A0A3Q0KFL6_SCHMA Loading...

LIMPETin; Putative four and A half lim domains

AlphaFold DB (G4VSB7), UniProt , Accession A0A3Q0KFL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 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	39.7	Very low	54.8	Low	227 Å²	227	132.8 Å²	132.8	100%	1.118	68%	0.68	S	S	*	*				0	83.5	0	-61	-178.7	-142.8	0	0	104.6
2	E	34.8	Very low	58	Low	163 Å²	163	121.8 Å²	121.8	76%	0.762	62%	0.624	S	S	*	*				78.7	121.9	97.7	-78.9	176.5	128.7	0	0	110
3	Q	34.4	Very low	60.7	Low	152 Å²	152	119.8 Å²	119.8	71%	0.71	61%	0.61	S	S	*	*			cis	-145.4	165	-7.4	-76.4	159.6	19.6	0	0	102.9
4	E	40.4	Very low	62.9	Low	138 Å²	138	114 Å²	114	65%	0.645	59%	0.586	S	S	*	*				161.3	109.4	95.8	-77.4	-172.2	154.4	0	0	107.2	H6	E4-H6 VanDerWaalsContact CD-NE2 3.32Å; E4-H6 IonicContact OE1-CE1 3.54Å; E4-H6 IonicContact OE1-NE2 3.56Å; E4-H6 IonicContact OE2-CD2 3.56Å; E4-H6 IonicContact OE2-CE1 3.72Å; E4-H6 IonicContact OE2-NE2 2.82Å; E4-H6 PolarHBondContact OE2-NE2 3.15Å
5	H	38.9	Very low	65	Low	201 Å²	201	110.6 Å²	110.6	93%	0.931	58%	0.575	S	S	*	*			trans	-97.5	98.1	157.1	-81.2	100.5	0	0	0	106.2	T7	H5-T7 PolarHBondContact O-N 2.74Å; H5-T7 VanDerWaalsContact O-N 3.15Å
6	H	47	Very low	66.7	Low	143 Å²	143	110.9 Å²	110.9	66%	0.662	58%	0.577	S	S	*	*			trans	-65	112.4	173.3	-74.2	-70.5	0	0	0	109.3	E4 G8	E4-H6 VanDerWaalsContact CD-NE2 3.32Å; E4-H6 IonicContact OE1-CE1 3.54Å; E4-H6 IonicContact OE1-NE2 3.56Å; E4-H6 IonicContact OE2-CD2 3.56Å; E4-H6 IonicContact OE2-CE1 3.72Å; E4-H6 IonicContact OE2-NE2 2.82Å; E4-H6 PolarHBondContact OE2-NE2 3.15Å; H6-G8 PolarHBondContact O-N 3.33Å
7	T	51.5	Low	68.2	Low	137 Å²	137	108.7 Å²	108.7	84%	0.84	57%	0.57	S	S	*	*			trans	-40.8	127.5	162.2	12.4	0	0	0	0	110.6	H5 H9	H5-T7 PolarHBondContact O-N 2.74Å; H5-T7 VanDerWaalsContact O-N 3.15Å; T7-H9 PolarHBondContact O-N 3.12Å
8	G	58	Low	69.6	Low	73 Å²	73	106.2 Å²	106.2	75%	0.753	56%	0.563	S	S	*	*			trans	-43	122.3	-166.8	0	0	0	0	0	114.9	H6 F10	H6-G8 PolarHBondContact O-N 3.33Å; G8-F10 PolarHBondContact O-N 2.9Å
9	H	75.3	Confident	70.8	Confident	143 Å²	143	100.7 Å²	100.7	66%	0.662	53%	0.534	S	S	*	.			trans	-65.2	91.2	176.5	-174.8	-103.9	0	0	0	110.1	T7 A11	T7-H9 PolarHBondContact O-N 3.12Å; H9-A11 WeakPolarHBondContact CE1-CB 3.32Å; H9-A11 WeakPolarHBondContact ND1-CB 3.24Å; H9-A11 PolarHBondContact O-N 3.33Å; H9-A11 VanDerWaalsContact O-N 3.15Å
10	F	89.7	Confident	71.8	Confident	76 Å²	76	100.9 Å²	100.9	33%	0.333	54%	0.539	S	S	.	.			trans	-80.8	91	175.2	-172.9	-114.5	0	0	0	109.9	G8 L19 Y24 P31	G8-F10 PolarHBondContact O-N 2.9Å; F10-L19 HydrophobicContact CD1-CB 3.62Å; F10-L19 HydrophobicContact CE1-CB 3.45Å; F10-L19 VanDerWaalsContact CE1-CB 3.45Å; F10-L19 HydrophobicContact CE1-CD1 4.29Å; F10-L19 HydrophobicContact CG-CB 4.49Å; F10-L19 HydrophobicContact CZ-CB 4.19Å; F10-L19 HydrophobicContact CZ-CD1 4.22Å; F10-L19 PolarHBondContact O-N 3.4Å; F10-Y24 AromaticContact CE1-CD1 3.82Å; F10-Y24 HydrophobicContact CE1-CD1 3.82Å; F10-Y24 AromaticContact CE1-CE1 3.64Å; F10-Y24 HydrophobicContact CE1-CE1 3.64Å; F10-Y24 HydrophobicContact CE1-CG 4.37Å; F10-Y24 HydrophobicContact CE2-CE2 4.46Å; F10-Y24 AromaticContact CZ-CD1 3.83Å; F10-Y24 HydrophobicContact CZ-CD1 3.83Å; F10-Y24 AromaticContact CZ-CD2 3.92Å; F10-Y24 HydrophobicContact CZ-CD2 3.92Å; F10-Y24 AromaticContact CZ-CE1 3.55Å; F10-Y24 HydrophobicContact CZ-CE1 3.55Å; F10-Y24 AromaticContact CZ-CE2 3.63Å; F10-Y24 HydrophobicContact CZ-CE2 3.63Å; F10-Y24 HydrophobicContact CZ-CG 4.02Å; F10-Y24 AromaticContact CZ-CZ 3.45Å; F10-Y24 VanDerWaalsContact CZ-CZ 3.45Å; F10-P31 HydrophobicContact CE2-CB 3.91Å; F10-P31 HydrophobicContact CE2-CG 4.14Å; F10-P31 HydrophobicContact CZ-CB 4.19Å
11	A	92.5	Very high	72.6	Confident	8 Å²	8	100 Å²	100	7%	0.066	55%	0.553	C	S	.	*	B	Isolated β-bridge	trans	-134.4	163.2	-174.3	0	0	0	0	0	112.8	H9 H13 V17 L19 P31	H9-A11 WeakPolarHBondContact CE1-CB 3.32Å; H9-A11 WeakPolarHBondContact ND1-CB 3.24Å; H9-A11 PolarHBondContact O-N 3.33Å; H9-A11 VanDerWaalsContact O-N 3.15Å; A11-H13 PolarHBondContact O-N 3.36Å; A11-V17 CarbonylContact C-O 3.58Å; A11-V17 WeakPolarHBondContact CA-O 3.33Å; A11-V17 WeakPolarHBondContact CB-O 3.21Å; A11-L19 VanDerWaalsContact C-CD1 3.49Å; A11-P31 WeakPolarHBondContact O-CG 3.5Å
