170-D172 PolarHBondContact O-N 3.38Å; M170-D172 VanDerWaalsContact O-N 3.11Å
173	D	89.4	Confident	88	Confident	32 Å²	32	37.7 Å²	37.7	17%	0.171	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-41.2	-171.6	-57.5	-10.8	0	0	0	111.5	M170 F241 Y242	M170-D173 HydrophobicContact CB-CB 4.34Å; M170-D173 HydrophobicContact CE-CB 4.06Å; M170-D173 PolarHBondContact O-N 3.02Å; D173-F241 HydrophobicContact CB-CE2 3.75Å; D173-F241 HydrophobicContact CB-CZ 3.73Å; D173-F241 WeakPolarHBondContact OD1-CZ 3.38Å; D173-Y242 VanDerWaalsContact C-OH 3.26Å; D173-Y242 PolarHBondContact O-OH 2.85Å
174	A	93.9	Very high	86.9	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.025	22%	0.219	C	C	.	.			trans	-144.3	158.4	-172.2	0	0	0	0	0	112.1	P146 V148 M170 F176 I224	P146-A174 HydrophobicContact CG-CB 3.96Å; P146-A174 WeakPolarHBondContact O-CA 3.1Å; P146-A174 WeakPolarHBondContact O-CB 3.37Å; V148-A174 HydrophobicContact CG2-CB 3.98Å; M170-A174 PolarHBondContact O-N 3.18Å; M170-A174 VanDerWaalsContact O-N 3.12Å; A174-F176 HydrophobicContact CB-CD2 4.46Å; A174-F176 HydrophobicContact CB-CE2 3.75Å; A174-F176 HydrophobicContact CB-CZ 4.05Å; A174-F176 WeakPolarHBondContact O-CD2 3.1Å; A174-F176 WeakPolarHBondContact O-CE2 3.39Å; A174-I224 HydrophobicContact CB-CG2 4.47Å
175	V	93.3	Very high	85.4	Confident	42 Å²	42	44.3 Å²	44.3	26%	0.255	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.1	169.7	177.1	0	0	0	0	108.5	P146 T147 V148	P146-V175 PolarHBondContact O-N 3.28Å; T147-V175 CarbonylContact C-O 3.51Å; T147-V175 VanDerWaalsContact CA-O 3.24Å; T147-V175 WeakPolarHBondContact CA-O 3.41Å; T147-V175 HydrophobicContact CG2-CB 4.19Å; T147-V175 HydrophobicContact CG2-CG1 4.1Å; V148-V175 PolarHBondContact N-O 3.31Å
176	F	94.9	Very high	83.4	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.1	179.6	-68.2	-98.3	0	0	0	111	V127 S128 K129 V148 F163 L166 A167 M170 A174 I224	V127-F176 WeakPolarHBondContact O-CB 3.41Å; S128-F176 VanDerWaalsContact CA-O 3.27Å; S128-F176 WeakPolarHBondContact CA-O 3.45Å; S128-F176 PolarHBondContact OG-O 3.46Å; K129-F176 PolarHBondContact N-O 3.17Å; V148-F176 HydrophobicContact CB-CD1 3.76Å; V148-F176 HydrophobicContact CB-CE1 3.74Å; V148-F176 HydrophobicContact CB-CG 4.49Å; V148-F176 HydrophobicContact CB-CZ 4.47Å; V148-F176 HydrophobicContact CG1-CD1 4.29Å; V148-F176 HydrophobicContact CG1-CE1 4.13Å; V148-F176 HydrophobicContact CG2-CD1 4.27Å; V148-F176 HydrophobicContact CG2-CE1 3.83Å; V148-F176 HydrophobicContact CG2-CZ 4.1Å; V148-F176 CarbonylContact O-C 3.5Å; V148-F176 WeakPolarHBondContact O-CA 3.47Å; F163-F176 HydrophobicContact CE1-CB 4.37Å; F163-F176 HydrophobicContact CE1-CD1 4.41Å; F163-F176 AromaticContact CE2-CD1 3.78Å; F163-F176 HydrophobicContact CE2-CD1 3.78Å; F163-F176 HydrophobicContact CE2-CE1 4.36Å; F163-F176 HydrophobicContact CZ-CB 4.17Å; F163-F176 AromaticContact CZ-CD1 3.69Å; F163-F176 HydrophobicContact CZ-CD1 3.69Å; F163-F176 HydrophobicContact CZ-CG 4.44Å; L166-F176 HydrophobicContact CD2-CE1 4.15Å; L166-F176 HydrophobicContact CG-CE1 4.18Å; A167-F176 HydrophobicContact CB-CB 3.6Å; A167-F176 HydrophobicContact CB-CD1 3.61Å; A167-F176 HydrophobicContact CB-CD2 3.8Å; A167-F176 HydrophobicContact CB-CE1 4.25Å; A167-F176 HydrophobicContact CB-CE2 4.41Å; A167-F176 HydrophobicContact CB-CG 3.37Å; M170-F176 HydrophobicContact CB-CE2 3.66Å; M170-F176 HydrophobicContact CB-CZ 3.57Å; M170-F176 HydrophobicContact CG-CZ 4.39Å; M170-F176 HydrophobicContact SD-CZ 4.13Å; A174-F176 HydrophobicContact CB-CD2 4.46Å; A174-F176 HydrophobicContact CB-CE2 3.75Å; A174-F176 HydrophobicContact CB-CZ 4.05Å; A174-F176 WeakPolarHBondContact O-CD2 3.1Å; A174-F176 WeakPolarHBondContact O-CE2 3.39Å; F176-I224 HydrophobicContact CE1-CD1 4.22Å; F176-I224 HydrophobicContact CZ-CD1 4.28Å
177	C	95	Very high	81.5	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.9	176.9	-62	0	0	0	0	110.2	S128 K129 V131 V148 F149 A150 F163	S128-C177 VanDerWaalsContact OG-CA 3.28Å; S128-C177 WeakPolarHBondContact OG-CA 3.32Å; S128-C177 PolarHBondContact OG-N 3.26Å; K129-C177 CarbonylContact O-C 3.37Å; K129-C177 WeakPolarHBondContact O-CA 3.48Å; K129-C177 WeakPolarHBondContact O-CB 3.5Å; V131-C177 HydrophobicContact CG2-CB 4.14Å; V148-C177 PolarHBondContact O-N 3.13Å; F149-C177 CarbonylContact C-O 3.49Å; F149-C177 VanDerWaalsContact CA-O 3.27Å; F149-C177 WeakPolarHBondContact CA-O 2.96Å; F149-C177 HydrophobicContact CD1-CB 3.62Å; F149-C177 HydrophobicContact CD2-CB 4.08Å; F149-C177 HydrophobicContact CE1-CB 3.3Å; F149-C177 HydrophobicContact CE2-CB 3.8Å; F149-C177 HydrophobicContact CG-CB 4.02Å; F149-C177 HydrophobicContact CZ-CB 3.41Å; F149-C177 VanDerWaalsContact CZ-CB 3.41Å; A150-C177 PolarHBondContact N-O 3.03Å; F163-C177 WeakPolarHBondContact CE1-O 2.91Å; F163-C177 WeakPolarHBondContact CZ-O 3.43Å
178	H	93.6	Very high	79.9	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.06	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.4	174.9	62.5	-78.9	0	0	0	111	S128 K129 E130 V131 A150 I160 F163 M164 H180	S128-H178 WeakPolarHBondContact CB-ND1 3.4Å; S128-H178 PolarHBondContact O-CE1 3.03Å; S128-H178 PolarHBondContact OG-N 3.44Å; S128-H178 PolarHBondContact OG-ND1 3.43Å; K129-H178 PolarHBondContact O-N 3.18Å; E130-H178 CarbonylContact C-O 3.45Å; E130-H178 WeakPolarHBondContact CA-O 3.2Å; V131-H178 PolarHBondContact N-O 3.4Å; A150-H178 HydrophobicContact CB-CB 4.28Å; A150-H178 CarbonylContact O-C 3.58Å; A150-H178 WeakPolarHBondContact O-CA 3.31Å; I160-H178 HydrophobicContact CD1-CB 3.98Å; F163-H178 HydrophobicContact CD1-CB 4.5Å; F163-H178 HydrophobicContact CE1-CB 4.17Å; M164-H178 VanDerWaalsContact CE-CE1 3.47Å; M164-H178 WeakPolarHBondContact CE-CE1 3.45Å; H178-H180 AromaticContact CD2-CE1 3.67Å; H178-H180 AromaticContact CD2-NE2 3.57Å; H178-H180 AromaticContact NE2-NE2 3.74Å
179	S	91.4	Very high	79.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	173.1	172.3	0	0	0	0	109.3	V131 A150 V152 N181 L183	V131-S179 WeakPolarHBondContact O-CA 3.47Å; V131-S179 WeakPolarHBondContact O-CB 3.27Å; V131-S179 PolarHBondContact O-OG 2.98Å; A150-S179 PolarHBondContact O-N 2.02Å; V152-S179 WeakPolarHBondContact CG2-O 3.5Å; V152-S179 PolarHBondContact N-O 2.91Å; S179-N181 VanDerWaalsContact C-N 3.32Å; S179-N181 PolarHBondContact OG-N 3.44Å; S179-N181 PolarHBondContact OG-O 3.1Å; S179-L183 WeakPolarHBondContact OG-CD1 3.42Å; S179-L183 WeakPolarHBondContact OG-CG 3.43Å
180	H	84.3	Confident	79.1	Confident	42 Å²	42	50.2 Å²	50.2	19%	0.194	29%	0.286	C	S	.	.	S	Bend	trans	-89.2	-1.2	170.2	-60.7	-48.4	0	0	0	113.2	E130 V152 S155 H178	E130-H180 IonicContact OE1-CD2 3.04Å; E130-H180 PolarHBondContact OE1-CD2 3.47Å; V152-H180 WeakPolarHBondContact CG2-ND1 3.14Å; V152-H180 CarbonylContact O-C 3.56Å; V152-H180 WeakPolarHBondContact O-CA 3.05Å; S155-H180 VanDerWaalsContact CA-CE1 3.42Å; S155-H180 WeakPolarHBondContact CA-CE1 3.4Å; H178-H180 AromaticContact CD2-CE1 3.67Å; H178-H180 AromaticContact CD2-NE2 3.57Å; H178-H180 AromaticContact NE2-NE2 3.74Å
181	N	71.1	Confident	79	Confident	87 Å²	87	51.3 Å²	51.3	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-106.1	138.6	174.2	-63.7	-25.5	0	0	0	109.1	S179 L183	S179-N181 VanDerWaalsContact C-N 3.32Å; S179-N181 PolarHBondContact OG-N 3.44Å; S179-N181 PolarHBondContact OG-O 3.1Å; N181-L183 HydrophobicContact CB-CD2 3.71Å; N181-L183 HydrophobicContact CB-CG 4.34Å; N181-L183 PolarHBondContact O-N 2.96Å
182	N	66.4	Low	79.4	Confident	76 Å²	76	49.2 Å²	49.2	41%	0.406	28%	0.278	S	S	.	.			trans	-68.6	79.9	163.7	-77.5	-8.6	0	0	0	108.5	F184	N182-F184 PolarHBondContact O-N 3Å
183	L	73.4	Confident	79.9	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.147	27%	0.265	C	S	.	.			trans	-62.9	-30.7	-174.8	-64.4	-178.7	0	0	0	112.5	V131 S132 V134 V137 F151 S179 N181	V131-L183 HydrophobicContact CG1-CD1 4.3Å; S132-L183 VanDerWaalsContact C-CD2 3.44Å; S132-L183 WeakPolarHBondContact O-CD2 3.38Å; V134-L183 HydrophobicContact CG2-CB 3.9Å; V134-L183 WeakPolarHBondContact CG2-O 3.48Å; V137-L183 HydrophobicContact CG2-CD1 3.84Å; F151-L183 HydrophobicContact CE1-CD1 4.16Å; S179-L183 WeakPolarHBondContact OG-CD1 3.42Å; S179-L183 WeakPolarHBondContact OG-CG 3.43Å; N181-L183 HydrophobicContact CB-CD2 3.71Å; N181-L183 HydrophobicContact CB-CG 4.34Å; N181-L183 PolarHBondContact O-N 2.96Å
184	F	69.6	Low	80.3	Confident	57 Å²	57	45.6 Å²	45.6	25%	0.25	26%	0.257	C	S	.	.	S	Bend	trans	-101.4	134.6	176.5	-56.1	-76	0	0	0	108.8	V134 V137 F151 N182 T186 R193	V134-F184 HydrophobicContact CG1-CE1 3.77Å; V134-F184 HydrophobicContact CG1-CZ 4.34Å; V134-F184 HydrophobicContact CG2-CD1 4.42Å; V134-F184 HydrophobicContact CG2-CE1 4.24Å; V137-F184 HydrophobicContact CG1-CZ 4.41Å; V137-F184 HydrophobicContact CG2-CE2 4.45Å; V137-F184 HydrophobicContact CG2-CZ 4.25Å; F151-F184 HydrophobicContact CD1-CD2 4.4Å; F151-F184 HydrophobicContact CD1-CE2 4.35Å; F151-F184 HydrophobicContact CE1-CD2 4.06Å; F151-F184 AromaticContact CE1-CE2 3.58Å; F151-F184 HydrophobicContact CE1-CE2 3.58Å; F151-F184 HydrophobicContact CE2-CE2 4.25Å; F151-F184 HydrophobicContact CZ-CD2 4.19Å; F151-F184 AromaticContact CZ-CE2 3.53Å; F151-F184 HydrophobicContact CZ-CE2 3.53Å; N182-F184 PolarHBondContact O-N 3Å; F184-T186 PolarHBondContact O-N 3.49Å; F184-T186 VanDerWaalsContact O-N 3.11Å; F184-R193 VanDerWaalsContact CD2-NH1 3.3Å; F184-R193 VanDerWaalsContact CE2-NH1 3.29Å
185	V	59.8	Low	80.5	Confident	140 Å²	140	46 Å²	46	85%	0.848	26%	0.258	S	S	*	.	S	Bend	trans	-40.5	118.6	176.1	177.8	0	0	0	0	109.3
186	T	49	Very low	80.7	Confident	111 Å²	111	44.3 Å²	44.3	68%	0.681	25%	0.248	S	C	*	.			trans	-0.2	122.2	-179.5	43.5	0	0	0	0	116.1	F184	F184-T186 PolarHBondContact O-N 3.49Å; F184-T186 VanDerWaalsContact O-N 3.11Å
187	P	53.7	Low	80.8	Confident	63 Å²	63	44 Å²	44	41%	0.409	25%	0.246	S	C	.	.				-106.5	149.1	100	29.8	-29.8	0	0	0	109.2	D189	P187-D189 PolarHBondContact O-N 2.82Å
188	S	60.3	Low	80.8	Confident	85 Å²	85	47.5 Å²	47.5	59%	0.594	26%	0.262	S	S	*	.	S	Bend	trans	-64.1	12.8	-176.8	49	0	0	0	0	114.6	K153	K153-S188 WeakPolarHBondContact CE-O 3.49Å; K153-S188 PolarHBondContact NZ-O 2.83Å
189	D	76.7	Confident	80.7	Confident	98 Å²	98	52.5 Å²	52.5	52%	0.524	28%	0.28	S	S	.	.	S	Bend	trans	-139.8	158.4	-168.9	-66.9	-46.7	0	0	0	113	K153 P187	K153-D189 IonicContact NZ-OD1 3.75Å; K153-D189 PolarHBondContact NZ-OD1 3.22Å; P187-D189 PolarHBondContact O-N 2.82Å
190	N	85.8	Confident	81	Confident	49 Å²	49	52.6 Å²	52.6	26%	0.262	28%	0.28	S	S	.	.			trans	-61.5	148	174.2	-59.3	-29.5	0	0	0	110.5	F151 V152 K153 D157 L159	F151-N190 CarbonylContact O-C 3.52Å; F151-N190 VanDerWaalsContact O-CA 3.29Å; F151-N190 WeakPolarHBondContact O-CA 3.14Å; V152-N190 WeakPolarHBondContact CA-OD1 3.44Å; K153-N190 PolarHBondContact N-OD1 2.84Å; D157-N190 PolarHBondContact OD1-ND2 3.37Å; D157-N190 VanDerWaalsContact OD1-ND2 3.13Å; D157-N190 PolarHBondContact OD2-ND2 3.25Å; L159-N190 HydrophobicContact CD2-CB 3.67Å
191	E	89.2	Confident	81.5	Confident	25 Å²	25	53.9 Å²	53.9	12%	0.117	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135	-177.3	-170.2	168.1	87.4	0	0	111.8	F151 R193 V210 K212	F151-E191 HydrophobicContact CB-CB 4.5Å; F151-E191 PolarHBondContact N-O 3.28Å; F151-E191 PolarHBondContact O-N 3.04Å; E191-R193 HydrophobicContact CG-CG 4.31Å; E191-R193 IonicContact OE1-CZ 3.13Å; E191-R193 IonicContact OE1-NE 2.67Å; E191-R193 PolarHBondContact OE1-NE 2.94Å; E191-R193 IonicContact OE1-NH2 2.75Å; E191-R193 PolarHBondContact OE1-NH2 3.4Å; E191-V210 HydrophobicContact CG-CG1 3.55Å; E191-V210 WeakPolarHBondContact OE2-CG1 3.45Å; E191-K212 IonicContact OE2-NZ 3.16Å
192	L	93.2	Very high	82.7	Confident	6 Å²	6	51 Å²	51	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132	167	-57.4	-179.8	0	0	0	109.7	F149 A150 L159 F163 Y211 L215 I220 W223	F149-L192 CarbonylContact O-C 3.5Å; F149-L192 VanDerWaalsContact O-CA 3.29Å; F149-L192 WeakPolarHBondContact O-CA 3.48Å; A150-L192 HydrophobicContact CB-CD2 3.54Å; L159-L192 HydrophobicContact CD1-CD1 4.39Å; L159-L192 HydrophobicContact CD1-CD2 4.35Å; L159-L192 HydrophobicContact CD2-CD2 4.17Å; F163-L192 HydrophobicContact CD2-CD2 3.91Å; F163-L192 HydrophobicContact CE2-CD2 4.18Å; L192-Y211 HydrophobicContact CD1-CD1 4.13Å; L192-Y211 PolarHBondContact O-N 3.39Å; L192-L215 HydrophobicContact CD1-CD2 4.41Å; L192-I220 HydrophobicContact CD1-CD1 3.88Å; L192-I220 HydrophobicContact CD1-CG1 4.32Å; L192-I220 HydrophobicContact CD1-CG2 4.25Å; L192-W223 HydrophobicContact CB-CH2 4.4Å; L192-W223 HydrophobicContact CB-CZ3 4.45Å
193	R	94.7	Very high	84.1	Confident	23 Å²	23	55.7 Å²	55.7	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	172.8	-64	-172.2	-176.7	173	1.8	110.9	V148 F149 F151 F184 E191 Y195 F208 A209 V210	V148-R193 CarbonylContact C-O 3.57Å; V148-R193 VanDerWaalsContact CA-O 3.28Å; V148-R193 WeakPolarHBondContact CA-O 3.31Å; V148-R193 WeakPolarHBondContact CG1-O 3.39Å; F149-R193 HydrophobicContact CB-CB 4.46Å; F149-R193 PolarHBondContact N-O 3.34Å; F149-R193 PolarHBondContact O-N 2.84Å; F151-R193 HydrophobicContact CD2-CG 4.28Å; F151-R193 HydrophobicContact CE2-CB 4.15Å; F151-R193 HydrophobicContact CE2-CG 3.85Å; F184-R193 VanDerWaalsContact CD2-NH1 3.3Å; F184-R193 VanDerWaalsContact CE2-NH1 3.29Å; E191-R193 HydrophobicContact CG-CG 4.31Å; E191-R193 IonicContact OE1-CZ 3.13Å; E191-R193 IonicContact OE1-NE 2.67Å; E191-R193 PolarHBondContact OE1-NE 2.94Å; E191-R193 IonicContact OE1-NH2 2.75Å; E191-R193 PolarHBondContact OE1-NH2 3.4Å; R193-Y195 HydrophobicContact CB-CD2 4.05Å; R193-Y195 HydrophobicContact CB-CE2 3.6Å; R193-Y195 WeakPolarHBondContact CD-OH 3.37Å; R193-Y195 HydrophobicContact CG-CE2 4.34Å; R193-Y195 PolarHBondContact NH1-OH 2.82Å; R193-Y195 VanDerWaalsContact NH1-OH 3.1Å; R193-F208 HydrophobicContact CB-CD2 4.34Å; R193-F208 HydrophobicContact CG-CD2 4Å; R193-F208 HydrophobicContact CG-CE2 4.34Å; R193-A209 VanDerWaalsContact CA-O 3.29Å; R193-A209 WeakPolarHBondContact CA-O 3.32Å; R193-V210 HydrophobicContact CG-CG2 4.32Å
194	V	97.6	Very high	85.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115	165.5	61.3	0	0	0	0	107.6	P146 V148 F208 A209 W223 H227	P146-V194 HydrophobicContact CB-CG2 3.8Å; V148-V194 HydrophobicContact CG2-CG2 4.23Å; V194-F208 CarbonylContact O-C 3.51Å; V194-F208 WeakPolarHBondContact O-CA 3.41Å; V194-F208 VanDerWaalsContact O-CB 3.29Å; V194-F208 WeakPolarHBondContact O-CB 3.46Å; V194-A209 HydrophobicContact CG1-CB 3.97Å; V194-A209 PolarHBondContact N-O 3.03Å; V194-A209 PolarHBondContact O-N 3.37Å; V194-W223 HydrophobicContact CB-CH2 3.7Å; V194-W223 HydrophobicContact CB-CZ2 4.09Å; V194-W223 HydrophobicContact CB-CZ3 4.05Å; V194-W223 HydrophobicContact CG1-CD2 4.45Å; V194-W223 HydrophobicContact CG1-CH2 3.6Å; V194-W223 HydrophobicContact CG1-CZ2 3.44Å; V194-W223 VanDerWaalsContact CG1-CZ2 3.44Å; V194-W223 HydrophobicContact CG1-CZ3 4.16Å; V194-W223 VanDerWaalsContact N-CH2 3.34Å; V194-H227 HydrophobicContact CG1-CB 3.64Å
195	Y	97.8	Very high	86.4	Confident	13 Å²	13	54.9 Å²	54.9	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140	177.9	-73.1	-97.3	0	0	0	110	V137 L141 P146 T147 F149 F151 R193 D207 F208	V137-Y195 HydrophobicContact CG1-CE1 4.36Å; V137-Y195 HydrophobicContact CG1-CE2 4.27Å; L141-Y195 HydrophobicContact CD1-CD1 4.15Å; L141-Y195 HydrophobicContact CD2-CD1 4.06Å; L141-Y195 HydrophobicContact CD2-CD2 4.25Å; L141-Y195 HydrophobicContact CD2-CG 3.7Å; P146-Y195 VanDerWaalsContact CA-O 3.3Å; P146-Y195 WeakPolarHBondContact CA-O 3.45Å; T147-Y195 PolarHBondContact N-O 2.93Å; T147-Y195 PolarHBondContact O-N 2.91Å; F149-Y195 HydrophobicContact CB-CE2 4.2Å; F149-Y195 AromaticContact CD2-CD2 3.73Å; F149-Y195 HydrophobicContact CD2-CD2 3.73Å; F149-Y195 AromaticContact CD2-CE2 3.79Å; F149-Y195 HydrophobicContact CD2-CE2 3.79Å; F149-Y195 HydrophobicContact CE2-CD2 4.42Å; F149-Y195 HydrophobicContact CG-CE2 4.23Å; F151-Y195 HydrophobicContact CE2-CE2 4.47Å; F151-Y195 HydrophobicContact CZ-CE2 4.46Å; R193-Y195 HydrophobicContact CB-CD2 4.05Å; R193-Y195 HydrophobicContact CB-CE2 3.6Å; R193-Y195 WeakPolarHBondContact CD-OH 3.37Å; R193-Y195 HydrophobicContact CG-CE2 4.34Å; R193-Y195 PolarHBondContact NH1-OH 2.82Å; R193-Y195 VanDerWaalsContact NH1-OH 3.1Å; Y195-D207 WeakPolarHBondContact CA-O 3.38Å; Y195-F208 HydrophobicContact CD1-CB 3.65Å; Y195-F208 HydrophobicContact CD1-CD1 4.06Å; Y195-F208 HydrophobicContact CD1-CG 4.19Å; Y195-F208 HydrophobicContact CD2-CB 4.22Å; Y195-F208 HydrophobicContact CE1-CB 3.85Å; Y195-F208 AromaticContact CE1-CD1 3.53Å; Y195-F208 HydrophobicContact CE1-CD1 3.53Å; Y195-F208 HydrophobicContact CE1-CE1 4.33Å; Y195-F208 AromaticContact CE1-CG 3.87Å; Y195-F208 HydrophobicContact CE1-CG 3.87Å; Y195-F208 HydrophobicContact CE2-CB 4.4Å; Y195-F208 HydrophobicContact CG-CB 3.84Å
196	L	97.9	Very high	88.1	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.031	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.7	145.6	173.2	-63	-177.9	0	0	0	110.8	R201 E205 D206 D207 H227 G230	L196-R201 HydrophobicContact CB-CG 4.04Å; L196-E205 HydrophobicContact CD1-CG 4.04Å; L196-D206 WeakPolarHBondContact CD1-O 3.45Å; L196-D207 PolarHBondContact N-O 3.5Å; L196-H227 WeakPolarHBondContact CD2-O 3.29Å; L196-G230 VanDerWaalsContact CD2-CA 3.48Å
197	P	96.2	Very high	90.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-51.9	143.7	167	-16	20.8	0	0	0	111.2	S142 D143 R199 L200 R201 G228	S142-P197 CarbonylContact O-C 3.6Å; S142-P197 WeakPolarHBondContact O-CA 3.44Å; D143-P197 WeakPolarHBondContact O-CB 3.25Å; P197-R199 PolarHBondContact O-N 3.04Å; P197-L200 HydrophobicContact CB-CD1 4.48Å; P197-L200 HydrophobicContact CB-CG 4.33Å; P197-L200 HydrophobicContact CG-CD1 3.76Å; P197-L200 HydrophobicContact CG-CG 4.14Å; P197-L200 PolarHBondContact O-N 3.32Å; P197-R201 PolarHBondContact O-N 2.81Å; P197-G228 WeakPolarHBondContact CD-O 3.47Å
198	K	94.8	Very high	92.4	Very high	75 Å²	75	52.2 Å²	52.2	33%	0.326	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.3	-178.1	-69	176.8	174.9	163.1	0	112.7	E138 L141 S142 D143 L200	E138-K198 VanDerWaalsContact O-CE 3.3Å; E138-K198 WeakPolarHBondContact O-CE 3.48Å; E138-K198 PolarHBondContact O-NZ 3.11Å; L141-K198 HydrophobicContact CB-CG 4.09Å; L141-K198 WeakPolarHBondContact O-CE 3.35Å; L141-K198 PolarHBondContact O-NZ 3.16Å; L141-K198 VanDerWaalsContact O-NZ 3.13Å; S142-K198 PolarHBondContact O-N 3.04Å; D143-K198 WeakPolarHBondContact OD1-CD 3.36Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 3.28Å
199	R	92.7	Very high	94.1	Very high	117 Å²	117	49.3 Å²	49.3	44%	0.442	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.6	179.2	-65.8	177.8	179.6	-152.9	-1.6	114.1	D143 P197 Y234 D258	D143-R199 HydrophobicContact CB-CG 4.39Å; D143-R199 VanDerWaalsContact O-CB 3.31Å; D143-R199 WeakPolarHBondContact O-CB 3.32Å; D143-R199 WeakPolarHBondContact O-CD 3.11Å; D143-R199 WeakPolarHBondContact O-CG 3.49Å; D143-R199 PolarHBondContact O-N 3.25Å; P197-R199 PolarHBondContact O-N 3.04Å; R199-Y234 HydrophobicContact CB-CE2 4.2Å; R199-D258 IonicContact NH1-OD1 3.84Å
200	L	95.9	Very high	95	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-17.8	-180	-66.1	-173.7	0	0	0	113.6	P197 K198 T202 Q229 Y234 R268	P197-L200 HydrophobicContact CB-CD1 4.48Å; P197-L200 HydrophobicContact CB-CG 4.33Å; P197-L200 HydrophobicContact CG-CD1 3.76Å; P197-L200 HydrophobicContact CG-CG 4.14Å; P197-L200 PolarHBondContact O-N 3.32Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 3.28Å; L200-T202 WeakPolarHBondContact O-CG2 3.41Å; L200-T202 PolarHBondContact O-N 3.16Å; L200-Q229 WeakPolarHBondContact CD1-O 3.25Å; L200-Y234 HydrophobicContact CD2-CD2 3.31Å; L200-Y234 HydrophobicContact CD2-CE2 3.44Å; L200-Y234 VanDerWaalsContact CD2-CE2 3.44Å; L200-Y234 HydrophobicContact CD2-CG 3.86Å; L200-Y234 HydrophobicContact CG-CD2 4.27Å; L200-Y234 HydrophobicContact CG-CE2 4.47Å; L200-R268 PolarHBondContact O-NH1 3.13Å; L200-R268 PolarHBondContact O-NH2 3.3Å
201	R	95.9	Very high	95.4	Very high	69 Å²	69	45.4 Å²	45.4	26%	0.26	21%	0.211	S	C	.	.			trans	-61.9	133.7	-177.4	-69.5	179.6	65.3	175.8	5.4	112.8	E138 L196 P197 D207	E138-R201 IonicContact OE1-NH1 2.63Å; E138-R201 PolarHBondContact OE1-NH1 2.85Å; E138-R201 IonicContact OE2-CZ 2.77Å; E138-R201 IonicContact OE2-NH1 3.72Å; E138-R201 PolarHBondContact OE2-NH1 3.05Å; E138-R201 IonicContact OE2-NH2 2.67Å; L196-R201 HydrophobicContact CB-CG 4.04Å; P197-R201 PolarHBondContact O-N 2.81Å; R201-D207 WeakPolarHBondContact CB-OD1 3.18Å; R201-D207 WeakPolarHBondContact CG-OD1 3.48Å; R201-D207 VanDerWaalsContact CZ-CG 3.47Å; R201-D207 IonicContact CZ-OD1 2.71Å; R201-D207 IonicContact CZ-OD2 2.79Å; R201-D207 IonicContact NE-OD1 3.33Å; R201-D207 PolarHBondContact NE-OD1 2.79Å; R201-D207 IonicContact NE-OD2 3.77Å; R201-D207 PolarHBondContact NE-OD2 2.77Å; R201-D207 IonicContact NH2-OD1 2.81Å; R201-D207 IonicContact NH2-OD2 3.69Å; R201-D207 PolarHBondContact NH2-OD2 3.47Å
202	T	95.6	Very high	95.6	Very high	26 Å²	26	52.3 Å²	52.3	16%	0.16	24%	0.241	C	C	.	.			trans	-148.8	174.8	178.9	77.2	0	0	0	0	111.1	L200 F204 L272	L200-T202 WeakPolarHBondContact O-CG2 3.41Å; L200-T202 PolarHBondContact O-N 3.16Å; T202-F204 VanDerWaalsContact C-N 3.27Å; T202-F204 PolarHBondContact O-N 3.48Å; T202-F204 PolarHBondContact OG1-N 2.68Å; T202-L272 HydrophobicContact CG2-CD1 3.72Å
203	K	95.4	Very high	95.5	Very high	175 Å²	175	54.1 Å²	54.1	76%	0.761	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	2.7	171	67.8	177	-177.4	178.5	0	114.5	K276	K203-K276 PolarHBondContact O-NZ 3.28Å
204	F	95.7	Very high	95.3	Very high	37 Å²	37	59.4 Å²	59.4	16%	0.162	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-14.8	-175.4	-62.8	-75.7	0	0	0	113	T202 N269 L272 K273 K276	T202-F204 VanDerWaalsContact C-N 3.27Å; T202-F204 PolarHBondContact O-N 3.48Å; T202-F204 PolarHBondContact OG1-N 2.68Å; F204-N269 HydrophobicContact CD2-CB 4.44Å; F204-N269 HydrophobicContact CE2-CB 3.74Å; F204-N269 HydrophobicContact CZ-CB 4.37Å; F204-L272 HydrophobicContact CB-CB 3.9Å; F204-L272 HydrophobicContact CB-CD1 4.47Å; F204-L272 HydrophobicContact CD2-CB 4.15Å; F204-L272 HydrophobicContact CD2-CD1 4.23Å; F204-L272 HydrophobicContact CG-CB 4.06Å; F204-K273 HydrophobicContact CD1-CB 4.25Å; F204-K273 HydrophobicContact CE1-CB 3.91Å; F204-K273 HydrophobicContact CE1-CD 4.48Å; F204-K273 HydrophobicContact CE1-CG 4.38Å; F204-K276 HydrophobicContact CB-CD 4.32Å; F204-K276 HydrophobicContact CD1-CD 3.97Å
205	E	95.7	Very high	94.7	Very high	31 Å²	31	64.1 Å²	64.1	15%	0.145	31%	0.311	C	S	.	.	S	Bend	trans	-147.9	165.6	-178.7	60.5	-172.2	136.8	0	0	109.5	L196 G230 L231 R268 L272	L196-E205 HydrophobicContact CD1-CG 4.04Å; E205-G230 WeakPolarHBondContact OE2-CA 3.28Å; E205-L231 HydrophobicContact CB-CD1 4.01Å; E205-L231 HydrophobicContact CB-CG 4.28Å; E205-L231 PolarHBondContact OE2-N 2.9Å; E205-R268 IonicContact OE1-NH2 3.41Å; E205-R268 PolarHBondContact OE1-NH2 3Å; E205-L272 WeakPolarHBondContact OE1-CD2 3.47Å
206	D	96.5	Very high	94.3	Very high	139 Å²	139	68.4 Å²	68.4	74%	0.743	33%	0.332	S	S	*	.			trans	-73	147.2	175.3	-64.5	-39.5	0	0	0	110.8	L196 F208	L196-D206 WeakPolarHBondContact CD1-O 3.45Å; D206-F208 PolarHBondContact O-N 2.96Å
207	D	96.4	Very high	93.9	Very high	49 Å²	49	70.3 Å²	70.3	26%	0.262	35%	0.346	S	S	.	.	S	Bend	trans	-71.6	-16.1	-178.4	-69.1	-46.4	0	0	0	113.6	Y195 L196 R201	Y195-D207 WeakPolarHBondContact CA-O 3.38Å; L196-D207 PolarHBondContact N-O 3.5Å; R201-D207 WeakPolarHBondContact CB-OD1 3.18Å; R201-D207 WeakPolarHBondContact CG-OD1 3.48Å; R201-D207 VanDerWaalsContact CZ-CG 3.47Å; R201-D207 IonicContact CZ-OD1 2.71Å; R201-D207 IonicContact CZ-OD2 2.79Å; R201-D207 IonicContact NE-OD1 3.33Å; R201-D207 PolarHBondContact NE-OD1 2.79Å; R201-D207 IonicContact NE-OD2 3.77Å; R201-D207 PolarHBondContact NE-OD2 2.77Å; R201-D207 IonicContact NH2-OD1 2.81Å; R201-D207 IonicContact NH2-OD2 3.69Å; R201-D207 PolarHBondContact NH2-OD2 3.47Å
208	F	96.2	Very high	93.7	Very high	71 Å²	71	75.4 Å²	75.4	31%	0.311	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.8	177.9	64.7	-90.7	0	0	0	111.8	R193 V194 Y195 D206 V210	R193-F208 HydrophobicContact CB-CD2 4.34Å; R193-F208 HydrophobicContact CG-CD2 4Å; R193-F208 HydrophobicContact CG-CE2 4.34Å; V194-F208 CarbonylContact O-C 3.51Å; V194-F208 WeakPolarHBondContact O-CA 3.41Å; V194-F208 VanDerWaalsContact O-CB 3.29Å; V194-F208 WeakPolarHBondContact O-CB 3.46Å; Y195-F208 HydrophobicContact CD1-CB 3.65Å; Y195-F208 HydrophobicContact CD1-CD1 4.06Å; Y195-F208 HydrophobicContact CD1-CG 4.19Å; Y195-F208 HydrophobicContact CD2-CB 4.22Å; Y195-F208 HydrophobicContact CE1-CB 3.85Å; Y195-F208 AromaticContact CE1-CD1 3.53Å; Y195-F208 HydrophobicContact CE1-CD1 3.53Å; Y195-F208 HydrophobicContact CE1-CE1 4.33Å; Y195-F208 AromaticContact CE1-CG 3.87Å; Y195-F208 HydrophobicContact CE1-CG 3.87Å; Y195-F208 HydrophobicContact CE2-CB 4.4Å; Y195-F208 HydrophobicContact CG-CB 3.84Å; D206-F208 PolarHBondContact O-N 2.96Å; F208-V210 HydrophobicContact CD2-CG2 4.09Å; F208-V210 HydrophobicContact CE2-CG2 3.79Å
209	A	96.3	Very high	93.7	Very high	23 Å²	23	74.7 Å²	74.7	19%	0.19	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	150.1	166.6	0	0	0	0	0	110.3	R193 V194 W223 H227	R193-A209 VanDerWaalsContact CA-O 3.29Å; R193-A209 WeakPolarHBondContact CA-O 3.32Å; V194-A209 HydrophobicContact CG1-CB 3.97Å; V194-A209 PolarHBondContact N-O 3.03Å; V194-A209 PolarHBondContact O-N 3.37Å; A209-W223 HydrophobicContact CB-CZ2 4.27Å; A209-W223 WeakPolarHBondContact O-CZ2 3.38Å; A209-H227 HydrophobicContact CB-CB 3.9Å
210	V	94.6	Very high	93.8	Very high	40 Å²	40	69.2 Å²	69.2	24%	0.242	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.1	174.1	-177.5	0	0	0	0	109.6	E191 R193 F208 K212	E191-V210 HydrophobicContact CG-CG1 3.55Å; E191-V210 WeakPolarHBondContact OE2-CG1 3.45Å; R193-V210 HydrophobicContact CG-CG2 4.32Å; F208-V210 HydrophobicContact CD2-CG2 4.09Å; F208-V210 HydrophobicContact CE2-CG2 3.79Å; V210-K212 HydrophobicContact CG1-CD 4.21Å; V210-K212 VanDerWaalsContact CG1-CE 3.45Å; V210-K212 VanDerWaalsContact CG1-NZ 3.34Å