12	C	93.5	Very high	74.9	Confident	0 Å²	0	95.4 Å²	95.4	0%	0	53%	0.529	C	S	.	.			trans	-64.4	122.3	177.4	177.3	0	0	0	0	110.5	S14 C15 D16 V17 L19 P31 C33 C36	C12-S14 PolarHBondContact O-N 3.41Å; C12-S14 PolarHBondContact SG-N 3.29Å; C12-S14 VanDerWaalsContact SG-N 3.41Å; C12-C15 PolarHBondContact O-N 2.91Å; C12-D16 VanDerWaalsContact O-CA 3.31Å; C12-D16 WeakPolarHBondContact O-CA 3.37Å; C12-D16 PolarHBondContact O-N 3.01Å; C12-V17 HydrophobicContact CB-CG1 3.81Å; C12-V17 PolarHBondContact N-O 2.72Å; C12-L19 HydrophobicContact CB-CD1 4.38Å; C12-L19 HydrophobicContact CB-CD2 4.16Å; C12-L19 HydrophobicContact CB-CG 4.33Å; C12-P31 CarbonylContact C-O 3.53Å; C12-P31 WeakPolarHBondContact CA-O 3.26Å; C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 2.94Å; C12-C33 VanDerWaalsContact SG-SG 3.67Å; C12-C36 VanDerWaalsContact SG-SG 3.69Å
13	H	93	Very high	77.5	Confident	97 Å²	97	94.5 Å²	94.5	45%	0.449	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.7	177	-178	87.3	0	0	0	113.6	A11 E30 P31	A11-H13 PolarHBondContact O-N 3.36Å; H13-E30 HydrophobicContact CB-CB 4.11Å; H13-E30 IonicContact CD2-OE2 2.88Å; H13-E30 PolarHBondContact CD2-OE2 3.41Å; H13-E30 VanDerWaalsContact CD2-OE2 3.31Å; H13-E30 IonicContact CE1-OE1 3.48Å; H13-E30 PolarHBondContact CE1-OE1 2.95Å; H13-E30 IonicContact CE1-OE2 3.58Å; H13-E30 IonicContact CG-OE2 2.74Å; H13-E30 IonicContact ND1-OE1 2.68Å; H13-E30 IonicContact ND1-OE2 2.72Å; H13-E30 IonicContact NE2-OE1 2.65Å; H13-E30 IonicContact NE2-OE2 3.83Å; H13-E30 PolarHBondContact NE2-OE2 3.29Å; H13-P31 WeakPolarHBondContact CB-O 3.43Å; H13-P31 PolarHBondContact N-O 2.83Å
14	S	92.1	Very high	80.2	Confident	38 Å²	38	92.1 Å²	92.1	27%	0.266	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-20.4	-174.8	-58.9	0	0	0	0	115.9	C12 H32 K40	C12-S14 PolarHBondContact O-N 3.41Å; C12-S14 PolarHBondContact SG-N 3.29Å; C12-S14 VanDerWaalsContact SG-N 3.41Å; S14-H32 PolarHBondContact OG-CE1 3.13Å; S14-H32 VanDerWaalsContact OG-CE1 3.28Å; S14-H32 PolarHBondContact OG-ND1 3.22Å; S14-K40 WeakPolarHBondContact OG-CE 2.97Å; S14-K40 PolarHBondContact OG-NZ 3.49Å
15	C	94.3	Very high	82.6	Confident	63 Å²	63	87.6 Å²	87.6	43%	0.426	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	5.1	-177.3	69.1	0	0	0	0	114	C12 V17	C12-C15 PolarHBondContact O-N 2.91Å; C15-V17 PolarHBondContact O-N 3.2Å; C15-V17 WeakPolarHBondContact SG-CG1 3.31Å
16	D	92	Very high	85.1	Confident	115 Å²	115	82.8 Å²	82.8	62%	0.615	46%	0.464	S	S	*	.			trans	56.1	12.9	179.7	-61.2	-41.9	0	0	0	115.8	C12 S18	C12-D16 VanDerWaalsContact O-CA 3.31Å; C12-D16 WeakPolarHBondContact O-CA 3.37Å; C12-D16 PolarHBondContact O-N 3.01Å; D16-S18 PolarHBondContact O-N 3.15Å
17	V	92.3	Very high	87.1	Confident	74 Å²	74	80.5 Å²	80.5	45%	0.448	45%	0.45	S	S	.	.			trans	-65.8	135.7	173.6	76.3	0	0	0	0	110.3	A11 C12 C15 L19 C33	A11-V17 CarbonylContact C-O 3.58Å; A11-V17 WeakPolarHBondContact CA-O 3.33Å; A11-V17 WeakPolarHBondContact CB-O 3.21Å; C12-V17 HydrophobicContact CB-CG1 3.81Å; C12-V17 PolarHBondContact N-O 2.72Å; C15-V17 PolarHBondContact O-N 3.2Å; C15-V17 WeakPolarHBondContact SG-CG1 3.31Å; V17-L19 HydrophobicContact CG1-CD2 4.39Å; V17-L19 PolarHBondContact O-N 2.93Å; V17-C33 HydrophobicContact CG1-CB 3.95Å
18	S	93.2	Very high	89	Confident	63 Å²	63	80.6 Å²	80.6	44%	0.441	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-57.6	127.6	174.5	-179.6	0	0	0	0	110.7	D16 T20	D16-S18 PolarHBondContact O-N 3.15Å; S18-T20 PolarHBondContact OG-N 3.2Å; S18-T20 PolarHBondContact OG-OG1 3.32Å
19	L	92.1	Very high	90.5	Very high	2 Å²	2	84.5 Å²	84.5	1%	0.01	45%	0.449	C	S	.	.			trans	-95.4	2.2	176.9	-65.2	177	0	0	0	112.3	F10 A11 C12 V17 G21 Q22 Y24 P31 C33	F10-L19 HydrophobicContact CD1-CB 3.62Å; F10-L19 HydrophobicContact CE1-CB 3.45Å; F10-L19 VanDerWaalsContact CE1-CB 3.45Å; F10-L19 HydrophobicContact CE1-CD1 4.29Å; F10-L19 HydrophobicContact CG-CB 4.49Å; F10-L19 HydrophobicContact CZ-CB 4.19Å; F10-L19 HydrophobicContact CZ-CD1 4.22Å; F10-L19 PolarHBondContact O-N 3.4Å; A11-L19 VanDerWaalsContact C-CD1 3.49Å; C12-L19 HydrophobicContact CB-CD1 4.38Å; C12-L19 HydrophobicContact CB-CD2 4.16Å; C12-L19 HydrophobicContact CB-CG 4.33Å; V17-L19 HydrophobicContact CG1-CD2 4.39Å; V17-L19 PolarHBondContact O-N 2.93Å; L19-G21 PolarHBondContact O-N 2.68Å; L19-G21 VanDerWaalsContact O-N 3.12Å; L19-Q22 PolarHBondContact O-N 3.28Å; L19-Y24 HydrophobicContact CD1-CG 4.25Å; L19-P31 HydrophobicContact CD1-CB 3.64Å; L19-P31 HydrophobicContact CD1-CG 4.34Å; L19-C33 HydrophobicContact CD2-CB 3.63Å
20	T	90.5	Very high	91.3	Very high	104 Å²	104	81.4 Å²	81.4	64%	0.638	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	116	178.5	-55.8	0	0	0	0	109.7	S18 Q22	S18-T20 PolarHBondContact OG-N 3.2Å; S18-T20 PolarHBondContact OG-OG1 3.32Å; T20-Q22 PolarHBondContact O-N 2.88Å
21	G	88.6	Confident	91.5	Very high	82 Å²	82	79 Å²	79	85%	0.845	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	3.9	-177.2	0	0	0	0	0	115.3	L19	L19-G21 PolarHBondContact O-N 2.68Å; L19-G21 VanDerWaalsContact O-N 3.12Å
22	Q	88.1	Confident	91.5	Very high	131 Å²	131	78.8 Å²	78.8	61%	0.612	43%	0.425	S	S	*	.	S	Bend	trans	-103.4	153.8	176.7	-63.7	-65.1	-35.2	0	0	110.4	L19 T20	L19-Q22 PolarHBondContact O-N 3.28Å; T20-Q22 PolarHBondContact O-N 2.88Å
23	R	90.6	Very high	91.5	Very high	145 Å²	145	79.6 Å²	79.6	55%	0.547	43%	0.43	S	S	.	.			trans	-71.8	138.2	170.1	-68.5	175.7	66.9	-154.2	-0.6	109.5	L34 D55	R23-L34 HydrophobicContact CB-CD1 3.77Å; R23-L34 HydrophobicContact CB-CD2 4.2Å; R23-L34 HydrophobicContact CB-CG 4.08Å; R23-D55 IonicContact CZ-OD1 2.87Å; R23-D55 IonicContact NH1-OD1 3.74Å; R23-D55 PolarHBondContact NH1-OD1 3.22Å; R23-D55 IonicContact NH1-OD2 2.74Å; R23-D55 PolarHBondContact NH1-OD2 3.5Å; R23-D55 IonicContact NH2-OD1 3.46Å; R23-D55 PolarHBondContact NH2-OD1 3.36Å
24	Y	91.5	Very high	91.5	Very high	102 Å²	102	76.7 Å²	76.7	40%	0.4	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.5	178.4	66.3	-86	0	0	0	110	F10 L19 L26 P31 H32	F10-Y24 AromaticContact CE1-CD1 3.82Å; F10-Y24 HydrophobicContact CE1-CD1 3.82Å; F10-Y24 AromaticContact CE1-CE1 3.64Å; F10-Y24 HydrophobicContact CE1-CE1 3.64Å; F10-Y24 HydrophobicContact CE1-CG 4.37Å; F10-Y24 HydrophobicContact CE2-CE2 4.46Å; F10-Y24 AromaticContact CZ-CD1 3.83Å; F10-Y24 HydrophobicContact CZ-CD1 3.83Å; F10-Y24 AromaticContact CZ-CD2 3.92Å; F10-Y24 HydrophobicContact CZ-CD2 3.92Å; F10-Y24 AromaticContact CZ-CE1 3.55Å; F10-Y24 HydrophobicContact CZ-CE1 3.55Å; F10-Y24 AromaticContact CZ-CE2 3.63Å; F10-Y24 HydrophobicContact CZ-CE2 3.63Å; F10-Y24 HydrophobicContact CZ-CG 4.02Å; F10-Y24 AromaticContact CZ-CZ 3.45Å; F10-Y24 VanDerWaalsContact CZ-CZ 3.45Å; L19-Y24 HydrophobicContact CD1-CG 4.25Å; Y24-L26 HydrophobicContact CD2-CD2 4.24Å; Y24-L26 HydrophobicContact CD2-CG 4.21Å; Y24-L26 HydrophobicContact CE2-CD1 4.26Å; Y24-L26 HydrophobicContact CE2-CD2 3.95Å; Y24-L26 HydrophobicContact CE2-CG 3.8Å; Y24-P31 HydrophobicContact CD2-CB 4.26Å; Y24-H32 CarbonylContact C-O 3.48Å; Y24-H32 VanDerWaalsContact CA-O 3.26Å; Y24-H32 WeakPolarHBondContact CA-O 3.07Å; Y24-H32 VanDerWaalsContact CB-O 3.32Å; Y24-H32 WeakPolarHBondContact CB-O 3.48Å
25	I	90.3	Very high	91.5	Very high	42 Å²	42	78.2 Å²	78.2	22%	0.215	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	174.1	-58.9	179.3	0	0	0	107.8	H32 L34 Y37 C54	I25-H32 PolarHBondContact N-O 3.39Å; I25-H32 PolarHBondContact O-N 2.96Å; I25-L34 HydrophobicContact CD1-CD2 4.01Å; I25-L34 HydrophobicContact CG1-CD2 3.79Å; I25-Y37 HydrophobicContact CB-CD2 3.76Å; I25-Y37 HydrophobicContact CB-CE2 4.13Å; I25-Y37 HydrophobicContact CB-CG 4.09Å; I25-Y37 HydrophobicContact CD1-CD1 3.57Å; I25-Y37 HydrophobicContact CD1-CD2 4.13Å; I25-Y37 HydrophobicContact CD1-CE1 3.81Å; I25-Y37 HydrophobicContact CD1-CE2 4.34Å; I25-Y37 HydrophobicContact CD1-CG 3.74Å; I25-Y37 HydrophobicContact CG1-CG 4.41Å; I25-Y37 HydrophobicContact CG2-CD2 3.62Å; I25-Y37 HydrophobicContact CG2-CE2 3.45Å; I25-Y37 VanDerWaalsContact CG2-CE2 3.45Å; I25-Y37 HydrophobicContact CG2-CG 4.31Å; I25-C54 HydrophobicContact CD1-CB 3.52Å