211	Y	94.5	Very high	93.7	Very high	25 Å²	25	71.1 Å²	71.1	10%	0.098	36%	0.361	C	S	.	.			trans	-73.9	132.6	174.7	-169.1	-118.2	0	0	0	110.8	L192 G213 E214 N219 I220 W223	L192-Y211 HydrophobicContact CD1-CD1 4.13Å; L192-Y211 PolarHBondContact O-N 3.39Å; Y211-G213 WeakPolarHBondContact CE1-O 3.49Å; Y211-E214 WeakPolarHBondContact CE1-O 3.26Å; Y211-E214 PolarHBondContact OH-O 3.08Å; Y211-N219 WeakPolarHBondContact OH-CB 3.4Å; Y211-I220 HydrophobicContact CD1-CG1 4.24Å; Y211-I220 HydrophobicContact CE1-CD1 4.46Å; Y211-I220 HydrophobicContact CE1-CG1 3.67Å; Y211-I220 HydrophobicContact CE2-CG1 4.33Å; Y211-W223 HydrophobicContact CD2-CB 3.8Å; Y211-W223 AromaticContact CD2-CD1 3.79Å; Y211-W223 AromaticContact CD2-CD2 3.39Å; Y211-W223 HydrophobicContact CD2-CD2 3.39Å; Y211-W223 AromaticContact CD2-CE2 3.84Å; Y211-W223 AromaticContact CD2-CE3 3.73Å; Y211-W223 HydrophobicContact CD2-CE3 3.73Å; Y211-W223 AromaticContact CD2-CG 3.39Å; Y211-W223 HydrophobicContact CD2-CG 3.39Å; Y211-W223 HydrophobicContact CD2-CZ3 4.42Å; Y211-W223 HydrophobicContact CE2-CB 3.68Å; Y211-W223 HydrophobicContact CE2-CD2 4.19Å; Y211-W223 HydrophobicContact CE2-CE3 4.5Å; Y211-W223 AromaticContact CE2-CG 3.82Å; Y211-W223 HydrophobicContact CE2-CG 3.82Å; Y211-W223 HydrophobicContact CG-CD2 4.13Å; Y211-W223 HydrophobicContact CG-CE3 4.17Å; Y211-W223 HydrophobicContact CG-CZ3 4.44Å
212	K	93.3	Very high	93.7	Very high	170 Å²	170	72 Å²	72	74%	0.739	37%	0.37	S	S	*	.			trans	-127	8	178.7	-59.4	-62.8	178.5	-164.9	0	113.2	E191 V210	E191-K212 IonicContact OE2-NZ 3.16Å; V210-K212 HydrophobicContact CG1-CD 4.21Å; V210-K212 VanDerWaalsContact CG1-CE 3.45Å; V210-K212 VanDerWaalsContact CG1-NZ 3.34Å
213	G	92	Very high	93.7	Very high	44 Å²	44	71.9 Å²	71.9	45%	0.454	37%	0.367	S	S	.	.	S	Bend	trans	-90.9	-175.7	-179.3	0	0	0	0	0	113.7	Y211	Y211-G213 WeakPolarHBondContact CE1-O 3.49Å
214	E	90	Very high	93.7	Very high	135 Å²	135	63.6 Å²	63.6	63%	0.631	33%	0.331	S	S	*	.			trans	-70	147	176.3	-62.8	-178.7	171.8	0	0	112	Y211 E216	Y211-E214 WeakPolarHBondContact CE1-O 3.26Å; Y211-E214 PolarHBondContact OH-O 3.08Å; E214-E216 HydrophobicContact CB-CG 4.32Å; E214-E216 PolarHBondContact O-N 3.09Å
215	L	85.7	Confident	93.7	Very high	98 Å²	98	66.1 Å²	66.1	51%	0.513	34%	0.339	S	S	.	.	S	Bend	trans	-76.6	54	-176.9	-63.9	179.2	0	0	0	113.4	L159 L192	L159-L215 HydrophobicContact CD1-CD1 3.96Å; L159-L215 HydrophobicContact CD1-CD2 3.65Å; L159-L215 HydrophobicContact CD1-CG 4.36Å; L192-L215 HydrophobicContact CD1-CD2 4.41Å
216	E	89.1	Confident	93.6	Very high	103 Å²	103	72.3 Å²	72.3	48%	0.481	37%	0.366	S	S	.	.			trans	-103.9	138.8	175	-58.1	-169.2	144.3	0	0	110.8	E214 N218 N219 I220	E214-E216 HydrophobicContact CB-CG 4.32Å; E214-E216 PolarHBondContact O-N 3.09Å; E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 2.84Å; E216-N219 HydrophobicContact CB-CB 4.31Å; E216-N219 PolarHBondContact O-N 2.85Å; E216-N219 PolarHBondContact OE2-ND2 3.09Å; E216-I220 WeakPolarHBondContact O-CG1 3.41Å; E216-I220 PolarHBondContact O-N 3.11Å; E216-I220 VanDerWaalsContact O-N 3.12Å
217	S	89	Confident	93.6	Very high	47 Å²	47	68.9 Å²	68.9	33%	0.329	35%	0.345	S	S	.	.	H	α-helix	trans	-56.9	-43.5	-174.7	-174.5	0	0	0	0	112.8	I220 K221	S217-I220 PolarHBondContact O-N 3.48Å; S217-K221 VanDerWaalsContact O-CG 3.25Å; S217-K221 WeakPolarHBondContact O-CG 3.44Å; S217-K221 PolarHBondContact O-N 2.9Å
218	N	92.7	Very high	93.6	Very high	108 Å²	108	66.6 Å²	66.6	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-42.1	-178.6	-68.8	-18.5	0	0	0	112.2	E216 I220 K221 D222	E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 2.84Å; N218-I220 VanDerWaalsContact C-N 3.28Å; N218-I220 PolarHBondContact O-N 3.14Å; N218-K221 WeakPolarHBondContact O-CB 3.46Å; N218-K221 PolarHBondContact O-N 3.45Å; N218-K221 VanDerWaalsContact O-N 3.12Å; N218-D222 PolarHBondContact O-N 2.91Å
219	N	94.5	Very high	93.6	Very high	59 Å²	59	63.6 Å²	63.6	32%	0.316	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-37.3	178.6	-60.3	-14.2	0	0	0	111.6	Y211 E216 W223	Y211-N219 WeakPolarHBondContact OH-CB 3.4Å; E216-N219 HydrophobicContact CB-CB 4.31Å; E216-N219 PolarHBondContact O-N 2.85Å; E216-N219 PolarHBondContact OE2-ND2 3.09Å; N219-W223 VanDerWaalsContact O-CB 3.31Å; N219-W223 WeakPolarHBondContact O-CB 3.46Å; N219-W223 PolarHBondContact O-N 3.08Å; N219-W223 VanDerWaalsContact O-N 3.08Å
220	I	94.4	Very high	93.6	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-71.7	-40.3	175.3	-55.9	165.1	0	0	0	110.7	L166 L192 Y211 E216 S217 N218 D222 W223 I224	L166-I220 HydrophobicContact CD2-CB 4Å; L166-I220 HydrophobicContact CD2-CD1 4.46Å; L166-I220 HydrophobicContact CD2-CG2 3.39Å; L192-I220 HydrophobicContact CD1-CD1 3.88Å; L192-I220 HydrophobicContact CD1-CG1 4.32Å; L192-I220 HydrophobicContact CD1-CG2 4.25Å; Y211-I220 HydrophobicContact CD1-CG1 4.24Å; Y211-I220 HydrophobicContact CE1-CD1 4.46Å; Y211-I220 HydrophobicContact CE1-CG1 3.67Å; Y211-I220 HydrophobicContact CE2-CG1 4.33Å; E216-I220 WeakPolarHBondContact O-CG1 3.41Å; E216-I220 PolarHBondContact O-N 3.11Å; E216-I220 VanDerWaalsContact O-N 3.12Å; S217-I220 PolarHBondContact O-N 3.48Å; N218-I220 VanDerWaalsContact C-N 3.28Å; N218-I220 PolarHBondContact O-N 3.14Å; I220-D222 PolarHBondContact O-N 2.71Å; I220-W223 HydrophobicContact CG2-CE3 4.03Å; I220-W223 HydrophobicContact CG2-CZ3 4.36Å; I220-W223 PolarHBondContact O-N 2.73Å; I220-I224 HydrophobicContact CG2-CD1 3.88Å; I220-I224 HydrophobicContact CG2-CG1 4.3Å; I220-I224 VanDerWaalsContact O-CG1 3.27Å; I220-I224 WeakPolarHBondContact O-CG1 3.27Å; I220-I224 PolarHBondContact O-N 3.49Å
221	K	94.9	Very high	93.7	Very high	42 Å²	42	65.1 Å²	65.1	18%	0.183	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-49.4	174.9	-75.6	175.9	-180	-173.3	0	111.7	L166 S169 M170 S217 N218 W223 I224 R225	L166-K221 HydrophobicContact CD1-CD 4.37Å; L166-K221 HydrophobicContact CD1-CG 3.59Å; S169-K221 WeakPolarHBondContact OG-CE 3.5Å; S169-K221 PolarHBondContact OG-NZ 2.66Å; M170-K221 HydrophobicContact CE-CG 4.41Å; M170-K221 HydrophobicContact CG-CG 4.27Å; M170-K221 HydrophobicContact SD-CB 4.28Å; M170-K221 HydrophobicContact SD-CG 3.59Å; M170-K221 VanDerWaalsContact SD-CG 3.59Å; S217-K221 VanDerWaalsContact O-CG 3.25Å; S217-K221 WeakPolarHBondContact O-CG 3.44Å; S217-K221 PolarHBondContact O-N 2.9Å; N218-K221 WeakPolarHBondContact O-CB 3.46Å; N218-K221 PolarHBondContact O-N 3.45Å; N218-K221 VanDerWaalsContact O-N 3.12Å; K221-W223 VanDerWaalsContact C-N 3.32Å; K221-W223 PolarHBondContact O-N 2.78Å; K221-I224 PolarHBondContact O-N 2.69Å; K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.47Å
222	D	94.6	Very high	93.8	Very high	87 Å²	87	64.1 Å²	64.1	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-36	-178.6	-66.5	-19.6	0	0	0	111.4	N218 I220 R225 K226	N218-D222 PolarHBondContact O-N 2.91Å; I220-D222 PolarHBondContact O-N 2.71Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 IonicContact OD1-NH1 2.68Å; D222-R225 PolarHBondContact OD1-NH1 3.03Å; D222-K226 VanDerWaalsContact O-CB 3.28Å; D222-K226 WeakPolarHBondContact O-CB 3.33Å; D222-K226 PolarHBondContact O-N 3.05Å
223	W	96.1	Very high	94	Very high	24 Å²	24	56 Å²	56	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-43.6	172.1	169.3	80.6	0	0	0	113.1	V148 L192 V194 A209 Y211 N219 I220 K221 R225 K226 H227	V148-W223 HydrophobicContact CG1-CZ3 4.45Å; L192-W223 HydrophobicContact CB-CH2 4.4Å; L192-W223 HydrophobicContact CB-CZ3 4.45Å; V194-W223 HydrophobicContact CB-CH2 3.7Å; V194-W223 HydrophobicContact CB-CZ2 4.09Å; V194-W223 HydrophobicContact CB-CZ3 4.05Å; V194-W223 HydrophobicContact CG1-CD2 4.45Å; V194-W223 HydrophobicContact CG1-CH2 3.6Å; V194-W223 HydrophobicContact CG1-CZ2 3.44Å; V194-W223 VanDerWaalsContact CG1-CZ2 3.44Å; V194-W223 HydrophobicContact CG1-CZ3 4.16Å; V194-W223 VanDerWaalsContact N-CH2 3.34Å; A209-W223 HydrophobicContact CB-CZ2 4.27Å; A209-W223 WeakPolarHBondContact O-CZ2 3.38Å; Y211-W223 HydrophobicContact CD2-CB 3.8Å; Y211-W223 AromaticContact CD2-CD1 3.79Å; Y211-W223 AromaticContact CD2-CD2 3.39Å; Y211-W223 HydrophobicContact CD2-CD2 3.39Å; Y211-W223 AromaticContact CD2-CE2 3.84Å; Y211-W223 AromaticContact CD2-CE3 3.73Å; Y211-W223 HydrophobicContact CD2-CE3 3.73Å; Y211-W223 AromaticContact CD2-CG 3.39Å; Y211-W223 HydrophobicContact CD2-CG 3.39Å; Y211-W223 HydrophobicContact CD2-CZ3 4.42Å; Y211-W223 HydrophobicContact CE2-CB 3.68Å; Y211-W223 HydrophobicContact CE2-CD2 4.19Å; Y211-W223 HydrophobicContact CE2-CE3 4.5Å; Y211-W223 AromaticContact CE2-CG 3.82Å; Y211-W223 HydrophobicContact CE2-CG 3.82Å; Y211-W223 HydrophobicContact CG-CD2 4.13Å; Y211-W223 HydrophobicContact CG-CE3 4.17Å; Y211-W223 HydrophobicContact CG-CZ3 4.44Å; N219-W223 VanDerWaalsContact O-CB 3.31Å; N219-W223 WeakPolarHBondContact O-CB 3.46Å; N219-W223 PolarHBondContact O-N 3.08Å; N219-W223 VanDerWaalsContact O-N 3.08Å; I220-W223 HydrophobicContact CG2-CE3 4.03Å; I220-W223 HydrophobicContact CG2-CZ3 4.36Å; I220-W223 PolarHBondContact O-N 2.73Å; K221-W223 VanDerWaalsContact C-N 3.32Å; K221-W223 PolarHBondContact O-N 2.78Å; W223-R225 VanDerWaalsContact C-N 3.33Å; W223-K226 PolarHBondContact O-N 3.13Å; W223-H227 AromaticContact CD1-CE1 3.29Å; W223-H227 AromaticContact CD1-ND1 3.14Å; W223-H227 AromaticContact CG-ND1 3.86Å; W223-H227 AromaticContact NE1-CE1 3.67Å; W223-H227 AromaticContact NE1-CG 3.91Å; W223-H227 AromaticContact NE1-ND1 3.42Å; W223-H227 PolarHBondContact NE1-ND1 3.33Å; W223-H227 PolarHBondContact O-N 3.3Å; W223-H227 PolarHBondContact O-ND1 3.41Å
224	I	96.3	Very high	94.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-45.7	174.1	-69.7	162	0	0	0	109.6	V148 L166 M170 A174 F176 I220 K221 K226 H227 G228	V148-I224 HydrophobicContact CG1-CD1 4.23Å; V148-I224 HydrophobicContact CG1-CG1 4.44Å; V148-I224 HydrophobicContact CG2-CD1 3.8Å; V148-I224 HydrophobicContact CG2-CG1 3.87Å; V148-I224 HydrophobicContact CG2-CG2 4.18Å; L166-I224 HydrophobicContact CD2-CD1 4Å; M170-I224 HydrophobicContact CE-CB 4.24Å; M170-I224 HydrophobicContact CE-CD1 4.28Å; M170-I224 HydrophobicContact CE-CG2 3.91Å; M170-I224 HydrophobicContact SD-CD1 3.72Å; A174-I224 HydrophobicContact CB-CG2 4.47Å; F176-I224 HydrophobicContact CE1-CD1 4.22Å; F176-I224 HydrophobicContact CZ-CD1 4.28Å; I220-I224 HydrophobicContact CG2-CD1 3.88Å; I220-I224 HydrophobicContact CG2-CG1 4.3Å; I220-I224 VanDerWaalsContact O-CG1 3.27Å; I220-I224 WeakPolarHBondContact O-CG1 3.27Å; I220-I224 PolarHBondContact O-N 3.49Å; K221-I224 PolarHBondContact O-N 2.69Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.37Å; I224-H227 PolarHBondContact O-N 3.19Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 2.83Å
225	R	94.7	Very high	94.5	Very high	90 Å²	90	49.4 Å²	49.4	34%	0.34	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-44.6	178	-73.7	172	-179.3	154.7	-8.4	111.7	K221 D222 W223 H227 Y242	K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.47Å; D222-R225 PolarHBondContact O-N 3.43Å; D222-R225 IonicContact OD1-NH1 2.68Å; D222-R225 PolarHBondContact OD1-NH1 3.03Å; W223-R225 VanDerWaalsContact C-N 3.33Å; R225-H227 PolarHBondContact O-N 3.17Å; R225-Y242 HydrophobicContact CB-CD1 4.31Å; R225-Y242 HydrophobicContact CG-CD1 4.38Å; R225-Y242 HydrophobicContact CG-CE1 4.49Å; R225-Y242 WeakPolarHBondContact O-CD1 3.41Å
226	K	94.1	Very high	94.8	Very high	162 Å²	162	46 Å²	46	70%	0.704	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-35.1	-178.8	-178	172.3	178.4	174.5	0	114.1	D222 W223 I224	D222-K226 VanDerWaalsContact O-CB 3.28Å; D222-K226 WeakPolarHBondContact O-CB 3.33Å; D222-K226 PolarHBondContact O-N 3.05Å; W223-K226 PolarHBondContact O-N 3.13Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.37Å
227	H	96	Very high	94.9	Very high	67 Å²	67	45 Å²	45	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-110.8	-15.9	-171.6	-59.7	84	0	0	0	113.9	V194 L196 A209 W223 I224 R225 Q229 G230	V194-H227 HydrophobicContact CG1-CB 3.64Å; L196-H227 WeakPolarHBondContact CD2-O 3.29Å; A209-H227 HydrophobicContact CB-CB 3.9Å; W223-H227 AromaticContact CD1-CE1 3.29Å; W223-H227 AromaticContact CD1-ND1 3.14Å; W223-H227 AromaticContact CG-ND1 3.86Å; W223-H227 AromaticContact NE1-CE1 3.67Å; W223-H227 AromaticContact NE1-CG 3.91Å; W223-H227 AromaticContact NE1-ND1 3.42Å; W223-H227 PolarHBondContact NE1-ND1 3.33Å; W223-H227 PolarHBondContact O-N 3.3Å; W223-H227 PolarHBondContact O-ND1 3.41Å; I224-H227 PolarHBondContact O-N 3.19Å; R225-H227 PolarHBondContact O-N 3.17Å; H227-Q229 PolarHBondContact O-N 2.98Å; H227-G230 PolarHBondContact O-N 3.04Å
228	G	96.4	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.2	-173.2	0	0	0	0	0	115	P146 P197 I224	P146-G228 WeakPolarHBondContact CB-O 3.34Å; P197-G228 WeakPolarHBondContact CD-O 3.47Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 2.83Å
229	Q	96.2	Very high	94.8	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	4.1	179.4	-62.5	-58.3	-35.5	0	0	113.6	L200 H227 G233 Y242 F243	L200-Q229 WeakPolarHBondContact CD1-O 3.25Å; H227-Q229 PolarHBondContact O-N 2.98Å; Q229-G233 VanDerWaalsContact O-CA 3.25Å; Q229-G233 WeakPolarHBondContact O-CA 3.27Å; Q229-G233 PolarHBondContact O-N 3.08Å; Q229-Y242 HydrophobicContact CG-CD1 3.77Å; Q229-Y242 HydrophobicContact CG-CD2 3.9Å; Q229-Y242 HydrophobicContact CG-CE1 4.46Å; Q229-Y242 HydrophobicContact CG-CG 3.49Å; Q229-Y242 VanDerWaalsContact CG-CG 3.49Å; Q229-Y242 VanDerWaalsContact NE2-CE2 3.33Å; Q229-F243 HydrophobicContact CB-CE1 4.41Å; Q229-F243 HydrophobicContact CB-CZ 4.13Å; Q229-F243 HydrophobicContact CG-CE2 4.4Å; Q229-F243 HydrophobicContact CG-CZ 3.99Å
230	G	96.4	Very high	94.8	Very high	23 Å²	23	41.9 Å²	41.9	24%	0.237	22%	0.22	C	C	.	.			trans	63	-162.6	-177.4	0	0	0	0	0	112.9	L196 E205 H227	L196-G230 VanDerWaalsContact CD2-CA 3.48Å; E205-G230 WeakPolarHBondContact OE2-CA 3.28Å; H227-G230 PolarHBondContact O-N 3.04Å
231	L	96.5	Very high	94.7	Very high	72 Å²	72	43.9 Å²	43.9	38%	0.377	23%	0.229	S	C	.	.	S	Bend	trans	-69.4	-33.1	-179.1	-70.1	179.7	0	0	0	112.7	E205 L272 L275 F287	E205-L231 HydrophobicContact CB-CD1 4.01Å; E205-L231 HydrophobicContact CB-CG 4.28Å; E205-L231 PolarHBondContact OE2-N 2.9Å; L231-L272 HydrophobicContact CB-CD2 3.59Å; L231-L272 HydrophobicContact CD1-CD2 4.27Å; L231-L275 HydrophobicContact CB-CD1 4.17Å; L231-L275 HydrophobicContact CD1-CB 4.49Å; L231-F287 WeakPolarHBondContact O-CB 3.25Å
232	V	97.5	Very high	94.7	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	95.8	178.5	-173.9	0	0	0	0	109	R268 V271 L272 L275 F287	V232-R268 HydrophobicContact CB-CG 4.26Å; V232-R268 HydrophobicContact CG1-CG 4.06Å; V232-R268 PolarHBondContact O-NE 2.77Å; V232-R268 PolarHBondContact O-NH2 3.08Å; V232-V271 HydrophobicContact CG2-CB 4.26Å; V232-V271 HydrophobicContact CG2-CG1 3.68Å; V232-L272 HydrophobicContact CB-CD2 4.07Å; V232-L272 HydrophobicContact CB-CG 4.28Å; V232-L272 HydrophobicContact CG2-CD2 3.7Å; V232-L272 HydrophobicContact CG2-CG 3.91Å; V232-L275 HydrophobicContact CG2-CD1 3.76Å; V232-F287 WeakPolarHBondContact CA-O 3.46Å; V232-F287 HydrophobicContact CB-CB 4.47Å; V232-F287 HydrophobicContact CG1-CB 4.45Å; V232-F287 HydrophobicContact CG2-CB 4Å
233	G	96.9	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.4	-178.1	0	0	0	0	0	113.6	Q229 F287 A288 Y289	Q229-G233 VanDerWaalsContact O-CA 3.25Å; Q229-G233 WeakPolarHBondContact O-CA 3.27Å; Q229-G233 PolarHBondContact O-N 3.08Å; G233-F287 PolarHBondContact N-O 2.9Å; G233-A288 CarbonylContact O-C 3.57Å; G233-A288 WeakPolarHBondContact O-CA 3.28Å; G233-Y289 PolarHBondContact O-N 3.32Å
234	Y	95.5	Very high	94.5	Very high	32 Å²	32	43.1 Å²	43.1	13%	0.125	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.4	162.8	-65.4	-49.8	0	0	0	108.4	R199 L200 N239 I257 V264 Y289 F291	R199-Y234 HydrophobicContact CB-CE2 4.2Å; L200-Y234 HydrophobicContact CD2-CD2 3.31Å; L200-Y234 HydrophobicContact CD2-CE2 3.44Å; L200-Y234 VanDerWaalsContact CD2-CE2 3.44Å; L200-Y234 HydrophobicContact CD2-CG 3.86Å; L200-Y234 HydrophobicContact CG-CD2 4.27Å; L200-Y234 HydrophobicContact CG-CE2 4.47Å; Y234-N239 PolarHBondContact O-ND2 3.18Å; Y234-I257 HydrophobicContact CD2-CD1 4.06Å; Y234-I257 HydrophobicContact CE1-CD1 4.3Å; Y234-I257 HydrophobicContact CE2-CD1 3.4Å; Y234-V264 HydrophobicContact CE1-CG1 3.69Å; Y234-Y289 WeakPolarHBondContact CA-O 3.46Å; Y234-Y289 HydrophobicContact CD1-CD1 4.31Å; Y234-Y289 HydrophobicContact CD1-CG 4.31Å; Y234-Y289 HydrophobicContact CE1-CD1 4.4Å; Y234-Y289 HydrophobicContact CE1-CG 4.31Å; Y234-F291 HydrophobicContact CD1-CZ 4.3Å
235	R	96.2	Very high	94.3	Very high	8 Å²	8	51.2 Å²	51.2	3%	0.03	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-98.8	138.8	179.2	-171.1	-176.9	79.4	160.6	20.1	109.8	N239 F243 Y252 A288 Y289 S290 F295 E298	R235-N239 WeakPolarHBondContact CA-OD1 3.41Å; R235-F243 HydrophobicContact CB-CD2 4.05Å; R235-F243 HydrophobicContact CB-CE2 3.62Å; R235-F243 HydrophobicContact CB-CZ 3.9Å; R235-F243 HydrophobicContact CG-CD2 3.54Å; R235-F243 HydrophobicContact CG-CE2 3.59Å; R235-F243 HydrophobicContact CG-CG 4.25Å; R235-F243 HydrophobicContact CG-CZ 4.33Å; R235-Y252 PolarHBondContact NH2-OH 2.77Å; R235-A288 HydrophobicContact CB-CB 3.78Å; R235-Y289 PolarHBondContact N-O 3.48Å; R235-S290 PolarHBondContact NE-OG 2.86Å; R235-S290 VanDerWaalsContact NE-OG 3.15Å; R235-F295 HydrophobicContact CG-CE2 4.46Å; R235-F295 HydrophobicContact CG-CZ 4Å; R235-F295 WeakPolarHBondContact O-CE2 3.38Å; R235-E298 IonicContact CZ-OE2 3.32Å; R235-E298 IonicContact NH2-OE1 2.76Å; R235-E298 IonicContact NH2-OE2 3.5Å; R235-E298 PolarHBondContact NH2-OE2 3.22Å
236	S	93.2	Very high	94.2	Very high	28 Å²	28	48.6 Å²	48.6	20%	0.196	26%	0.263	C	S	.	.			trans	-145.9	163.7	-178.8	68	0	0	0	0	109	S238 N239 T240 F295	S236-S238 PolarHBondContact O-N 2.93Å; S236-S238 PolarHBondContact OG-OG 3.09Å; S236-S238 VanDerWaalsContact OG-OG 3.13Å; S236-N239 PolarHBondContact N-OD1 3.01Å; S236-N239 PolarHBondContact O-N 3.49Å; S236-N239 PolarHBondContact O-OD1 2.87Å; S236-N239 PolarHBondContact OG-OD1 3.39Å; S236-T240 WeakPolarHBondContact O-CG2 3.22Å; S236-T240 PolarHBondContact O-N 3.5Å; S236-F295 VanDerWaalsContact C-CZ 3.44Å
237	P	90.6	Very high	94.3	Very high	81 Å²	81	43.2 Å²	43.2	53%	0.526	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.4	178.8	-29.5	36.5	0	0	0	114.5	D294 F295	P237-D294 HydrophobicContact CG-CB 4.44Å; P237-D294 WeakPolarHBondContact CG-O 3.47Å; P237-F295 HydrophobicContact CG-CZ 4.43Å
238	S	87.6	Confident	94.4	Very high	87 Å²	87	40.4 Å²	40.4	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.3	-179	62.2	0	0	0	0	114.4	S236 F241	S236-S238 PolarHBondContact O-N 2.93Å; S236-S238 PolarHBondContact OG-OG 3.09Å; S236-S238 VanDerWaalsContact OG-OG 3.13Å; S238-F241 VanDerWaalsContact O-CE1 3.3Å; S238-F241 WeakPolarHBondContact O-CE1 3.47Å
239	N	93	Very high	94.5	Very high	19 Å²	19	40.5 Å²	40.5	10%	0.102	23%	0.229	C	C	.	.	S	Bend	trans	-135.2	17.5	-173.4	82	-9.5	0	0	0	114.1	Y234 R235 S236 F241 Y242	Y234-N239 PolarHBondContact O-ND2 3.18Å; R235-N239 WeakPolarHBondContact CA-OD1 3.41Å; S236-N239 PolarHBondContact N-OD1 3.01Å; S236-N239 PolarHBondContact O-N 3.49Å; S236-N239 PolarHBondContact O-OD1 2.87Å; S236-N239 PolarHBondContact OG-OD1 3.39Å; N239-F241 HydrophobicContact CB-CE1 4.36Å; N239-F241 PolarHBondContact O-N 3.24Å; N239-F241 VanDerWaalsContact O-N 3.14Å; N239-Y242 HydrophobicContact CB-CD2 3.97Å; N239-Y242 HydrophobicContact CB-CE2 4.4Å; N239-Y242 PolarHBondContact O-N 3.29Å; N239-Y242 VanDerWaalsContact O-N 3.17Å
240	T	94.2	Very high	94.6	Very high	42 Å²	42	40.1 Å²	40.1	26%	0.258	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-56.4	-30	179.4	55.3	0	0	0	0	113	S236 Y242 F243 E244 F295	S236-T240 WeakPolarHBondContact O-CG2 3.22Å; S236-T240 PolarHBondContact O-N 3.5Å; T240-Y242 PolarHBondContact O-N 3.37Å; T240-F243 PolarHBondContact O-N 3.19Å; T240-E244 PolarHBondContact O-N 2.77Å; T240-F295 HydrophobicContact CG2-CE1 4.14Å; T240-F295 HydrophobicContact CG2-CZ 4.22Å
241	F	92	Very high	94.7	Very high	46 Å²	46	39.3 Å²	39.3	20%	0.202	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.9	-17.5	178.9	64.5	-99.3	0	0	0	114.7	D173 S238 N239	D173-F241 HydrophobicContact CB-CE2 3.75Å; D173-F241 HydrophobicContact CB-CZ 3.73Å; D173-F241 WeakPolarHBondContact OD1-CZ 3.38Å; S238-F241 VanDerWaalsContact O-CE1 3.3Å; S238-F241 WeakPolarHBondContact O-CE1 3.47Å; N239-F241 HydrophobicContact CB-CE1 4.36Å; N239-F241 PolarHBondContact O-N 3.24Å; N239-F241 VanDerWaalsContact O-N 3.14Å
242	Y	95	Very high	94.7	Very high	17 Å²	17	35.9 Å²	35.9	7%	0.067	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-73.8	-15.5	171.5	-77.4	-71	0	0	0	113.5	P146 D173 R225 Q229 N239 T240	P146-Y242 HydrophobicContact CG-CE1 4.2Å; P146-Y242 WeakPolarHBondContact CG-OH 3.41Å; D173-Y242 VanDerWaalsContact C-OH 3.26Å; D173-Y242 PolarHBondContact O-OH 2.85Å; R225-Y242 HydrophobicContact CB-CD1 4.31Å; R225-Y242 HydrophobicContact CG-CD1 4.38Å; R225-Y242 HydrophobicContact CG-CE1 4.49Å; R225-Y242 WeakPolarHBondContact O-CD1 3.41Å; Q229-Y242 HydrophobicContact CG-CD1 3.77Å; Q229-Y242 HydrophobicContact CG-CD2 3.9Å; Q229-Y242 HydrophobicContact CG-CE1 4.46Å; Q229-Y242 HydrophobicContact CG-CG 3.49Å; Q229-Y242 VanDerWaalsContact CG-CG 3.49Å; Q229-Y242 VanDerWaalsContact NE2-CE2 3.33Å; N239-Y242 HydrophobicContact CB-CD2 3.97Å; N239-Y242 HydrophobicContact CB-CE2 4.4Å; N239-Y242 PolarHBondContact O-N 3.29Å; N239-Y242 VanDerWaalsContact O-N 3.17Å; T240-Y242 PolarHBondContact O-N 3.37Å
243	F	95.5	Very high	94.6	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.031	20%	0.202	C	C	.	.	S	Bend	trans	-121.9	-1.2	-169.9	-51.9	-87	0	0	0	113.2	Q229 R235 T240 S246 L248 V286 A288	Q229-F243 HydrophobicContact CB-CE1 4.41Å; Q229-F243 HydrophobicContact CB-CZ 4.13Å; Q229-F243 HydrophobicContact CG-CE2 4.4Å; Q229-F243 HydrophobicContact CG-CZ 3.99Å; R235-F243 HydrophobicContact CB-CD2 4.05Å; R235-F243 HydrophobicContact CB-CE2 3.62Å; R235-F243 HydrophobicContact CB-CZ 3.9Å; R235-F243 HydrophobicContact CG-CD2 3.54Å; R235-F243 HydrophobicContact CG-CE2 3.59Å; R235-F243 HydrophobicContact CG-CG 4.25Å; R235-F243 HydrophobicContact CG-CZ 4.33Å; T240-F243 PolarHBondContact O-N 3.19Å; F243-S246 PolarHBondContact O-OG 2.91Å; F243-L248 HydrophobicContact CB-CD1 3.85Å; F243-L248 HydrophobicContact CB-CD2 3.59Å; F243-L248 HydrophobicContact CB-CG 4.37Å; F243-L248 HydrophobicContact CD1-CD1 3.92Å; F243-L248 HydrophobicContact CG-CD1 4.27Å; F243-V286 HydrophobicContact CD1-CG1 3.76Å; F243-A288 HydrophobicContact CD1-CB 3.84Å; F243-A288 HydrophobicContact CE1-CB 3.72Å; F243-A288 HydrophobicContact CZ-CB 4.31Å
244	E	91.7	Very high	94.3	Very high	112 Å²	112	39.9 Å²	39.9	52%	0.523	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	161.5	179.9	-73.6	170.7	-166.3	0	0	112.6	T240 S246	T240-E244 PolarHBondContact O-N 2.77Å; E244-S246 PolarHBondContact O-N 3Å
245	N	90.5	Very high	94.1	Very high	171 Å²	171	42.2 Å²	42.2	91%	0.914	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.9	175.9	-50.8	-56.2	0	0	0	114.3
246	S	93.2	Very high	93.7	Very high	35 Å²	35	43.9 Å²	43.9	25%	0.245	25%	0.246	C	C	.	.	S	Bend	trans	-138.5	161.4	-179.2	67.7	0	0	0	0	111.8	F243 E244 L248 V286	F243-S246 PolarHBondContact O-OG 2.91Å; E244-S246 PolarHBondContact O-N 3Å; S246-L248 PolarHBondContact O-N 2.94Å; S246-V286 VanDerWaalsContact CB-CG2 3.45Å; S246-V286 WeakPolarHBondContact OG-CB 3.42Å; S246-V286 WeakPolarHBondContact OG-CG2 3.21Å
247	D	97.2	Very high	93.4	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	99.3	165.2	-68.4	-25.6	0	0	0	107.6	L285 V286 Q315 S316 F338	D247-L285 HydrophobicContact CB-CD2 3.7Å; D247-L285 WeakPolarHBondContact O-CA 3.18Å; D247-V286 PolarHBondContact O-N 3.42Å; D247-Q315 WeakPolarHBondContact CA-O 3.31Å; D247-S316 WeakPolarHBondContact OD1-CA 3.25Å; D247-S316 WeakPolarHBondContact OD1-CB 3.39Å; D247-S316 PolarHBondContact OD1-OG 3.49Å; D247-F338 HydrophobicContact CB-CE1 4.23Å; D247-F338 HydrophobicContact CB-CZ 4.24Å
248	L	98	Very high	93.2	Very high	8 Å²	8	46 Å²	46	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.3	-165	178.7	55.8	0	0	0	111	F243 S246 V250 V286 A288 I314 Q315	F243-L248 HydrophobicContact CB-CD1 3.85Å; F243-L248 HydrophobicContact CB-CD2 3.59Å; F243-L248 HydrophobicContact CB-CG 4.37Å; F243-L248 HydrophobicContact CD1-CD1 3.92Å; F243-L248 HydrophobicContact CG-CD1 4.27Å; S246-L248 PolarHBondContact O-N 2.94Å; L248-V250 HydrophobicContact CD1-CG2 4.37Å; L248-V250 HydrophobicContact CD2-CG2 4.17Å; L248-V250 HydrophobicContact CG-CG2 3.77Å; L248-V286 WeakPolarHBondContact CA-O 3.4Å; L248-V286 HydrophobicContact CD1-CB 4.16Å; L248-V286 HydrophobicContact CD1-CG1 3.89Å; L248-V286 WeakPolarHBondContact CD1-O 3.48Å; L248-A288 HydrophobicContact CD1-CB 3.99Å; L248-I314 CarbonylContact O-C 3.57Å; L248-I314 WeakPolarHBondContact O-CA 3.26Å; L248-Q315 PolarHBondContact N-O 2.94Å; L248-Q315 PolarHBondContact O-N 3.24Å
249	V	98.4	Very high	93.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.8	171.5	-174.6	0	0	0	0	109.1	L285 V286 F287 A288 V312 V313 I314 F331 L335	V249-L285 HydrophobicContact CG2-CB 4.14Å; V249-L285 HydrophobicContact CG2-CD1 3.96Å; V249-L285 HydrophobicContact CG2-CG 4.45Å; V249-V286 PolarHBondContact N-O 2.93Å; V249-F287 HydrophobicContact CB-CD1 3.53Å; V249-F287 HydrophobicContact CB-CE1 3.69Å; V249-F287 HydrophobicContact CB-CG 4.21Å; V249-F287 HydrophobicContact CB-CZ 4.48Å; V249-F287 HydrophobicContact CG1-CD1 3.7Å; V249-F287 HydrophobicContact CG1-CE1 3.77Å; V249-F287 HydrophobicContact CG2-CD1 4.02Å; V249-F287 HydrophobicContact CG2-CE1 3.68Å; V249-F287 HydrophobicContact CG2-CZ 4.08Å; V249-F287 CarbonylContact O-C 3.59Å; V249-F287 WeakPolarHBondContact O-CA 3.43Å; V249-A288 PolarHBondContact O-N 3.43Å; V249-V312 HydrophobicContact CG1-CG1 3.69Å; V249-V313 CarbonylContact C-O 3.55Å; V249-V313 VanDerWaalsContact CA-O 3.32Å; V249-V313 WeakPolarHBondContact CA-O 3.5Å; V249-I314 HydrophobicContact CG2-CD1 4.41Å; V249-I314 HydrophobicContact CG2-CG1 4.11Å; V249-I314 HydrophobicContact CG2-CG2 4.47Å; V249-F331 HydrophobicContact CG1-CE2 4.03Å; V249-L335 HydrophobicContact CG1-CD2 4.07Å; V249-L335 HydrophobicContact CG2-CD2 3.88Å
250	V	98	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.2	179	-164.2	0	0	0	0	110.1	L248 Y252 A288 S290 V312 V313	L248-V250 HydrophobicContact CD1-CG2 4.37Å; L248-V250 HydrophobicContact CD2-CG2 4.17Å; L248-V250 HydrophobicContact CG-CG2 3.77Å; V250-Y252 HydrophobicContact CB-CD2 4.41Å; V250-Y252 HydrophobicContact CB-CE2 3.79Å; V250-Y252 HydrophobicContact CG1-CD1 4.38Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE1 3.94Å; V250-Y252 HydrophobicContact CG1-CE2 3.71Å; V250-Y252 HydrophobicContact CG1-CG 4.45Å; V250-A288 WeakPolarHBondContact CA-O 3.14Å; V250-A288 HydrophobicContact CG1-CB 4.24Å; V250-A288 HydrophobicContact CG2-CB 4.4Å; V250-S290 WeakPolarHBondContact CG1-OG 3.43Å; V250-V312 CarbonylContact O-C 3.59Å; V250-V312 VanDerWaalsContact O-CA 3.3Å; V250-V312 WeakPolarHBondContact O-CA 3.41Å; V250-V313 HydrophobicContact CB-CG2 3.82Å; V250-V313 HydrophobicContact CG2-CG2 4.1Å; V250-V313 PolarHBondContact N-O 3.06Å; V250-V313 PolarHBondContact O-N 3.39Å