26	L	91.7	Very high	91.4	Very high	100 Å²	100	76.3 Å²	76.3	52%	0.524	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.3	171.3	-68.7	172.3	0	0	0	108.9	Y24 E30 P31	Y24-L26 HydrophobicContact CD2-CD2 4.24Å; Y24-L26 HydrophobicContact CD2-CG 4.21Å; Y24-L26 HydrophobicContact CE2-CD1 4.26Å; Y24-L26 HydrophobicContact CE2-CD2 3.95Å; Y24-L26 HydrophobicContact CE2-CG 3.8Å; L26-E30 WeakPolarHBondContact CA-O 3.5Å; L26-P31 HydrophobicContact CD2-CB 3.82Å
27	R	89	Confident	91.4	Very high	96 Å²	96	73.5 Å²	73.5	36%	0.362	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.1	170.4	-175.6	169.8	-177.6	147.5	0.1	107.7	D29 E30 Y37 F41	R27-D29 PolarHBondContact O-N 3.06Å; R27-E30 PolarHBondContact N-O 2.97Å; R27-E30 PolarHBondContact O-N 3.3Å; R27-Y37 HydrophobicContact CB-CE2 4.45Å; R27-F41 VanDerWaalsContact CZ-CD1 3.43Å
28	D	90.7	Very high	91.4	Very high	139 Å²	139	72.6 Å²	72.6	74%	0.743	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.4	-177.6	-52.8	-44.6	0	0	0	112.6	E30	D28-E30 PolarHBondContact O-N 2.89Å; D28-E30 VanDerWaalsContact O-N 3.14Å
29	D	89.3	Confident	91.2	Very high	155 Å²	155	73.3 Å²	73.3	83%	0.829	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	5.2	-175.5	-60.6	-41.5	0	0	0	116.3	R27	R27-D29 PolarHBondContact O-N 3.06Å
30	E	92.4	Very high	91.2	Very high	78 Å²	78	79 Å²	79	36%	0.364	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.3	176.5	-64.6	-178.3	159.7	0	0	111.6	H13 L26 R27 D28 H32	H13-E30 HydrophobicContact CB-CB 4.11Å; H13-E30 IonicContact CD2-OE2 2.88Å; H13-E30 PolarHBondContact CD2-OE2 3.41Å; H13-E30 VanDerWaalsContact CD2-OE2 3.31Å; H13-E30 IonicContact CE1-OE1 3.48Å; H13-E30 PolarHBondContact CE1-OE1 2.95Å; H13-E30 IonicContact CE1-OE2 3.58Å; H13-E30 IonicContact CG-OE2 2.74Å; H13-E30 IonicContact ND1-OE1 2.68Å; H13-E30 IonicContact ND1-OE2 2.72Å; H13-E30 IonicContact NE2-OE1 2.65Å; H13-E30 IonicContact NE2-OE2 3.83Å; H13-E30 PolarHBondContact NE2-OE2 3.29Å; L26-E30 WeakPolarHBondContact CA-O 3.5Å; R27-E30 PolarHBondContact N-O 2.97Å; R27-E30 PolarHBondContact O-N 3.3Å; D28-E30 PolarHBondContact O-N 2.89Å; D28-E30 VanDerWaalsContact O-N 3.14Å; E30-H32 PolarHBondContact O-CD2 2.78Å; E30-H32 VanDerWaalsContact O-CD2 3.3Å
31	P	93.8	Very high	91.2	Very high	25 Å²	25	77 Å²	77	16%	0.162	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126	178	30.9	-34.5	0	0	0	111.5	F10 A11 C12 H13 L19 Y24 L26	F10-P31 HydrophobicContact CE2-CB 3.91Å; F10-P31 HydrophobicContact CE2-CG 4.14Å; F10-P31 HydrophobicContact CZ-CB 4.19Å; A11-P31 WeakPolarHBondContact O-CG 3.5Å; C12-P31 CarbonylContact C-O 3.53Å; C12-P31 WeakPolarHBondContact CA-O 3.26Å; H13-P31 WeakPolarHBondContact CB-O 3.43Å; H13-P31 PolarHBondContact N-O 2.83Å; L19-P31 HydrophobicContact CD1-CB 3.64Å; L19-P31 HydrophobicContact CD1-CG 4.34Å; Y24-P31 HydrophobicContact CD2-CB 4.26Å; L26-P31 HydrophobicContact CD2-CB 3.82Å
32	H	93.3	Very high	91.4	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.019	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137	173.8	-62.6	-87.6	0	0	0	111.2	S14 Y24 I25 E30 F41	S14-H32 PolarHBondContact OG-CE1 3.13Å; S14-H32 VanDerWaalsContact OG-CE1 3.28Å; S14-H32 PolarHBondContact OG-ND1 3.22Å; Y24-H32 CarbonylContact C-O 3.48Å; Y24-H32 VanDerWaalsContact CA-O 3.26Å; Y24-H32 WeakPolarHBondContact CA-O 3.07Å; Y24-H32 VanDerWaalsContact CB-O 3.32Å; Y24-H32 WeakPolarHBondContact CB-O 3.48Å; I25-H32 PolarHBondContact N-O 3.39Å; I25-H32 PolarHBondContact O-N 2.96Å; E30-H32 PolarHBondContact O-CD2 2.78Å; E30-H32 VanDerWaalsContact O-CD2 3.3Å; H32-F41 AromaticContact NE2-CE2 3.9Å
33	C	93.3	Very high	91.7	Very high	17 Å²	17	70.2 Å²	70.2	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	154.3	164.4	74.8	0	0	0	0	109.6	C12 V17 L19 A35 C36 Y37	C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 2.94Å; C12-C33 VanDerWaalsContact SG-SG 3.67Å; V17-C33 HydrophobicContact CG1-CB 3.95Å; L19-C33 HydrophobicContact CD2-CB 3.63Å; C33-A35 VanDerWaalsContact C-N 3.26Å; C33-A35 PolarHBondContact O-N 3.11Å; C33-C36 PolarHBondContact O-N 2.84Å; C33-C36 VanDerWaalsContact O-N 3.11Å; C33-C36 PolarHBondContact SG-N 3.29Å; C33-C36 VanDerWaalsContact SG-N 3.39Å; C33-C36 PolarHBondContact SG-SG 2.91Å; C33-Y37 PolarHBondContact O-N 2.98Å
34	L	91.9	Very high	92	Very high	35 Å²	35	66.4 Å²	66.4	18%	0.183	35%	0.351	C	S	.	.	H	α-helix	trans	-55.1	-42	-176.7	-56.5	-173.4	0	0	0	112.3	R23 I25 C36 Y37 E38	R23-L34 HydrophobicContact CB-CD1 3.77Å; R23-L34 HydrophobicContact CB-CD2 4.2Å; R23-L34 HydrophobicContact CB-CG 4.08Å; I25-L34 HydrophobicContact CD1-CD2 4.01Å; I25-L34 HydrophobicContact CG1-CD2 3.79Å; L34-C36 PolarHBondContact O-N 3.46Å; L34-Y37 PolarHBondContact O-N 2.93Å; L34-E38 WeakPolarHBondContact O-CB 3.39Å; L34-E38 VanDerWaalsContact O-CG 3.28Å; L34-E38 WeakPolarHBondContact O-CG 3.28Å; L34-E38 PolarHBondContact O-N 2.94Å
35	A	91.9	Very high	92.2	Very high	71 Å²	71	61.5 Å²	61.5	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-43.7	178.8	0	0	0	0	0	112.8	C33 A39	C33-A35 VanDerWaalsContact C-N 3.26Å; C33-A35 PolarHBondContact O-N 3.11Å; A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.07Å; A35-A39 PolarHBondContact O-N 2.98Å
36	C	93	Very high	92.5	Very high	22 Å²	22	62 Å²	62	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-70.2	-38	177	-74.2	0	0	0	0	112	C12 C33 L34 K40	C12-C36 VanDerWaalsContact SG-SG 3.69Å; C33-C36 PolarHBondContact O-N 2.84Å; C33-C36 VanDerWaalsContact O-N 3.11Å; C33-C36 PolarHBondContact SG-N 3.29Å; C33-C36 VanDerWaalsContact SG-N 3.39Å; C33-C36 PolarHBondContact SG-SG 2.91Å; L34-C36 PolarHBondContact O-N 3.46Å; C36-K40 WeakPolarHBondContact O-CB 3.27Å; C36-K40 WeakPolarHBondContact O-CG 3.28Å; C36-K40 PolarHBondContact O-N 3.34Å; C36-K40 VanDerWaalsContact O-N 3.13Å
37	Y	91.7	Very high	92.6	Very high	56 Å²	56	62.7 Å²	62.7	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-50.3	175.2	-177.8	-86.4	0	0	0	110.6	I25 R27 C33 L34 A39 K40 F41	I25-Y37 HydrophobicContact CB-CD2 3.76Å; I25-Y37 HydrophobicContact CB-CE2 4.13Å; I25-Y37 HydrophobicContact CB-CG 4.09Å; I25-Y37 HydrophobicContact CD1-CD1 3.57Å; I25-Y37 HydrophobicContact CD1-CD2 4.13Å; I25-Y37 HydrophobicContact CD1-CE1 3.81Å; I25-Y37 HydrophobicContact CD1-CE2 4.34Å; I25-Y37 HydrophobicContact CD1-CG 3.74Å; I25-Y37 HydrophobicContact CG1-CG 4.41Å; I25-Y37 HydrophobicContact CG2-CD2 3.62Å; I25-Y37 HydrophobicContact CG2-CE2 3.45Å; I25-Y37 VanDerWaalsContact CG2-CE2 3.45Å; I25-Y37 HydrophobicContact CG2-CG 4.31Å; R27-Y37 HydrophobicContact CB-CE2 4.45Å; C33-Y37 PolarHBondContact O-N 2.98Å; L34-Y37 PolarHBondContact O-N 2.93Å; Y37-A39 PolarHBondContact O-N 3.18Å; Y37-K40 PolarHBondContact O-N 3.24Å; Y37-F41 HydrophobicContact CD1-CB 4.46Å; Y37-F41 HydrophobicContact CD2-CB 4.44Å; Y37-F41 AromaticContact CD2-CD2 3.58Å; Y37-F41 HydrophobicContact CD2-CD2 3.58Å; Y37-F41 HydrophobicContact CD2-CE2 4.31Å; Y37-F41 HydrophobicContact CD2-CG 4.43Å; Y37-F41 HydrophobicContact CE1-CB 4.24Å; Y37-F41 HydrophobicContact CE2-CB 4.21Å; Y37-F41 AromaticContact CE2-CD2 3.9Å; Y37-F41 HydrophobicContact CE2-CD2 3.9Å; Y37-F41 HydrophobicContact CE2-CG 4.38Å; Y37-F41 HydrophobicContact CG-CD2 4.06Å; Y37-F41 WeakPolarHBondContact O-CA 3.5Å; Y37-F41 VanDerWaalsContact O-CB 3.27Å; Y37-F41 WeakPolarHBondContact O-CB 3.27Å; Y37-F41 WeakPolarHBondContact O-CD2 3.45Å; Y37-F41 PolarHBondContact O-N 3.31Å
38	E	91.9	Very high	92.9	Very high	56 Å²	56	60.6 Å²	60.6	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-43	-180	-71.6	179.8	178.8	0	0	112	L34 K40 A42 G53 C54	L34-E38 WeakPolarHBondContact O-CB 3.39Å; L34-E38 VanDerWaalsContact O-CG 3.28Å; L34-E38 WeakPolarHBondContact O-CG 3.28Å; L34-E38 PolarHBondContact O-N 2.94Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.34Å; E38-A42 HydrophobicContact CB-CB 4.27Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 3.05Å; E38-A42 VanDerWaalsContact O-N 3.13Å; E38-G53 VanDerWaalsContact CD-CA 3.46Å; E38-G53 WeakPolarHBondContact OE1-CA 3.31Å; E38-C54 PolarHBondContact OE1-N 3.41Å; E38-C54 PolarHBondContact OE1-SG 3.33Å