251	L	97.6	Very high	93.1	Very high	7 Å²	7	51 Å²	51	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.9	165.9	177	71.1	0	0	0	108.6	L267 V271 A288 Y289 S290 P310 V312 F326	L251-L267 HydrophobicContact CD1-CD2 4.31Å; L251-L267 HydrophobicContact CD2-CD2 3.66Å; L251-L267 HydrophobicContact CD2-CG 3.65Å; L251-L267 HydrophobicContact CG-CD2 4.33Å; L251-V271 HydrophobicContact CD2-CG2 4.1Å; L251-A288 PolarHBondContact N-O 3.15Å; L251-Y289 HydrophobicContact CB-CD2 4.48Å; L251-Y289 HydrophobicContact CD2-CD2 3.55Å; L251-Y289 HydrophobicContact CD2-CE2 3.35Å; L251-Y289 HydrophobicContact CG-CD2 4.28Å; L251-Y289 HydrophobicContact CG-CE2 4.16Å; L251-S290 PolarHBondContact O-N 3.37Å; L251-P310 HydrophobicContact CD1-CB 4.1Å; L251-V312 HydrophobicContact CB-CG2 4.49Å; L251-V312 HydrophobicContact CD1-CG2 3.54Å; L251-F326 HydrophobicContact CD1-CB 4.37Å; L251-F326 HydrophobicContact CD1-CD2 3.8Å; L251-F326 HydrophobicContact CD1-CE2 4.31Å; L251-F326 HydrophobicContact CD1-CG 4.17Å
252	Y	96.5	Very high	93.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.4	172.8	-66.2	-84	0	0	0	111	R235 V250 S290 F295 E298 I299 P310 A311 V313	R235-Y252 PolarHBondContact NH2-OH 2.77Å; V250-Y252 HydrophobicContact CB-CD2 4.41Å; V250-Y252 HydrophobicContact CB-CE2 3.79Å; V250-Y252 HydrophobicContact CG1-CD1 4.38Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE1 3.94Å; V250-Y252 HydrophobicContact CG1-CE2 3.71Å; V250-Y252 HydrophobicContact CG1-CG 4.45Å; Y252-S290 WeakPolarHBondContact CA-O 3.2Å; Y252-S290 VanDerWaalsContact CE1-CB 3.47Å; Y252-F295 HydrophobicContact CD1-CB 4.46Å; Y252-F295 HydrophobicContact CE1-CB 3.73Å; Y252-F295 HydrophobicContact CE1-CD2 4.21Å; Y252-F295 HydrophobicContact CE1-CG 4.1Å; Y252-E298 PolarHBondContact OH-OE2 3.41Å; Y252-I299 HydrophobicContact CD1-CD1 3.7Å; Y252-I299 HydrophobicContact CD2-CD1 4.01Å; Y252-I299 HydrophobicContact CE1-CD1 4.29Å; Y252-I299 HydrophobicContact CG-CD1 3.56Å; Y252-P310 WeakPolarHBondContact O-CA 3.44Å; Y252-P310 WeakPolarHBondContact O-CB 3.48Å; Y252-A311 PolarHBondContact N-O 3.02Å; Y252-A311 PolarHBondContact O-N 3.3Å; Y252-A311 VanDerWaalsContact O-N 3.13Å; Y252-V313 HydrophobicContact CD2-CG1 4.43Å; Y252-V313 HydrophobicContact CD2-CG2 4.39Å; Y252-V313 HydrophobicContact CE2-CG1 4.17Å; Y252-V313 HydrophobicContact CE2-CG2 3.58Å
253	N	94.7	Very high	93.1	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.7	169.6	-162.5	5.4	0	0	0	110.8	Y289 S290 F291 A292	N253-Y289 HydrophobicContact CB-CE1 3.75Å; N253-Y289 VanDerWaalsContact CB-OH 3.27Å; N253-Y289 WeakPolarHBondContact CB-OH 3.21Å; N253-Y289 PolarHBondContact ND2-OH 2.94Å; N253-S290 PolarHBondContact N-O 3.19Å; N253-F291 CarbonylContact O-C 3.58Å; N253-F291 WeakPolarHBondContact O-CA 3.43Å; N253-A292 PolarHBondContact O-N 3.49Å
254	N	91.8	Very high	93	Very high	75 Å²	75	51.9 Å²	51.9	40%	0.401	29%	0.289	S	S	.	.	S	Bend	trans	-73.5	-29.5	177.4	59.9	-5.7	0	0	0	112.5	L309	N254-L309 HydrophobicContact CB-CB 4.36Å; N254-L309 HydrophobicContact CB-CD1 3.8Å
255	Q	90.3	Very high	93.2	Very high	81 Å²	81	52.5 Å²	52.5	38%	0.379	29%	0.29	S	S	.	.	S	Bend	trans	-95.2	128.9	-176.8	-70.8	168.6	-45.8	0	0	111.6	Y260 F291	Q255-Y260 HydrophobicContact CB-CD1 4.48Å; Q255-F291 WeakPolarHBondContact O-CD1 3.31Å; Q255-F291 WeakPolarHBondContact O-CE1 3.37Å
256	S	88.7	Confident	93.4	Very high	43 Å²	43	50.8 Å²	50.8	30%	0.301	27%	0.271	S	S	.	.			trans	-64.7	155.6	172.4	74	0	0	0	0	112.3	D258 S259 Y260	S256-D258 PolarHBondContact O-N 2.84Å; S256-S259 PolarHBondContact N-OG 3.18Å; S256-S259 VanDerWaalsContact N-OG 3.1Å; S256-S259 PolarHBondContact O-N 3.22Å; S256-S259 VanDerWaalsContact O-N 3.14Å; S256-S259 PolarHBondContact O-OG 2.55Å; S256-S259 WeakPolarHBondContact OG-CB 3.41Å; S256-S259 PolarHBondContact OG-N 2.74Å; S256-S259 VanDerWaalsContact OG-N 3.12Å; S256-S259 PolarHBondContact OG-OG 3.39Å; S256-Y260 PolarHBondContact O-N 3.29Å
257	I	86.9	Confident	93.4	Very high	29 Å²	29	50 Å²	50	15%	0.149	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.4	173	-170	168.4	0	0	0	113.1	Y234 P261 V264 F291	Y234-I257 HydrophobicContact CD2-CD1 4.06Å; Y234-I257 HydrophobicContact CE1-CD1 4.3Å; Y234-I257 HydrophobicContact CE2-CD1 3.4Å; I257-P261 VanDerWaalsContact O-CA 3.23Å; I257-P261 WeakPolarHBondContact O-CA 3.42Å; I257-P261 VanDerWaalsContact O-CB 3.31Å; I257-P261 WeakPolarHBondContact O-CB 3.35Å; I257-P261 VanDerWaalsContact O-CD 3.3Å; I257-P261 WeakPolarHBondContact O-CD 3.29Å; I257-V264 HydrophobicContact CB-CG1 4.45Å; I257-V264 HydrophobicContact CG1-CG1 4.39Å; I257-F291 HydrophobicContact CB-CE1 4.37Å; I257-F291 HydrophobicContact CB-CE2 4.44Å; I257-F291 HydrophobicContact CB-CZ 3.75Å; I257-F291 HydrophobicContact CG2-CE2 4.36Å; I257-F291 HydrophobicContact CG2-CZ 4.16Å
258	D	85.7	Confident	93.4	Very high	125 Å²	125	47.9 Å²	47.9	67%	0.668	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-34.8	-179.3	-63.3	-30.8	0	0	0	111.1	R199 S256	R199-D258 IonicContact NH1-OD1 3.84Å; S256-D258 PolarHBondContact O-N 2.84Å
259	S	89.8	Confident	93.4	Very high	77 Å²	77	49.2 Å²	49.2	54%	0.538	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-32.3	177.8	61.4	0	0	0	0	114.3	S256	S256-S259 PolarHBondContact N-OG 3.18Å; S256-S259 VanDerWaalsContact N-OG 3.1Å; S256-S259 PolarHBondContact O-N 3.22Å; S256-S259 VanDerWaalsContact O-N 3.14Å; S256-S259 PolarHBondContact O-OG 2.55Å; S256-S259 WeakPolarHBondContact OG-CB 3.41Å; S256-S259 PolarHBondContact OG-N 2.74Å; S256-S259 VanDerWaalsContact OG-N 3.12Å; S256-S259 PolarHBondContact OG-OG 3.39Å
260	Y	91.6	Very high	93.2	Very high	101 Å²	101	53.5 Å²	53.5	40%	0.396	28%	0.276	S	S	.	.			trans	-145.7	64.6	-176.7	-169.9	-144.2	0	0	0	113.4	Q255 S256 S262 G263 V264	Q255-Y260 HydrophobicContact CB-CD1 4.48Å; S256-Y260 PolarHBondContact O-N 3.29Å; Y260-S262 VanDerWaalsContact C-N 3.34Å; Y260-S262 WeakPolarHBondContact CE2-OG 3.1Å; Y260-S262 PolarHBondContact O-N 2.87Å; Y260-G263 VanDerWaalsContact CE1-CA 3.41Å; Y260-G263 PolarHBondContact O-N 2.86Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.14Å; Y260-V264 VanDerWaalsContact O-N 3.11Å
261	P	91.2	Very high	93.2	Very high	76 Å²	76	53.7 Å²	53.7	49%	0.494	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-37.3	-171.7	21.8	-32.9	0	0	0	113.5	I257 K265	I257-P261 VanDerWaalsContact O-CA 3.23Å; I257-P261 WeakPolarHBondContact O-CA 3.42Å; I257-P261 VanDerWaalsContact O-CB 3.31Å; I257-P261 WeakPolarHBondContact O-CB 3.35Å; I257-P261 VanDerWaalsContact O-CD 3.3Å; I257-P261 WeakPolarHBondContact O-CD 3.29Å; P261-K265 WeakPolarHBondContact O-CB 3.48Å; P261-K265 PolarHBondContact O-N 3.22Å
262	S	93.7	Very high	93.2	Very high	80 Å²	80	53.4 Å²	53.4	56%	0.559	28%	0.275	S	S	*	.	H	α-helix	trans	-69	-41.1	-178.3	55.5	0	0	0	0	112.5	Y260 Y266	Y260-S262 VanDerWaalsContact C-N 3.34Å; Y260-S262 WeakPolarHBondContact CE2-OG 3.1Å; Y260-S262 PolarHBondContact O-N 2.87Å; S262-Y266 VanDerWaalsContact O-CB 3.24Å; S262-Y266 WeakPolarHBondContact O-CB 3.45Å; S262-Y266 PolarHBondContact O-N 3.04Å
263	G	93	Very high	93.2	Very high	8 Å²	8	58 Å²	58	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-69.7	-43.3	177	0	0	0	0	0	113	Y260 K265 Y266 L267	Y260-G263 VanDerWaalsContact CE1-CA 3.41Å; Y260-G263 PolarHBondContact O-N 2.86Å; G263-K265 PolarHBondContact O-N 3.08Å; G263-Y266 PolarHBondContact O-N 2.89Å; G263-L267 WeakPolarHBondContact O-CB 3.33Å; G263-L267 PolarHBondContact O-N 3.17Å
264	V	94.7	Very high	93.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-50	173.2	171.4	0	0	0	0	110.2	Y234 I257 Y260 Y266 L267 R268 Y289 F291	Y234-V264 HydrophobicContact CE1-CG1 3.69Å; I257-V264 HydrophobicContact CB-CG1 4.45Å; I257-V264 HydrophobicContact CG1-CG1 4.39Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.14Å; Y260-V264 VanDerWaalsContact O-N 3.11Å; V264-Y266 PolarHBondContact O-N 3.34Å; V264-L267 PolarHBondContact O-N 2.96Å; V264-R268 VanDerWaalsContact O-CB 3.3Å; V264-R268 WeakPolarHBondContact O-CB 3.15Å; V264-R268 PolarHBondContact O-N 3.15Å; V264-Y289 HydrophobicContact CG1-CD1 4.31Å; V264-Y289 HydrophobicContact CG1-CE1 3.85Å; V264-Y289 HydrophobicContact CG1-CE2 4.44Å; V264-Y289 HydrophobicContact CG2-CE1 4.28Å; V264-F291 HydrophobicContact CG1-CE1 4.25Å; V264-F291 HydrophobicContact CG1-CZ 4.34Å; V264-F291 HydrophobicContact CG2-CE1 3.94Å
265	K	95	Very high	93.4	Very high	125 Å²	125	55.3 Å²	55.3	54%	0.543	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-43.1	177.2	-175.9	174.6	-175.5	173	0	112.4	P261 G263 N269	P261-K265 WeakPolarHBondContact O-CB 3.48Å; P261-K265 PolarHBondContact O-N 3.22Å; G263-K265 PolarHBondContact O-N 3.08Å; K265-N269 VanDerWaalsContact O-CB 3.26Å; K265-N269 WeakPolarHBondContact O-CB 3.3Å; K265-N269 PolarHBondContact O-N 3.01Å; K265-N269 PolarHBondContact O-ND2 2.76Å
266	Y	94.7	Very high	93.6	Very high	135 Å²	135	56.5 Å²	56.5	53%	0.529	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-48.7	178.5	170.1	-101.5	0	0	0	111.9	S262 G263 V264 N269 R270	S262-Y266 VanDerWaalsContact O-CB 3.24Å; S262-Y266 WeakPolarHBondContact O-CB 3.45Å; S262-Y266 PolarHBondContact O-N 3.04Å; G263-Y266 PolarHBondContact O-N 2.89Å; V264-Y266 PolarHBondContact O-N 3.34Å; Y266-N269 PolarHBondContact O-N 2.84Å; Y266-R270 VanDerWaalsContact CZ-NE 3.32Å; Y266-R270 PolarHBondContact O-N 3.12Å; Y266-R270 PolarHBondContact OH-NE 3.11Å; Y266-R270 VanDerWaalsContact OH-NE 3.14Å; Y266-R270 PolarHBondContact OH-NH2 2.88Å
267	L	94.8	Very high	93.8	Very high	18 Å²	18	58.8 Å²	58.8	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-71.1	-42.3	-177.3	-168.7	61.1	0	0	0	111.8	L251 G263 V264 N269 R270 V271 Y289 P310 F326	L251-L267 HydrophobicContact CD1-CD2 4.31Å; L251-L267 HydrophobicContact CD2-CD2 3.66Å; L251-L267 HydrophobicContact CD2-CG 3.65Å; L251-L267 HydrophobicContact CG-CD2 4.33Å; G263-L267 WeakPolarHBondContact O-CB 3.33Å; G263-L267 PolarHBondContact O-N 3.17Å; V264-L267 PolarHBondContact O-N 2.96Å; L267-N269 VanDerWaalsContact C-N 3.3Å; L267-N269 PolarHBondContact O-N 3.14Å; L267-R270 WeakPolarHBondContact O-CB 3.3Å; L267-R270 PolarHBondContact O-N 2.85Å; L267-R270 VanDerWaalsContact O-N 3.12Å; L267-V271 PolarHBondContact O-N 3.38Å; L267-Y289 HydrophobicContact CB-CE2 4.2Å; L267-Y289 HydrophobicContact CD2-CE2 4.26Å; L267-Y289 HydrophobicContact CG-CE2 4.31Å; L267-P310 HydrophobicContact CD2-CB 3.89Å; L267-P310 HydrophobicContact CD2-CG 3.82Å; L267-F326 HydrophobicContact CD1-CD1 3.63Å; L267-F326 HydrophobicContact CD1-CE1 3.27Å; L267-F326 HydrophobicContact CD1-CZ 3.91Å; L267-F326 HydrophobicContact CG-CE1 4.47Å
268	R	96.7	Very high	94.1	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-44.8	172	-178.5	179.4	176.9	-93.8	-9.7	111.5	L200 E205 V232 V264 R270 V271 L272 Y289	L200-R268 PolarHBondContact O-NH1 3.13Å; L200-R268 PolarHBondContact O-NH2 3.3Å; E205-R268 IonicContact OE1-NH2 3.41Å; E205-R268 PolarHBondContact OE1-NH2 3Å; V232-R268 HydrophobicContact CB-CG 4.26Å; V232-R268 HydrophobicContact CG1-CG 4.06Å; V232-R268 PolarHBondContact O-NE 2.77Å; V232-R268 PolarHBondContact O-NH2 3.08Å; V264-R268 VanDerWaalsContact O-CB 3.3Å; V264-R268 WeakPolarHBondContact O-CB 3.15Å; V264-R268 PolarHBondContact O-N 3.15Å; R268-R270 VanDerWaalsContact C-N 3.26Å; R268-R270 PolarHBondContact O-N 2.9Å; R268-V271 PolarHBondContact O-N 2.89Å; R268-L272 HydrophobicContact CG-CD1 4.13Å; R268-L272 HydrophobicContact CG-CG 4.46Å; R268-L272 WeakPolarHBondContact O-CG 3.37Å; R268-L272 PolarHBondContact O-N 3.06Å; R268-Y289 HydrophobicContact CB-CD2 4.02Å; R268-Y289 HydrophobicContact CB-CE2 4.31Å
269	N	96.9	Very high	94.3	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.193	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-29.3	178.7	-76.9	-14.6	0	0	0	113.4	F204 K265 Y266 L267 K273	F204-N269 HydrophobicContact CD2-CB 4.44Å; F204-N269 HydrophobicContact CE2-CB 3.74Å; F204-N269 HydrophobicContact CZ-CB 4.37Å; K265-N269 VanDerWaalsContact O-CB 3.26Å; K265-N269 WeakPolarHBondContact O-CB 3.3Å; K265-N269 PolarHBondContact O-N 3.01Å; K265-N269 PolarHBondContact O-ND2 2.76Å; Y266-N269 PolarHBondContact O-N 2.84Å; L267-N269 VanDerWaalsContact C-N 3.3Å; L267-N269 PolarHBondContact O-N 3.14Å; N269-K273 WeakPolarHBondContact O-CB 3.35Å; N269-K273 PolarHBondContact O-N 3Å
270	R	95.8	Very high	94.5	Very high	93 Å²	93	61.4 Å²	61.4	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-44.8	173.6	-84	-171.3	170.7	-148	-4	111.5	Y266 L267 R268 K273 T274 L328	Y266-R270 VanDerWaalsContact CZ-NE 3.32Å; Y266-R270 PolarHBondContact O-N 3.12Å; Y266-R270 PolarHBondContact OH-NE 3.11Å; Y266-R270 VanDerWaalsContact OH-NE 3.14Å; Y266-R270 PolarHBondContact OH-NH2 2.88Å; L267-R270 WeakPolarHBondContact O-CB 3.3Å; L267-R270 PolarHBondContact O-N 2.85Å; L267-R270 VanDerWaalsContact O-N 3.12Å; R268-R270 VanDerWaalsContact C-N 3.26Å; R268-R270 PolarHBondContact O-N 2.9Å; R270-K273 PolarHBondContact O-N 2.74Å; R270-T274 PolarHBondContact O-N 2.86Å; R270-T274 VanDerWaalsContact O-N 3.14Å; R270-T274 PolarHBondContact O-OG1 3.34Å; R270-L328 HydrophobicContact CB-CD2 3.89Å; R270-L328 HydrophobicContact CG-CD1 4.29Å; R270-L328 HydrophobicContact CG-CD2 4.38Å
271	V	96.9	Very high	94.5	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-50	173.5	-179.7	0	0	0	0	110.4	V232 L251 L267 R268 K273 T274 L275 F287 F326 F331	V232-V271 HydrophobicContact CG2-CB 4.26Å; V232-V271 HydrophobicContact CG2-CG1 3.68Å; L251-V271 HydrophobicContact CD2-CG2 4.1Å; L267-V271 PolarHBondContact O-N 3.38Å; R268-V271 PolarHBondContact O-N 2.89Å; V271-K273 VanDerWaalsContact C-N 3.27Å; V271-K273 PolarHBondContact O-N 3.2Å; V271-T274 WeakPolarHBondContact O-CB 3.4Å; V271-T274 PolarHBondContact O-N 2.74Å; V271-L275 HydrophobicContact CG1-CD1 4.38Å; V271-L275 HydrophobicContact CG1-CG 4.5Å; V271-L275 WeakPolarHBondContact O-CG 3.33Å; V271-L275 PolarHBondContact O-N 3.32Å; V271-F287 HydrophobicContact CG1-CD1 4.2Å; V271-F326 HydrophobicContact CG2-CE2 4.41Å; V271-F326 HydrophobicContact CG2-CZ 4.45Å; V271-F331 HydrophobicContact CB-CE1 4.49Å; V271-F331 HydrophobicContact CG1-CE1 4.02Å; V271-F331 HydrophobicContact CG1-CZ 3.85Å; V271-F331 HydrophobicContact CG2-CE1 4.25Å; V271-F331 HydrophobicContact CG2-CZ 4.3Å
272	L	97.3	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.4	-42.4	177.2	-76.7	169.4	0	0	0	112.8	T202 F204 E205 L231 V232 R268 L275 K276	T202-L272 HydrophobicContact CG2-CD1 3.72Å; F204-L272 HydrophobicContact CB-CB 3.9Å; F204-L272 HydrophobicContact CB-CD1 4.47Å; F204-L272 HydrophobicContact CD2-CB 4.15Å; F204-L272 HydrophobicContact CD2-CD1 4.23Å; F204-L272 HydrophobicContact CG-CB 4.06Å; E205-L272 WeakPolarHBondContact OE1-CD2 3.47Å; L231-L272 HydrophobicContact CB-CD2 3.59Å; L231-L272 HydrophobicContact CD1-CD2 4.27Å; V232-L272 HydrophobicContact CB-CD2 4.07Å; V232-L272 HydrophobicContact CB-CG 4.28Å; V232-L272 HydrophobicContact CG2-CD2 3.7Å; V232-L272 HydrophobicContact CG2-CG 3.91Å; R268-L272 HydrophobicContact CG-CD1 4.13Å; R268-L272 HydrophobicContact CG-CG 4.46Å; R268-L272 WeakPolarHBondContact O-CG 3.37Å; R268-L272 PolarHBondContact O-N 3.06Å; L272-L275 PolarHBondContact O-N 2.89Å; L272-K276 WeakPolarHBondContact O-CB 3.43Å; L272-K276 PolarHBondContact O-N 2.95Å
273	K	96.2	Very high	94.6	Very high	98 Å²	98	60.9 Å²	60.9	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176.6	178.7	165	172	43.4	0	111.5	F204 N269 R270 V271 L275 K276 D277	F204-K273 HydrophobicContact CD1-CB 4.25Å; F204-K273 HydrophobicContact CE1-CB 3.91Å; F204-K273 HydrophobicContact CE1-CD 4.48Å; F204-K273 HydrophobicContact CE1-CG 4.38Å; N269-K273 WeakPolarHBondContact O-CB 3.35Å; N269-K273 PolarHBondContact O-N 3Å; R270-K273 PolarHBondContact O-N 2.74Å; V271-K273 VanDerWaalsContact C-N 3.27Å; V271-K273 PolarHBondContact O-N 3.2Å; K273-L275 VanDerWaalsContact C-N 3.28Å; K273-L275 PolarHBondContact O-N 3.13Å; K273-K276 PolarHBondContact O-N 3.24Å; K273-D277 WeakPolarHBondContact CE-OD2 3.5Å; K273-D277 WeakPolarHBondContact CG-OD2 3.47Å; K273-D277 VanDerWaalsContact NZ-CG 3.33Å; K273-D277 IonicContact NZ-OD1 3.64Å; K273-D277 PolarHBondContact NZ-OD1 2.94Å; K273-D277 VanDerWaalsContact NZ-OD1 3.16Å; K273-D277 IonicContact NZ-OD2 3.6Å; K273-D277 PolarHBondContact NZ-OD2 3.03Å; K273-D277 WeakPolarHBondContact O-CB 3.14Å; K273-D277 PolarHBondContact O-N 3.39Å
274	T	95.3	Very high	94.6	Very high	16 Å²	16	65.7 Å²	65.7	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-43.3	175.7	-61.5	0	0	0	0	111.6	R270 V271 N278 F282 F331	R270-T274 PolarHBondContact O-N 2.86Å; R270-T274 VanDerWaalsContact O-N 3.14Å; R270-T274 PolarHBondContact O-OG1 3.34Å; V271-T274 WeakPolarHBondContact O-CB 3.4Å; V271-T274 PolarHBondContact O-N 2.74Å; T274-N278 WeakPolarHBondContact O-CB 3.34Å; T274-N278 PolarHBondContact O-N 3.13Å; T274-N278 PolarHBondContact O-ND2 3.12Å; T274-F282 HydrophobicContact CG2-CE2 4.17Å; T274-F331 HydrophobicContact CG2-CE1 4.32Å
275	L	95.6	Very high	94.6	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-44.3	178.5	-56.9	-177.5	0	0	0	112.2	L231 V232 V271 L272 K273 D277 N278 P279 F282 F287	L231-L275 HydrophobicContact CB-CD1 4.17Å; L231-L275 HydrophobicContact CD1-CB 4.49Å; V232-L275 HydrophobicContact CG2-CD1 3.76Å; V271-L275 HydrophobicContact CG1-CD1 4.38Å; V271-L275 HydrophobicContact CG1-CG 4.5Å; V271-L275 WeakPolarHBondContact O-CG 3.33Å; V271-L275 PolarHBondContact O-N 3.32Å; L272-L275 PolarHBondContact O-N 2.89Å; K273-L275 VanDerWaalsContact C-N 3.28Å; K273-L275 PolarHBondContact O-N 3.13Å; L275-D277 VanDerWaalsContact C-N 3.29Å; L275-D277 PolarHBondContact O-N 2.82Å; L275-N278 CarbonylContact O-C 3.53Å; L275-N278 PolarHBondContact O-N 3Å; L275-N278 VanDerWaalsContact O-N 3.07Å; L275-P279 WeakPolarHBondContact O-CA 3.5Å; L275-F282 HydrophobicContact CD2-CB 4.18Å; L275-F282 HydrophobicContact CD2-CD2 3.95Å; L275-F282 HydrophobicContact CD2-CG 4.45Å; L275-F287 HydrophobicContact CD1-CB 4.29Å; L275-F287 HydrophobicContact CD1-CD1 4.29Å; L275-F287 HydrophobicContact CD1-CD2 3.52Å; L275-F287 HydrophobicContact CD1-CE2 3.88Å; L275-F287 HydrophobicContact CD1-CG 3.77Å; L275-F287 HydrophobicContact CD1-CZ 4.42Å; L275-F287 HydrophobicContact CD2-CD1 4.33Å; L275-F287 HydrophobicContact CD2-CD2 3.97Å; L275-F287 HydrophobicContact CD2-CE1 3.83Å; L275-F287 HydrophobicContact CD2-CE2 3.41Å; L275-F287 VanDerWaalsContact CD2-CE2 3.41Å; L275-F287 HydrophobicContact CD2-CG 4.41Å; L275-F287 HydrophobicContact CD2-CZ 3.36Å; L275-F287 HydrophobicContact CG-CD2 4.39Å; L275-F287 HydrophobicContact CG-CE2 4.29Å; L275-F287 HydrophobicContact CG-CZ 4.49Å
276	K	94.7	Very high	94.7	Very high	106 Å²	106	62.7 Å²	62.7	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-40.7	176.6	-179.3	-179.7	-174.9	168.8	0	112.2	K203 F204 L272 K273 N278 P279	K203-K276 PolarHBondContact O-NZ 3.28Å; F204-K276 HydrophobicContact CB-CD 4.32Å; F204-K276 HydrophobicContact CD1-CD 3.97Å; L272-K276 WeakPolarHBondContact O-CB 3.43Å; L272-K276 PolarHBondContact O-N 2.95Å; K273-K276 PolarHBondContact O-N 3.24Å; K276-N278 VanDerWaalsContact C-N 3.25Å; K276-N278 PolarHBondContact O-N 2.76Å; K276-P279 WeakPolarHBondContact O-CD 3.36Å
277	D	94	Very high	94.9	Very high	90 Å²	90	56.8 Å²	56.8	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-75.1	-16.6	179.5	-64.1	-15	0	0	0	111.9	K273 L275	K273-D277 WeakPolarHBondContact CE-OD2 3.5Å; K273-D277 WeakPolarHBondContact CG-OD2 3.47Å; K273-D277 VanDerWaalsContact NZ-CG 3.33Å; K273-D277 IonicContact NZ-OD1 3.64Å; K273-D277 PolarHBondContact NZ-OD1 2.94Å; K273-D277 VanDerWaalsContact NZ-OD1 3.16Å; K273-D277 IonicContact NZ-OD2 3.6Å; K273-D277 PolarHBondContact NZ-OD2 3.03Å; K273-D277 WeakPolarHBondContact O-CB 3.14Å; K273-D277 PolarHBondContact O-N 3.39Å; L275-D277 VanDerWaalsContact C-N 3.29Å; L275-D277 PolarHBondContact O-N 2.82Å
278	N	92.8	Very high	95	Very high	65 Å²	65	56 Å²	56	35%	0.348	27%	0.273	S	S	.	.			trans	-133.6	53.6	-176.1	-60	-87.5	0	0	0	113.2	T274 L275 K276 Q280 K281 F282	T274-N278 WeakPolarHBondContact O-CB 3.34Å; T274-N278 PolarHBondContact O-N 3.13Å; T274-N278 PolarHBondContact O-ND2 3.12Å; L275-N278 CarbonylContact O-C 3.53Å; L275-N278 PolarHBondContact O-N 3Å; L275-N278 VanDerWaalsContact O-N 3.07Å; K276-N278 VanDerWaalsContact C-N 3.25Å; K276-N278 PolarHBondContact O-N 2.76Å; N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 2.94Å; N278-Q280 VanDerWaalsContact O-N 3.14Å; N278-K281 HydrophobicContact CB-CB 4.04Å; N278-K281 PolarHBondContact O-N 3.1Å; N278-K281 VanDerWaalsContact O-N 3.1Å; N278-F282 HydrophobicContact CB-CD2 4.16Å; N278-F282 HydrophobicContact CB-CE2 4.01Å
279	P	89.7	Confident	95.1	Very high	86 Å²	86	55.8 Å²	55.8	56%	0.558	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.2	-165.4	26.3	-35.6	0	0	0	114.1	L275 K276	L275-P279 WeakPolarHBondContact O-CA 3.5Å; K276-P279 WeakPolarHBondContact O-CD 3.36Å
280	Q	93.3	Very high	95.1	Very high	135 Å²	135	54.1 Å²	54.1	63%	0.631	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-23.3	179	-65.2	-57.1	-44.1	0	0	113.4	N278 K283	N278-Q280 VanDerWaalsContact C-N 3.27Å; N278-Q280 PolarHBondContact O-N 2.94Å; N278-Q280 VanDerWaalsContact O-N 3.14Å; Q280-K283 WeakPolarHBondContact O-CG 3.47Å
281	K	92.2	Very high	95.1	Very high	102 Å²	102	50.4 Å²	50.4	44%	0.443	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-41.9	-169.5	-164.4	173.9	-168.1	-179.3	0	112.1	N278 N336	N278-K281 HydrophobicContact CB-CB 4.04Å; N278-K281 PolarHBondContact O-N 3.1Å; N278-K281 VanDerWaalsContact O-N 3.1Å; K281-N336 WeakPolarHBondContact CE-OD1 3.32Å; K281-N336 PolarHBondContact NZ-ND2 2.83Å; K281-N336 PolarHBondContact NZ-OD1 2.75Å
282	F	93.4	Very high	94.9	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.044	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	23.2	-175.4	-52	-52.7	0	0	0	112.4	T274 L275 N278 N284 L285 F287 L335 E339	T274-F282 HydrophobicContact CG2-CE2 4.17Å; L275-F282 HydrophobicContact CD2-CB 4.18Å; L275-F282 HydrophobicContact CD2-CD2 3.95Å; L275-F282 HydrophobicContact CD2-CG 4.45Å; N278-F282 HydrophobicContact CB-CD2 4.16Å; N278-F282 HydrophobicContact CB-CE2 4.01Å; F282-N284 PolarHBondContact O-N 3.49Å; F282-L285 HydrophobicContact CB-CD1 4.18Å; F282-L285 HydrophobicContact CD1-CD1 4.13Å; F282-L285 PolarHBondContact O-N 2.96Å; F282-L285 VanDerWaalsContact O-N 3.1Å; F282-F287 HydrophobicContact CB-CE2 4.12Å; F282-F287 HydrophobicContact CB-CZ 3.94Å; F282-F287 HydrophobicContact CG-CZ 4.46Å; F282-L335 HydrophobicContact CD1-CB 3.98Å; F282-L335 HydrophobicContact CD1-CD1 4.15Å; F282-L335 HydrophobicContact CD2-CD1 4.08Å; F282-L335 HydrophobicContact CE1-CB 3.41Å; F282-L335 VanDerWaalsContact CE1-CB 3.41Å; F282-L335 HydrophobicContact CE1-CD1 4.01Å; F282-L335 HydrophobicContact CE1-CG 4.37Å; F282-L335 HydrophobicContact CE2-CD1 3.92Å; F282-L335 HydrophobicContact CG-CD1 4.18Å; F282-L335 HydrophobicContact CZ-CB 3.77Å; F282-L335 HydrophobicContact CZ-CD1 3.88Å; F282-E339 HydrophobicContact CD1-CG 4.28Å
283	K	92.9	Very high	94.7	Very high	134 Å²	134	57 Å²	57	58%	0.583	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.3	-171.9	70.3	-179.1	177.8	-178.6	0	114.4	Q280	Q280-K283 WeakPolarHBondContact O-CG 3.47Å
284	N	93.2	Very high	94.5	Very high	109 Å²	109	55.9 Å²	55.9	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.2	179	-63	-29.4	0	0	0	112.3	F282	F282-N284 PolarHBondContact O-N 3.49Å
285	L	96.2	Very high	94.5	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	142.7	179.1	-56	-178.3	0	0	0	110.2	D247 V249 F282 F287 L335 F338 E339	D247-L285 HydrophobicContact CB-CD2 3.7Å; D247-L285 WeakPolarHBondContact O-CA 3.18Å; V249-L285 HydrophobicContact CG2-CB 4.14Å; V249-L285 HydrophobicContact CG2-CD1 3.96Å; V249-L285 HydrophobicContact CG2-CG 4.45Å; F282-L285 HydrophobicContact CB-CD1 4.18Å; F282-L285 HydrophobicContact CD1-CD1 4.13Å; F282-L285 PolarHBondContact O-N 2.96Å; F282-L285 VanDerWaalsContact O-N 3.1Å; L285-F287 HydrophobicContact CB-CD2 4.37Å; L285-F287 HydrophobicContact CB-CE2 3.55Å; L285-F287 HydrophobicContact CB-CZ 3.74Å; L285-F287 HydrophobicContact CD1-CZ 3.93Å; L285-F287 HydrophobicContact CG-CZ 4.47Å; L285-L335 HydrophobicContact CD1-CD2 4.05Å; L285-F338 HydrophobicContact CD1-CD1 4.49Å; L285-F338 HydrophobicContact CD2-CD1 3.86Å; L285-F338 HydrophobicContact CD2-CE1 3.53Å; L285-E339 WeakPolarHBondContact CG-OE1 3.44Å
286	V	96.9	Very high	94.4	Very high	49 Å²	49	58.4 Å²	58.4	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.6	169.3	175.6	0	0	0	0	108	F243 S246 D247 L248 V249	F243-V286 HydrophobicContact CD1-CG1 3.76Å; S246-V286 VanDerWaalsContact CB-CG2 3.45Å; S246-V286 WeakPolarHBondContact OG-CB 3.42Å; S246-V286 WeakPolarHBondContact OG-CG2 3.21Å; D247-V286 PolarHBondContact O-N 3.42Å; L248-V286 WeakPolarHBondContact CA-O 3.4Å; L248-V286 HydrophobicContact CD1-CB 4.16Å; L248-V286 HydrophobicContact CD1-CG1 3.89Å; L248-V286 WeakPolarHBondContact CD1-O 3.48Å; V249-V286 PolarHBondContact N-O 2.93Å
287	F	98	Very high	94.2	Very high	11 Å²	11	60 Å²	60	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	-178.2	-60.4	-101.9	0	0	0	112	L231 V232 G233 V249 V271 L275 F282 L285 F331 L335	L231-F287 WeakPolarHBondContact O-CB 3.25Å; V232-F287 WeakPolarHBondContact CA-O 3.46Å; V232-F287 HydrophobicContact CB-CB 4.47Å; V232-F287 HydrophobicContact CG1-CB 4.45Å; V232-F287 HydrophobicContact CG2-CB 4Å; G233-F287 PolarHBondContact N-O 2.9Å; V249-F287 HydrophobicContact CB-CD1 3.53Å; V249-F287 HydrophobicContact CB-CE1 3.69Å; V249-F287 HydrophobicContact CB-CG 4.21Å; V249-F287 HydrophobicContact CB-CZ 4.48Å; V249-F287 HydrophobicContact CG1-CD1 3.7Å; V249-F287 HydrophobicContact CG1-CE1 3.77Å; V249-F287 HydrophobicContact CG2-CD1 4.02Å; V249-F287 HydrophobicContact CG2-CE1 3.68Å; V249-F287 HydrophobicContact CG2-CZ 4.08Å; V249-F287 CarbonylContact O-C 3.59Å; V249-F287 WeakPolarHBondContact O-CA 3.43Å; V271-F287 HydrophobicContact CG1-CD1 4.2Å; L275-F287 HydrophobicContact CD1-CB 4.29Å; L275-F287 HydrophobicContact CD1-CD1 4.29Å; L275-F287 HydrophobicContact CD1-CD2 3.52Å; L275-F287 HydrophobicContact CD1-CE2 3.88Å; L275-F287 HydrophobicContact CD1-CG 3.77Å; L275-F287 HydrophobicContact CD1-CZ 4.42Å; L275-F287 HydrophobicContact CD2-CD1 4.33Å; L275-F287 HydrophobicContact CD2-CD2 3.97Å; L275-F287 HydrophobicContact CD2-CE1 3.83Å; L275-F287 HydrophobicContact CD2-CE2 3.41Å; L275-F287 VanDerWaalsContact CD2-CE2 3.41Å; L275-F287 HydrophobicContact CD2-CG 4.41Å; L275-F287 HydrophobicContact CD2-CZ 3.36Å; L275-F287 HydrophobicContact CG-CD2 4.39Å; L275-F287 HydrophobicContact CG-CE2 4.29Å; L275-F287 HydrophobicContact CG-CZ 4.49Å; F282-F287 HydrophobicContact CB-CE2 4.12Å; F282-F287 HydrophobicContact CB-CZ 3.94Å; F282-F287 HydrophobicContact CG-CZ 4.46Å; L285-F287 HydrophobicContact CB-CD2 4.37Å; L285-F287 HydrophobicContact CB-CE2 3.55Å; L285-F287 HydrophobicContact CB-CZ 3.74Å; L285-F287 HydrophobicContact CD1-CZ 3.93Å; L285-F287 HydrophobicContact CG-CZ 4.47Å; F287-F331 HydrophobicContact CD1-CZ 4.26Å; F287-F331 AromaticContact CE1-CZ 3.93Å; F287-F331 HydrophobicContact CE1-CZ 3.93Å; F287-L335 HydrophobicContact CE1-CD1 3.88Å; F287-L335 HydrophobicContact CE1-CD2 4.04Å; F287-L335 HydrophobicContact CZ-CD1 4.09Å; F287-L335 HydrophobicContact CZ-CD2 4.42Å
288	A	97.9	Very high	94.3	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.017	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.2	176.2	0	0	0	0	0	111.2	G233 R235 F243 L248 V249 V250 L251	G233-A288 CarbonylContact O-C 3.57Å; G233-A288 WeakPolarHBondContact O-CA 3.28Å; R235-A288 HydrophobicContact CB-CB 3.78Å; F243-A288 HydrophobicContact CD1-CB 3.84Å; F243-A288 HydrophobicContact CE1-CB 3.72Å; F243-A288 HydrophobicContact CZ-CB 4.31Å; L248-A288 HydrophobicContact CD1-CB 3.99Å; V249-A288 PolarHBondContact O-N 3.43Å; V250-A288 WeakPolarHBondContact CA-O 3.14Å; V250-A288 HydrophobicContact CG1-CB 4.24Å; V250-A288 HydrophobicContact CG2-CB 4.4Å; L251-A288 PolarHBondContact N-O 3.15Å
289	Y	97.6	Very high	94.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.5	166.6	-164.4	-65.2	0	0	0	107.5	G233 Y234 R235 L251 N253 V264 L267 R268 F291	G233-Y289 PolarHBondContact O-N 3.32Å; Y234-Y289 WeakPolarHBondContact CA-O 3.46Å; Y234-Y289 HydrophobicContact CD1-CD1 4.31Å; Y234-Y289 HydrophobicContact CD1-CG 4.31Å; Y234-Y289 HydrophobicContact CE1-CD1 4.4Å; Y234-Y289 HydrophobicContact CE1-CG 4.31Å; R235-Y289 PolarHBondContact N-O 3.48Å; L251-Y289 HydrophobicContact CB-CD2 4.48Å; L251-Y289 HydrophobicContact CD2-CD2 3.55Å; L251-Y289 HydrophobicContact CD2-CE2 3.35Å; L251-Y289 HydrophobicContact CG-CD2 4.28Å; L251-Y289 HydrophobicContact CG-CE2 4.16Å; N253-Y289 HydrophobicContact CB-CE1 3.75Å; N253-Y289 VanDerWaalsContact CB-OH 3.27Å; N253-Y289 WeakPolarHBondContact CB-OH 3.21Å; N253-Y289 PolarHBondContact ND2-OH 2.94Å; V264-Y289 HydrophobicContact CG1-CD1 4.31Å; V264-Y289 HydrophobicContact CG1-CE1 3.85Å; V264-Y289 HydrophobicContact CG1-CE2 4.44Å; V264-Y289 HydrophobicContact CG2-CE1 4.28Å; L267-Y289 HydrophobicContact CB-CE2 4.2Å; L267-Y289 HydrophobicContact CD2-CE2 4.26Å; L267-Y289 HydrophobicContact CG-CE2 4.31Å; R268-Y289 HydrophobicContact CB-CD2 4.02Å; R268-Y289 HydrophobicContact CB-CE2 4.31Å; Y289-F291 AromaticContact CD1-CE1 3.97Å; Y289-F291 HydrophobicContact CD1-CE1 3.97Å; Y289-F291 HydrophobicContact CD1-CZ 4.19Å; Y289-F291 HydrophobicContact CE1-CD1 4.2Å; Y289-F291 AromaticContact CE1-CE1 3.65Å; Y289-F291 HydrophobicContact CE1-CE1 3.65Å; Y289-F291 HydrophobicContact CE1-CZ 4.28Å
290	S	97	Very high	94.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	160.3	-178.7	-63	0	0	0	0	111	R235 V250 L251 Y252 N253	R235-S290 PolarHBondContact NE-OG 2.86Å; R235-S290 VanDerWaalsContact NE-OG 3.15Å; V250-S290 WeakPolarHBondContact CG1-OG 3.43Å; L251-S290 PolarHBondContact O-N 3.37Å; Y252-S290 WeakPolarHBondContact CA-O 3.2Å; Y252-S290 VanDerWaalsContact CE1-CB 3.47Å; N253-S290 PolarHBondContact N-O 3.19Å
291	F	95.2	Very high	94.2	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.8	174.3	-51.8	-69.1	0	0	0	109.5	Y234 N253 Q255 I257 V264 Y289 D293 D294 F295	Y234-F291 HydrophobicContact CD1-CZ 4.3Å; N253-F291 CarbonylContact O-C 3.58Å; N253-F291 WeakPolarHBondContact O-CA 3.43Å; Q255-F291 WeakPolarHBondContact O-CD1 3.31Å; Q255-F291 WeakPolarHBondContact O-CE1 3.37Å; I257-F291 HydrophobicContact CB-CE1 4.37Å; I257-F291 HydrophobicContact CB-CE2 4.44Å; I257-F291 HydrophobicContact CB-CZ 3.75Å; I257-F291 HydrophobicContact CG2-CE2 4.36Å; I257-F291 HydrophobicContact CG2-CZ 4.16Å; V264-F291 HydrophobicContact CG1-CE1 4.25Å; V264-F291 HydrophobicContact CG1-CZ 4.34Å; V264-F291 HydrophobicContact CG2-CE1 3.94Å; Y289-F291 AromaticContact CD1-CE1 3.97Å; Y289-F291 HydrophobicContact CD1-CE1 3.97Å; Y289-F291 HydrophobicContact CD1-CZ 4.19Å; Y289-F291 HydrophobicContact CE1-CD1 4.2Å; Y289-F291 AromaticContact CE1-CE1 3.65Å; Y289-F291 HydrophobicContact CE1-CE1 3.65Å; Y289-F291 HydrophobicContact CE1-CZ 4.28Å; F291-D293 VanDerWaalsContact C-N 3.26Å; F291-D293 PolarHBondContact O-N 2.88Å; F291-D294 WeakPolarHBondContact CD2-OD2 3.41Å; F291-D294 PolarHBondContact O-N 3.23Å; F291-D294 VanDerWaalsContact O-N 3.13Å; F291-F295 PolarHBondContact O-N 2.85Å
292	A	94.2	Very high	94.3	Very high	9 Å²	9	45 Å²	45	7%	0.074	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-59.1	-38.9	-174.3	0	0	0	0	0	112.1	N253 D294 F295 S296 I299 L309	N253-A292 PolarHBondContact O-N 3.49Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 PolarHBondContact O-N 3.35Å; A292-F295 CarbonylContact O-C 3.56Å; A292-F295 VanDerWaalsContact O-C 3.31Å; A292-F295 PolarHBondContact O-N 3.46Å; A292-F295 VanDerWaalsContact O-N 3.17Å; A292-S296 WeakPolarHBondContact O-CA 3.42Å; A292-S296 PolarHBondContact O-N 3.25Å; A292-I299 HydrophobicContact CB-CD1 4.1Å; A292-I299 HydrophobicContact CB-CG1 3.97Å; A292-L309 HydrophobicContact CB-CD1 3.66Å
293	D	92.3	Very high	94.1	Very high	134 Å²	134	46.4 Å²	46.4	72%	0.717	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.8	-33.2	179.3	-69.8	-9.1	0	0	0	112.7	F291 F295	F291-D293 VanDerWaalsContact C-N 3.26Å; F291-D293 PolarHBondContact O-N 2.88Å; D293-F295 VanDerWaalsContact C-N 3.3Å; D293-F295 PolarHBondContact O-N 3.02Å
294	D	92.5	Very high	94	Very high	74 Å²	74	40.5 Å²	40.5	40%	0.396	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-75.5	-20.7	179.3	-68.2	-25.4	0	0	0	112.4	P237 F291 A292	P237-D294 HydrophobicContact CG-CB 4.44Å; P237-D294 WeakPolarHBondContact CG-O 3.47Å; F291-D294 WeakPolarHBondContact CD2-OD2 3.41Å; F291-D294 PolarHBondContact O-N 3.23Å; F291-D294 VanDerWaalsContact O-N 3.13Å; A292-D294 VanDerWaalsContact C-N 3.28Å; A292-D294 PolarHBondContact O-N 3.35Å
295	F	95	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-132.1	37.8	-173.9	-68.6	-81.9	0	0	0	112.5	R235 S236 P237 T240 Y252 F291 A292 D293 Y297 E298 I299	R235-F295 HydrophobicContact CG-CE2 4.46Å; R235-F295 HydrophobicContact CG-CZ 4Å; R235-F295 WeakPolarHBondContact O-CE2 3.38Å; S236-F295 VanDerWaalsContact C-CZ 3.44Å; P237-F295 HydrophobicContact CG-CZ 4.43Å; T240-F295 HydrophobicContact CG2-CE1 4.14Å; T240-F295 HydrophobicContact CG2-CZ 4.22Å; Y252-F295 HydrophobicContact CD1-CB 4.46Å; Y252-F295 HydrophobicContact CE1-CB 3.73Å; Y252-F295 HydrophobicContact CE1-CD2 4.21Å; Y252-F295 HydrophobicContact CE1-CG 4.1Å; F291-F295 PolarHBondContact O-N 2.85Å; A292-F295 CarbonylContact O-C 3.56Å; A292-F295 VanDerWaalsContact O-C 3.31Å; A292-F295 PolarHBondContact O-N 3.46Å; A292-F295 VanDerWaalsContact O-N 3.17Å; D293-F295 VanDerWaalsContact C-N 3.3Å; D293-F295 PolarHBondContact O-N 3.02Å; F295-Y297 HydrophobicContact CD1-CE1 4.05Å; F295-Y297 AromaticContact CD1-CZ 3.97Å; F295-Y297 WeakPolarHBondContact CD1-OH 3.43Å; F295-Y297 PolarHBondContact O-N 3.09Å; F295-Y297 VanDerWaalsContact O-N 3.1Å; F295-E298 HydrophobicContact CB-CB 4.28Å; F295-E298 HydrophobicContact CB-CG 4.25Å; F295-E298 HydrophobicContact CD1-CG 4.24Å; F295-E298 WeakPolarHBondContact CD1-OE1 3.46Å; F295-E298 WeakPolarHBondContact O-CB 3.36Å; F295-E298 PolarHBondContact O-N 2.89Å; F295-I299 PolarHBondContact O-N 3.25Å
296	S	92.8	Very high	93.5	Very high	81 Å²	81	44 Å²	44	57%	0.566	25%	0.254	S	S	*	.	H	α-helix	trans	-54.5	-32.9	-176.2	55.4	0	0	0	0	114.1	A292 I299 S300	A292-S296 WeakPolarHBondContact O-CA 3.42Å; A292-S296 PolarHBondContact O-N 3.25Å; S296-I299 PolarHBondContact O-N 3.4Å; S296-S300 WeakPolarHBondContact O-CB 3.47Å; S296-S300 PolarHBondContact O-N 2.74Å
297	Y	92.1	Very high	93.3	Very high	140 Å²	140	46.9 Å²	46.9	55%	0.549	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-41.3	174.6	67.3	-86.9	0	0	0	112.1	F295 S300 D301	F295-Y297 HydrophobicContact CD1-CE1 4.05Å; F295-Y297 AromaticContact CD1-CZ 3.97Å; F295-Y297 WeakPolarHBondContact CD1-OH 3.43Å; F295-Y297 PolarHBondContact O-N 3.09Å; F295-Y297 VanDerWaalsContact O-N 3.1Å; Y297-S300 PolarHBondContact O-N 2.87Å; Y297-D301 VanDerWaalsContact O-CB 3.27Å; Y297-D301 WeakPolarHBondContact O-CB 3.25Å; Y297-D301 PolarHBondContact O-N 3.32Å
298	E	94.4	Very high	93	Very high	23 Å²	23	49.3 Å²	49.3	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-44.5	176.9	-54.3	-173.6	178.7	0	0	110.1	R235 Y252 F295 S300 D301 Y302	R235-E298 IonicContact CZ-OE2 3.32Å; R235-E298 IonicContact NH2-OE1 2.76Å; R235-E298 IonicContact NH2-OE2 3.5Å; R235-E298 PolarHBondContact NH2-OE2 3.22Å; Y252-E298 PolarHBondContact OH-OE2 3.41Å; F295-E298 HydrophobicContact CB-CB 4.28Å; F295-E298 HydrophobicContact CB-CG 4.25Å; F295-E298 HydrophobicContact CD1-CG 4.24Å; F295-E298 WeakPolarHBondContact CD1-OE1 3.46Å; F295-E298 WeakPolarHBondContact O-CB 3.36Å; F295-E298 PolarHBondContact O-N 2.89Å; E298-S300 PolarHBondContact O-N 3.38Å; E298-D301 WeakPolarHBondContact O-CB 3.41Å; E298-D301 PolarHBondContact O-N 2.98Å; E298-Y302 HydrophobicContact CB-CD2 4.34Å; E298-Y302 HydrophobicContact CB-CE2 4.33Å; E298-Y302 WeakPolarHBondContact O-CD2 3.35Å; E298-Y302 PolarHBondContact O-N 2.98Å
299	I	94.2	Very high	92.8	Very high	22 Å²	22	50.4 Å²	50.4	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-53.7	-45.3	175.4	-63.2	-58.8	0	0	0	111	Y252 A292 F295 S296 G303 I304 L309	Y252-I299 HydrophobicContact CD1-CD1 3.7Å; Y252-I299 HydrophobicContact CD2-CD1 4.01Å; Y252-I299 HydrophobicContact CE1-CD1 4.29Å; Y252-I299 HydrophobicContact CG-CD1 3.56Å; A292-I299 HydrophobicContact CB-CD1 4.1Å; A292-I299 HydrophobicContact CB-CG1 3.97Å; F295-I299 PolarHBondContact O-N 3.25Å; S296-I299 PolarHBondContact O-N 3.4Å; I299-G303 PolarHBondContact O-N 3.48Å; I299-G303 VanDerWaalsContact O-N 3.14Å; I299-I304 HydrophobicContact CD1-CD1 4.26Å; I299-I304 HydrophobicContact CG2-CB 4.12Å; I299-I304 WeakPolarHBondContact CG2-O 3.38Å; I299-I304 PolarHBondContact O-N 3.26Å; I299-L309 HydrophobicContact CD1-CD2 4.42Å
300	S	90.7	Very high	92.7	Very high	73 Å²	73	52.1 Å²	52.1	51%	0.51	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-37.6	176.5	-179.3	0	0	0	0	113	S296 Y297 E298 G303	S296-S300 WeakPolarHBondContact O-CB 3.47Å; S296-S300 PolarHBondContact O-N 2.74Å; Y297-S300 PolarHBondContact O-N 2.87Å; E298-S300 PolarHBondContact O-N 3.38Å; S300-G303 PolarHBondContact O-N 3.33Å; S300-G303 VanDerWaalsContact O-N 3.15Å
301	D	90.3	Very high	92.6	Very high	42 Å²	42	52.1 Å²	52.1	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-38.9	-179.3	-170.7	58.7	0	0	0	112.2	Y297 E298 G303 K320 H346	Y297-D301 VanDerWaalsContact O-CB 3.27Å; Y297-D301 WeakPolarHBondContact O-CB 3.25Å; Y297-D301 PolarHBondContact O-N 3.32Å; E298-D301 WeakPolarHBondContact O-CB 3.41Å; E298-D301 PolarHBondContact O-N 2.98Å; D301-G303 PolarHBondContact O-N 3.12Å; D301-K320 IonicContact OD1-NZ 3.84Å; D301-K320 WeakPolarHBondContact OD2-CE 3.32Å; D301-K320 IonicContact OD2-NZ 2.65Å; D301-K320 PolarHBondContact OD2-NZ 3.28Å; D301-H346 PolarHBondContact O-NE2 3.46Å; D301-H346 VanDerWaalsContact O-NE2 3.13Å
302	Y	92.6	Very high	92.8	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.016	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.8	170.2	-72	-77.4	0	0	0	113.5	E298 I304 V313 K320 K322 H346	E298-Y302 HydrophobicContact CB-CD2 4.34Å; E298-Y302 HydrophobicContact CB-CE2 4.33Å; E298-Y302 WeakPolarHBondContact O-CD2 3.35Å; E298-Y302 PolarHBondContact O-N 2.98Å; Y302-I304 VanDerWaalsContact C-N 3.26Å; Y302-I304 HydrophobicContact CG-CD1 4.25Å; Y302-I304 PolarHBondContact O-N 3.32Å; Y302-V313 HydrophobicContact CD1-CB 4.1Å; Y302-V313 HydrophobicContact CD1-CG1 3.64Å; Y302-V313 HydrophobicContact CD2-CG1 3.9Å; Y302-V313 HydrophobicContact CE1-CB 3.63Å; Y302-V313 HydrophobicContact CE1-CG1 3.72Å; Y302-V313 HydrophobicContact CE1-CG2 4.22Å; Y302-V313 HydrophobicContact CE2-CB 4.17Å; Y302-V313 HydrophobicContact CE2-CG1 4.06Å; Y302-V313 HydrophobicContact CE2-CG2 3.96Å; Y302-V313 HydrophobicContact CG-CG1 3.74Å; Y302-K320 HydrophobicContact CD1-CB 4.34Å; Y302-K320 HydrophobicContact CE1-CB 3.58Å; Y302-K320 HydrophobicContact CE1-CD 4.17Å; Y302-K320 HydrophobicContact CE1-CG 3.93Å; Y302-K322 HydrophobicContact CD1-CB 4.43Å; Y302-K322 WeakPolarHBondContact O-CD 3.46Å; Y302-K322 PolarHBondContact O-NZ 2.91Å; Y302-H346 WeakPolarHBondContact CA-NE2 3.39Å; Y302-H346 PolarHBondContact O-CE1 2.86Å; Y302-H346 PolarHBondContact O-NE2 3.14Å
303	G	89.5	Confident	92.9	Very high	38 Å²	38	51 Å²	51	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	37.7	-174.8	0	0	0	0	0	112.4	I299 S300 D301 E305	I299-G303 PolarHBondContact O-N 3.48Å; I299-G303 VanDerWaalsContact O-N 3.14Å; S300-G303 PolarHBondContact O-N 3.33Å; S300-G303 VanDerWaalsContact O-N 3.15Å; D301-G303 PolarHBondContact O-N 3.12Å; G303-E305 PolarHBondContact O-N 3.06Å
304	I	92.2	Very high	93.2	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	26%	0.255	C	S	.	.			trans	-83.3	114.6	179.7	-64.9	164.1	0	0	0	108.5	I299 Y302 L309 A311 V313	I299-I304 HydrophobicContact CD1-CD1 4.26Å; I299-I304 HydrophobicContact CG2-CB 4.12Å; I299-I304 WeakPolarHBondContact CG2-O 3.38Å; I299-I304 PolarHBondContact O-N 3.26Å; Y302-I304 VanDerWaalsContact C-N 3.26Å; Y302-I304 HydrophobicContact CG-CD1 4.25Å; Y302-I304 PolarHBondContact O-N 3.32Å; I304-L309 HydrophobicContact CG2-CD2 3.8Å; I304-L309 HydrophobicContact CG2-CG 4.09Å; I304-A311 HydrophobicContact CD1-CB 4Å; I304-A311 HydrophobicContact CG1-CB 4.34Å; I304-A311 HydrophobicContact CG2-CB 3.83Å; I304-V313 HydrophobicContact CD1-CG1 3.81Å
305	E	89.6	Confident	93.4	Very high	116 Å²	116	44.6 Å²	44.6	54%	0.542	25%	0.252	S	S	.	.			trans	-73.5	148.1	174	-58.9	174.5	168	0	0	111	G303 D307 K308	G303-E305 PolarHBondContact O-N 3.06Å; E305-D307 VanDerWaalsContact CB-OD1 3.29Å; E305-D307 WeakPolarHBondContact CB-OD1 3.46Å; E305-D307 PolarHBondContact O-N 3.27Å; E305-K308 HydrophobicContact CB-CG 3.98Å; E305-K308 WeakPolarHBondContact O-CB 3.5Å; E305-K308 PolarHBondContact O-N 3.24Å; E305-K308 WeakPolarHBondContact OE2-CE 3.43Å; E305-K308 IonicContact OE2-NZ 3.89Å
306	A	89.6	Confident	93.5	Very high	78 Å²	78	45.3 Å²	45.3	65%	0.645	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61.2	-29.7	-173.7	0	0	0	0	0	113.8	K308	A306-K308 VanDerWaalsContact C-N 3.32Å
307	D	90.8	Very high	93.4	Very high	110 Å²	110	50.4 Å²	50.4	59%	0.588	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-80.1	-11.3	177.2	72.3	-47.3	0	0	0	113.3	E305	E305-D307 VanDerWaalsContact CB-OD1 3.29Å; E305-D307 WeakPolarHBondContact CB-OD1 3.46Å; E305-D307 PolarHBondContact O-N 3.27Å
308	K	91.7	Very high	93.2	Very high	63 Å²	63	50.2 Å²	50.2	27%	0.274	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.1	-5.7	175.1	-51.9	-58.8	179.4	-134.9	0	113.1	E305 A306 P310 K325	E305-K308 HydrophobicContact CB-CG 3.98Å; E305-K308 WeakPolarHBondContact O-CB 3.5Å; E305-K308 PolarHBondContact O-N 3.24Å; E305-K308 WeakPolarHBondContact OE2-CE 3.43Å; E305-K308 IonicContact OE2-NZ 3.89Å; A306-K308 VanDerWaalsContact C-N 3.32Å; K308-P310 CarbonylContact O-C 3.44Å; K308-K325 PolarHBondContact O-N 2.9Å
309	L	93.9	Very high	93.2	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.126	29%	0.293	C	S	.	.			trans	-72.9	143.4	173.2	-68.3	169.3	0	0	0	110.6	N254 A292 I299 I304 A311	N254-L309 HydrophobicContact CB-CB 4.36Å; N254-L309 HydrophobicContact CB-CD1 3.8Å; A292-L309 HydrophobicContact CB-CD1 3.66Å; I299-L309 HydrophobicContact CD1-CD2 4.42Å; I304-L309 HydrophobicContact CG2-CD2 3.8Å; I304-L309 HydrophobicContact CG2-CG 4.09Å; L309-A311 HydrophobicContact CD2-CB 4.07Å
310	P	95.3	Very high	93.2	Very high	36 Å²	36	55.4 Å²	55.4	23%	0.234	30%	0.3	C	S	.	.	S	Bend	cis	-73.6	139.8	-0	28	-31.6	0	0	0	112.6	L251 Y252 L267 K308 F326	L251-P310 HydrophobicContact CD1-CB 4.1Å; Y252-P310 WeakPolarHBondContact O-CA 3.44Å; Y252-P310 WeakPolarHBondContact O-CB 3.48Å; L267-P310 HydrophobicContact CD2-CB 3.89Å; L267-P310 HydrophobicContact CD2-CG 3.82Å; K308-P310 CarbonylContact O-C 3.44Å; P310-F326 HydrophobicContact CB-CB 4.41Å; P310-F326 HydrophobicContact CG-CB 4.09Å; P310-F326 VanDerWaalsContact O-CB 3.32Å; P310-F326 WeakPolarHBondContact O-CB 3.47Å; P310-F326 PolarHBondContact O-N 2.79Å
311	A	96.6	Very high	93.5	Very high	1 Å²	1	53 Å²	53	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.3	-179.6	0	0	0	0	0	110	Y252 I304 L309	Y252-A311 PolarHBondContact N-O 3.02Å; Y252-A311 PolarHBondContact O-N 3.3Å; Y252-A311 VanDerWaalsContact O-N 3.13Å; I304-A311 HydrophobicContact CD1-CB 4Å; I304-A311 HydrophobicContact CG1-CB 4.34Å; I304-A311 HydrophobicContact CG2-CB 3.83Å; L309-A311 HydrophobicContact CD2-CB 4.07Å
312	V	97.9	Very high	93.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.3	177	-178.1	0	0	0	0	109.2	V249 V250 L251 K322 L323 F326 F331 F334	V249-V312 HydrophobicContact CG1-CG1 3.69Å; V250-V312 CarbonylContact O-C 3.59Å; V250-V312 VanDerWaalsContact O-CA 3.3Å; V250-V312 WeakPolarHBondContact O-CA 3.41Å; L251-V312 HydrophobicContact CB-CG2 4.49Å; L251-V312 HydrophobicContact CD1-CG2 3.54Å; V312-K322 WeakPolarHBondContact O-CA 3.15Å; V312-L323 HydrophobicContact CB-CB 4.28Å; V312-L323 PolarHBondContact N-O 3.47Å; V312-L323 PolarHBondContact O-N 2.9Å; V312-F326 HydrophobicContact CG2-CD2 3.6Å; V312-F326 HydrophobicContact CG2-CE2 4.31Å; V312-F331 HydrophobicContact CB-CD2 4.42Å; V312-F331 HydrophobicContact CG1-CD2 4Å; V312-F331 HydrophobicContact CG1-CE2 3.87Å; V312-F331 HydrophobicContact CG2-CD2 3.9Å; V312-F331 HydrophobicContact CG2-CE2 4.24Å; V312-F334 HydrophobicContact CB-CE1 4.43Å; V312-F334 HydrophobicContact CG1-CD1 4.17Å; V312-F334 HydrophobicContact CG1-CE1 3.91Å
313	V	97.8	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158.8	170.5	-52.4	0	0	0	0	110.7	V249 V250 Y252 Y302 I304 Y321 K322	V249-V313 CarbonylContact C-O 3.55Å; V249-V313 VanDerWaalsContact CA-O 3.32Å; V249-V313 WeakPolarHBondContact CA-O 3.5Å; V250-V313 HydrophobicContact CB-CG2 3.82Å; V250-V313 HydrophobicContact CG2-CG2 4.1Å; V250-V313 PolarHBondContact N-O 3.06Å; V250-V313 PolarHBondContact O-N 3.39Å; Y252-V313 HydrophobicContact CD2-CG1 4.43Å; Y252-V313 HydrophobicContact CD2-CG2 4.39Å; Y252-V313 HydrophobicContact CE2-CG1 4.17Å; Y252-V313 HydrophobicContact CE2-CG2 3.58Å; Y302-V313 HydrophobicContact CD1-CB 4.1Å; Y302-V313 HydrophobicContact CD1-CG1 3.64Å; Y302-V313 HydrophobicContact CD2-CG1 3.9Å; Y302-V313 HydrophobicContact CE1-CB 3.63Å; Y302-V313 HydrophobicContact CE1-CG1 3.72Å; Y302-V313 HydrophobicContact CE1-CG2 4.22Å; Y302-V313 HydrophobicContact CE2-CB 4.17Å; Y302-V313 HydrophobicContact CE2-CG1 4.06Å; Y302-V313 HydrophobicContact CE2-CG2 3.96Å; Y302-V313 HydrophobicContact CG-CG1 3.74Å; I304-V313 HydrophobicContact CD1-CG1 3.81Å; V313-Y321 CarbonylContact C-O 3.58Å; V313-Y321 WeakPolarHBondContact CA-O 3.12Å; V313-Y321 VanDerWaalsContact CB-O 3.29Å; V313-Y321 WeakPolarHBondContact CB-O 3.3Å; V313-K322 HydrophobicContact CG1-CB 4.32Å
314	I	98.2	Very high	93.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.8	165.4	-49.3	-179.9	0	0	0	107.5	L248 V249 K320 Y321 F334 L335 F338 L343	L248-I314 CarbonylContact O-C 3.57Å; L248-I314 WeakPolarHBondContact O-CA 3.26Å; V249-I314 HydrophobicContact CG2-CD1 4.41Å; V249-I314 HydrophobicContact CG2-CG1 4.11Å; V249-I314 HydrophobicContact CG2-CG2 4.47Å; I314-K320 CarbonylContact O-C 3.56Å; I314-K320 WeakPolarHBondContact O-CA 3.28Å; I314-Y321 HydrophobicContact CB-CD2 4.12Å; I314-Y321 HydrophobicContact CG2-CD2 4.48Å; I314-Y321 PolarHBondContact N-O 3.49Å; I314-Y321 PolarHBondContact O-N 2.9Å; I314-F334 HydrophobicContact CD1-CD1 4.1Å; I314-F334 HydrophobicContact CD1-CE1 3.63Å; I314-F334 HydrophobicContact CD1-CZ 3.99Å; I314-F334 HydrophobicContact CG1-CD1 4.36Å; I314-F334 HydrophobicContact CG1-CE1 3.48Å; I314-F334 VanDerWaalsContact CG1-CE1 3.48Å; I314-F334 HydrophobicContact CG1-CZ 3.83Å; I314-L335 HydrophobicContact CD1-CD2 4.23Å; I314-F338 HydrophobicContact CB-CD2 4.31Å; I314-F338 HydrophobicContact CB-CE2 4.36Å; I314-F338 HydrophobicContact CD1-CB 3.51Å; I314-F338 HydrophobicContact CD1-CD1 4.04Å; I314-F338 HydrophobicContact CD1-CD2 3.69Å; I314-F338 HydrophobicContact CD1-CE2 4.46Å; I314-F338 HydrophobicContact CD1-CG 3.44Å; I314-F338 VanDerWaalsContact CD1-CG 3.44Å; I314-F338 HydrophobicContact CG2-CD1 4.39Å; I314-F338 HydrophobicContact CG2-CD2 3.93Å; I314-F338 HydrophobicContact CG2-CE1 4.13Å; I314-F338 HydrophobicContact CG2-CE2 3.62Å; I314-F338 HydrophobicContact CG2-CG 4.31Å; I314-F338 HydrophobicContact CG2-CZ 3.73Å; I314-L343 HydrophobicContact CD1-CD1 4.43Å
315	Q	96.8	Very high	93.5	Very high	73 Å²	73	64.5 Å²	64.5	34%	0.341	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.3	169.9	-176.9	177.1	-1.4	0	0	108.2	D247 L248	D247-Q315 WeakPolarHBondContact CA-O 3.31Å; L248-Q315 PolarHBondContact N-O 2.94Å; L248-Q315 PolarHBondContact O-N 3.24Å
316	S	96.3	Very high	93.7	Very high	16 Å²	16	60.2 Å²	60.2	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	107.2	-179.8	178	0	0	0	0	109.2	D247 D318 K319	D247-S316 WeakPolarHBondContact OD1-CA 3.25Å; D247-S316 WeakPolarHBondContact OD1-CB 3.39Å; D247-S316 PolarHBondContact OD1-OG 3.49Å; S316-D318 PolarHBondContact O-N 3.5Å; S316-D318 VanDerWaalsContact O-N 3.14Å; S316-K319 PolarHBondContact N-O 2.91Å; S316-K319 WeakPolarHBondContact O-CA 3.37Å; S316-K319 WeakPolarHBondContact O-CB 3.47Å; S316-K319 PolarHBondContact O-N 2.68Å; S316-K319 VanDerWaalsContact O-O 3.14Å
317	K	91.6	Very high	94	Very high	187 Å²	187	59.1 Å²	59.1	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-115.8	-174.3	-57.8	174.9	-178.8	172.8	0	111.3
318	D	87.9	Confident	94	Very high	137 Å²	137	56.3 Å²	56.3	73%	0.733	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.7	177.5	62	-40.3	0	0	0	113.4	S316	S316-D318 PolarHBondContact O-N 3.5Å; S316-D318 VanDerWaalsContact O-N 3.14Å
319	K	93.7	Very high	94.2	Very high	99 Å²	99	59.8 Å²	59.8	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.2	-176.8	-60.8	179.8	-175	179.6	0	111.3	S316 Y321 P345	S316-K319 PolarHBondContact N-O 2.91Å; S316-K319 WeakPolarHBondContact O-CA 3.37Å; S316-K319 WeakPolarHBondContact O-CB 3.47Å; S316-K319 PolarHBondContact O-N 2.68Å; S316-K319 VanDerWaalsContact O-O 3.14Å; K319-Y321 HydrophobicContact CB-CE2 3.67Å; K319-Y321 WeakPolarHBondContact CD-OH 3.43Å; K319-P345 HydrophobicContact CB-CB 4.46Å; K319-P345 HydrophobicContact CB-CG 4.46Å; K319-P345 HydrophobicContact CD-CG 4.04Å; K319-P345 HydrophobicContact CG-CG 4.29Å
320	K	94.8	Very high	94.3	Very high	55 Å²	55	60 Å²	60	24%	0.239	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.3	-179.7	-71.7	174.8	-163.4	163.4	0	107.5	D301 Y302 I314 P345 H346	D301-K320 IonicContact OD1-NZ 3.84Å; D301-K320 WeakPolarHBondContact OD2-CE 3.32Å; D301-K320 IonicContact OD2-NZ 2.65Å; D301-K320 PolarHBondContact OD2-NZ 3.28Å; Y302-K320 HydrophobicContact CD1-CB 4.34Å; Y302-K320 HydrophobicContact CE1-CB 3.58Å; Y302-K320 HydrophobicContact CE1-CD 4.17Å; Y302-K320 HydrophobicContact CE1-CG 3.93Å; I314-K320 CarbonylContact O-C 3.56Å; I314-K320 WeakPolarHBondContact O-CA 3.28Å; K320-P345 CarbonylContact O-C 3.55Å; K320-P345 VanDerWaalsContact O-CA 3.26Å; K320-P345 WeakPolarHBondContact O-CA 3.26Å; K320-H346 HydrophobicContact CB-CB 4.35Å; K320-H346 PolarHBondContact O-N 3.31Å
321	Y	97.2	Very high	94.4	Very high	23 Å²	23	58.4 Å²	58.4	9%	0.09	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.8	176.5	-55.1	-90.5	0	0	0	108.3	V313 I314 K319 F338 L343 T344 P345	V313-Y321 CarbonylContact C-O 3.58Å; V313-Y321 WeakPolarHBondContact CA-O 3.12Å; V313-Y321 VanDerWaalsContact CB-O 3.29Å; V313-Y321 WeakPolarHBondContact CB-O 3.3Å; I314-Y321 HydrophobicContact CB-CD2 4.12Å; I314-Y321 HydrophobicContact CG2-CD2 4.48Å; I314-Y321 PolarHBondContact N-O 3.49Å; I314-Y321 PolarHBondContact O-N 2.9Å; K319-Y321 HydrophobicContact CB-CE2 3.67Å; K319-Y321 WeakPolarHBondContact CD-OH 3.43Å; Y321-F338 AromaticContact CD2-CD2 3.96Å; Y321-F338 HydrophobicContact CD2-CD2 3.96Å; Y321-F338 AromaticContact CD2-CE2 3.78Å; Y321-F338 HydrophobicContact CD2-CE2 3.78Å; Y321-F338 AromaticContact CE2-CD2 3.99Å; Y321-F338 HydrophobicContact CE2-CD2 3.99Å; Y321-F338 AromaticContact CE2-CE2 3.53Å; Y321-F338 HydrophobicContact CE2-CE2 3.53Å; Y321-F338 HydrophobicContact CG-CD2 4.38Å; Y321-L343 HydrophobicContact CD1-CB 3.46Å; Y321-L343 VanDerWaalsContact CD1-CB 3.46Å; Y321-L343 HydrophobicContact CD1-CD1 4.03Å; Y321-L343 HydrophobicContact CD1-CG 4.43Å; Y321-L343 HydrophobicContact CE1-CB 3.68Å; Y321-L343 WeakPolarHBondContact CE1-O 3.46Å; Y321-L343 HydrophobicContact CG-CB 4.4Å; Y321-L343 HydrophobicContact CG-CD1 4.2Å; Y321-T344 WeakPolarHBondContact CD1-O 3.32Å; Y321-P345 HydrophobicContact CE1-CB 4.25Å; Y321-P345 HydrophobicContact CE1-CG 3.89Å
322	K	96.1	Very high	94.3	Very high	64 Å²	64	60 Å²	60	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.6	178.5	68.7	175.8	-178.8	171.1	0	112	Y302 V312 V313 E324 H346	Y302-K322 HydrophobicContact CD1-CB 4.43Å; Y302-K322 WeakPolarHBondContact O-CD 3.46Å; Y302-K322 PolarHBondContact O-NZ 2.91Å; V312-K322 WeakPolarHBondContact O-CA 3.15Å; V313-K322 HydrophobicContact CG1-CB 4.32Å; K322-E324 HydrophobicContact CD-CG 4.31Å; K322-E324 VanDerWaalsContact CE-OE1 3.23Å; K322-E324 WeakPolarHBondContact CE-OE1 3.46Å; K322-E324 IonicContact NZ-OE1 2.68Å; K322-E324 PolarHBondContact NZ-OE1 3.39Å; K322-H346 WeakPolarHBondContact CD-ND1 3.31Å; K322-H346 WeakPolarHBondContact CE-ND1 3.23Å; K322-H346 HydrophobicContact CG-CB 4.29Å
323	L	96.2	Very high	94.3	Very high	29 Å²	29	63.5 Å²	63.5	15%	0.152	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108	163.1	170.9	68.1	0	0	0	107.1	V312 A330 F331 F334	V312-L323 HydrophobicContact CB-CB 4.28Å; V312-L323 PolarHBondContact N-O 3.47Å; V312-L323 PolarHBondContact O-N 2.9Å; L323-A330 HydrophobicContact CD1-CB 4.03Å; L323-A330 HydrophobicContact CD2-CB 4.06Å; L323-F331 HydrophobicContact CD2-CB 4.39Å; L323-F334 HydrophobicContact CB-CB 4.33Å; L323-F334 HydrophobicContact CB-CD1 3.81Å; L323-F334 HydrophobicContact CB-CD2 3.87Å; L323-F334 HydrophobicContact CB-CE1 3.94Å; L323-F334 HydrophobicContact CB-CE2 4.02Å; L323-F334 HydrophobicContact CB-CG 3.76Å; L323-F334 HydrophobicContact CB-CZ 4.07Å; L323-F334 HydrophobicContact CD2-CB 3.93Å; L323-F334 HydrophobicContact CD2-CD1 4.3Å; L323-F334 HydrophobicContact CD2-CG 4.2Å; L323-F334 HydrophobicContact CG-CG 4.47Å