39	A	90.1	Very high	93.2	Very high	77 Å²	77	59.9 Å²	59.9	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-39.6	178.2	0	0	0	0	0	113.1	A35 Y37	A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.07Å; A35-A39 PolarHBondContact O-N 2.98Å; Y37-A39 PolarHBondContact O-N 3.18Å
40	K	90.6	Very high	93.4	Very high	121 Å²	121	58.7 Å²	58.7	53%	0.526	31%	0.313	S	S	.	.	H	α-helix	trans	-88.9	-32.9	-175.6	-71.5	-176	172	-175.2	0	113.7	S14 C36 Y37 E38	S14-K40 WeakPolarHBondContact OG-CE 2.97Å; S14-K40 PolarHBondContact OG-NZ 3.49Å; C36-K40 WeakPolarHBondContact O-CB 3.27Å; C36-K40 WeakPolarHBondContact O-CG 3.28Å; C36-K40 PolarHBondContact O-N 3.34Å; C36-K40 VanDerWaalsContact O-N 3.13Å; Y37-K40 PolarHBondContact O-N 3.24Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.34Å
41	F	91.3	Very high	93.5	Very high	62 Å²	62	59.6 Å²	59.6	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-129.7	-13.5	-160.7	-56.5	-56.8	0	0	0	114.9	R27 H32 Y37 N43	R27-F41 VanDerWaalsContact CZ-CD1 3.43Å; H32-F41 AromaticContact NE2-CE2 3.9Å; Y37-F41 HydrophobicContact CD1-CB 4.46Å; Y37-F41 HydrophobicContact CD2-CB 4.44Å; Y37-F41 AromaticContact CD2-CD2 3.58Å; Y37-F41 HydrophobicContact CD2-CD2 3.58Å; Y37-F41 HydrophobicContact CD2-CE2 4.31Å; Y37-F41 HydrophobicContact CD2-CG 4.43Å; Y37-F41 HydrophobicContact CE1-CB 4.24Å; Y37-F41 HydrophobicContact CE2-CB 4.21Å; Y37-F41 AromaticContact CE2-CD2 3.9Å; Y37-F41 HydrophobicContact CE2-CD2 3.9Å; Y37-F41 HydrophobicContact CE2-CG 4.38Å; Y37-F41 HydrophobicContact CG-CD2 4.06Å; Y37-F41 WeakPolarHBondContact O-CA 3.5Å; Y37-F41 VanDerWaalsContact O-CB 3.27Å; Y37-F41 WeakPolarHBondContact O-CB 3.27Å; Y37-F41 WeakPolarHBondContact O-CD2 3.45Å; Y37-F41 PolarHBondContact O-N 3.31Å; F41-N43 PolarHBondContact O-N 3.14Å
42	A	92.5	Very high	93.6	Very high	10 Å²	10	58.8 Å²	58.8	8%	0.083	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-68.5	134.8	178.8	0	0	0	0	0	111.2	E38 K51 I52	E38-A42 HydrophobicContact CB-CB 4.27Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 3.05Å; E38-A42 VanDerWaalsContact O-N 3.13Å; A42-K51 HydrophobicContact CB-CB 4.06Å; A42-K51 HydrophobicContact CB-CD 4.15Å; A42-K51 HydrophobicContact CB-CG 4.48Å; A42-K51 WeakPolarHBondContact O-CD 3.14Å; A42-K51 PolarHBondContact O-NZ 3.28Å; A42-I52 VanDerWaalsContact CB-O 3.29Å; A42-I52 WeakPolarHBondContact CB-O 3.3Å
43	N	95.8	Very high	93.5	Very high	61 Å²	61	59.3 Å²	59.3	33%	0.326	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.5	153.3	167.9	-67.6	-48.2	0	0	0	110.4	F41 I52 D58 H65	F41-N43 PolarHBondContact O-N 3.14Å; N43-I52 HydrophobicContact CB-CD1 4.37Å; N43-I52 PolarHBondContact O-N 3.16Å; N43-D58 PolarHBondContact ND2-OD2 2.9Å; N43-H65 HydrophobicContact CB-CB 3.76Å; N43-H65 VanDerWaalsContact CB-CG 3.49Å; N43-H65 VanDerWaalsContact CG-CE1 3.47Å; N43-H65 PolarHBondContact ND2-CE1 3.36Å; N43-H65 PolarHBondContact ND2-ND1 3.39Å
44	T	96.2	Very high	93.1	Very high	65 Å²	65	60.7 Å²	60.7	40%	0.399	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-96.9	127	178.2	-57.4	0	0	0	0	109	E46 K49 K51	T44-E46 PolarHBondContact O-N 3.13Å; T44-K49 VanDerWaalsContact CG2-O 3.3Å; T44-K49 WeakPolarHBondContact CG2-O 3.47Å; T44-K51 PolarHBondContact OG1-NZ 2.82Å; T44-K51 VanDerWaalsContact OG1-NZ 3.13Å
45	C	96.5	Very high	92.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-65.3	125.7	177.7	176.6	0	0	0	0	110.7	Q47 C48 K49 E50 I52 H65 H67 C70	C45-Q47 VanDerWaalsContact C-N 3.28Å; C45-Q47 PolarHBondContact O-N 3.2Å; C45-C48 VanDerWaalsContact SG-SG 3.61Å; C45-K49 WeakPolarHBondContact O-CA 3.49Å; C45-K49 PolarHBondContact O-N 2.74Å; C45-E50 VanDerWaalsContact CB-O 3.3Å; C45-E50 WeakPolarHBondContact CB-O 3.45Å; C45-E50 PolarHBondContact N-O 3.13Å; C45-I52 HydrophobicContact CB-CD1 4.24Å; C45-I52 HydrophobicContact CB-CG1 3.91Å; C45-H65 CarbonylContact C-O 3.53Å; C45-H65 WeakPolarHBondContact CA-O 3.26Å; C45-H67 WeakPolarHBondContact CB-CE1 3.18Å; C45-H67 VanDerWaalsContact CB-ND1 3.26Å; C45-H67 WeakPolarHBondContact CB-ND1 3.36Å; C45-H67 PolarHBondContact SG-N 3.12Å; C45-H67 PolarHBondContact SG-ND1 3.12Å; C45-C70 VanDerWaalsContact SG-CB 3.53Å