324	E	85.4	Confident	94.3	Very high	82 Å²	82	64 Å²	64	38%	0.383	32%	0.319	S	S	.	.	S	Bend	trans	-75.9	141.4	171.7	-66.8	178.7	-174.8	0	0	109.9	K322	K322-E324 HydrophobicContact CD-CG 4.31Å; K322-E324 VanDerWaalsContact CE-OE1 3.23Å; K322-E324 WeakPolarHBondContact CE-OE1 3.46Å; K322-E324 IonicContact NZ-OE1 2.68Å; K322-E324 PolarHBondContact NZ-OE1 3.39Å
325	K	87.2	Confident	94.2	Very high	160 Å²	160	64 Å²	64	70%	0.696	32%	0.319	S	S	*	.	S	Bend	trans	57.9	89.9	179.8	-169.7	-179.6	-177.4	177	0	113.6	K308 S327	K308-K325 PolarHBondContact O-N 2.9Å; K325-S327 PolarHBondContact O-N 2.98Å
326	F	93.6	Very high	94.2	Very high	27 Å²	27	62.3 Å²	62.3	12%	0.118	31%	0.312	C	S	.	.			trans	-57.4	132.5	177	177.4	-89.3	0	0	0	113.4	L251 L267 V271 P310 V312 L328 F331	L251-F326 HydrophobicContact CD1-CB 4.37Å; L251-F326 HydrophobicContact CD1-CD2 3.8Å; L251-F326 HydrophobicContact CD1-CE2 4.31Å; L251-F326 HydrophobicContact CD1-CG 4.17Å; L267-F326 HydrophobicContact CD1-CD1 3.63Å; L267-F326 HydrophobicContact CD1-CE1 3.27Å; L267-F326 HydrophobicContact CD1-CZ 3.91Å; L267-F326 HydrophobicContact CG-CE1 4.47Å; V271-F326 HydrophobicContact CG2-CE2 4.41Å; V271-F326 HydrophobicContact CG2-CZ 4.45Å; P310-F326 HydrophobicContact CB-CB 4.41Å; P310-F326 HydrophobicContact CG-CB 4.09Å; P310-F326 VanDerWaalsContact O-CB 3.32Å; P310-F326 WeakPolarHBondContact O-CB 3.47Å; P310-F326 PolarHBondContact O-N 2.79Å; V312-F326 HydrophobicContact CG2-CD2 3.6Å; V312-F326 HydrophobicContact CG2-CE2 4.31Å; F326-L328 HydrophobicContact CZ-CD2 4.22Å; F326-F331 HydrophobicContact CD2-CB 4Å; F326-F331 HydrophobicContact CD2-CD2 4.36Å; F326-F331 HydrophobicContact CD2-CG 4.28Å; F326-F331 HydrophobicContact CE2-CB 3.58Å; F326-F331 HydrophobicContact CE2-CD1 4.07Å; F326-F331 AromaticContact CE2-CD2 3.96Å; F326-F331 HydrophobicContact CE2-CD2 3.96Å; F326-F331 AromaticContact CE2-CG 3.61Å; F326-F331 HydrophobicContact CE2-CG 3.61Å; F326-F331 HydrophobicContact CZ-CB 4.33Å; F326-F331 HydrophobicContact CZ-CG 4.47Å
327	S	94.3	Very high	94.3	Very high	54 Å²	54	65.3 Å²	65.3	38%	0.378	32%	0.323	S	S	.	.			trans	-139.2	161.7	156.5	80.2	0	0	0	0	108.4	K325 D329 A330 F331	K325-S327 PolarHBondContact O-N 2.98Å; S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 PolarHBondContact O-N 3Å; S327-A330 WeakPolarHBondContact OG-CB 3.37Å; S327-A330 PolarHBondContact OG-N 3.33Å; S327-A330 VanDerWaalsContact OG-N 3.14Å; S327-F331 WeakPolarHBondContact O-CB 3.21Å; S327-F331 PolarHBondContact O-N 3.46Å
328	L	92.6	Very high	94.5	Very high	51 Å²	51	57.6 Å²	57.6	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-40.4	-179.4	-84.4	176.9	0	0	0	112.7	R270 F326 S332	R270-L328 HydrophobicContact CB-CD2 3.89Å; R270-L328 HydrophobicContact CG-CD1 4.29Å; R270-L328 HydrophobicContact CG-CD2 4.38Å; F326-L328 HydrophobicContact CZ-CD2 4.22Å; L328-S332 WeakPolarHBondContact O-CB 3.47Å; L328-S332 PolarHBondContact O-N 3Å; L328-S332 PolarHBondContact O-OG 3.49Å
329	D	94.9	Very high	94.9	Very high	136 Å²	136	54.3 Å²	54.3	73%	0.727	27%	0.27	S	S	*	.	H	α-helix	trans	-71.4	-45.6	-179	-60.4	-26.1	0	0	0	110.5	S327 F331 S332 D333	S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 PolarHBondContact O-N 3Å; D329-F331 VanDerWaalsContact C-N 3.33Å; D329-F331 PolarHBondContact O-N 2.87Å; D329-S332 PolarHBondContact O-N 3.38Å; D329-D333 WeakPolarHBondContact O-CB 3.38Å; D329-D333 PolarHBondContact O-N 2.82Å
330	A	96.8	Very high	95	Very high	29 Å²	29	55 Å²	55	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-38.1	177.4	0	0	0	0	0	111.7	L323 S327 F334	L323-A330 HydrophobicContact CD1-CB 4.03Å; L323-A330 HydrophobicContact CD2-CB 4.06Å; S327-A330 WeakPolarHBondContact OG-CB 3.37Å; S327-A330 PolarHBondContact OG-N 3.33Å; S327-A330 VanDerWaalsContact OG-N 3.14Å; A330-F334 WeakPolarHBondContact O-CB 3.47Å; A330-F334 PolarHBondContact O-N 2.62Å
331	F	96.8	Very high	95	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-47	174.3	176.6	-115.9	0	0	0	111.6	V249 V271 T274 F287 V312 L323 F326 S327 D329 F334 L335	V249-F331 HydrophobicContact CG1-CE2 4.03Å; V271-F331 HydrophobicContact CB-CE1 4.49Å; V271-F331 HydrophobicContact CG1-CE1 4.02Å; V271-F331 HydrophobicContact CG1-CZ 3.85Å; V271-F331 HydrophobicContact CG2-CE1 4.25Å; V271-F331 HydrophobicContact CG2-CZ 4.3Å; T274-F331 HydrophobicContact CG2-CE1 4.32Å; F287-F331 HydrophobicContact CD1-CZ 4.26Å; F287-F331 AromaticContact CE1-CZ 3.93Å; F287-F331 HydrophobicContact CE1-CZ 3.93Å; V312-F331 HydrophobicContact CB-CD2 4.42Å; V312-F331 HydrophobicContact CG1-CD2 4Å; V312-F331 HydrophobicContact CG1-CE2 3.87Å; V312-F331 HydrophobicContact CG2-CD2 3.9Å; V312-F331 HydrophobicContact CG2-CE2 4.24Å; L323-F331 HydrophobicContact CD2-CB 4.39Å; F326-F331 HydrophobicContact CD2-CB 4Å; F326-F331 HydrophobicContact CD2-CD2 4.36Å; F326-F331 HydrophobicContact CD2-CG 4.28Å; F326-F331 HydrophobicContact CE2-CB 3.58Å; F326-F331 HydrophobicContact CE2-CD1 4.07Å; F326-F331 AromaticContact CE2-CD2 3.96Å; F326-F331 HydrophobicContact CE2-CD2 3.96Å; F326-F331 AromaticContact CE2-CG 3.61Å; F326-F331 HydrophobicContact CE2-CG 3.61Å; F326-F331 HydrophobicContact CZ-CB 4.33Å; F326-F331 HydrophobicContact CZ-CG 4.47Å; S327-F331 WeakPolarHBondContact O-CB 3.21Å; S327-F331 PolarHBondContact O-N 3.46Å; D329-F331 VanDerWaalsContact C-N 3.33Å; D329-F331 PolarHBondContact O-N 2.87Å; F331-F334 PolarHBondContact O-N 2.83Å; F331-L335 HydrophobicContact CD1-CD1 4.33Å; F331-L335 HydrophobicContact CD2-CG 4.39Å; F331-L335 HydrophobicContact CE1-CD1 3.74Å; F331-L335 HydrophobicContact CE2-CD1 4.05Å; F331-L335 HydrophobicContact CE2-CD2 4.09Å; F331-L335 HydrophobicContact CE2-CG 4.08Å; F331-L335 HydrophobicContact CZ-CD1 3.6Å; F331-L335 HydrophobicContact CZ-CD2 4.37Å; F331-L335 HydrophobicContact CZ-CG 4.16Å; F331-L335 WeakPolarHBondContact O-CG 3.4Å; F331-L335 PolarHBondContact O-N 3.19Å
332	S	95.3	Very high	95.1	Very high	35 Å²	35	60.1 Å²	60.1	25%	0.245	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-42.3	179.9	-55.8	0	0	0	0	111.9	L328 D329 N336	L328-S332 WeakPolarHBondContact O-CB 3.47Å; L328-S332 PolarHBondContact O-N 3Å; L328-S332 PolarHBondContact O-OG 3.49Å; D329-S332 PolarHBondContact O-N 3.38Å; S332-N336 PolarHBondContact O-N 3.12Å; S332-N336 VanDerWaalsContact O-N 3.09Å; S332-N336 PolarHBondContact O-ND2 2.89Å; S332-N336 PolarHBondContact O-OD1 2.89Å
333	D	96.4	Very high	95.1	Very high	75 Å²	75	58.7 Å²	58.7	40%	0.401	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-44.4	173.9	178.4	61.1	0	0	0	111.9	D329 L335 N336 K337	D329-D333 WeakPolarHBondContact O-CB 3.38Å; D329-D333 PolarHBondContact O-N 2.82Å; D333-L335 PolarHBondContact O-N 3.49Å; D333-N336 PolarHBondContact O-N 3.05Å; D333-K337 WeakPolarHBondContact O-CG 3.39Å; D333-K337 PolarHBondContact O-N 3.4Å; D333-K337 VanDerWaalsContact OD1-CE 3.26Å; D333-K337 WeakPolarHBondContact OD1-CE 3.37Å; D333-K337 IonicContact OD1-NZ 2.77Å; D333-K337 PolarHBondContact OD1-NZ 3.35Å; D333-K337 VanDerWaalsContact OD2-CE 3.25Å; D333-K337 WeakPolarHBondContact OD2-CE 3.12Å; D333-K337 IonicContact OD2-NZ 3.16Å; D333-K337 PolarHBondContact OD2-NZ 3.33Å
334	F	97.6	Very high	94.9	Very high	10 Å²	10	63.3 Å²	63.3	4%	0.044	35%	0.349	C	S	.	.	H	α-helix	trans	-60.1	-46	177.9	180	-117.5	0	0	0	112.5	V312 I314 L323 A330 F331 K337 F338 L343	V312-F334 HydrophobicContact CB-CE1 4.43Å; V312-F334 HydrophobicContact CG1-CD1 4.17Å; V312-F334 HydrophobicContact CG1-CE1 3.91Å; I314-F334 HydrophobicContact CD1-CD1 4.1Å; I314-F334 HydrophobicContact CD1-CE1 3.63Å; I314-F334 HydrophobicContact CD1-CZ 3.99Å; I314-F334 HydrophobicContact CG1-CD1 4.36Å; I314-F334 HydrophobicContact CG1-CE1 3.48Å; I314-F334 VanDerWaalsContact CG1-CE1 3.48Å; I314-F334 HydrophobicContact CG1-CZ 3.83Å; L323-F334 HydrophobicContact CB-CB 4.33Å; L323-F334 HydrophobicContact CB-CD1 3.81Å; L323-F334 HydrophobicContact CB-CD2 3.87Å; L323-F334 HydrophobicContact CB-CE1 3.94Å; L323-F334 HydrophobicContact CB-CE2 4.02Å; L323-F334 HydrophobicContact CB-CG 3.76Å; L323-F334 HydrophobicContact CB-CZ 4.07Å; L323-F334 HydrophobicContact CD2-CB 3.93Å; L323-F334 HydrophobicContact CD2-CD1 4.3Å; L323-F334 HydrophobicContact CD2-CG 4.2Å; L323-F334 HydrophobicContact CG-CG 4.47Å; A330-F334 WeakPolarHBondContact O-CB 3.47Å; A330-F334 PolarHBondContact O-N 2.62Å; F331-F334 PolarHBondContact O-N 2.83Å; F334-K337 PolarHBondContact O-N 2.9Å; F334-F338 PolarHBondContact O-N 3.17Å; F334-L343 HydrophobicContact CD2-CD1 3.6Å; F334-L343 HydrophobicContact CD2-CD2 3.85Å; F334-L343 HydrophobicContact CD2-CG 4.4Å; F334-L343 HydrophobicContact CE2-CD1 3.38Å; F334-L343 HydrophobicContact CE2-CD2 4.12Å; F334-L343 HydrophobicContact CE2-CG 4.4Å; F334-L343 HydrophobicContact CG-CD1 4.42Å; F334-L343 HydrophobicContact CZ-CD1 4.06Å
335	L	97.2	Very high	95.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-41.2	175.4	-64.6	-177.2	0	0	0	112.3	V249 F282 L285 F287 I314 F331 D333 F338 E339	V249-L335 HydrophobicContact CG1-CD2 4.07Å; V249-L335 HydrophobicContact CG2-CD2 3.88Å; F282-L335 HydrophobicContact CD1-CB 3.98Å; F282-L335 HydrophobicContact CD1-CD1 4.15Å; F282-L335 HydrophobicContact CD2-CD1 4.08Å; F282-L335 HydrophobicContact CE1-CB 3.41Å; F282-L335 VanDerWaalsContact CE1-CB 3.41Å; F282-L335 HydrophobicContact CE1-CD1 4.01Å; F282-L335 HydrophobicContact CE1-CG 4.37Å; F282-L335 HydrophobicContact CE2-CD1 3.92Å; F282-L335 HydrophobicContact CG-CD1 4.18Å; F282-L335 HydrophobicContact CZ-CB 3.77Å; F282-L335 HydrophobicContact CZ-CD1 3.88Å; L285-L335 HydrophobicContact CD1-CD2 4.05Å; F287-L335 HydrophobicContact CE1-CD1 3.88Å; F287-L335 HydrophobicContact CE1-CD2 4.04Å; F287-L335 HydrophobicContact CZ-CD1 4.09Å; F287-L335 HydrophobicContact CZ-CD2 4.42Å; I314-L335 HydrophobicContact CD1-CD2 4.23Å; F331-L335 HydrophobicContact CD1-CD1 4.33Å; F331-L335 HydrophobicContact CD2-CG 4.39Å; F331-L335 HydrophobicContact CE1-CD1 3.74Å; F331-L335 HydrophobicContact CE2-CD1 4.05Å; F331-L335 HydrophobicContact CE2-CD2 4.09Å; F331-L335 HydrophobicContact CE2-CG 4.08Å; F331-L335 HydrophobicContact CZ-CD1 3.6Å; F331-L335 HydrophobicContact CZ-CD2 4.37Å; F331-L335 HydrophobicContact CZ-CG 4.16Å; F331-L335 WeakPolarHBondContact O-CG 3.4Å; F331-L335 PolarHBondContact O-N 3.19Å; D333-L335 PolarHBondContact O-N 3.49Å; L335-F338 WeakPolarHBondContact O-CB 3.27Å; L335-F338 PolarHBondContact O-N 2.92Å; L335-E339 WeakPolarHBondContact O-CG 3.42Å; L335-E339 PolarHBondContact O-N 2.84Å
336	N	96.3	Very high	95.6	Very high	37 Å²	37	55.6 Å²	55.6	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-47	178.6	-64.1	-28.4	0	0	0	111.3	K281 S332 D333 F338 E339 D340	K281-N336 WeakPolarHBondContact CE-OD1 3.32Å; K281-N336 PolarHBondContact NZ-ND2 2.83Å; K281-N336 PolarHBondContact NZ-OD1 2.75Å; S332-N336 PolarHBondContact O-N 3.12Å; S332-N336 VanDerWaalsContact O-N 3.09Å; S332-N336 PolarHBondContact O-ND2 2.89Å; S332-N336 PolarHBondContact O-OD1 2.89Å; D333-N336 PolarHBondContact O-N 3.05Å; N336-F338 PolarHBondContact O-N 2.89Å; N336-E339 PolarHBondContact O-N 3.48Å; N336-D340 WeakPolarHBondContact O-CB 3.5Å; N336-D340 PolarHBondContact O-N 3.07Å
337	K	97.8	Very high	95.5	Very high	80 Å²	80	57.3 Å²	57.3	35%	0.348	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-31.5	176.5	-74	173.3	175.6	164.7	0	112.4	D333 F334 G341 L342 L343	D333-K337 WeakPolarHBondContact O-CG 3.39Å; D333-K337 PolarHBondContact O-N 3.4Å; D333-K337 VanDerWaalsContact OD1-CE 3.26Å; D333-K337 WeakPolarHBondContact OD1-CE 3.37Å; D333-K337 IonicContact OD1-NZ 2.77Å; D333-K337 PolarHBondContact OD1-NZ 3.35Å; D333-K337 VanDerWaalsContact OD2-CE 3.25Å; D333-K337 WeakPolarHBondContact OD2-CE 3.12Å; D333-K337 IonicContact OD2-NZ 3.16Å; D333-K337 PolarHBondContact OD2-NZ 3.33Å; F334-K337 PolarHBondContact O-N 2.9Å; K337-G341 PolarHBondContact O-N 3.48Å; K337-L342 HydrophobicContact CB-CB 4.16Å; K337-L342 HydrophobicContact CG-CB 4.33Å; K337-L342 PolarHBondContact O-N 3.38Å; K337-L343 HydrophobicContact CB-CD2 3.54Å; K337-L343 HydrophobicContact CB-CG 3.77Å; K337-L343 HydrophobicContact CD-CD2 4.14Å; K337-L343 HydrophobicContact CG-CD2 4.49Å; K337-L343 PolarHBondContact O-N 3.3Å
338	F	97.3	Very high	95.4	Very high	24 Å²	24	56.9 Å²	56.9	11%	0.105	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-52.8	173.8	179.7	-99.5	0	0	0	111.4	D247 L285 I314 Y321 F334 L335 N336 D340 G341 L343	D247-F338 HydrophobicContact CB-CE1 4.23Å; D247-F338 HydrophobicContact CB-CZ 4.24Å; L285-F338 HydrophobicContact CD1-CD1 4.49Å; L285-F338 HydrophobicContact CD2-CD1 3.86Å; L285-F338 HydrophobicContact CD2-CE1 3.53Å; I314-F338 HydrophobicContact CB-CD2 4.31Å; I314-F338 HydrophobicContact CB-CE2 4.36Å; I314-F338 HydrophobicContact CD1-CB 3.51Å; I314-F338 HydrophobicContact CD1-CD1 4.04Å; I314-F338 HydrophobicContact CD1-CD2 3.69Å; I314-F338 HydrophobicContact CD1-CE2 4.46Å; I314-F338 HydrophobicContact CD1-CG 3.44Å; I314-F338 VanDerWaalsContact CD1-CG 3.44Å; I314-F338 HydrophobicContact CG2-CD1 4.39Å; I314-F338 HydrophobicContact CG2-CD2 3.93Å; I314-F338 HydrophobicContact CG2-CE1 4.13Å; I314-F338 HydrophobicContact CG2-CE2 3.62Å; I314-F338 HydrophobicContact CG2-CG 4.31Å; I314-F338 HydrophobicContact CG2-CZ 3.73Å; Y321-F338 AromaticContact CD2-CD2 3.96Å; Y321-F338 HydrophobicContact CD2-CD2 3.96Å; Y321-F338 AromaticContact CD2-CE2 3.78Å; Y321-F338 HydrophobicContact CD2-CE2 3.78Å; Y321-F338 AromaticContact CE2-CD2 3.99Å; Y321-F338 HydrophobicContact CE2-CD2 3.99Å; Y321-F338 AromaticContact CE2-CE2 3.53Å; Y321-F338 HydrophobicContact CE2-CE2 3.53Å; Y321-F338 HydrophobicContact CG-CD2 4.38Å; F334-F338 PolarHBondContact O-N 3.17Å; L335-F338 WeakPolarHBondContact O-CB 3.27Å; L335-F338 PolarHBondContact O-N 2.92Å; N336-F338 PolarHBondContact O-N 2.89Å; F338-D340 PolarHBondContact O-N 2.96Å; F338-G341 PolarHBondContact O-N 2.86Å; F338-L343 HydrophobicContact CB-CD1 3.67Å; F338-L343 HydrophobicContact CB-CG 4.41Å; F338-L343 HydrophobicContact CD2-CD1 4.2Å; F338-L343 HydrophobicContact CG-CD1 4.43Å
339	E	95.4	Very high	95.4	Very high	68 Å²	68	56 Å²	56	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-36.3	178.3	-70.1	-74.9	175.5	0	0	112	F282 L285 L335 N336 G341	F282-E339 HydrophobicContact CD1-CG 4.28Å; L285-E339 WeakPolarHBondContact CG-OE1 3.44Å; L335-E339 WeakPolarHBondContact O-CG 3.42Å; L335-E339 PolarHBondContact O-N 2.84Å; N336-E339 PolarHBondContact O-N 3.48Å; E339-G341 PolarHBondContact O-N 2.98Å
340	D	95.8	Very high	95.3	Very high	115 Å²	115	51.9 Å²	51.9	62%	0.615	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-3	177.4	-63.8	-24.9	0	0	0	113.2	N336 F338 L342	N336-D340 WeakPolarHBondContact O-CB 3.5Å; N336-D340 PolarHBondContact O-N 3.07Å; F338-D340 PolarHBondContact O-N 2.96Å; D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 HydrophobicContact CB-CD1 3.81Å; D340-L342 HydrophobicContact CB-CG 3.82Å; D340-L342 PolarHBondContact O-N 3.23Å
341	G	95.8	Very high	95.1	Very high	65 Å²	65	55.6 Å²	55.6	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.6	-178.8	0	0	0	0	0	114.6	K337 F338 E339	K337-G341 PolarHBondContact O-N 3.48Å; F338-G341 PolarHBondContact O-N 2.86Å; E339-G341 PolarHBondContact O-N 2.98Å
342	L	97.4	Very high	95	Very high	120 Å²	120	60.3 Å²	60.3	63%	0.628	35%	0.345	S	S	*	.			trans	-94.7	-6.4	-174	-62.3	177.3	0	0	0	114.2	K337 D340	K337-L342 HydrophobicContact CB-CB 4.16Å; K337-L342 HydrophobicContact CG-CB 4.33Å; K337-L342 PolarHBondContact O-N 3.38Å; D340-L342 VanDerWaalsContact C-N 3.28Å; D340-L342 HydrophobicContact CB-CD1 3.81Å; D340-L342 HydrophobicContact CB-CG 3.82Å; D340-L342 PolarHBondContact O-N 3.23Å
343	L	96.7	Very high	94.9	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.173	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-81.2	139.4	176.4	-66.2	-178.5	0	0	0	112	I314 Y321 F334 K337 F338	I314-L343 HydrophobicContact CD1-CD1 4.43Å; Y321-L343 HydrophobicContact CD1-CB 3.46Å; Y321-L343 VanDerWaalsContact CD1-CB 3.46Å; Y321-L343 HydrophobicContact CD1-CD1 4.03Å; Y321-L343 HydrophobicContact CD1-CG 4.43Å; Y321-L343 HydrophobicContact CE1-CB 3.68Å; Y321-L343 WeakPolarHBondContact CE1-O 3.46Å; Y321-L343 HydrophobicContact CG-CB 4.4Å; Y321-L343 HydrophobicContact CG-CD1 4.2Å; F334-L343 HydrophobicContact CD2-CD1 3.6Å; F334-L343 HydrophobicContact CD2-CD2 3.85Å; F334-L343 HydrophobicContact CD2-CG 4.4Å; F334-L343 HydrophobicContact CE2-CD1 3.38Å; F334-L343 HydrophobicContact CE2-CD2 4.12Å; F334-L343 HydrophobicContact CE2-CG 4.4Å; F334-L343 HydrophobicContact CG-CD1 4.42Å; F334-L343 HydrophobicContact CZ-CD1 4.06Å; K337-L343 HydrophobicContact CB-CD2 3.54Å; K337-L343 HydrophobicContact CB-CG 3.77Å; K337-L343 HydrophobicContact CD-CD2 4.14Å; K337-L343 HydrophobicContact CG-CD2 4.49Å; K337-L343 PolarHBondContact O-N 3.3Å; F338-L343 HydrophobicContact CB-CD1 3.67Å; F338-L343 HydrophobicContact CB-CG 4.41Å; F338-L343 HydrophobicContact CD2-CD1 4.2Å; F338-L343 HydrophobicContact CG-CD1 4.43Å
344	T	92	Very high	94.7	Very high	126 Å²	126	64.5 Å²	64.5	77%	0.773	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-81.4	130.8	166.8	-50.6	0	0	0	0	109.6	Y321 H346	Y321-T344 WeakPolarHBondContact CD1-O 3.32Å; T344-H346 PolarHBondContact O-N 2.97Å
345	P	93.9	Very high	94.2	Very high	50 Å²	50	69.1 Å²	69.1	33%	0.325	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-57.5	135.8	172.8	-24.9	35.1	0	0	0	111.9	K319 K320 Y321	K319-P345 HydrophobicContact CB-CB 4.46Å; K319-P345 HydrophobicContact CB-CG 4.46Å; K319-P345 HydrophobicContact CD-CG 4.04Å; K319-P345 HydrophobicContact CG-CG 4.29Å; K320-P345 CarbonylContact O-C 3.55Å; K320-P345 VanDerWaalsContact O-CA 3.26Å; K320-P345 WeakPolarHBondContact O-CA 3.26Å; Y321-P345 HydrophobicContact CE1-CB 4.25Å; Y321-P345 HydrophobicContact CE1-CG 3.89Å
346	H	93	Very high	93.5	Very high	30 Å²	30	74.1 Å²	74.1	14%	0.139	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-62.3	134.2	166.4	173.6	69.5	0	0	0	109.7	D301 Y302 K320 K322 T344	D301-H346 PolarHBondContact O-NE2 3.46Å; D301-H346 VanDerWaalsContact O-NE2 3.13Å; Y302-H346 WeakPolarHBondContact CA-NE2 3.39Å; Y302-H346 PolarHBondContact O-CE1 2.86Å; Y302-H346 PolarHBondContact O-NE2 3.14Å; K320-H346 HydrophobicContact CB-CB 4.35Å; K320-H346 PolarHBondContact O-N 3.31Å; K322-H346 WeakPolarHBondContact CD-ND1 3.31Å; K322-H346 WeakPolarHBondContact CE-ND1 3.23Å; K322-H346 HydrophobicContact CG-CB 4.29Å; T344-H346 PolarHBondContact O-N 2.97Å
347	V	91.6	Very high	93.1	Very high	63 Å²	63	76.5 Å²	76.5	38%	0.382	44%	0.444	S	S	.	.			trans	-124	124.8	173.4	-175.9	0	0	0	0	106.5	S349 A365 D422	V347-S349 PolarHBondContact O-N 3.02Å; V347-A365 HydrophobicContact CG1-CB 3.39Å; V347-D422 HydrophobicContact CG1-CB 3.76Å
348	K	92.1	Very high	92.8	Very high	46 Å²	46	74.9 Å²	74.9	20%	0.2	44%	0.443	C	S	.	.			trans	-62.5	120.1	174.2	-171.4	-173.2	-178.6	-173.4	0	108.2	A365 T419 N421 D422	K348-A365 WeakPolarHBondContact O-CB 3.31Å; K348-T419 PolarHBondContact NZ-O 2.81Å; K348-N421 CarbonylContact O-C 3.58Å; K348-N421 VanDerWaalsContact O-CA 3.32Å; K348-N421 WeakPolarHBondContact O-CA 3.46Å; K348-D422 HydrophobicContact CB-CB 4.32Å; K348-D422 VanDerWaalsContact CB-CG 3.47Å; K348-D422 WeakPolarHBondContact CB-OD1 3.46Å; K348-D422 WeakPolarHBondContact CB-OD2 3.29Å; K348-D422 PolarHBondContact N-OD2 2.94Å; K348-D422 PolarHBondContact O-N 3.25Å
349	S	93.8	Very high	92.7	Very high	32 Å²	32	74.6 Å²	74.6	22%	0.224	45%	0.445	C	S	.	.			trans	-149.4	143.5	-178.2	-167.3	0	0	0	0	110.5	V347 V364 A365 L366 N421	V347-S349 PolarHBondContact O-N 3.02Å; S349-V364 WeakPolarHBondContact OG-CB 3.37Å; S349-A365 PolarHBondContact OG-N 3.47Å; S349-A365 VanDerWaalsContact OG-N 3.09Å; S349-L366 WeakPolarHBondContact OG-CG 3.14Å; S349-L366 PolarHBondContact OG-N 3.1Å; S349-N421 WeakPolarHBondContact CA-OD1 3.19Å; S349-N421 PolarHBondContact OG-OD1 2.96Å
350	E	93	Very high	92.9	Very high	50 Å²	50	71.7 Å²	71.7	23%	0.234	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.2	159.8	155.3	-69.1	174.6	84.6	0	0	110.2	K362 V364 A420 N421	E350-K362 IonicContact OE1-NZ 2.7Å; E350-K362 PolarHBondContact OE1-NZ 2.78Å; E350-K362 IonicContact OE2-NZ 3.18Å; E350-V364 HydrophobicContact CB-CB 4.3Å; E350-V364 HydrophobicContact CB-CG1 3.7Å; E350-A420 HydrophobicContact CG-CB 3.78Å; E350-N421 PolarHBondContact N-OD1 2.75Å; E350-N421 PolarHBondContact OE2-ND2 2.79Å
351	P	92.1	Very high	92.9	Very high	107 Å²	107	69.3 Å²	69.3	70%	0.695	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.4	153.4	169	-22.6	33.5	0	0	0	111.6
352	L	94.3	Very high	93	Very high	100 Å²	100	70.8 Å²	70.8	52%	0.524	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-53.1	134.7	172	-70.8	172.7	0	0	0	110.1	T354 V364 L366 N367	L352-T354 PolarHBondContact O-N 2.94Å; L352-V364 HydrophobicContact CD2-CG2 4.06Å; L352-L366 HydrophobicContact CD2-CB 3.84Å; L352-L366 HydrophobicContact CG-CB 4.44Å; L352-N367 HydrophobicContact CD2-CB 3.79Å
353	P	93.8	Very high	93	Very high	46 Å²	46	65.1 Å²	65.1	30%	0.299	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.1	175.9	-22.3	31	0	0	0	111.2	K362 V364	P353-K362 HydrophobicContact CB-CB 4.32Å; P353-K362 HydrophobicContact CB-CD 4.43Å; P353-K362 HydrophobicContact CG-CB 3.88Å; P353-K362 HydrophobicContact CG-CD 4.11Å; P353-K362 HydrophobicContact CG-CG 3.99Å; P353-K362 WeakPolarHBondContact CG-O 3.47Å; P353-V364 HydrophobicContact CG-CG1 4.4Å
354	T	91.5	Very high	93	Very high	152 Å²	152	63.5 Å²	63.5	93%	0.933	37%	0.366	S	S	*	.	S	Bend	trans	-95.6	-11.3	176.5	56.7	0	0	0	0	113.1	L352	L352-T354 PolarHBondContact O-N 2.94Å
355	D	87	Confident	93.2	Very high	108 Å²	108	58.3 Å²	58.3	58%	0.578	34%	0.335	S	S	*	.			trans	-123.7	137	178.6	-176.7	16.4	0	0	0	109.6	S357	D355-S357 VanDerWaalsContact CG-OG 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.3Å; D355-S357 PolarHBondContact OD1-N 3.31Å; D355-S357 PolarHBondContact OD1-OG 2.87Å; D355-S357 PolarHBondContact OD2-OG 3.13Å
356	D	82.7	Confident	93.2	Very high	104 Å²	104	61.3 Å²	61.3	56%	0.556	35%	0.348	S	S	*	.			trans	-125.3	24.1	-179.7	-163.6	24.7	0	0	0	111.6	K361	D356-K361 WeakPolarHBondContact OD1-CD 3.13Å; D356-K361 IonicContact OD1-NZ 2.68Å; D356-K361 PolarHBondContact OD1-NZ 2.86Å; D356-K361 IonicContact OD2-NZ 2.78Å; D356-K361 PolarHBondContact OD2-NZ 3.12Å
357	S	87.8	Confident	93.3	Very high	87 Å²	87	60.5 Å²	60.5	61%	0.608	35%	0.345	S	S	*	.			trans	-69.5	-30	-178.9	64.3	0	0	0	0	113.9	D355	D355-S357 VanDerWaalsContact CG-OG 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.3Å; D355-S357 PolarHBondContact OD1-N 3.31Å; D355-S357 PolarHBondContact OD1-OG 2.87Å; D355-S357 PolarHBondContact OD2-OG 3.13Å
358	S	92.6	Very high	93.6	Very high	47 Å²	47	57.6 Å²	57.6	33%	0.329	33%	0.327	S	S	.	.	S	Bend	trans	-67.8	146	178.6	173.1	0	0	0	0	111.7	V360 E399	S358-V360 VanDerWaalsContact C-N 3.28Å; S358-V360 PolarHBondContact OG-N 3.3Å; S358-V360 PolarHBondContact OG-O 2.86Å; S358-V360 VanDerWaalsContact OG-O 3.09Å; S358-E399 PolarHBondContact OG-OE1 2.75Å; S358-E399 PolarHBondContact OG-OE2 2.88Å; S358-E399 VanDerWaalsContact OG-OE2 3.06Å
359	A	95.3	Very high	93.7	Very high	17 Å²	17	60.6 Å²	60.6	14%	0.14	35%	0.345	C	S	.	.	S	Bend	trans	-71.4	-27.4	173.2	0	0	0	0	0	111.7	E399 A402 S403	A359-E399 PolarHBondContact N-OE1 3.25Å; A359-A402 HydrophobicContact CB-CB 3.77Å; A359-S403 WeakPolarHBondContact CB-OG 3.27Å
360	V	97.9	Very high	93.9	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.042	37%	0.368	C	S	.	.	S	Bend	trans	-88.5	121	172.5	178.1	0	0	0	0	109.2	S358 K362 Y398 E399 A402 L413 A415	S358-V360 VanDerWaalsContact C-N 3.28Å; S358-V360 PolarHBondContact OG-N 3.3Å; S358-V360 PolarHBondContact OG-O 2.86Å; S358-V360 VanDerWaalsContact OG-O 3.09Å; V360-K362 PolarHBondContact O-N 3.44Å; V360-Y398 HydrophobicContact CG1-CD1 4.08Å; V360-Y398 HydrophobicContact CG1-CE1 3.88Å; V360-Y398 HydrophobicContact CG2-CD1 3.62Å; V360-Y398 HydrophobicContact CG2-CE1 3.93Å; V360-E399 VanDerWaalsContact CB-OE2 3.27Å; V360-E399 WeakPolarHBondContact CB-OE2 3.41Å; V360-E399 WeakPolarHBondContact CG2-OE2 3.34Å; V360-E399 PolarHBondContact N-OE1 3.34Å; V360-A402 HydrophobicContact CG2-CB 3.51Å; V360-L413 CarbonylContact C-O 3.58Å; V360-L413 WeakPolarHBondContact CA-O 3.21Å; V360-A415 HydrophobicContact CG1-CB 3.59Å
361	K	97.5	Very high	94	Very high	65 Å²	65	65.4 Å²	65.4	28%	0.283	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123	176	-62.4	-60.6	-179.1	-173.5	0	110.4	D356 L363 V412 L413 A414 A415	D356-K361 WeakPolarHBondContact OD1-CD 3.13Å; D356-K361 IonicContact OD1-NZ 2.68Å; D356-K361 PolarHBondContact OD1-NZ 2.86Å; D356-K361 IonicContact OD2-NZ 2.78Å; D356-K361 PolarHBondContact OD2-NZ 3.12Å; K361-L363 PolarHBondContact O-N 3.08Å; K361-V412 HydrophobicContact CB-CG1 4.38Å; K361-V412 HydrophobicContact CG-CG1 3.84Å; K361-L413 PolarHBondContact N-O 2.88Å; K361-A414 HydrophobicContact CB-CB 4.04Å; K361-A414 CarbonylContact O-C 3.48Å; K361-A414 WeakPolarHBondContact O-CA 3.31Å; K361-A414 WeakPolarHBondContact O-CB 3.48Å; K361-A415 PolarHBondContact O-N 3.13Å
362	K	97.4	Very high	94.3	Very high	97 Å²	97	60.3 Å²	60.3	42%	0.422	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.3	171.7	-175.5	178.2	178.6	-175.3	0	109.4	E350 P353 V360 N367	E350-K362 IonicContact OE1-NZ 2.7Å; E350-K362 PolarHBondContact OE1-NZ 2.78Å; E350-K362 IonicContact OE2-NZ 3.18Å; P353-K362 HydrophobicContact CB-CB 4.32Å; P353-K362 HydrophobicContact CB-CD 4.43Å; P353-K362 HydrophobicContact CG-CB 3.88Å; P353-K362 HydrophobicContact CG-CD 4.11Å; P353-K362 HydrophobicContact CG-CG 3.99Å; P353-K362 WeakPolarHBondContact CG-O 3.47Å; V360-K362 PolarHBondContact O-N 3.44Å; K362-N367 PolarHBondContact O-ND2 2.77Å; K362-N367 VanDerWaalsContact O-ND2 3.14Å
363	L	98	Very high	94.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.4	173.3	-62.6	176.6	0	0	0	110.4	K361 N367 F368 I371 V372 V381 A414 A415 M416	K361-L363 PolarHBondContact O-N 3.08Å; L363-N367 WeakPolarHBondContact CA-OD1 3.38Å; L363-F368 HydrophobicContact CB-CD2 4.49Å; L363-F368 HydrophobicContact CD1-CD2 4.03Å; L363-F368 HydrophobicContact CD1-CE2 4.01Å; L363-I371 HydrophobicContact CD2-CB 3.77Å; L363-I371 HydrophobicContact CD2-CD1 3.74Å; L363-I371 HydrophobicContact CD2-CG1 4.33Å; L363-I371 HydrophobicContact CD2-CG2 3.76Å; L363-V372 HydrophobicContact CD1-CG2 3.52Å; L363-V372 HydrophobicContact CD2-CG2 4.02Å; L363-V372 HydrophobicContact CG-CG2 4.44Å; L363-V381 HydrophobicContact CD1-CB 4.42Å; L363-V381 HydrophobicContact CD1-CG2 3.51Å; L363-A414 HydrophobicContact CD1-CB 3.62Å; L363-A414 HydrophobicContact CD2-CB 4.08Å; L363-A414 HydrophobicContact CG-CB 3.71Å; L363-A415 PolarHBondContact N-O 2.92Å; L363-M416 HydrophobicContact CB-CB 3.82Å; L363-M416 HydrophobicContact CB-CG 4.12Å; L363-M416 HydrophobicContact CD1-CB 4.45Å
364	V	96.9	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.32	C	S	.	.			trans	-126.6	165.3	166.1	-56	0	0	0	0	107	S349 E350 L352 P353 L366 N367 F368 N421	S349-V364 WeakPolarHBondContact OG-CB 3.37Å; E350-V364 HydrophobicContact CB-CB 4.3Å; E350-V364 HydrophobicContact CB-CG1 3.7Å; L352-V364 HydrophobicContact CD2-CG2 4.06Å; P353-V364 HydrophobicContact CG-CG1 4.4Å; V364-L366 HydrophobicContact CG2-CB 4.17Å; V364-L366 PolarHBondContact O-N 3.31Å; V364-L366 VanDerWaalsContact O-N 3.11Å; V364-N367 HydrophobicContact CG2-CB 4.49Å; V364-N367 PolarHBondContact N-OD1 2.68Å; V364-N367 PolarHBondContact O-N 3.19Å; V364-N367 PolarHBondContact O-OD1 3.48Å; V364-F368 PolarHBondContact O-N 3.47Å; V364-N421 VanDerWaalsContact CA-OD1 3.31Å; V364-N421 WeakPolarHBondContact CA-OD1 3.46Å; V364-N421 WeakPolarHBondContact CB-OD1 3.15Å
365	A	95	Very high	94.8	Very high	16 Å²	16	56.2 Å²	56.2	13%	0.132	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.6	-175.2	0	0	0	0	0	112.6	V347 K348 S349 M416 N421	V347-A365 HydrophobicContact CG1-CB 3.39Å; K348-A365 WeakPolarHBondContact O-CB 3.31Å; S349-A365 PolarHBondContact OG-N 3.47Å; S349-A365 VanDerWaalsContact OG-N 3.09Å; A365-M416 HydrophobicContact CB-CE 4.18Å; A365-N421 HydrophobicContact CB-CB 4.26Å; A365-N421 PolarHBondContact N-OD1 3.3Å
366	L	93.2	Very high	95.3	Very high	113 Å²	113	57.1 Å²	57.1	59%	0.592	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.1	180	-64.7	172.3	0	0	0	115.5	S349 L352 V364	S349-L366 WeakPolarHBondContact OG-CG 3.14Å; S349-L366 PolarHBondContact OG-N 3.1Å; L352-L366 HydrophobicContact CD2-CB 3.84Å; L352-L366 HydrophobicContact CG-CB 4.44Å; V364-L366 HydrophobicContact CG2-CB 4.17Å; V364-L366 PolarHBondContact O-N 3.31Å; V364-L366 VanDerWaalsContact O-N 3.11Å
367	N	96.3	Very high	96	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.07	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2.5	179.1	71.6	-6	0	0	0	113.1	L352 K362 L363 V364 D369 E370 I371	L352-N367 HydrophobicContact CD2-CB 3.79Å; K362-N367 PolarHBondContact O-ND2 2.77Å; K362-N367 VanDerWaalsContact O-ND2 3.14Å; L363-N367 WeakPolarHBondContact CA-OD1 3.38Å; V364-N367 HydrophobicContact CG2-CB 4.49Å; V364-N367 PolarHBondContact N-OD1 2.68Å; V364-N367 PolarHBondContact O-N 3.19Å; V364-N367 PolarHBondContact O-OD1 3.48Å; N367-D369 PolarHBondContact O-N 3.09Å; N367-E370 PolarHBondContact O-N 3.3Å; N367-I371 HydrophobicContact CB-CD1 4.16Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.22Å; N367-I371 PolarHBondContact O-N 3.41Å
368	F	97.3	Very high	96.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-47.3	-174.6	-168.8	-78.8	0	0	0	111.8	L363 V364 I371 V372 V381 F383 M416 P424 Y427	L363-F368 HydrophobicContact CB-CD2 4.49Å; L363-F368 HydrophobicContact CD1-CD2 4.03Å; L363-F368 HydrophobicContact CD1-CE2 4.01Å; V364-F368 PolarHBondContact O-N 3.47Å; F368-I371 PolarHBondContact O-N 3.02Å; F368-V372 HydrophobicContact CD1-CB 3.96Å; F368-V372 HydrophobicContact CD1-CG2 4.06Å; F368-V372 HydrophobicContact CD2-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CB 3.63Å; F368-V372 HydrophobicContact CE1-CG1 3.77Å; F368-V372 HydrophobicContact CE1-CG2 3.86Å; F368-V372 HydrophobicContact CE2-CG2 3.91Å; F368-V372 HydrophobicContact CG-CG2 4.18Å; F368-V372 HydrophobicContact CZ-CB 3.98Å; F368-V372 HydrophobicContact CZ-CG1 3.89Å; F368-V372 HydrophobicContact CZ-CG2 3.78Å; F368-V372 VanDerWaalsContact O-CB 3.27Å; F368-V372 WeakPolarHBondContact O-CB 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.97Å; F368-V372 PolarHBondContact O-N 3.04Å; F368-V381 HydrophobicContact CE2-CG2 4.43Å; F368-F383 AromaticContact CE2-CE1 3.74Å; F368-F383 HydrophobicContact CE2-CE1 3.74Å; F368-F383 AromaticContact CE2-CZ 3.72Å; F368-F383 HydrophobicContact CE2-CZ 3.72Å; F368-F383 HydrophobicContact CZ-CE1 4.3Å; F368-F383 AromaticContact CZ-CZ 3.84Å; F368-F383 HydrophobicContact CZ-CZ 3.84Å; F368-M416 HydrophobicContact CD2-CE 4.24Å; F368-M416 HydrophobicContact CD2-SD 3.53Å; F368-M416 VanDerWaalsContact CD2-SD 3.53Å; F368-M416 HydrophobicContact CE2-SD 3.74Å; F368-P424 HydrophobicContact CB-CG 4.28Å; F368-P424 HydrophobicContact CD1-CB 4.35Å; F368-P424 HydrophobicContact CD1-CG 3.69Å; F368-P424 HydrophobicContact CD2-CG 4.35Å; F368-P424 HydrophobicContact CE1-CB 4.43Å; F368-P424 HydrophobicContact CE1-CG 4.1Å; F368-P424 HydrophobicContact CG-CG 3.83Å; F368-Y427 HydrophobicContact CE1-CD2 4.04Å; F368-Y427 AromaticContact CE1-CE2 3.44Å; F368-Y427 HydrophobicContact CE1-CE2 3.44Å; F368-Y427 VanDerWaalsContact CE1-CE2 3.44Å; F368-Y427 AromaticContact CZ-CD2 3.76Å; F368-Y427 HydrophobicContact CZ-CD2 3.76Å; F368-Y427 HydrophobicContact CZ-CE1 4.46Å; F368-Y427 AromaticContact CZ-CE2 3.44Å; F368-Y427 HydrophobicContact CZ-CE2 3.44Å; F368-Y427 VanDerWaalsContact CZ-CE2 3.44Å; F368-Y427 HydrophobicContact CZ-CG 4.45Å; F368-Y427 AromaticContact CZ-CZ 3.82Å
369	D	95.3	Very high	96.8	Very high	110 Å²	110	48.1 Å²	48.1	59%	0.588	24%	0.239	S	C	*	.	H	α-helix	trans	-63.2	-47.9	-178.4	-170.2	65.1	0	0	0	111.6	N367 I371 N373	N367-D369 PolarHBondContact O-N 3.09Å; D369-I371 VanDerWaalsContact C-N 3.28Å; D369-I371 PolarHBondContact O-N 3.42Å; D369-N373 WeakPolarHBondContact O-CA 3.38Å; D369-N373 VanDerWaalsContact O-CB 3.3Å; D369-N373 WeakPolarHBondContact O-CB 3.44Å; D369-N373 PolarHBondContact O-N 3.48Å; D369-N373 WeakPolarHBondContact OD1-CB 3.4Å; D369-N373 PolarHBondContact OD1-ND2 3.19Å
370	E	96.4	Very high	96.9	Very high	147 Å²	147	47.3 Å²	47.3	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-56.8	-40.3	179.1	-175.5	-173.7	164.1	0	0	112.7	N367	N367-E370 PolarHBondContact O-N 3.3Å
371	I	96.6	Very high	97	Very high	36 Å²	36	47 Å²	47	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-90.4	-51.3	-174.4	-63.4	172.3	0	0	0	111.5	L363 N367 F368 D369 V412	L363-I371 HydrophobicContact CD2-CB 3.77Å; L363-I371 HydrophobicContact CD2-CD1 3.74Å; L363-I371 HydrophobicContact CD2-CG1 4.33Å; L363-I371 HydrophobicContact CD2-CG2 3.76Å; N367-I371 HydrophobicContact CB-CD1 4.16Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.22Å; N367-I371 PolarHBondContact O-N 3.41Å; F368-I371 PolarHBondContact O-N 3.02Å; D369-I371 VanDerWaalsContact C-N 3.28Å; D369-I371 PolarHBondContact O-N 3.42Å; I371-V412 HydrophobicContact CG2-CG1 4.1Å
372	V	97.9	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-82.1	-40	-170.2	-175.4	0	0	0	0	111.5	L363 F368 N374 V379 Y427 V438 K443	L363-V372 HydrophobicContact CD1-CG2 3.52Å; L363-V372 HydrophobicContact CD2-CG2 4.02Å; L363-V372 HydrophobicContact CG-CG2 4.44Å; F368-V372 HydrophobicContact CD1-CB 3.96Å; F368-V372 HydrophobicContact CD1-CG2 4.06Å; F368-V372 HydrophobicContact CD2-CG2 4.1Å; F368-V372 HydrophobicContact CE1-CB 3.63Å; F368-V372 HydrophobicContact CE1-CG1 3.77Å; F368-V372 HydrophobicContact CE1-CG2 3.86Å; F368-V372 HydrophobicContact CE2-CG2 3.91Å; F368-V372 HydrophobicContact CG-CG2 4.18Å; F368-V372 HydrophobicContact CZ-CB 3.98Å; F368-V372 HydrophobicContact CZ-CG1 3.89Å; F368-V372 HydrophobicContact CZ-CG2 3.78Å; F368-V372 VanDerWaalsContact O-CB 3.27Å; F368-V372 WeakPolarHBondContact O-CB 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.97Å; F368-V372 PolarHBondContact O-N 3.04Å; V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 3.33Å; V372-V379 HydrophobicContact CG1-CG1 4.37Å; V372-V379 HydrophobicContact CG2-CG1 4.33Å; V372-Y427 WeakPolarHBondContact CG1-OH 3.44Å; V372-V438 HydrophobicContact CG1-CB 4.36Å; V372-V438 HydrophobicContact CG1-CG1 4.3Å; V372-V438 HydrophobicContact CG1-CG2 3.9Å; V372-K443 WeakPolarHBondContact O-CD 3.4Å; V372-K443 PolarHBondContact O-NZ 3.48Å
373	N	96	Very high	97.1	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	20%	0.197	S	C	.	.	S	Bend	trans	-89.1	11.2	-179.3	-62.9	-22.8	0	0	0	113.1	D369 E375 K443	D369-N373 WeakPolarHBondContact O-CA 3.38Å; D369-N373 VanDerWaalsContact O-CB 3.3Å; D369-N373 WeakPolarHBondContact O-CB 3.44Å; D369-N373 PolarHBondContact O-N 3.48Å; D369-N373 WeakPolarHBondContact OD1-CB 3.4Å; D369-N373 PolarHBondContact OD1-ND2 3.19Å; N373-E375 PolarHBondContact O-N 3.39Å; N373-K443 HydrophobicContact CB-CB 4.44Å; N373-K443 HydrophobicContact CB-CG 4.5Å
374	N	96.4	Very high	97.1	Very high	58 Å²	58	40.9 Å²	40.9	31%	0.31	20%	0.204	S	C	.	.			trans	-62.2	108.2	169.5	-173.9	-38.1	0	0	0	110.9	V372 E376 K377 K443	V372-N374 VanDerWaalsContact C-N 3.27Å; V372-N374 PolarHBondContact O-N 3.33Å; N374-E376 PolarHBondContact O-N 3.27Å; N374-E376 WeakPolarHBondContact OD1-CB 3.44Å; N374-E376 PolarHBondContact OD1-N 3.37Å; N374-K377 HydrophobicContact CB-CG 4.34Å; N374-K377 PolarHBondContact O-N 2.82Å; N374-K377 VanDerWaalsContact O-N 3.15Å; N374-K443 VanDerWaalsContact C-CE 3.46Å; N374-K443 WeakPolarHBondContact O-CE 3.42Å; N374-K443 PolarHBondContact O-NZ 3.1Å
375	E	97	Very high	97.1	Very high	105 Å²	105	40.9 Å²	40.9	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.1	-175.6	-69.3	-65.3	173.3	0	0	114.6	N373 K440 G441 K443	N373-E375 PolarHBondContact O-N 3.39Å; E375-K440 WeakPolarHBondContact O-CG 3.42Å; E375-G441 PolarHBondContact O-N 3.14Å; E375-G441 WeakPolarHBondContact OE2-CA 3.46Å; E375-G441 PolarHBondContact OE2-N 3.13Å; E375-K443 WeakPolarHBondContact OE1-CG 3.15Å
376	E	97.3	Very high	97	Very high	127 Å²	127	42.2 Å²	42.2	59%	0.593	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.2	-178.5	-56.1	-173.6	161.6	0	0	114	N374 K440	N374-E376 PolarHBondContact O-N 3.27Å; N374-E376 WeakPolarHBondContact OD1-CB 3.44Å; N374-E376 PolarHBondContact OD1-N 3.37Å; E376-K440 WeakPolarHBondContact O-CD 3.14Å
377	K	98	Very high	97	Very high	47 Å²	47	45.3 Å²	45.3	20%	0.204	22%	0.223	C	C	.	.			trans	-119.6	141.4	-172.7	-55	-60.2	174.6	-167.7	0	112.4	N374 V379 P409 N410 V412 K440 K443	N374-K377 HydrophobicContact CB-CG 4.34Å; N374-K377 PolarHBondContact O-N 2.82Å; N374-K377 VanDerWaalsContact O-N 3.15Å; K377-V379 HydrophobicContact CB-CG2 4.12Å; K377-P409 PolarHBondContact NZ-O 3.1Å; K377-N410 CarbonylContact C-O 3.55Å; K377-N410 WeakPolarHBondContact CA-O 3.39Å; K377-N410 PolarHBondContact NZ-OD1 3.44Å; K377-V412 HydrophobicContact CB-CG2 4.34Å; K377-V412 HydrophobicContact CG-CG2 4.35Å; K377-K440 WeakPolarHBondContact O-CA 3.38Å; K377-K440 PolarHBondContact O-N 3.2Å; K377-K443 PolarHBondContact O-NZ 2.85Å
378	D	98.6	Very high	97	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.7	154.3	-69.1	-41.8	0	0	0	108.7	N410 L411 V412 F437 P439 K440 T467	D378-N410 PolarHBondContact N-O 2.89Å; D378-L411 HydrophobicContact CB-CD1 4.04Å; D378-L411 CarbonylContact O-C 3.59Å; D378-L411 WeakPolarHBondContact O-CA 3.37Å; D378-V412 PolarHBondContact O-N 3.42Å; D378-F437 HydrophobicContact CB-CE2 3.9Å; D378-F437 HydrophobicContact CB-CZ 3.74Å; D378-P439 WeakPolarHBondContact OD1-CA 3.34Å; D378-K440 WeakPolarHBondContact OD1-CB 3.34Å; D378-K440 PolarHBondContact OD1-N 3.33Å; D378-T467 WeakPolarHBondContact OD1-CB 3.43Å; D378-T467 PolarHBondContact OD1-OG1 3.21Å; D378-T467 WeakPolarHBondContact OD2-CB 3.5Å; D378-T467 PolarHBondContact OD2-N 3.05Å
379	V	98.5	Very high	96.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.3	-178.7	-172.2	0	0	0	0	110	V372 K377 V412 A414 F437 V438	V372-V379 HydrophobicContact CG1-CG1 4.37Å; V372-V379 HydrophobicContact CG2-CG1 4.33Å; K377-V379 HydrophobicContact CB-CG2 4.12Å; V379-V412 CarbonylContact C-O 3.54Å; V379-V412 VanDerWaalsContact CA-O 3.3Å; V379-V412 WeakPolarHBondContact CA-O 3.37Å; V379-V412 HydrophobicContact CG1-CB 4.28Å; V379-V412 HydrophobicContact CG1-CG1 4.42Å; V379-V412 HydrophobicContact CG2-CB 4.22Å; V379-A414 HydrophobicContact CG1-CB 4.45Å; V379-F437 CarbonylContact O-C 3.59Å; V379-V438 HydrophobicContact CB-CB 4.25Å; V379-V438 PolarHBondContact N-O 3.4Å; V379-V438 WeakPolarHBondContact O-CB 3.11Å; V379-V438 PolarHBondContact O-N 2.98Å
380	M	98.6	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.9	166.2	-168.8	172.1	-179	0	0	108.4	Y398 V412 L413 A414 I435 Y436 F437 Y449 I458 L462	M380-Y398 WeakPolarHBondContact CB-OH 3.2Å; M380-Y398 HydrophobicContact CE-CE2 4.22Å; M380-Y398 HydrophobicContact CG-CE2 4.19Å; M380-Y398 WeakPolarHBondContact CG-OH 3.41Å; M380-Y398 PolarHBondContact O-OH 3.39Å; M380-Y398 HydrophobicContact SD-CE2 4.01Å; M380-V412 PolarHBondContact N-O 2.92Å; M380-L413 HydrophobicContact CB-CG 4.28Å; M380-L413 WeakPolarHBondContact O-CA 3.45Å; M380-A414 PolarHBondContact O-N 3.03Å; M380-I435 HydrophobicContact CE-CG2 3.51Å; M380-I435 HydrophobicContact CG-CG2 4.14Å; M380-Y436 CarbonylContact C-O 3.56Å; M380-Y436 WeakPolarHBondContact CA-O 3.29Å; M380-F437 HydrophobicContact CB-CD2 4.31Å; M380-Y449 HydrophobicContact CE-CD1 4.16Å; M380-Y449 HydrophobicContact CE-CD2 3.66Å; M380-Y449 HydrophobicContact CE-CE1 4.41Å; M380-Y449 HydrophobicContact CE-CE2 3.94Å; M380-Y449 HydrophobicContact CE-CG 3.77Å; M380-I458 HydrophobicContact CE-CG2 4.17Å; M380-I458 HydrophobicContact SD-CG2 3.98Å; M380-L462 HydrophobicContact CB-CD2 3.98Å; M380-L462 HydrophobicContact CG-CD2 4.41Å; M380-L462 HydrophobicContact SD-CD1 4.28Å; M380-L462 HydrophobicContact SD-CD2 3.6Å; M380-L462 HydrophobicContact SD-CG 3.95Å
381	V	98.5	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.1	-175.4	59.6	0	0	0	0	111.1	L363 F368 F383 A414 Y427 I435 Y436 V438	L363-V381 HydrophobicContact CD1-CB 4.42Å; L363-V381 HydrophobicContact CD1-CG2 3.51Å; F368-V381 HydrophobicContact CE2-CG2 4.43Å; V381-F383 HydrophobicContact CG1-CE2 3.78Å; V381-F383 HydrophobicContact CG1-CZ 4.26Å; V381-F383 HydrophobicContact CG2-CD2 4.4Å; V381-F383 HydrophobicContact CG2-CE1 4.43Å; V381-F383 HydrophobicContact CG2-CE2 3.99Å; V381-F383 HydrophobicContact CG2-CZ 4.02Å; V381-A414 WeakPolarHBondContact CA-O 3.21Å; V381-Y427 HydrophobicContact CG1-CE1 4.07Å; V381-I435 WeakPolarHBondContact O-CA 3.28Å; V381-Y436 PolarHBondContact N-O 3.49Å; V381-Y436 PolarHBondContact O-N 2.89Å; V381-V438 HydrophobicContact CG1-CG2 4.15Å
382	V	98.5	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	173	178	0	0	0	0	109.5	H384 L394 M395 Y398 A414 A415 M416 P433 I435	V382-H384 HydrophobicContact CG1-CB 4.41Å; V382-L394 HydrophobicContact CG1-CD2 4.05Å; V382-L394 HydrophobicContact CG2-CD2 4.49Å; V382-M395 HydrophobicContact CG1-SD 4.24Å; V382-Y398 HydrophobicContact CB-CE1 4.37Å; V382-Y398 HydrophobicContact CG2-CD1 3.88Å; V382-Y398 HydrophobicContact CG2-CD2 3.93Å; V382-Y398 HydrophobicContact CG2-CE1 3.57Å; V382-Y398 HydrophobicContact CG2-CE2 3.65Å; V382-Y398 HydrophobicContact CG2-CG 4.05Å; V382-Y398 VanDerWaalsContact CG2-CZ 3.45Å; V382-A414 PolarHBondContact N-O 3.03Å; V382-A415 HydrophobicContact CB-CB 4.27Å; V382-A415 CarbonylContact O-C 3.55Å; V382-A415 VanDerWaalsContact O-CA 3.29Å; V382-A415 WeakPolarHBondContact O-CA 3.49Å; V382-M416 PolarHBondContact O-N 3.42Å; V382-P433 HydrophobicContact CG1-CB 4.19Å; V382-I435 HydrophobicContact CG1-CG1 4.43Å; V382-I435 HydrophobicContact CG2-CD1 4.28Å; V382-I435 HydrophobicContact CG2-CG1 4.08Å; V382-I435 HydrophobicContact CG2-CG2 4.13Å
383	F	98.6	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.9	166.5	-60.9	-84	0	0	0	109.4	F368 V381 M416 A418 V423 Y427 V429 P433 T434 Y436	F368-F383 AromaticContact CE2-CE1 3.74Å; F368-F383 HydrophobicContact CE2-CE1 3.74Å; F368-F383 AromaticContact CE2-CZ 3.72Å; F368-F383 HydrophobicContact CE2-CZ 3.72Å; F368-F383 HydrophobicContact CZ-CE1 4.3Å; F368-F383 AromaticContact CZ-CZ 3.84Å; F368-F383 HydrophobicContact CZ-CZ 3.84Å; V381-F383 HydrophobicContact CG1-CE2 3.78Å; V381-F383 HydrophobicContact CG1-CZ 4.26Å; V381-F383 HydrophobicContact CG2-CD2 4.4Å; V381-F383 HydrophobicContact CG2-CE1 4.43Å; V381-F383 HydrophobicContact CG2-CE2 3.99Å; V381-F383 HydrophobicContact CG2-CZ 4.02Å; F383-M416 WeakPolarHBondContact CA-O 3.35Å; F383-M416 HydrophobicContact CD1-CB 4.01Å; F383-M416 HydrophobicContact CD1-CG 4.4Å; F383-M416 HydrophobicContact CD1-SD 3.94Å; F383-M416 HydrophobicContact CE1-CB 4.32Å; F383-M416 HydrophobicContact CE1-SD 3.58Å; F383-M416 VanDerWaalsContact CE1-SD 3.58Å; F383-A418 HydrophobicContact CB-CB 4.1Å; F383-A418 HydrophobicContact CD1-CB 4.16Å; F383-V423 HydrophobicContact CD1-CG1 4.11Å; F383-V423 HydrophobicContact CD1-CG2 3.89Å; F383-V423 HydrophobicContact CE1-CB 4.38Å; F383-V423 HydrophobicContact CE1-CG1 3.59Å; F383-V423 HydrophobicContact CE1-CG2 4.04Å; F383-V423 HydrophobicContact CZ-CG1 3.99Å; F383-Y427 AromaticContact CE2-CD1 3.57Å; F383-Y427 HydrophobicContact CE2-CD1 3.57Å; F383-Y427 HydrophobicContact CE2-CE1 4.34Å; F383-Y427 AromaticContact CE2-CG 3.84Å; F383-Y427 HydrophobicContact CE2-CG 3.84Å; F383-Y427 AromaticContact CZ-CD1 3.74Å; F383-Y427 HydrophobicContact CZ-CD1 3.74Å; F383-Y427 HydrophobicContact CZ-CD2 4.17Å; F383-Y427 HydrophobicContact CZ-CE1 4.41Å; F383-Y427 AromaticContact CZ-CG 3.59Å; F383-Y427 HydrophobicContact CZ-CG 3.59Å; F383-V429 HydrophobicContact CB-CG1 4.18Å; F383-V429 HydrophobicContact CB-CG2 3.62Å; F383-V429 HydrophobicContact CD1-CG2 3.97Å; F383-V429 HydrophobicContact CD2-CG2 3.85Å; F383-V429 HydrophobicContact CG-CG2 3.53Å; F383-P433 WeakPolarHBondContact O-CA 3.27Å; F383-T434 PolarHBondContact N-O 2.8Å; F383-T434 PolarHBondContact O-N 3.14Å; F383-Y436 HydrophobicContact CD2-CD2 4.11Å; F383-Y436 AromaticContact CE2-CD2 3.86Å; F383-Y436 HydrophobicContact CE2-CD2 3.86Å; F383-Y436 HydrophobicContact CE2-CE2 4.44Å
384	H	98.3	Very high	97	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.153	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	178	-176.6	68.9	81.4	0	0	0	112.6	V382 C391 M416 D417 A418 F432	V382-H384 HydrophobicContact CG1-CB 4.41Å; H384-C391 HydrophobicContact CB-CB 3.89Å; H384-M416 PolarHBondContact CD2-O 3Å; H384-M416 VanDerWaalsContact CD2-O 3.24Å; H384-M416 PolarHBondContact N-O 3.31Å; H384-D417 IonicContact CE1-OD2 3.76Å; H384-D417 IonicContact ND1-OD2 2.71Å; H384-D417 CarbonylContact O-C 3.56Å; H384-D417 WeakPolarHBondContact O-CA 3.46Å; H384-A418 PolarHBondContact O-N 2.88Å; H384-F432 VanDerWaalsContact C-CD1 3.45Å; H384-F432 WeakPolarHBondContact O-CE1 3.42Å
385	A	97	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.246	C	C	.	.			trans	-134.6	134.5	170	0	0	0	0	0	108.7	W387 C388 T419 F432	A385-W387 HydrophobicContact CB-CD2 4.21Å; A385-W387 HydrophobicContact CB-CZ2 3.94Å; A385-W387 PolarHBondContact O-N 3.44Å; A385-W387 VanDerWaalsContact O-N 3.09Å; A385-C388 HydrophobicContact CB-CB 4.19Å; A385-C388 WeakPolarHBondContact O-CB 3.35Å; A385-C388 PolarHBondContact O-N 2.92Å; A385-T419 HydrophobicContact CB-CG2 3.5Å; A385-F432 HydrophobicContact CB-CB 4.45Å; A385-F432 HydrophobicContact CB-CD1 4.14Å; A385-F432 HydrophobicContact CB-CD2 3.66Å; A385-F432 HydrophobicContact CB-CE1 4.28Å; A385-F432 HydrophobicContact CB-CE2 3.83Å; A385-F432 HydrophobicContact CB-CG 3.82Å; A385-F432 HydrophobicContact CB-CZ 4.13Å
386	G	93.4	Very high	97.1	Very high	43 Å²	43	47.3 Å²	47.3	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.7	-177.3	0	0	0	0	0	115.5	K392 D417	G386-K392 WeakPolarHBondContact O-CE 3.32Å; G386-D417 PolarHBondContact N-OD2 3.37Å
387	W	91.8	Very high	97.2	Very high	179 Å²	179	43.9 Å²	43.9	68%	0.678	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.4	177.5	52	-100.4	0	0	0	114.2	A385 G389 F432	A385-W387 HydrophobicContact CB-CD2 4.21Å; A385-W387 HydrophobicContact CB-CZ2 3.94Å; A385-W387 PolarHBondContact O-N 3.44Å; A385-W387 VanDerWaalsContact O-N 3.09Å; W387-G389 PolarHBondContact O-N 3.01Å; W387-F432 HydrophobicContact CH2-CD2 4.05Å; W387-F432 HydrophobicContact CH2-CE2 4.37Å; W387-F432 HydrophobicContact CZ2-CD2 4.17Å; W387-F432 HydrophobicContact CZ2-CE2 4.11Å
388	C	96.4	Very high	97.2	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.074	22%	0.222	C	C	.	.			trans	-77.6	119.6	-173.3	178.8	0	0	0	0	112.7	A385 H390 C391 K392 F432	A385-C388 HydrophobicContact CB-CB 4.19Å; A385-C388 WeakPolarHBondContact O-CB 3.35Å; A385-C388 PolarHBondContact O-N 2.92Å; C388-H390 PolarHBondContact O-N 3.45Å; C388-C391 HydrophobicContact CB-CB 3.99Å; C388-C391 PolarHBondContact O-N 3.27Å; C388-K392 WeakPolarHBondContact O-CG 3.2Å; C388-K392 PolarHBondContact O-N 2.86Å; C388-K392 VanDerWaalsContact O-N 3.08Å; C388-F432 HydrophobicContact CB-CB 4.07Å; C388-F432 PolarHBondContact SG-O 3.27Å
389	G	96.2	Very high	97.2	Very high	50 Å²	50	44.1 Å²	44.1	52%	0.515	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-38.1	177.4	0	0	0	0	0	113.9	W387 C391 K392 N393	W387-G389 PolarHBondContact O-N 3.01Å; G389-C391 VanDerWaalsContact C-N 3.33Å; G389-C391 PolarHBondContact O-N 3.19Å; G389-K392 PolarHBondContact O-N 3.44Å; G389-N393 PolarHBondContact O-N 3.29Å
390	H	95.4	Very high	97.2	Very high	123 Å²	123	48.3 Å²	48.3	57%	0.569	25%	0.253	S	S	*	.	H	α-helix	trans	-63.8	-38.1	175.7	-65.6	156.9	0	0	0	112.3	C388 N393 L394	C388-H390 PolarHBondContact O-N 3.45Å; H390-N393 PolarHBondContact O-N 2.87Å; H390-L394 PolarHBondContact O-N 2.79Å; H390-L394 VanDerWaalsContact O-N 3.16Å
391	C	97.1	Very high	97.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-45.5	175.1	-61	0	0	0	0	111	H384 C388 G389 N393 L394 M395 P433	H384-C391 HydrophobicContact CB-CB 3.89Å; C388-C391 HydrophobicContact CB-CB 3.99Å; C388-C391 PolarHBondContact O-N 3.27Å; G389-C391 VanDerWaalsContact C-N 3.33Å; G389-C391 PolarHBondContact O-N 3.19Å; C391-N393 PolarHBondContact O-N 3.34Å; C391-N393 VanDerWaalsContact O-N 3.16Å; C391-L394 PolarHBondContact O-N 3.14Å; C391-M395 VanDerWaalsContact O-CG 3.31Å; C391-M395 WeakPolarHBondContact O-CG 3.47Å; C391-M395 PolarHBondContact O-N 2.87Å; C391-P433 VanDerWaalsContact SG-N 3.44Å
392	K	97	Very high	97.1	Very high	135 Å²	135	48.4 Å²	48.4	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-56.7	-32.3	178	-70.4	175.8	-178.1	178.4	0	113.2	G386 C388 G389 P396	G386-K392 WeakPolarHBondContact O-CE 3.32Å; C388-K392 WeakPolarHBondContact O-CG 3.2Å; C388-K392 PolarHBondContact O-N 2.86Å; C388-K392 VanDerWaalsContact O-N 3.08Å; G389-K392 PolarHBondContact O-N 3.44Å; K392-P396 WeakPolarHBondContact O-CD 3.25Å
393	N	97.2	Very high	97.1	Very high	106 Å²	106	51.4 Å²	51.4	57%	0.567	28%	0.275	S	S	*	.	H	α-helix	trans	-79.2	-31.7	175.1	-169.4	33.9	0	0	0	113.4	G389 H390 C391	G389-N393 PolarHBondContact O-N 3.29Å; H390-N393 PolarHBondContact O-N 2.87Å; C391-N393 PolarHBondContact O-N 3.34Å; C391-N393 VanDerWaalsContact O-N 3.16Å
394	L	97.9	Very high	97	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-75.1	-44.8	178.5	172.7	66.4	0	0	0	112.2	V382 H390 C391 K397 Y398 P433 I435 R453 I458	V382-L394 HydrophobicContact CG1-CD2 4.05Å; V382-L394 HydrophobicContact CG2-CD2 4.49Å; H390-L394 PolarHBondContact O-N 2.79Å; H390-L394 VanDerWaalsContact O-N 3.16Å; C391-L394 PolarHBondContact O-N 3.14Å; L394-K397 WeakPolarHBondContact O-CB 3.39Å; L394-K397 PolarHBondContact O-N 2.99Å; L394-Y398 PolarHBondContact O-N 3.39Å; L394-P433 HydrophobicContact CD2-CB 3.72Å; L394-P433 HydrophobicContact CD2-CG 3.66Å; L394-I435 HydrophobicContact CD2-CD1 3.63Å; L394-I435 HydrophobicContact CD2-CG1 4.4Å; L394-R453 HydrophobicContact CD1-CB 3.94Å; L394-R453 HydrophobicContact CD1-CG 4.18Å; L394-I458 HydrophobicContact CD1-CD1 4.28Å
395	M	97.6	Very high	96.9	Very high	47 Å²	47	54.2 Å²	54.2	23%	0.232	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-43.9	-167.7	-70.2	-53.1	-65.7	0	0	114.1	V382 C391 K397 Y398 E399 A415	V382-M395 HydrophobicContact CG1-SD 4.24Å; C391-M395 VanDerWaalsContact O-CG 3.31Å; C391-M395 WeakPolarHBondContact O-CG 3.47Å; C391-M395 PolarHBondContact O-N 2.87Å; M395-K397 VanDerWaalsContact C-N 3.31Å; M395-K397 PolarHBondContact O-N 3.4Å; M395-Y398 PolarHBondContact O-N 3.49Å; M395-E399 WeakPolarHBondContact O-CB 3.47Å; M395-E399 PolarHBondContact O-N 2.98Å; M395-A415 HydrophobicContact CE-CB 3.73Å
396	P	97.8	Very high	96.8	Very high	83 Å²	83	60.9 Å²	60.9	54%	0.539	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-37.2	177.5	-24.5	35.3	0	0	0	113.6	K392 E399 E400	K392-P396 WeakPolarHBondContact O-CD 3.25Å; P396-E399 PolarHBondContact O-N 2.86Å; P396-E400 PolarHBondContact O-N 3.19Å
397	K	98.3	Very high	96.8	Very high	55 Å²	55	66 Å²	66	24%	0.239	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-36.2	179.2	-57.5	174	179.4	-169.6	0	111.1	L394 M395 E400 A401 R453 D454 T455	L394-K397 WeakPolarHBondContact O-CB 3.39Å; L394-K397 PolarHBondContact O-N 2.99Å; M395-K397 VanDerWaalsContact C-N 3.31Å; M395-K397 PolarHBondContact O-N 3.4Å; K397-E400 PolarHBondContact O-N 3.03Å; K397-A401 WeakPolarHBondContact O-CB 3.28Å; K397-A401 PolarHBondContact O-N 2.76Å; K397-R453 WeakPolarHBondContact CD-O 3.37Å; K397-D454 WeakPolarHBondContact CE-OD1 3.1Å; K397-D454 IonicContact NZ-OD1 2.66Å; K397-D454 PolarHBondContact NZ-OD1 3.46Å; K397-T455 PolarHBondContact O-OG1 2.96Å
398	Y	98.4	Very high	96.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-40.8	173.8	-164.5	-110.3	0	0	0	111.8	V360 M380 V382 L394 M395 A401 A402 L413 I458	V360-Y398 HydrophobicContact CG1-CD1 4.08Å; V360-Y398 HydrophobicContact CG1-CE1 3.88Å; V360-Y398 HydrophobicContact CG2-CD1 3.62Å; V360-Y398 HydrophobicContact CG2-CE1 3.93Å; M380-Y398 WeakPolarHBondContact CB-OH 3.2Å; M380-Y398 HydrophobicContact CE-CE2 4.22Å; M380-Y398 HydrophobicContact CG-CE2 4.19Å; M380-Y398 WeakPolarHBondContact CG-OH 3.41Å; M380-Y398 PolarHBondContact O-OH 3.39Å; M380-Y398 HydrophobicContact SD-CE2 4.01Å; V382-Y398 HydrophobicContact CB-CE1 4.37Å; V382-Y398 HydrophobicContact CG2-CD1 3.88Å; V382-Y398 HydrophobicContact CG2-CD2 3.93Å; V382-Y398 HydrophobicContact CG2-CE1 3.57Å; V382-Y398 HydrophobicContact CG2-CE2 3.65Å; V382-Y398 HydrophobicContact CG2-CG 4.05Å; V382-Y398 VanDerWaalsContact CG2-CZ 3.45Å; L394-Y398 PolarHBondContact O-N 3.39Å; M395-Y398 PolarHBondContact O-N 3.49Å; Y398-A401 PolarHBondContact O-N 2.84Å; Y398-A402 WeakPolarHBondContact O-CB 3.11Å; Y398-A402 PolarHBondContact O-N 3.12Å; Y398-L413 HydrophobicContact CD2-CD2 4.23Å; Y398-L413 HydrophobicContact CE1-CB 4.03Å; Y398-L413 HydrophobicContact CE1-CD2 4.27Å; Y398-L413 HydrophobicContact CE1-CG 4.39Å; Y398-L413 HydrophobicContact CE2-CD2 3.71Å; Y398-L413 HydrophobicContact CE2-CG 4.2Å; Y398-I458 HydrophobicContact CD2-CD1 3.99Å; Y398-I458 HydrophobicContact CD2-CG2 4.34Å; Y398-I458 HydrophobicContact CE2-CG2 4.34Å