46	E	95.4	Very high	92.7	Very high	53 Å²	53	63.1 Å²	63.1	25%	0.248	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31.6	-177.4	-175.6	65.7	-128.2	0	0	112.4	T44 K49 R64 H65 W66	T44-E46 PolarHBondContact O-N 3.13Å; E46-K49 WeakPolarHBondContact O-CD 3.29Å; E46-K49 WeakPolarHBondContact O-CE 3.47Å; E46-K49 PolarHBondContact O-NZ 2.82Å; E46-K49 IonicContact OE1-NZ 3.55Å; E46-K49 PolarHBondContact OE1-NZ 3.44Å; E46-R64 VanDerWaalsContact CG-CZ 3.49Å; E46-R64 VanDerWaalsContact CG-NH2 3.25Å; E46-R64 IonicContact OE1-CZ 3.2Å; E46-R64 IonicContact OE1-NE 3.31Å; E46-R64 IonicContact OE1-NH2 2.68Å; E46-R64 PolarHBondContact OE1-NH2 2.95Å; E46-R64 IonicContact OE2-CZ 2.72Å; E46-R64 IonicContact OE2-NE 3.62Å; E46-R64 PolarHBondContact OE2-NE 2.81Å; E46-R64 IonicContact OE2-NH2 3.34Å; E46-R64 PolarHBondContact OE2-NH2 3.42Å; E46-H65 WeakPolarHBondContact CB-O 3.3Å; E46-H65 PolarHBondContact N-O 3.27Å; E46-W66 HydrophobicContact CB-CD2 4.12Å; E46-W66 HydrophobicContact CB-CG 4.41Å; E46-W66 HydrophobicContact CB-CZ2 3.86Å; E46-W66 HydrophobicContact CG-CZ2 3.84Å
47	Q	94.4	Very high	92.6	Very high	114 Å²	114	67.1 Å²	67.1	53%	0.533	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-50.6	-177.6	-176.2	64.6	15.3	0	0	113.1	C45 C70	C45-Q47 VanDerWaalsContact C-N 3.28Å; C45-Q47 PolarHBondContact O-N 3.2Å; Q47-C70 HydrophobicContact CB-CB 3.82Å; Q47-C70 HydrophobicContact CG-CB 4.26Å
48	C	95.5	Very high	92.8	Very high	51 Å²	51	67.3 Å²	67.3	35%	0.345	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-5.6	-174	72.7	0	0	0	0	113.8	C45 E50 H67	C45-C48 VanDerWaalsContact SG-SG 3.61Å; C48-E50 PolarHBondContact O-N 3.3Å; C48-E50 VanDerWaalsContact O-N 3.12Å; C48-H67 PolarHBondContact SG-CE1 2.82Å; C48-H67 PolarHBondContact SG-ND1 3.25Å; C48-H67 VanDerWaalsContact SG-ND1 3.39Å
49	K	95.7	Very high	93	Very high	125 Å²	125	65.7 Å²	65.7	54%	0.543	35%	0.345	S	S	.	.			trans	63.9	7.7	-179.7	-49.5	-53.3	-172.2	-171.5	0	115.5	T44 C45 E46	T44-K49 VanDerWaalsContact CG2-O 3.3Å; T44-K49 WeakPolarHBondContact CG2-O 3.47Å; C45-K49 WeakPolarHBondContact O-CA 3.49Å; C45-K49 PolarHBondContact O-N 2.74Å; E46-K49 WeakPolarHBondContact O-CD 3.29Å; E46-K49 WeakPolarHBondContact O-CE 3.47Å; E46-K49 PolarHBondContact O-NZ 2.82Å; E46-K49 IonicContact OE1-NZ 3.55Å; E46-K49 PolarHBondContact OE1-NZ 3.44Å
50	E	94.9	Very high	93.2	Very high	129 Å²	129	65.8 Å²	65.8	60%	0.603	34%	0.341	S	S	*	.			trans	-87.4	156.7	174.3	-62.4	-61.6	157.1	0	0	112	C45 C48	C45-E50 VanDerWaalsContact CB-O 3.3Å; C45-E50 WeakPolarHBondContact CB-O 3.45Å; C45-E50 PolarHBondContact N-O 3.13Å; C48-E50 PolarHBondContact O-N 3.3Å; C48-E50 VanDerWaalsContact O-N 3.12Å
51	K	94.6	Very high	93.3	Very high	97 Å²	97	63.4 Å²	63.4	42%	0.422	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-64.3	141.8	174.1	-68.3	-59.1	-165.8	174.4	0	111.9	A42 T44 G53 H67	A42-K51 HydrophobicContact CB-CB 4.06Å; A42-K51 HydrophobicContact CB-CD 4.15Å; A42-K51 HydrophobicContact CB-CG 4.48Å; A42-K51 WeakPolarHBondContact O-CD 3.14Å; A42-K51 PolarHBondContact O-NZ 3.28Å; T44-K51 PolarHBondContact OG1-NZ 2.82Å; T44-K51 VanDerWaalsContact OG1-NZ 3.13Å; K51-G53 PolarHBondContact O-N 3.12Å; K51-H67 PolarHBondContact O-NE2 3.46Å
52	I	95	Very high	93.3	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.046	35%	0.35	C	S	.	.			trans	-88.1	96.3	173.6	-56	171.1	0	0	0	107.5	A42 N43 C45 D58 H65 W66 H67	A42-I52 VanDerWaalsContact CB-O 3.29Å; A42-I52 WeakPolarHBondContact CB-O 3.3Å; N43-I52 HydrophobicContact CB-CD1 4.37Å; N43-I52 PolarHBondContact O-N 3.16Å; C45-I52 HydrophobicContact CB-CD1 4.24Å; C45-I52 HydrophobicContact CB-CG1 3.91Å; I52-D58 HydrophobicContact CG2-CB 3.88Å; I52-H65 HydrophobicContact CD1-CB 3.67Å; I52-W66 VanDerWaalsContact CD1-C 3.49Å; I52-H67 WeakPolarHBondContact CA-NE2 3.46Å