399	E	97.9	Very high	96.8	Very high	56 Å²	56	61.3 Å²	61.3	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-41.9	173.5	-167.3	68.4	-157.4	0	0	112	S358 A359 V360 M395 P396 A402 S403	S358-E399 PolarHBondContact OG-OE1 2.75Å; S358-E399 PolarHBondContact OG-OE2 2.88Å; S358-E399 VanDerWaalsContact OG-OE2 3.06Å; A359-E399 PolarHBondContact N-OE1 3.25Å; V360-E399 VanDerWaalsContact CB-OE2 3.27Å; V360-E399 WeakPolarHBondContact CB-OE2 3.41Å; V360-E399 WeakPolarHBondContact CG2-OE2 3.34Å; V360-E399 PolarHBondContact N-OE1 3.34Å; M395-E399 WeakPolarHBondContact O-CB 3.47Å; M395-E399 PolarHBondContact O-N 2.98Å; P396-E399 PolarHBondContact O-N 2.86Å; E399-A402 PolarHBondContact O-N 3.39Å; E399-S403 WeakPolarHBondContact O-CB 3.38Å; E399-S403 PolarHBondContact O-N 2.88Å; E399-S403 PolarHBondContact O-OG 3.42Å
400	E	98.2	Very high	96.8	Very high	87 Å²	87	60.7 Å²	60.7	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-42.9	174.8	-167	-162.4	162.5	0	0	111.2	P396 K397 S403 K404 T455	P396-E400 PolarHBondContact O-N 3.19Å; K397-E400 PolarHBondContact O-N 3.03Å; E400-S403 PolarHBondContact O-N 2.96Å; E400-K404 WeakPolarHBondContact O-CG 3.39Å; E400-K404 PolarHBondContact O-N 3.35Å; E400-K404 VanDerWaalsContact OE1-CE 3.24Å; E400-K404 WeakPolarHBondContact OE1-CE 3.24Å; E400-K404 IonicContact OE1-NZ 3.99Å; E400-K404 PolarHBondContact OE1-NZ 2.96Å; E400-T455 HydrophobicContact CB-CG2 3.98Å; E400-T455 HydrophobicContact CG-CG2 3.88Å; E400-T455 WeakPolarHBondContact OE2-CB 3.18Å; E400-T455 PolarHBondContact OE2-OG1 2.9Å
401	A	98.2	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-47.9	176.7	0	0	0	0	0	110.7	K397 Y398 S403 K404 V405 L413 T455 I458 I459	K397-A401 WeakPolarHBondContact O-CB 3.28Å; K397-A401 PolarHBondContact O-N 2.76Å; Y398-A401 PolarHBondContact O-N 2.84Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 2.91Å; A401-K404 PolarHBondContact O-N 3.26Å; A401-K404 VanDerWaalsContact O-N 3.14Å; A401-V405 WeakPolarHBondContact O-CG2 3.49Å; A401-V405 PolarHBondContact O-N 3.28Å; A401-V405 VanDerWaalsContact O-N 3.09Å; A401-L413 HydrophobicContact CB-CD2 4.32Å; A401-T455 HydrophobicContact CB-CG2 4Å; A401-I458 HydrophobicContact CB-CB 4.16Å; A401-I458 HydrophobicContact CB-CD1 4.48Å; A401-I458 HydrophobicContact CB-CG2 3.79Å; A401-I459 HydrophobicContact CB-CG1 4.2Å
402	A	98.2	Very high	97	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-42.8	176.2	0	0	0	0	0	112.2	A359 V360 Y398 E399 K404 V405 K406 L413	A359-A402 HydrophobicContact CB-CB 3.77Å; V360-A402 HydrophobicContact CG2-CB 3.51Å; Y398-A402 WeakPolarHBondContact O-CB 3.11Å; Y398-A402 PolarHBondContact O-N 3.12Å; E399-A402 PolarHBondContact O-N 3.39Å; A402-K404 VanDerWaalsContact C-N 3.32Å; A402-K404 PolarHBondContact O-N 3.39Å; A402-V405 CarbonylContact O-C 3.53Å; A402-V405 PolarHBondContact O-N 3.11Å; A402-K406 WeakPolarHBondContact O-CA 3.45Å; A402-K406 PolarHBondContact O-N 3.31Å; A402-L413 HydrophobicContact CB-CB 3.78Å; A402-L413 HydrophobicContact CB-CD2 3.79Å; A402-L413 HydrophobicContact CB-CG 4.33Å
403	S	97.6	Very high	97	Very high	64 Å²	64	50.8 Å²	50.8	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.4	-59.8	0	0	0	0	112	A359 E399 E400 A401 K406	A359-S403 WeakPolarHBondContact CB-OG 3.27Å; E399-S403 WeakPolarHBondContact O-CB 3.38Å; E399-S403 PolarHBondContact O-N 2.88Å; E399-S403 PolarHBondContact O-OG 3.42Å; E400-S403 PolarHBondContact O-N 2.96Å; A401-S403 VanDerWaalsContact C-N 3.32Å; A401-S403 PolarHBondContact O-N 2.91Å; S403-K406 WeakPolarHBondContact O-CB 3.48Å; S403-K406 PolarHBondContact O-N 3.49Å
404	K	97.2	Very high	97.1	Very high	88 Å²	88	45.7 Å²	45.7	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-27.2	179.2	-79.9	178.1	179.9	170.9	0	114	E400 A401 A402 T455 I459	E400-K404 WeakPolarHBondContact O-CG 3.39Å; E400-K404 PolarHBondContact O-N 3.35Å; E400-K404 VanDerWaalsContact OE1-CE 3.24Å; E400-K404 WeakPolarHBondContact OE1-CE 3.24Å; E400-K404 IonicContact OE1-NZ 3.99Å; E400-K404 PolarHBondContact OE1-NZ 2.96Å; A401-K404 PolarHBondContact O-N 3.26Å; A401-K404 VanDerWaalsContact O-N 3.14Å; A402-K404 VanDerWaalsContact C-N 3.32Å; A402-K404 PolarHBondContact O-N 3.39Å; K404-T455 HydrophobicContact CD-CG2 4.09Å; K404-I459 HydrophobicContact CB-CD1 3.97Å; K404-I459 HydrophobicContact CD-CD1 3.64Å; K404-I459 HydrophobicContact CG-CD1 4.46Å
405	V	96.2	Very high	97.1	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	11.7	178.2	-54.5	0	0	0	0	112.9	A401 A402 N407 E408 L411 L413 I459 Y473	A401-V405 WeakPolarHBondContact O-CG2 3.49Å; A401-V405 PolarHBondContact O-N 3.28Å; A401-V405 VanDerWaalsContact O-N 3.09Å; A402-V405 CarbonylContact O-C 3.53Å; A402-V405 PolarHBondContact O-N 3.11Å; V405-N407 PolarHBondContact O-N 3.34Å; V405-E408 HydrophobicContact CB-CG 3.89Å; V405-E408 VanDerWaalsContact O-CB 3.25Å; V405-E408 WeakPolarHBondContact O-CB 3.3Å; V405-E408 VanDerWaalsContact O-CG 3.3Å; V405-E408 WeakPolarHBondContact O-CG 3.29Å; V405-E408 PolarHBondContact O-N 3.28Å; V405-L411 HydrophobicContact CB-CD2 4.12Å; V405-L411 HydrophobicContact CG2-CD2 3.83Å; V405-L413 HydrophobicContact CG2-CD1 3.77Å; V405-I459 HydrophobicContact CG1-CG1 4.33Å; V405-Y473 HydrophobicContact CG1-CD2 4.37Å; V405-Y473 HydrophobicContact CG1-CE2 3.95Å
406	K	94.4	Very high	97.1	Very high	140 Å²	140	43.6 Å²	43.6	61%	0.609	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.6	-173.7	-173.5	174.7	-178.1	172.1	0	114.2	A402 S403 E408	A402-K406 WeakPolarHBondContact O-CA 3.45Å; A402-K406 PolarHBondContact O-N 3.31Å; S403-K406 WeakPolarHBondContact O-CB 3.48Å; S403-K406 PolarHBondContact O-N 3.49Å; K406-E408 VanDerWaalsContact C-N 3.33Å
407	N	92.8	Very high	97.1	Very high	151 Å²	151	40.8 Å²	40.8	81%	0.807	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.7	-179.9	-64.5	-24.3	0	0	0	113.3	V405 P409	V405-N407 PolarHBondContact O-N 3.34Å; N407-P409 WeakPolarHBondContact O-CD 3.3Å
408	E	95.8	Very high	97.1	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.075	21%	0.208	C	C	.	.			trans	-74	112.4	175.8	-62.6	-60	162.3	0	0	109.6	V405 K406 N410 L411 L470 I471 G472	V405-E408 HydrophobicContact CB-CG 3.89Å; V405-E408 VanDerWaalsContact O-CB 3.25Å; V405-E408 WeakPolarHBondContact O-CB 3.3Å; V405-E408 VanDerWaalsContact O-CG 3.3Å; V405-E408 WeakPolarHBondContact O-CG 3.29Å; V405-E408 PolarHBondContact O-N 3.28Å; K406-E408 VanDerWaalsContact C-N 3.33Å; E408-N410 VanDerWaalsContact C-N 3.28Å; E408-N410 PolarHBondContact O-N 3.14Å; E408-L411 HydrophobicContact CB-CB 3.89Å; E408-L411 HydrophobicContact CB-CD2 4.45Å; E408-L411 PolarHBondContact O-N 3.34Å; E408-L470 HydrophobicContact CB-CD2 4.42Å; E408-L470 HydrophobicContact CG-CB 4.44Å; E408-L470 HydrophobicContact CG-CD2 4.1Å; E408-L470 WeakPolarHBondContact OE2-CA 3.5Å; E408-I471 PolarHBondContact OE1-N 3.18Å; E408-I471 PolarHBondContact OE2-N 3.23Å; E408-G472 WeakPolarHBondContact OE1-CA 3.35Å; E408-G472 PolarHBondContact OE1-N 3.39Å
409	P	93.8	Very high	96.8	Very high	76 Å²	76	41.7 Å²	41.7	49%	0.494	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.6	-166.5	25.7	-35.1	0	0	0	113.1	K377 N407 I471	K377-P409 PolarHBondContact NZ-O 3.1Å; N407-P409 WeakPolarHBondContact O-CD 3.3Å; P409-I471 HydrophobicContact CG-CD1 3.93Å
410	N	95.8	Very high	96.6	Very high	36 Å²	36	40.5 Å²	40.5	19%	0.193	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	14	-174.1	-67.7	-24.9	0	0	0	113.3	K377 D378 E408 E468	K377-N410 CarbonylContact C-O 3.55Å; K377-N410 WeakPolarHBondContact CA-O 3.39Å; K377-N410 PolarHBondContact NZ-OD1 3.44Å; D378-N410 PolarHBondContact N-O 2.89Å; E408-N410 VanDerWaalsContact C-N 3.28Å; E408-N410 PolarHBondContact O-N 3.14Å; N410-E468 PolarHBondContact ND2-OE2 3.23Å
411	L	98.1	Very high	96.5	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.5	-178.4	179.2	62	0	0	0	111.3	D378 V405 E408 L413 F437 L462 L470	D378-L411 HydrophobicContact CB-CD1 4.04Å; D378-L411 CarbonylContact O-C 3.59Å; D378-L411 WeakPolarHBondContact O-CA 3.37Å; V405-L411 HydrophobicContact CB-CD2 4.12Å; V405-L411 HydrophobicContact CG2-CD2 3.83Å; E408-L411 HydrophobicContact CB-CB 3.89Å; E408-L411 HydrophobicContact CB-CD2 4.45Å; E408-L411 PolarHBondContact O-N 3.34Å; L411-L413 HydrophobicContact CD1-CD1 4.15Å; L411-L413 HydrophobicContact CD2-CD1 4.06Å; L411-L413 HydrophobicContact CG-CD1 3.87Å; L411-F437 HydrophobicContact CD1-CE2 4.45Å; L411-L462 HydrophobicContact CD1-CD2 3.83Å; L411-L462 HydrophobicContact CD2-CB 4.38Å; L411-L462 HydrophobicContact CD2-CD1 4.2Å; L411-L462 HydrophobicContact CD2-CD2 4.23Å; L411-L470 HydrophobicContact CD2-CD1 4.44Å; L411-L470 HydrophobicContact CD2-CD2 4.08Å
412	V	98	Very high	96.3	Very high	30 Å²	30	39 Å²	39	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.4	175	-179.9	0	0	0	0	109.5	K361 I371 K377 D378 V379 M380 A414	K361-V412 HydrophobicContact CB-CG1 4.38Å; K361-V412 HydrophobicContact CG-CG1 3.84Å; I371-V412 HydrophobicContact CG2-CG1 4.1Å; K377-V412 HydrophobicContact CB-CG2 4.34Å; K377-V412 HydrophobicContact CG-CG2 4.35Å; D378-V412 PolarHBondContact O-N 3.42Å; V379-V412 CarbonylContact C-O 3.54Å; V379-V412 VanDerWaalsContact CA-O 3.3Å; V379-V412 WeakPolarHBondContact CA-O 3.37Å; V379-V412 HydrophobicContact CG1-CB 4.28Å; V379-V412 HydrophobicContact CG1-CG1 4.42Å; V379-V412 HydrophobicContact CG2-CB 4.22Å; M380-V412 PolarHBondContact N-O 2.92Å; V412-A414 HydrophobicContact CG1-CB 4.39Å
413	L	98.6	Very high	96.1	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.4	166.3	-84.1	70.9	0	0	0	108.2	V360 K361 M380 Y398 A401 A402 V405 L411 I458 L462	V360-L413 CarbonylContact C-O 3.58Å; V360-L413 WeakPolarHBondContact CA-O 3.21Å; K361-L413 PolarHBondContact N-O 2.88Å; M380-L413 HydrophobicContact CB-CG 4.28Å; M380-L413 WeakPolarHBondContact O-CA 3.45Å; Y398-L413 HydrophobicContact CD2-CD2 4.23Å; Y398-L413 HydrophobicContact CE1-CB 4.03Å; Y398-L413 HydrophobicContact CE1-CD2 4.27Å; Y398-L413 HydrophobicContact CE1-CG 4.39Å; Y398-L413 HydrophobicContact CE2-CD2 3.71Å; Y398-L413 HydrophobicContact CE2-CG 4.2Å; A401-L413 HydrophobicContact CB-CD2 4.32Å; A402-L413 HydrophobicContact CB-CB 3.78Å; A402-L413 HydrophobicContact CB-CD2 3.79Å; A402-L413 HydrophobicContact CB-CG 4.33Å; V405-L413 HydrophobicContact CG2-CD1 3.77Å; L411-L413 HydrophobicContact CD1-CD1 4.15Å; L411-L413 HydrophobicContact CD2-CD1 4.06Å; L411-L413 HydrophobicContact CG-CD1 3.87Å; L413-I458 HydrophobicContact CD2-CG2 4.48Å; L413-L462 HydrophobicContact CD1-CD1 3.9Å; L413-L462 HydrophobicContact CD2-CD1 4.13Å; L413-L462 HydrophobicContact CG-CD1 4.46Å
414	A	98.3	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.3	-174.3	0	0	0	0	0	111.4	K361 L363 V379 M380 V381 V382 V412	K361-A414 HydrophobicContact CB-CB 4.04Å; K361-A414 CarbonylContact O-C 3.48Å; K361-A414 WeakPolarHBondContact O-CA 3.31Å; K361-A414 WeakPolarHBondContact O-CB 3.48Å; L363-A414 HydrophobicContact CD1-CB 3.62Å; L363-A414 HydrophobicContact CD2-CB 4.08Å; L363-A414 HydrophobicContact CG-CB 3.71Å; V379-A414 HydrophobicContact CG1-CB 4.45Å; M380-A414 PolarHBondContact O-N 3.03Å; V381-A414 WeakPolarHBondContact CA-O 3.21Å; V382-A414 PolarHBondContact N-O 3.03Å; V412-A414 HydrophobicContact CG1-CB 4.39Å
415	A	98.2	Very high	95.6	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.4	-179.5	0	0	0	0	0	111.8	V360 K361 L363 V382 M395	V360-A415 HydrophobicContact CG1-CB 3.59Å; K361-A415 PolarHBondContact O-N 3.13Å; L363-A415 PolarHBondContact N-O 2.92Å; V382-A415 HydrophobicContact CB-CB 4.27Å; V382-A415 CarbonylContact O-C 3.55Å; V382-A415 VanDerWaalsContact O-CA 3.29Å; V382-A415 WeakPolarHBondContact O-CA 3.49Å; M395-A415 HydrophobicContact CE-CB 3.73Å
416	M	98.2	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.9	-176.5	-168.7	175.4	-177	0	0	110.3	L363 A365 F368 V382 F383 H384 A418 N421 D422	L363-M416 HydrophobicContact CB-CB 3.82Å; L363-M416 HydrophobicContact CB-CG 4.12Å; L363-M416 HydrophobicContact CD1-CB 4.45Å; A365-M416 HydrophobicContact CB-CE 4.18Å; F368-M416 HydrophobicContact CD2-CE 4.24Å; F368-M416 HydrophobicContact CD2-SD 3.53Å; F368-M416 VanDerWaalsContact CD2-SD 3.53Å; F368-M416 HydrophobicContact CE2-SD 3.74Å; V382-M416 PolarHBondContact O-N 3.42Å; F383-M416 WeakPolarHBondContact CA-O 3.35Å; F383-M416 HydrophobicContact CD1-CB 4.01Å; F383-M416 HydrophobicContact CD1-CG 4.4Å; F383-M416 HydrophobicContact CD1-SD 3.94Å; F383-M416 HydrophobicContact CE1-CB 4.32Å; F383-M416 HydrophobicContact CE1-SD 3.58Å; F383-M416 VanDerWaalsContact CE1-SD 3.58Å; H384-M416 PolarHBondContact CD2-O 3Å; H384-M416 VanDerWaalsContact CD2-O 3.24Å; H384-M416 PolarHBondContact N-O 3.31Å; M416-A418 PolarHBondContact O-N 3.07Å; M416-N421 HydrophobicContact CE-CB 3.22Å; M416-N421 HydrophobicContact CG-CB 4.31Å; M416-D422 WeakPolarHBondContact CE-O 3.13Å
417	D	97.5	Very high	95.6	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	102	164.4	-166.3	-45.1	0	0	0	109	H384 G386 T419 A420 N421	H384-D417 IonicContact CE1-OD2 3.76Å; H384-D417 IonicContact ND1-OD2 2.71Å; H384-D417 CarbonylContact O-C 3.56Å; H384-D417 WeakPolarHBondContact O-CA 3.46Å; G386-D417 PolarHBondContact N-OD2 3.37Å; D417-T419 PolarHBondContact O-N 3.22Å; D417-T419 WeakPolarHBondContact OD1-CA 3.39Å; D417-T419 WeakPolarHBondContact OD1-CB 3.45Å; D417-T419 PolarHBondContact OD1-N 3.39Å; D417-T419 PolarHBondContact OD1-OG1 3.32Å; D417-A420 HydrophobicContact CB-CB 4.14Å; D417-A420 PolarHBondContact O-N 2.9Å; D417-A420 PolarHBondContact OD1-N 3.05Å; D417-N421 PolarHBondContact O-N 2.98Å; D417-N421 VanDerWaalsContact O-N 3.11Å; D417-N421 PolarHBondContact O-ND2 2.81Å
418	A	97	Very high	95.7	Very high	21 Å²	21	35.5 Å²	35.5	17%	0.174	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2	-177.8	0	0	0	0	0	113.4	F383 H384 M416 V423 V429 F432	F383-A418 HydrophobicContact CB-CB 4.1Å; F383-A418 HydrophobicContact CD1-CB 4.16Å; H384-A418 PolarHBondContact O-N 2.88Å; M416-A418 PolarHBondContact O-N 3.07Å; A418-V423 HydrophobicContact CB-CG2 3.48Å; A418-V423 VanDerWaalsContact CB-CG2 3.48Å; A418-V429 HydrophobicContact CB-CG1 4.39Å; A418-F432 HydrophobicContact CB-CE1 3.74Å; A418-F432 HydrophobicContact CB-CZ 4.33Å
419	T	93.2	Very high	95.7	Very high	53 Å²	53	36.7 Å²	36.7	33%	0.325	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-27.1	168.3	70.3	0	0	0	0	112.1	K348 A385 D417 F432	K348-T419 PolarHBondContact NZ-O 2.81Å; A385-T419 HydrophobicContact CB-CG2 3.5Å; D417-T419 PolarHBondContact O-N 3.22Å; D417-T419 WeakPolarHBondContact OD1-CA 3.39Å; D417-T419 WeakPolarHBondContact OD1-CB 3.45Å; D417-T419 PolarHBondContact OD1-N 3.39Å; D417-T419 PolarHBondContact OD1-OG1 3.32Å; T419-F432 HydrophobicContact CG2-CE2 4.05Å; T419-F432 HydrophobicContact CG2-CZ 3.83Å
420	A	93.7	Very high	95.7	Very high	31 Å²	31	43.4 Å²	43.4	26%	0.256	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-17	178.3	0	0	0	0	0	113.3	E350 D417	E350-A420 HydrophobicContact CG-CB 3.78Å; D417-A420 HydrophobicContact CB-CB 4.14Å; D417-A420 PolarHBondContact O-N 2.9Å; D417-A420 PolarHBondContact OD1-N 3.05Å
421	N	95.4	Very high	95.7	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	-133.2	143.9	-174.4	-57.4	-89.7	0	0	0	111.5	K348 S349 E350 V364 A365 M416 D417 V423	K348-N421 CarbonylContact O-C 3.58Å; K348-N421 VanDerWaalsContact O-CA 3.32Å; K348-N421 WeakPolarHBondContact O-CA 3.46Å; S349-N421 WeakPolarHBondContact CA-OD1 3.19Å; S349-N421 PolarHBondContact OG-OD1 2.96Å; E350-N421 PolarHBondContact N-OD1 2.75Å; E350-N421 PolarHBondContact OE2-ND2 2.79Å; V364-N421 VanDerWaalsContact CA-OD1 3.31Å; V364-N421 WeakPolarHBondContact CA-OD1 3.46Å; V364-N421 WeakPolarHBondContact CB-OD1 3.15Å; A365-N421 HydrophobicContact CB-CB 4.26Å; A365-N421 PolarHBondContact N-OD1 3.3Å; M416-N421 HydrophobicContact CE-CB 3.22Å; M416-N421 HydrophobicContact CG-CB 4.31Å; D417-N421 PolarHBondContact O-N 2.98Å; D417-N421 VanDerWaalsContact O-N 3.11Å; D417-N421 PolarHBondContact O-ND2 2.81Å; N421-V423 PolarHBondContact O-N 3.39Å
422	D	93.6	Very high	95.7	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.273	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.6	169.4	-78.6	-21.9	0	0	0	109.7	V347 K348 M416 P424	V347-D422 HydrophobicContact CG1-CB 3.76Å; K348-D422 HydrophobicContact CB-CB 4.32Å; K348-D422 VanDerWaalsContact CB-CG 3.47Å; K348-D422 WeakPolarHBondContact CB-OD1 3.46Å; K348-D422 WeakPolarHBondContact CB-OD2 3.29Å; K348-D422 PolarHBondContact N-OD2 2.94Å; K348-D422 PolarHBondContact O-N 3.25Å; M416-D422 WeakPolarHBondContact CE-O 3.13Å; D422-P424 WeakPolarHBondContact O-CD 3.37Å
423	V	95.2	Very high	95.7	Very high	46 Å²	46	44.1 Å²	44.1	28%	0.279	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-86.8	121.6	178.7	176.4	0	0	0	0	109.4	F383 A418 N421 V429	F383-V423 HydrophobicContact CD1-CG1 4.11Å; F383-V423 HydrophobicContact CD1-CG2 3.89Å; F383-V423 HydrophobicContact CE1-CB 4.38Å; F383-V423 HydrophobicContact CE1-CG1 3.59Å; F383-V423 HydrophobicContact CE1-CG2 4.04Å; F383-V423 HydrophobicContact CZ-CG1 3.99Å; A418-V423 HydrophobicContact CB-CG2 3.48Å; A418-V423 VanDerWaalsContact CB-CG2 3.48Å; N421-V423 PolarHBondContact O-N 3.39Å; V423-V429 HydrophobicContact CG1-CG2 4.04Å; V423-V429 HydrophobicContact CG2-CG2 4.21Å
424	P	92.4	Very high	95.6	Very high	42 Å²	42	44.7 Å²	44.7	27%	0.273	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.4	157.7	178.6	-23.6	36.5	0	0	0	113.3	F368 D422 Y427	F368-P424 HydrophobicContact CB-CG 4.28Å; F368-P424 HydrophobicContact CD1-CB 4.35Å; F368-P424 HydrophobicContact CD1-CG 3.69Å; F368-P424 HydrophobicContact CD2-CG 4.35Å; F368-P424 HydrophobicContact CE1-CB 4.43Å; F368-P424 HydrophobicContact CE1-CG 4.1Å; F368-P424 HydrophobicContact CG-CG 3.83Å; D422-P424 WeakPolarHBondContact O-CD 3.37Å; P424-Y427 WeakPolarHBondContact O-CD2 3.29Å; P424-Y427 PolarHBondContact O-N 3.03Å
425	S	91.4	Very high	95.7	Very high	111 Å²	111	45.1 Å²	45.1	78%	0.776	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	147.6	163.3	-176.7	0	0	0	0	110.2
426	P	94.3	Very high	95.7	Very high	51 Å²	51	46.2 Å²	46.2	33%	0.331	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.5	16.9	3.4	38.5	-36.1	0	0	0	114.4	Q428 P446	P426-Q428 PolarHBondContact O-N 2.91Å; P426-P446 VanDerWaalsContact CG-CD 3.49Å; P426-P446 HydrophobicContact CG-CG 3.68Å
427	Y	96.8	Very high	95.7	Very high	14 Å²	14	46.3 Å²	46.3	6%	0.055	26%	0.258	C	S	.	.			trans	-71.8	120.3	-172.9	-56.2	-86.3	0	0	0	111.6	F368 V372 V381 F383 P424 Y436 V438 P446	F368-Y427 HydrophobicContact CE1-CD2 4.04Å; F368-Y427 AromaticContact CE1-CE2 3.44Å; F368-Y427 HydrophobicContact CE1-CE2 3.44Å; F368-Y427 VanDerWaalsContact CE1-CE2 3.44Å; F368-Y427 AromaticContact CZ-CD2 3.76Å; F368-Y427 HydrophobicContact CZ-CD2 3.76Å; F368-Y427 HydrophobicContact CZ-CE1 4.46Å; F368-Y427 AromaticContact CZ-CE2 3.44Å; F368-Y427 HydrophobicContact CZ-CE2 3.44Å; F368-Y427 VanDerWaalsContact CZ-CE2 3.44Å; F368-Y427 HydrophobicContact CZ-CG 4.45Å; F368-Y427 AromaticContact CZ-CZ 3.82Å; V372-Y427 WeakPolarHBondContact CG1-OH 3.44Å; V381-Y427 HydrophobicContact CG1-CE1 4.07Å; F383-Y427 AromaticContact CE2-CD1 3.57Å; F383-Y427 HydrophobicContact CE2-CD1 3.57Å; F383-Y427 HydrophobicContact CE2-CE1 4.34Å; F383-Y427 AromaticContact CE2-CG 3.84Å; F383-Y427 HydrophobicContact CE2-CG 3.84Å; F383-Y427 AromaticContact CZ-CD1 3.74Å; F383-Y427 HydrophobicContact CZ-CD1 3.74Å; F383-Y427 HydrophobicContact CZ-CD2 4.17Å; F383-Y427 HydrophobicContact CZ-CE1 4.41Å; F383-Y427 AromaticContact CZ-CG 3.59Å; F383-Y427 HydrophobicContact CZ-CG 3.59Å; P424-Y427 WeakPolarHBondContact O-CD2 3.29Å; P424-Y427 PolarHBondContact O-N 3.03Å; Y427-Y436 HydrophobicContact CD1-CD1 4.39Å; Y427-Y436 AromaticContact CD1-CD2 3.73Å; Y427-Y436 HydrophobicContact CD1-CD2 3.73Å; Y427-Y436 HydrophobicContact CD1-CE2 4.18Å; Y427-Y436 AromaticContact CD1-CG 3.84Å; Y427-Y436 HydrophobicContact CD1-CG 3.84Å; Y427-Y436 HydrophobicContact CE1-CG 4.24Å; Y427-V438 HydrophobicContact CE1-CG2 3.89Å; Y427-V438 WeakPolarHBondContact OH-CG2 3.48Å; Y427-P446 HydrophobicContact CD1-CB 4.26Å; Y427-P446 HydrophobicContact CD1-CG 4.09Å; Y427-P446 HydrophobicContact CE1-CB 3.61Å; Y427-P446 HydrophobicContact CE1-CG 3.75Å
428	Q	94.7	Very high	95.7	Very high	111 Å²	111	45.2 Å²	45.2	52%	0.519	25%	0.252	S	S	.	.			trans	-103.4	104.7	177	-63.8	-177.8	26.1	0	0	110.3	P426 Y436	P426-Q428 PolarHBondContact O-N 2.91Å; Q428-Y436 PolarHBondContact N-OH 3.19Å; Q428-Y436 PolarHBondContact O-OH 2.83Å; Q428-Y436 VanDerWaalsContact O-OH 3.13Å
429	V	96.1	Very high	95.8	Very high	41 Å²	41	45 Å²	45	25%	0.248	25%	0.248	C	C	.	.			trans	-97.8	98	177.7	-177.8	0	0	0	0	109.1	F383 A418 V423 F432 T434	F383-V429 HydrophobicContact CB-CG1 4.18Å; F383-V429 HydrophobicContact CB-CG2 3.62Å; F383-V429 HydrophobicContact CD1-CG2 3.97Å; F383-V429 HydrophobicContact CD2-CG2 3.85Å; F383-V429 HydrophobicContact CG-CG2 3.53Å; A418-V429 HydrophobicContact CB-CG1 4.39Å; V423-V429 HydrophobicContact CG1-CG2 4.04Å; V423-V429 HydrophobicContact CG2-CG2 4.21Å; V429-F432 HydrophobicContact CG1-CD1 4Å; V429-F432 HydrophobicContact CG1-CE1 3.5Å; V429-F432 HydrophobicContact CG1-CZ 4.13Å; V429-T434 HydrophobicContact CG2-CG2 4.41Å
430	R	93.3	Very high	96	Very high	217 Å²	217	45.3 Å²	45.3	82%	0.819	25%	0.245	S	C	*	.			trans	-95.5	-9.9	178.8	-60.3	-176.8	-172.2	177.3	3.6	113.4
431	G	95.5	Very high	96.1	Very high	33 Å²	33	46.2 Å²	46.2	34%	0.34	26%	0.258	S	S	.	.	S	Bend	trans	-172.2	175.8	-178.5	0	0	0	0	0	111.2	T434	G431-T434 PolarHBondContact O-OG1 2.91Å
432	F	97.7	Very high	96.1	Very high	51 Å²	51	52.5 Å²	52.5	22%	0.224	29%	0.285	C	S	.	.	S	Bend	trans	-124.8	135.9	-174.5	-58.4	-68.3	0	0	0	111.9	H384 A385 W387 C388 A418 T419 V429	H384-F432 VanDerWaalsContact C-CD1 3.45Å; H384-F432 WeakPolarHBondContact O-CE1 3.42Å; A385-F432 HydrophobicContact CB-CB 4.45Å; A385-F432 HydrophobicContact CB-CD1 4.14Å; A385-F432 HydrophobicContact CB-CD2 3.66Å; A385-F432 HydrophobicContact CB-CE1 4.28Å; A385-F432 HydrophobicContact CB-CE2 3.83Å; A385-F432 HydrophobicContact CB-CG 3.82Å; A385-F432 HydrophobicContact CB-CZ 4.13Å; W387-F432 HydrophobicContact CH2-CD2 4.05Å; W387-F432 HydrophobicContact CH2-CE2 4.37Å; W387-F432 HydrophobicContact CZ2-CD2 4.17Å; W387-F432 HydrophobicContact CZ2-CE2 4.11Å; C388-F432 HydrophobicContact CB-CB 4.07Å; C388-F432 PolarHBondContact SG-O 3.27Å; A418-F432 HydrophobicContact CB-CE1 3.74Å; A418-F432 HydrophobicContact CB-CZ 4.33Å; T419-F432 HydrophobicContact CG2-CE2 4.05Å; T419-F432 HydrophobicContact CG2-CZ 3.83Å; V429-F432 HydrophobicContact CG1-CD1 4Å; V429-F432 HydrophobicContact CG1-CE1 3.5Å; V429-F432 HydrophobicContact CG1-CZ 4.13Å
433	P	97.7	Very high	96.2	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.084	27%	0.274	C	S	.	.	S	Bend	cis	-73.7	147.4	-9.1	30.4	-33.3	0	0	0	111.6	V382 F383 C391 L394 I435	V382-P433 HydrophobicContact CG1-CB 4.19Å; F383-P433 WeakPolarHBondContact O-CA 3.27Å; C391-P433 VanDerWaalsContact SG-N 3.44Å; L394-P433 HydrophobicContact CD2-CB 3.72Å; L394-P433 HydrophobicContact CD2-CG 3.66Å; P433-I435 HydrophobicContact CB-CG1 4.42Å
434	T	98.3	Very high	96.2	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	163.4	-67.8	0	0	0	0	107.7	F383 V429 G431 Y436	F383-T434 PolarHBondContact N-O 2.8Å; F383-T434 PolarHBondContact O-N 3.14Å; V429-T434 HydrophobicContact CG2-CG2 4.41Å; G431-T434 PolarHBondContact O-OG1 2.91Å; T434-Y436 HydrophobicContact CG2-CD2 3.91Å; T434-Y436 HydrophobicContact CG2-CE2 3.37Å
435	I	98.5	Very high	96.4	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.046	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.2	-173.3	-48.7	179	0	0	0	109.2	M380 V381 V382 L394 P433 Y449	M380-I435 HydrophobicContact CE-CG2 3.51Å; M380-I435 HydrophobicContact CG-CG2 4.14Å; V381-I435 WeakPolarHBondContact O-CA 3.28Å; V382-I435 HydrophobicContact CG1-CG1 4.43Å; V382-I435 HydrophobicContact CG2-CD1 4.28Å; V382-I435 HydrophobicContact CG2-CG1 4.08Å; V382-I435 HydrophobicContact CG2-CG2 4.13Å; L394-I435 HydrophobicContact CD2-CD1 3.63Å; L394-I435 HydrophobicContact CD2-CG1 4.4Å; P433-I435 HydrophobicContact CB-CG1 4.42Å; I435-Y449 HydrophobicContact CB-CD1 4.15Å; I435-Y449 HydrophobicContact CB-CG 4.39Å; I435-Y449 HydrophobicContact CD1-CD1 3.95Å; I435-Y449 HydrophobicContact CD1-CE1 4.36Å; I435-Y449 HydrophobicContact CG2-CD1 4.17Å; I435-Y449 HydrophobicContact CG2-CG 4.13Å; I435-Y449 PolarHBondContact O-N 2.88Å
436	Y	98.6	Very high	96.7	Very high	27 Å²	27	50.4 Å²	50.4	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.8	174.2	-73.8	-91.2	0	0	0	110.9	M380 V381 F383 Y427 Q428 T434 P446 V447	M380-Y436 CarbonylContact C-O 3.56Å; M380-Y436 WeakPolarHBondContact CA-O 3.29Å; V381-Y436 PolarHBondContact N-O 3.49Å; V381-Y436 PolarHBondContact O-N 2.89Å; F383-Y436 HydrophobicContact CD2-CD2 4.11Å; F383-Y436 AromaticContact CE2-CD2 3.86Å; F383-Y436 HydrophobicContact CE2-CD2 3.86Å; F383-Y436 HydrophobicContact CE2-CE2 4.44Å; Y427-Y436 HydrophobicContact CD1-CD1 4.39Å; Y427-Y436 AromaticContact CD1-CD2 3.73Å; Y427-Y436 HydrophobicContact CD1-CD2 3.73Å; Y427-Y436 HydrophobicContact CD1-CE2 4.18Å; Y427-Y436 AromaticContact CD1-CG 3.84Å; Y427-Y436 HydrophobicContact CD1-CG 3.84Å; Y427-Y436 HydrophobicContact CE1-CG 4.24Å; Q428-Y436 PolarHBondContact N-OH 3.19Å; Q428-Y436 PolarHBondContact O-OH 2.83Å; Q428-Y436 VanDerWaalsContact O-OH 3.13Å; T434-Y436 HydrophobicContact CG2-CD2 3.91Å; T434-Y436 HydrophobicContact CG2-CE2 3.37Å; Y436-P446 HydrophobicContact CD1-CB 3.88Å; Y436-P446 HydrophobicContact CD1-CG 4.25Å; Y436-P446 HydrophobicContact CG-CB 4.34Å; Y436-V447 CarbonylContact C-O 3.53Å; Y436-V447 WeakPolarHBondContact CA-O 3.26Å
437	F	98.5	Very high	96.8	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.9	163.1	-178.4	-105.5	0	0	0	109	D378 V379 M380 L411 P439 P446 V447 Y461 L462 E465	D378-F437 HydrophobicContact CB-CE2 3.9Å; D378-F437 HydrophobicContact CB-CZ 3.74Å; V379-F437 CarbonylContact O-C 3.59Å; M380-F437 HydrophobicContact CB-CD2 4.31Å; L411-F437 HydrophobicContact CD1-CE2 4.45Å; F437-P439 HydrophobicContact CD1-CG 3.94Å; F437-P439 HydrophobicContact CE1-CB 4.09Å; F437-P439 HydrophobicContact CE1-CG 3.82Å; F437-P446 CarbonylContact O-C 3.31Å; F437-P446 WeakPolarHBondContact O-CA 3.47Å; F437-V447 PolarHBondContact N-O 3.3Å; F437-V447 PolarHBondContact O-N 3.06Å; F437-Y461 HydrophobicContact CB-CE1 3.76Å; F437-Y461 HydrophobicContact CD2-CE1 4.38Å; F437-Y461 AromaticContact CG-CE1 3.99Å; F437-Y461 HydrophobicContact CG-CE1 3.99Å; F437-L462 HydrophobicContact CD2-CD2 4.2Å; F437-L462 HydrophobicContact CE2-CD2 4.14Å; F437-E465 HydrophobicContact CD1-CB 4.2Å; F437-E465 HydrophobicContact CE1-CB 4.03Å; F437-E465 WeakPolarHBondContact CE1-O 3.2Å; F437-E465 HydrophobicContact CZ-CB 4.48Å
438	V	98.3	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	93.8	-171.5	-165.4	0	0	0	0	107.5	V372 V379 V381 Y427 K443 P446	V372-V438 HydrophobicContact CG1-CB 4.36Å; V372-V438 HydrophobicContact CG1-CG1 4.3Å; V372-V438 HydrophobicContact CG1-CG2 3.9Å; V379-V438 HydrophobicContact CB-CB 4.25Å; V379-V438 PolarHBondContact N-O 3.4Å; V379-V438 WeakPolarHBondContact O-CB 3.11Å; V379-V438 PolarHBondContact O-N 2.98Å; V381-V438 HydrophobicContact CG1-CG2 4.15Å; Y427-V438 HydrophobicContact CE1-CG2 3.89Å; Y427-V438 WeakPolarHBondContact OH-CG2 3.48Å; V438-K443 HydrophobicContact CG1-CD 3.61Å; V438-P446 HydrophobicContact CG2-CB 4.03Å
439	P	98.1	Very high	97	Very high	16 Å²	16	48.6 Å²	48.6	10%	0.104	27%	0.273	C	S	.	.			trans	-65.6	149.5	-173.2	-15.9	27.6	0	0	0	112.1	D378 F437 G441 K442	D378-P439 WeakPolarHBondContact OD1-CA 3.34Å; F437-P439 HydrophobicContact CD1-CG 3.94Å; F437-P439 HydrophobicContact CE1-CB 4.09Å; F437-P439 HydrophobicContact CE1-CG 3.82Å; P439-G441 PolarHBondContact O-N 3.39Å; P439-K442 HydrophobicContact CB-CB 4.18Å; P439-K442 HydrophobicContact CB-CD 4.5Å; P439-K442 HydrophobicContact CG-CB 4.39Å; P439-K442 PolarHBondContact O-N 3.35Å; P439-K442 VanDerWaalsContact O-N 3.08Å
440	K	97.6	Very high	96.9	Very high	60 Å²	60	54.8 Å²	54.8	26%	0.261	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	132.7	166	-177	-179.5	176.2	170.7	0	110.1	E375 E376 K377 D378 K442 T467 E468	E375-K440 WeakPolarHBondContact O-CG 3.42Å; E376-K440 WeakPolarHBondContact O-CD 3.14Å; K377-K440 WeakPolarHBondContact O-CA 3.38Å; K377-K440 PolarHBondContact O-N 3.2Å; D378-K440 WeakPolarHBondContact OD1-CB 3.34Å; D378-K440 PolarHBondContact OD1-N 3.33Å; K440-K442 PolarHBondContact O-N 3.19Å; K440-T467 HydrophobicContact CB-CG2 4.21Å; K440-E468 IonicContact NZ-OE1 2.71Å; K440-E468 PolarHBondContact NZ-OE1 3.43Å
441	G	96.1	Very high	96.9	Very high	51 Å²	51	46.2 Å²	46.2	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	2.2	-179	0	0	0	0	0	116.4	E375 P439	E375-G441 PolarHBondContact O-N 3.14Å; E375-G441 WeakPolarHBondContact OE2-CA 3.46Å; E375-G441 PolarHBondContact OE2-N 3.13Å; P439-G441 PolarHBondContact O-N 3.39Å
442	K	96.4	Very high	96.9	Very high	135 Å²	135	46.2 Å²	46.2	59%	0.587	28%	0.278	S	S	*	.			trans	-134.5	43.1	-174.7	-61.2	-175.3	-178.5	175	0	113.2	P439 K440 S444 S445	P439-K442 HydrophobicContact CB-CB 4.18Å; P439-K442 HydrophobicContact CB-CD 4.5Å; P439-K442 HydrophobicContact CG-CB 4.39Å; P439-K442 PolarHBondContact O-N 3.35Å; P439-K442 VanDerWaalsContact O-N 3.08Å; K440-K442 PolarHBondContact O-N 3.19Å; K442-S444 VanDerWaalsContact C-N 3.29Å; K442-S444 PolarHBondContact O-N 3.38Å; K442-S445 PolarHBondContact O-N 3.38Å
443	K	95.6	Very high	96.8	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.048	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.8	-171.9	-54.6	-51.6	-174.3	162.5	0	115.2	V372 N373 N374 E375 K377 V438 S445	V372-K443 WeakPolarHBondContact O-CD 3.4Å; V372-K443 PolarHBondContact O-NZ 3.48Å; N373-K443 HydrophobicContact CB-CB 4.44Å; N373-K443 HydrophobicContact CB-CG 4.5Å; N374-K443 VanDerWaalsContact C-CE 3.46Å; N374-K443 WeakPolarHBondContact O-CE 3.42Å; N374-K443 PolarHBondContact O-NZ 3.1Å; E375-K443 WeakPolarHBondContact OE1-CG 3.15Å; K377-K443 PolarHBondContact O-NZ 2.85Å; V438-K443 HydrophobicContact CG1-CD 3.61Å; K443-S445 VanDerWaalsContact C-N 3.26Å; K443-S445 PolarHBondContact O-N 2.86Å
444	S	94.4	Very high	96.8	Very high	99 Å²	99	52.2 Å²	52.2	69%	0.692	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-5.7	175.5	59.9	0	0	0	0	114.3	K442 P446	K442-S444 VanDerWaalsContact C-N 3.29Å; K442-S444 PolarHBondContact O-N 3.38Å; S444-P446 VanDerWaalsContact C-CD 3.49Å
445	S	96.2	Very high	96.8	Very high	74 Å²	74	51.8 Å²	51.8	52%	0.517	30%	0.301	S	S	.	.	S	Bend	trans	-131.4	60.7	-176.3	-61.3	0	0	0	0	112.1	K442 K443	K442-S445 PolarHBondContact O-N 3.38Å; K443-S445 VanDerWaalsContact C-N 3.26Å; K443-S445 PolarHBondContact O-N 2.86Å
446	P	97.4	Very high	96.7	Very high	23 Å²	23	56.1 Å²	56.1	15%	0.149	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.4	142.7	176	31	-36.4	0	0	0	110.7	P426 Y427 Y436 F437 V438 S444	P426-P446 VanDerWaalsContact CG-CD 3.49Å; P426-P446 HydrophobicContact CG-CG 3.68Å; Y427-P446 HydrophobicContact CD1-CB 4.26Å; Y427-P446 HydrophobicContact CD1-CG 4.09Å; Y427-P446 HydrophobicContact CE1-CB 3.61Å; Y427-P446 HydrophobicContact CE1-CG 3.75Å; Y436-P446 HydrophobicContact CD1-CB 3.88Å; Y436-P446 HydrophobicContact CD1-CG 4.25Å; Y436-P446 HydrophobicContact CG-CB 4.34Å; F437-P446 CarbonylContact O-C 3.31Å; F437-P446 WeakPolarHBondContact O-CA 3.47Å; V438-P446 HydrophobicContact CG2-CB 4.03Å; S444-P446 VanDerWaalsContact C-CD 3.49Å
447	V	97.8	Very high	96.7	Very high	72 Å²	72	57.5 Å²	57.5	44%	0.436	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.4	-178.8	-176.9	0	0	0	0	108.9	Y436 F437	Y436-V447 CarbonylContact C-O 3.53Å; Y436-V447 WeakPolarHBondContact CA-O 3.26Å; F437-V447 PolarHBondContact N-O 3.3Å; F437-V447 PolarHBondContact O-N 3.06Å
448	S	97.7	Very high	96.7	Very high	49 Å²	49	57.4 Å²	57.4	34%	0.343	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.8	176.3	-163.2	0	0	0	0	110.5
449	Y	97.8	Very high	96.7	Very high	16 Å²	16	57.6 Å²	57.6	6%	0.063	34%	0.335	C	S	.	.			trans	-86.6	115.6	177.8	170.9	-92.4	0	0	0	110.7	M380 I435 G451 G452 Y461	M380-Y449 HydrophobicContact CE-CD1 4.16Å; M380-Y449 HydrophobicContact CE-CD2 3.66Å; M380-Y449 HydrophobicContact CE-CE1 4.41Å; M380-Y449 HydrophobicContact CE-CE2 3.94Å; M380-Y449 HydrophobicContact CE-CG 3.77Å; I435-Y449 HydrophobicContact CB-CD1 4.15Å; I435-Y449 HydrophobicContact CB-CG 4.39Å; I435-Y449 HydrophobicContact CD1-CD1 3.95Å; I435-Y449 HydrophobicContact CD1-CE1 4.36Å; I435-Y449 HydrophobicContact CG2-CD1 4.17Å; I435-Y449 HydrophobicContact CG2-CG 4.13Å; I435-Y449 PolarHBondContact O-N 2.88Å; Y449-G451 WeakPolarHBondContact CE1-O 3.37Å; Y449-G451 VanDerWaalsContact CZ-CA 3.42Å; Y449-G451 WeakPolarHBondContact OH-CA 3.44Å; Y449-G452 WeakPolarHBondContact CE1-O 3.44Å; Y449-G452 PolarHBondContact OH-N 2.75Å; Y449-G452 PolarHBondContact OH-O 3.1Å; Y449-Y461 AromaticContact CD2-CD1 3.62Å; Y449-Y461 HydrophobicContact CD2-CD1 3.62Å; Y449-Y461 AromaticContact CD2-CD2 3.48Å; Y449-Y461 HydrophobicContact CD2-CD2 3.48Å; Y449-Y461 VanDerWaalsContact CD2-CD2 3.48Å; Y449-Y461 AromaticContact CD2-CE1 3.76Å; Y449-Y461 HydrophobicContact CD2-CE1 3.76Å; Y449-Y461 AromaticContact CD2-CE2 3.61Å; Y449-Y461 HydrophobicContact CD2-CE2 3.61Å; Y449-Y461 AromaticContact CD2-CG 3.49Å; Y449-Y461 HydrophobicContact CD2-CG 3.49Å; Y449-Y461 VanDerWaalsContact CD2-CG 3.49Å; Y449-Y461 AromaticContact CD2-CZ 3.75Å; Y449-Y461 AromaticContact CE2-CD1 3.85Å; Y449-Y461 HydrophobicContact CE2-CD1 3.85Å; Y449-Y461 AromaticContact CE2-CD2 3.49Å; Y449-Y461 HydrophobicContact CE2-CD2 3.49Å; Y449-Y461 VanDerWaalsContact CE2-CD2 3.49Å; Y449-Y461 HydrophobicContact CE2-CE1 4.44Å; Y449-Y461 HydrophobicContact CE2-CE2 4.11Å; Y449-Y461 AromaticContact CE2-CG 3.34Å; Y449-Y461 HydrophobicContact CE2-CG 3.34Å
450	E	92.9	Very high	96.7	Very high	171 Å²	171	61.6 Å²	61.6	80%	0.799	35%	0.351	S	S	*	.			trans	-115.8	51.7	-180	-64.4	-65.6	167.1	0	0	111.1
451	G	93.7	Very high	96.7	Very high	38 Å²	38	59.6 Å²	59.6	39%	0.392	34%	0.341	S	S	.	.	S	Bend	trans	-119.9	-177.7	-177.9	0	0	0	0	0	114.4	Y449	Y449-G451 WeakPolarHBondContact CE1-O 3.37Å; Y449-G451 VanDerWaalsContact CZ-CA 3.42Å; Y449-G451 WeakPolarHBondContact OH-CA 3.44Å
452	G	95.3	Very high	96.8	Very high	32 Å²	32	57.2 Å²	57.2	33%	0.33	32%	0.316	S	S	.	.			trans	-64	162.2	175.8	0	0	0	0	0	112.9	Y449 D457	Y449-G452 WeakPolarHBondContact CE1-O 3.44Å; Y449-G452 PolarHBondContact OH-N 2.75Å; Y449-G452 PolarHBondContact OH-O 3.1Å; G452-D457 WeakPolarHBondContact CA-OD2 3.5Å
453	R	95.9	Very high	96.9	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	29%	0.289	S	S	.	.	S	Bend	trans	-106.2	11.8	-175.6	-66.4	-177	-178.3	171.3	0.1	113	L394 K397	L394-R453 HydrophobicContact CD1-CB 3.94Å; L394-R453 HydrophobicContact CD1-CG 4.18Å; K397-R453 WeakPolarHBondContact CD-O 3.37Å
454	D	97.7	Very high	97	Very high	85 Å²	85	57 Å²	57	46%	0.455	31%	0.312	S	S	.	.	S	Bend	trans	-89.1	152.4	174.3	-67.3	-40.8	0	0	0	111.6	K397 N456 D457 I458	K397-D454 WeakPolarHBondContact CE-OD1 3.1Å; K397-D454 IonicContact NZ-OD1 2.66Å; K397-D454 PolarHBondContact NZ-OD1 3.46Å; D454-N456 PolarHBondContact O-N 2.84Å; D454-N456 VanDerWaalsContact O-N 3.14Å; D454-D457 WeakPolarHBondContact O-CB 3.24Å; D454-D457 PolarHBondContact O-N 3.47Å; D454-I458 PolarHBondContact O-N 2.92Å; D454-I458 VanDerWaalsContact O-N 3.12Å
455	T	97.9	Very high	97.1	Very high	11 Å²	11	56 Å²	56	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-48.4	-44	-179.1	-53	0	0	0	0	111.9	K397 E400 A401 K404 I459	K397-T455 PolarHBondContact O-OG1 2.96Å; E400-T455 HydrophobicContact CB-CG2 3.98Å; E400-T455 HydrophobicContact CG-CG2 3.88Å; E400-T455 WeakPolarHBondContact OE2-CB 3.18Å; E400-T455 PolarHBondContact OE2-OG1 2.9Å; A401-T455 HydrophobicContact CB-CG2 4Å; K404-T455 HydrophobicContact CD-CG2 4.09Å; T455-I459 HydrophobicContact CG2-CD1 4.04Å; T455-I459 WeakPolarHBondContact O-CG1 3.41Å; T455-I459 PolarHBondContact O-N 2.72Å
456	N	97.4	Very high	97.2	Very high	100 Å²	100	52.6 Å²	52.6	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-71.3	-32.4	-179.1	-68.6	-18.7	0	0	0	113.1	D454 K460	D454-N456 PolarHBondContact O-N 2.84Å; D454-N456 VanDerWaalsContact O-N 3.14Å; N456-K460 VanDerWaalsContact O-CB 3.3Å; N456-K460 WeakPolarHBondContact O-CB 3.29Å; N456-K460 WeakPolarHBondContact O-CG 3.42Å; N456-K460 PolarHBondContact O-N 3.37Å
457	D	97.9	Very high	97.2	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-41.3	177.6	-62.2	-36.5	0	0	0	110.7	G452 D454 K460 Y461	G452-D457 WeakPolarHBondContact CA-OD2 3.5Å; D454-D457 WeakPolarHBondContact O-CB 3.24Å; D454-D457 PolarHBondContact O-N 3.47Å; D457-K460 PolarHBondContact O-N 2.93Å; D457-Y461 WeakPolarHBondContact O-CB 3.42Å; D457-Y461 PolarHBondContact O-N 3.29Å
458	I	98.4	Very high	97.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-50.8	175	-65	156.9	0	0	0	110	M380 L394 Y398 A401 L413 D454 K460 Y461 L462	M380-I458 HydrophobicContact CE-CG2 4.17Å; M380-I458 HydrophobicContact SD-CG2 3.98Å; L394-I458 HydrophobicContact CD1-CD1 4.28Å; Y398-I458 HydrophobicContact CD2-CD1 3.99Å; Y398-I458 HydrophobicContact CD2-CG2 4.34Å; Y398-I458 HydrophobicContact CE2-CG2 4.34Å; A401-I458 HydrophobicContact CB-CB 4.16Å; A401-I458 HydrophobicContact CB-CD1 4.48Å; A401-I458 HydrophobicContact CB-CG2 3.79Å; L413-I458 HydrophobicContact CD2-CG2 4.48Å; D454-I458 PolarHBondContact O-N 2.92Å; D454-I458 VanDerWaalsContact O-N 3.12Å; I458-K460 PolarHBondContact O-N 2.9Å; I458-Y461 PolarHBondContact O-N 2.65Å; I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.36Å; I458-L462 WeakPolarHBondContact O-CB 3.47Å; I458-L462 VanDerWaalsContact O-CG 3.26Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 3.4Å
459	I	98	Very high	97	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-43.3	178.8	-68.7	169.9	0	0	0	111.5	A401 K404 V405 T455 Y461 L462 A463 Y473	A401-I459 HydrophobicContact CB-CG1 4.2Å; K404-I459 HydrophobicContact CB-CD1 3.97Å; K404-I459 HydrophobicContact CD-CD1 3.64Å; K404-I459 HydrophobicContact CG-CD1 4.46Å; V405-I459 HydrophobicContact CG1-CG1 4.33Å; T455-I459 HydrophobicContact CG2-CD1 4.04Å; T455-I459 WeakPolarHBondContact O-CG1 3.41Å; T455-I459 PolarHBondContact O-N 2.72Å; I459-Y461 VanDerWaalsContact C-N 3.32Å; I459-Y461 PolarHBondContact O-N 2.87Å; I459-L462 PolarHBondContact O-N 3.3Å; I459-A463 WeakPolarHBondContact O-CB 3.43Å; I459-A463 PolarHBondContact O-N 3.29Å; I459-Y473 HydrophobicContact CG2-CD1 3.59Å; I459-Y473 HydrophobicContact CG2-CD2 4.38Å; I459-Y473 HydrophobicContact CG2-CE1 3.57Å; I459-Y473 HydrophobicContact CG2-CE2 4.38Å; I459-Y473 HydrophobicContact CG2-CG 4.02Å
460	K	98	Very high	96.9	Very high	100 Å²	100	57.4 Å²	57.4	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-42.8	176.9	-79.4	172.1	174.2	177	0	112.2	N456 D457 I458 R464	N456-K460 VanDerWaalsContact O-CB 3.3Å; N456-K460 WeakPolarHBondContact O-CB 3.29Å; N456-K460 WeakPolarHBondContact O-CG 3.42Å; N456-K460 PolarHBondContact O-N 3.37Å; D457-K460 PolarHBondContact O-N 2.93Å; I458-K460 PolarHBondContact O-N 2.9Å; K460-R464 WeakPolarHBondContact O-CB 3.42Å; K460-R464 PolarHBondContact O-N 3.22Å; K460-R464 VanDerWaalsContact O-N 3.1Å
461	Y	98.4	Very high	97	Very high	18 Å²	18	54.9 Å²	54.9	7%	0.071	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-49	175.7	-179.4	-83.9	0	0	0	111.4	F437 Y449 D457 I458 I459 A463 R464 E465	F437-Y461 HydrophobicContact CB-CE1 3.76Å; F437-Y461 HydrophobicContact CD2-CE1 4.38Å; F437-Y461 AromaticContact CG-CE1 3.99Å; F437-Y461 HydrophobicContact CG-CE1 3.99Å; Y449-Y461 AromaticContact CD2-CD1 3.62Å; Y449-Y461 HydrophobicContact CD2-CD1 3.62Å; Y449-Y461 AromaticContact CD2-CD2 3.48Å; Y449-Y461 HydrophobicContact CD2-CD2 3.48Å; Y449-Y461 VanDerWaalsContact CD2-CD2 3.48Å; Y449-Y461 AromaticContact CD2-CE1 3.76Å; Y449-Y461 HydrophobicContact CD2-CE1 3.76Å; Y449-Y461 AromaticContact CD2-CE2 3.61Å; Y449-Y461 HydrophobicContact CD2-CE2 3.61Å; Y449-Y461 AromaticContact CD2-CG 3.49Å; Y449-Y461 HydrophobicContact CD2-CG 3.49Å; Y449-Y461 VanDerWaalsContact CD2-CG 3.49Å; Y449-Y461 AromaticContact CD2-CZ 3.75Å; Y449-Y461 AromaticContact CE2-CD1 3.85Å; Y449-Y461 HydrophobicContact CE2-CD1 3.85Å; Y449-Y461 AromaticContact CE2-CD2 3.49Å; Y449-Y461 HydrophobicContact CE2-CD2 3.49Å; Y449-Y461 VanDerWaalsContact CE2-CD2 3.49Å; Y449-Y461 HydrophobicContact CE2-CE1 4.44Å; Y449-Y461 HydrophobicContact CE2-CE2 4.11Å; Y449-Y461 AromaticContact CE2-CG 3.34Å; Y449-Y461 HydrophobicContact CE2-CG 3.34Å; D457-Y461 WeakPolarHBondContact O-CB 3.42Å; D457-Y461 PolarHBondContact O-N 3.29Å; I458-Y461 PolarHBondContact O-N 2.65Å; I459-Y461 VanDerWaalsContact C-N 3.32Å; I459-Y461 PolarHBondContact O-N 2.87Å; Y461-A463 VanDerWaalsContact C-N 3.32Å; Y461-A463 PolarHBondContact O-N 3.16Å; Y461-R464 VanDerWaalsContact CD2-NH2 3.32Å; Y461-R464 PolarHBondContact O-N 2.74Å; Y461-R464 VanDerWaalsContact O-N 3.14Å; Y461-E465 HydrophobicContact CD1-CB 4.38Å; Y461-E465 HydrophobicContact CD1-CG 3.99Å; Y461-E465 HydrophobicContact CD2-CG 4.07Å; Y461-E465 HydrophobicContact CE1-CB 4.02Å; Y461-E465 HydrophobicContact CE1-CG 3.67Å; Y461-E465 HydrophobicContact CE2-CG 3.78Å; Y461-E465 HydrophobicContact CG-CG 4.16Å; Y461-E465 WeakPolarHBondContact O-CB 3.36Å; Y461-E465 WeakPolarHBondContact O-CG 3.35Å; Y461-E465 PolarHBondContact O-N 2.68Å
462	L	98.2	Very high	97.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.3	-47.2	178.4	-72.2	169.2	0	0	0	111.4	M380 L411 L413 F437 I458 I459 R464 E465 A466 L470	M380-L462 HydrophobicContact CB-CD2 3.98Å; M380-L462 HydrophobicContact CG-CD2 4.41Å; M380-L462 HydrophobicContact SD-CD1 4.28Å; M380-L462 HydrophobicContact SD-CD2 3.6Å; M380-L462 HydrophobicContact SD-CG 3.95Å; L411-L462 HydrophobicContact CD1-CD2 3.83Å; L411-L462 HydrophobicContact CD2-CB 4.38Å; L411-L462 HydrophobicContact CD2-CD1 4.2Å; L411-L462 HydrophobicContact CD2-CD2 4.23Å; L413-L462 HydrophobicContact CD1-CD1 3.9Å; L413-L462 HydrophobicContact CD2-CD1 4.13Å; L413-L462 HydrophobicContact CG-CD1 4.46Å; F437-L462 HydrophobicContact CD2-CD2 4.2Å; F437-L462 HydrophobicContact CE2-CD2 4.14Å; I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.36Å; I458-L462 WeakPolarHBondContact O-CB 3.47Å; I458-L462 VanDerWaalsContact O-CG 3.26Å; I458-L462 WeakPolarHBondContact O-CG 3.48Å; I458-L462 PolarHBondContact O-N 3.4Å; I459-L462 PolarHBondContact O-N 3.3Å; L462-R464 VanDerWaalsContact C-N 3.3Å; L462-R464 PolarHBondContact O-N 3.04Å; L462-E465 PolarHBondContact O-N 3.41Å; L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 2.79Å; L462-L470 HydrophobicContact CB-CD1 4.49Å
463	A	97.7	Very high	97.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-34.7	179.6	0	0	0	0	0	112.7	I459 Y461 L470 D474 R475	I459-A463 WeakPolarHBondContact O-CB 3.43Å; I459-A463 PolarHBondContact O-N 3.29Å; Y461-A463 VanDerWaalsContact C-N 3.32Å; Y461-A463 PolarHBondContact O-N 3.16Å; A463-L470 HydrophobicContact CB-CD1 3.96Å; A463-D474 VanDerWaalsContact CB-O 3.23Å; A463-D474 WeakPolarHBondContact CB-O 3.17Å; A463-R475 WeakPolarHBondContact O-CD 3.49Å; A463-R475 PolarHBondContact O-NH1 3.28Å
464	R	97.5	Very high	97.1	Very high	140 Å²	140	51.6 Å²	51.6	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-72.7	-45.1	177.2	-172	-179.8	70.2	-141.9	-2	112.7	K460 Y461 L462 R475	K460-R464 WeakPolarHBondContact O-CB 3.42Å; K460-R464 PolarHBondContact O-N 3.22Å; K460-R464 VanDerWaalsContact O-N 3.1Å; Y461-R464 VanDerWaalsContact CD2-NH2 3.32Å; Y461-R464 PolarHBondContact O-N 2.74Å; Y461-R464 VanDerWaalsContact O-N 3.14Å; L462-R464 VanDerWaalsContact C-N 3.3Å; L462-R464 PolarHBondContact O-N 3.04Å; R464-R475 PolarHBondContact O-NH1 3.32Å
465	E	97.5	Very high	97.1	Very high	79 Å²	79	51.9 Å²	51.9	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-95.1	-16	-169.4	-56.7	-60.5	155.8	0	0	114.3	F437 Y461 L462 T467	F437-E465 HydrophobicContact CD1-CB 4.2Å; F437-E465 HydrophobicContact CE1-CB 4.03Å; F437-E465 WeakPolarHBondContact CE1-O 3.2Å; F437-E465 HydrophobicContact CZ-CB 4.48Å; Y461-E465 HydrophobicContact CD1-CB 4.38Å; Y461-E465 HydrophobicContact CD1-CG 3.99Å; Y461-E465 HydrophobicContact CD2-CG 4.07Å; Y461-E465 HydrophobicContact CE1-CB 4.02Å; Y461-E465 HydrophobicContact CE1-CG 3.67Å; Y461-E465 HydrophobicContact CE2-CG 3.78Å; Y461-E465 HydrophobicContact CG-CG 4.16Å; Y461-E465 WeakPolarHBondContact O-CB 3.36Å; Y461-E465 WeakPolarHBondContact O-CG 3.35Å; Y461-E465 PolarHBondContact O-N 2.68Å; L462-E465 PolarHBondContact O-N 3.41Å; E465-T467 PolarHBondContact O-N 3.49Å
466	A	97.5	Very high	97	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.025	28%	0.276	C	S	.	.			trans	-52.4	136.7	178.1	0	0	0	0	0	111.4	L462 E468 L470 R475	L462-A466 WeakPolarHBondContact O-CB 3.36Å; L462-A466 PolarHBondContact O-N 2.79Å; A466-E468 WeakPolarHBondContact CB-O 3.47Å; A466-E468 PolarHBondContact O-N 3.39Å; A466-L470 HydrophobicContact CB-CD2 3.86Å; A466-L470 HydrophobicContact CB-CG 4.34Å; A466-R475 VanDerWaalsContact O-CZ 3.31Å; A466-R475 PolarHBondContact O-NH1 3.33Å; A466-R475 PolarHBondContact O-NH2 2.62Å
467	T	97.2	Very high	96.8	Very high	68 Å²	68	50.9 Å²	50.9	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	-61.3	-38.2	-177.5	-59.3	0	0	0	0	110.5	D378 K440 E465	D378-T467 WeakPolarHBondContact OD1-CB 3.43Å; D378-T467 PolarHBondContact OD1-OG1 3.21Å; D378-T467 WeakPolarHBondContact OD2-CB 3.5Å; D378-T467 PolarHBondContact OD2-N 3.05Å; K440-T467 HydrophobicContact CB-CG2 4.21Å; E465-T467 PolarHBondContact O-N 3.49Å
468	E	95.8	Very high	96.7	Very high	87 Å²	87	52.1 Å²	52.1	41%	0.407	26%	0.262	S	S	.	.	S	Bend	trans	-111	149.3	171.7	-69.2	167.5	-157.6	0	0	109.7	N410 K440 A466 L470	N410-E468 PolarHBondContact ND2-OE2 3.23Å; K440-E468 IonicContact NZ-OE1 2.71Å; K440-E468 PolarHBondContact NZ-OE1 3.43Å; A466-E468 WeakPolarHBondContact CB-O 3.47Å; A466-E468 PolarHBondContact O-N 3.39Å; E468-L470 PolarHBondContact O-N 3.37Å
469	E	96.1	Very high	96.5	Very high	98 Å²	98	56.7 Å²	56.7	46%	0.458	29%	0.291	S	S	.	.			trans	-68.3	133.2	177.7	-167.7	179.6	166.3	0	0	110.1	R475 K480	E469-R475 HydrophobicContact CG-CG 4.16Å; E469-K480 WeakPolarHBondContact OE1-CE 3.36Å; E469-K480 IonicContact OE1-NZ 3.81Å; E469-K480 PolarHBondContact OE1-NZ 3.45Å; E469-K480 IonicContact OE2-NZ 3.67Å
470	L	96.4	Very high	96.2	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	31%	0.307	C	S	.	.			trans	-61.9	146.3	179.9	-57.7	-173.8	0	0	0	111.2	E408 L411 L462 A463 A466 E468 Y473 K480	E408-L470 HydrophobicContact CB-CD2 4.42Å; E408-L470 HydrophobicContact CG-CB 4.44Å; E408-L470 HydrophobicContact CG-CD2 4.1Å; E408-L470 WeakPolarHBondContact OE2-CA 3.5Å; L411-L470 HydrophobicContact CD2-CD1 4.44Å; L411-L470 HydrophobicContact CD2-CD2 4.08Å; L462-L470 HydrophobicContact CB-CD1 4.49Å; A463-L470 HydrophobicContact CB-CD1 3.96Å; A466-L470 HydrophobicContact CB-CD2 3.86Å; A466-L470 HydrophobicContact CB-CG 4.34Å; E468-L470 PolarHBondContact O-N 3.37Å; L470-Y473 HydrophobicContact CD1-CD2 4.4Å; L470-K480 PolarHBondContact O-NZ 3.02Å
471	I	95	Very high	95.5	Very high	118 Å²	118	65.3 Å²	65.3	61%	0.605	33%	0.329	S	S	*	.	S	Bend	trans	-69.2	-42.1	178.8	-60.8	177.9	0	0	0	110.3	E408 P409 K480	E408-I471 PolarHBondContact OE1-N 3.18Å; E408-I471 PolarHBondContact OE2-N 3.23Å; P409-I471 HydrophobicContact CG-CD1 3.93Å; I471-K480 VanDerWaalsContact O-CD 3.28Å; I471-K480 WeakPolarHBondContact O-CD 3.11Å
472	G	94.6	Very high	94	Very high	27 Å²	27	69.1 Å²	69.1	28%	0.278	36%	0.358	S	S	.	.	S	Bend	trans	-88.1	-14.2	-175.6	0	0	0	0	0	115	E408 P479 K480	E408-G472 WeakPolarHBondContact OE1-CA 3.35Å; E408-G472 PolarHBondContact OE1-N 3.39Å; G472-P479 CarbonylContact O-C 3.44Å; G472-P479 VanDerWaalsContact O-CA 3.3Å; G472-P479 WeakPolarHBondContact O-CA 2.77Å; G472-K480 PolarHBondContact O-N 3.34Å
473	Y	96.2	Very high	92.2	Very high	29 Å²	29	78.5 Å²	78.5	11%	0.114	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-137.4	141.6	-172	-61.5	-92.9	0	0	0	112.5	V405 I459 L470 N478 P479 K480	V405-Y473 HydrophobicContact CG1-CD2 4.37Å; V405-Y473 HydrophobicContact CG1-CE2 3.95Å; I459-Y473 HydrophobicContact CG2-CD1 3.59Å; I459-Y473 HydrophobicContact CG2-CD2 4.38Å; I459-Y473 HydrophobicContact CG2-CE1 3.57Å; I459-Y473 HydrophobicContact CG2-CE2 4.38Å; I459-Y473 HydrophobicContact CG2-CG 4.02Å; L470-Y473 HydrophobicContact CD1-CD2 4.4Å; Y473-N478 CarbonylContact C-O 3.43Å; Y473-N478 VanDerWaalsContact CA-O 3.26Å; Y473-N478 WeakPolarHBondContact CA-O 3.3Å; Y473-P479 HydrophobicContact CD1-CG 4.32Å; Y473-P479 HydrophobicContact CE1-CB 4.43Å; Y473-P479 HydrophobicContact CE1-CG 3.92Å; Y473-K480 WeakPolarHBondContact O-CE 3.05Å; Y473-K480 PolarHBondContact O-NZ 2.66Å
474	D	96	Very high	89.6	Confident	50 Å²	50	89.8 Å²	89.8	27%	0.267	46%	0.461	S	S	.	.			trans	-74.5	168.2	169.2	72.1	18.2	0	0	0	111.4	A463 S476 G477 N478	A463-D474 VanDerWaalsContact CB-O 3.23Å; A463-D474 WeakPolarHBondContact CB-O 3.17Å; D474-S476 PolarHBondContact O-N 2.87Å; D474-S476 VanDerWaalsContact OD1-CA 3.27Å; D474-S476 WeakPolarHBondContact OD1-CA 3.36Å; D474-S476 VanDerWaalsContact OD1-CB 3.28Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.5Å; D474-G477 PolarHBondContact O-N 2.75Å; D474-G477 PolarHBondContact OD1-N 2.71Å; D474-N478 PolarHBondContact N-O 3.38Å; D474-N478 PolarHBondContact OD1-N 2.81Å; D474-N478 PolarHBondContact OD1-ND2 2.67Å; D474-N478 WeakPolarHBondContact OD2-CB 3.44Å; D474-N478 PolarHBondContact OD2-ND2 3.1Å
475	R	96.9	Very high	89.2	Confident	90 Å²	90	87.3 Å²	87.3	34%	0.34	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.4	178	-67.8	-59	-166.9	170	2.7	115	A463 R464 A466 E469	A463-R475 WeakPolarHBondContact O-CD 3.49Å; A463-R475 PolarHBondContact O-NH1 3.28Å; R464-R475 PolarHBondContact O-NH1 3.32Å; A466-R475 VanDerWaalsContact O-CZ 3.31Å; A466-R475 PolarHBondContact O-NH1 3.33Å; A466-R475 PolarHBondContact O-NH2 2.62Å; E469-R475 HydrophobicContact CG-CG 4.16Å
476	S	95.6	Very high	88.8	Confident	81 Å²	81	87.7 Å²	87.7	57%	0.566	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.6	173.5	-57.5	0	0	0	0	112.8	D474	D474-S476 PolarHBondContact O-N 2.87Å; D474-S476 VanDerWaalsContact OD1-CA 3.27Å; D474-S476 WeakPolarHBondContact OD1-CA 3.36Å; D474-S476 VanDerWaalsContact OD1-CB 3.28Å; D474-S476 WeakPolarHBondContact OD1-CB 3.41Å; D474-S476 PolarHBondContact OD1-N 3.5Å
477	G	94.6	Very high	88.3	Confident	10 Å²	10	92.4 Å²	92.4	10%	0.103	49%	0.487	C	S	.	.	S	Bend	trans	82.1	15.1	-178.1	0	0	0	0	0	114.5	D474	D474-G477 PolarHBondContact O-N 2.75Å; D474-G477 PolarHBondContact OD1-N 2.71Å
478	N	95.3	Very high	87.8	Confident	82 Å²	82	93.9 Å²	93.9	44%	0.439	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-87.3	141.8	174.7	-52.3	-60.8	0	0	0	110.4	Y473 D474 K480	Y473-N478 CarbonylContact C-O 3.43Å; Y473-N478 VanDerWaalsContact CA-O 3.26Å; Y473-N478 WeakPolarHBondContact CA-O 3.3Å; D474-N478 PolarHBondContact N-O 3.38Å; D474-N478 PolarHBondContact OD1-N 2.81Å; D474-N478 PolarHBondContact OD1-ND2 2.67Å; D474-N478 WeakPolarHBondContact OD2-CB 3.44Å; D474-N478 PolarHBondContact OD2-ND2 3.1Å; N478-K480 PolarHBondContact O-N 2.8Å
479	P	94.3	Very high	87.3	Confident	96 Å²	96	94.3 Å²	94.3	62%	0.623	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-57.6	130.2	173.7	-23.4	32.8	0	0	0	112	G472 Y473	G472-P479 CarbonylContact O-C 3.44Å; G472-P479 VanDerWaalsContact O-CA 3.3Å; G472-P479 WeakPolarHBondContact O-CA 2.77Å; Y473-P479 HydrophobicContact CD1-CG 4.32Å; Y473-P479 HydrophobicContact CE1-CB 4.43Å; Y473-P479 HydrophobicContact CE1-CG 3.92Å
480	K	91.9	Very high	86.7	Confident	82 Å²	82	94.1 Å²	94.1	36%	0.357	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-69.9	137.1	170.2	-73	173	172.6	170.2	0	108.7	E469 L470 I471 G472 Y473 N478 S482	E469-K480 WeakPolarHBondContact OE1-CE 3.36Å; E469-K480 IonicContact OE1-NZ 3.81Å; E469-K480 PolarHBondContact OE1-NZ 3.45Å; E469-K480 IonicContact OE2-NZ 3.67Å; L470-K480 PolarHBondContact O-NZ 3.02Å; I471-K480 VanDerWaalsContact O-CD 3.28Å; I471-K480 WeakPolarHBondContact O-CD 3.11Å; G472-K480 PolarHBondContact O-N 3.34Å; Y473-K480 WeakPolarHBondContact O-CE 3.05Å; Y473-K480 PolarHBondContact O-NZ 2.66Å; N478-K480 PolarHBondContact O-N 2.8Å; K480-S482 PolarHBondContact O-N 3.44Å
481	K	82.5	Confident	86	Confident	204 Å²	204	100.2 Å²	100.2	89%	0.887	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-63.7	125.1	172.1	-68.7	-178	179.2	178.9	0	107.5	E483	K481-E483 PolarHBondContact O-N 3.31Å
482	S	66.9	Low	85.3	Confident	99 Å²	99	98.8 Å²	98.8	69%	0.692	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-57.2	122.6	166.8	54.6	0	0	0	0	107.5	K480 L484	K480-S482 PolarHBondContact O-N 3.44Å; S482-L484 PolarHBondContact O-N 3.11Å; S482-L484 VanDerWaalsContact O-N 3.1Å
483	E	60.3	Low	84.6	Confident	197 Å²	197	104.8 Å²	104.8	92%	0.921	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.2	118.7	162.5	-67.9	-171.4	162	0	0	106.4	K481	K481-E483 PolarHBondContact O-N 3.31Å
484	L	44.4	Very low	83.5	Confident	238 Å²	238	111.7 Å²	111.7	100%	1.246	59%	0.586	S	S	*	*			trans	-64.7	0	-174.8	-88.8	162.1	0	0	0	112.1	S482	S482-L484 PolarHBondContact O-N 3.11Å; S482-L484 VanDerWaalsContact O-N 3.1Å

Retrieved 484 of 484 residues in 138.3 ms (Link to these results)

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