53	G	90.9	Very high	93.3	Very high	15 Å²	15	75.8 Å²	75.8	16%	0.155	39%	0.386	C	S	.	.			trans	-64.6	162.5	180	0	0	0	0	0	112.7	E38 K51 D55 S56	E38-G53 VanDerWaalsContact CD-CA 3.46Å; E38-G53 WeakPolarHBondContact OE1-CA 3.31Å; K51-G53 PolarHBondContact O-N 3.12Å; G53-D55 PolarHBondContact O-N 3.03Å; G53-D55 VanDerWaalsContact O-N 3.13Å; G53-S56 PolarHBondContact O-N 2.82Å
54	C	84.7	Confident	93.3	Very high	46 Å²	46	75.4 Å²	75.4	31%	0.311	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.7	-178.9	59.8	0	0	0	0	114	I25 E38 S56	I25-C54 HydrophobicContact CD1-CB 3.52Å; E38-C54 PolarHBondContact OE1-N 3.41Å; E38-C54 PolarHBondContact OE1-SG 3.33Å; C54-S56 VanDerWaalsContact C-N 3.33Å
55	D	85.8	Confident	93.3	Very high	115 Å²	115	74.1 Å²	74.1	62%	0.615	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	176.4	-69.6	-26.1	0	0	0	113.6	R23 G53	R23-D55 IonicContact CZ-OD1 2.87Å; R23-D55 IonicContact NH1-OD1 3.74Å; R23-D55 PolarHBondContact NH1-OD1 3.22Å; R23-D55 IonicContact NH1-OD2 2.74Å; R23-D55 PolarHBondContact NH1-OD2 3.5Å; R23-D55 IonicContact NH2-OD1 3.46Å; R23-D55 PolarHBondContact NH2-OD1 3.36Å; G53-D55 PolarHBondContact O-N 3.03Å; G53-D55 VanDerWaalsContact O-N 3.13Å
56	S	89.7	Confident	93.3	Very high	42 Å²	42	74.4 Å²	74.4	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-116	139.4	178.8	-162.8	0	0	0	0	110.8	G53 C54 D58	G53-S56 PolarHBondContact O-N 2.82Å; C54-S56 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.39Å
57	K	92.2	Very high	93.4	Very high	105 Å²	105	72.5 Å²	72.5	46%	0.457	36%	0.361	S	S	.	.			trans	-66.4	118.4	173	-171	179.6	-177.9	-174.1	0	109.5	L59 E68	K57-L59 HydrophobicContact CD-CD2 3.88Å; K57-L59 HydrophobicContact CG-CD2 3.95Å; K57-L59 PolarHBondContact O-N 2.94Å; K57-E68 HydrophobicContact CB-CB 4.23Å; K57-E68 PolarHBondContact O-N 3.49Å
58	D	94.5	Very high	93.4	Very high	60 Å²	60	70.8 Å²	70.8	32%	0.321	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	100.7	173.7	-173.4	-7.1	0	0	0	109.3	N43 I52 S56 H65	N43-D58 PolarHBondContact ND2-OD2 2.9Å; I52-D58 HydrophobicContact CG2-CB 3.88Å; S56-D58 PolarHBondContact O-N 3.39Å; D58-H65 IonicContact OD1-CE1 3.53Å; D58-H65 IonicContact OD1-CG 3.96Å; D58-H65 IonicContact OD1-ND1 3.91Å; D58-H65 PolarHBondContact OD1-ND1 2.81Å; D58-H65 IonicContact OD2-CE1 3.31Å; D58-H65 IonicContact OD2-ND1 3.36Å; D58-H65 PolarHBondContact OD2-ND1 2.91Å
59	L	95.9	Very high	93.4	Very high	23 Å²	23	75.3 Å²	75.3	12%	0.12	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.6	173.6	-62.5	-176.9	0	0	0	108.8	K57 H65 W66 E68 F71 A81	K57-L59 HydrophobicContact CD-CD2 3.88Å; K57-L59 HydrophobicContact CG-CD2 3.95Å; K57-L59 PolarHBondContact O-N 2.94Å; L59-H65 CarbonylContact O-C 3.6Å; L59-H65 WeakPolarHBondContact O-CA 3.35Å; L59-W66 PolarHBondContact N-O 2.84Å; L59-W66 PolarHBondContact O-N 2.97Å; L59-E68 HydrophobicContact CD1-CB 4.2Å; L59-E68 HydrophobicContact CD1-CG 4.31Å; L59-F71 HydrophobicContact CB-CD2 4.45Å; L59-F71 HydrophobicContact CB-CG 4.33Å; L59-F71 HydrophobicContact CD1-CB 3.62Å; L59-F71 HydrophobicContact CD1-CD1 3.81Å; L59-F71 HydrophobicContact CD1-CG 3.81Å; L59-A81 HydrophobicContact CD1-CB 3.68Å
60	S	94.6	Very high	93.5	Very high	79 Å²	79	70.1 Å²	70.1	55%	0.552	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.1	179	63.5	0	0	0	0	112.3	R64	S60-R64 VanDerWaalsContact CA-O 3.28Å; S60-R64 WeakPolarHBondContact CA-O 3.35Å
61	F	93.6	Very high	93.6	Very high	70 Å²	70	64.4 Å²	64.4	31%	0.307	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	116.9	168.7	177.1	-107.3	0	0	0	108.8	R64 W66 F85 T87	F61-R64 PolarHBondContact N-O 3.24Å; F61-R64 PolarHBondContact O-N 3.38Å; F61-W66 HydrophobicContact CB-CZ3 4.1Å; F61-F85 HydrophobicContact CB-CE2 4.39Å; F61-F85 HydrophobicContact CB-CZ 4.06Å; F61-F85 AromaticContact CD1-CE2 3.87Å; F61-F85 HydrophobicContact CD1-CE2 3.87Å; F61-F85 HydrophobicContact CD1-CZ 4.25Å; F61-F85 AromaticContact CD2-CE2 3.9Å; F61-F85 HydrophobicContact CD2-CE2 3.9Å; F61-F85 AromaticContact CD2-CZ 3.51Å; F61-F85 HydrophobicContact CD2-CZ 3.51Å; F61-F85 HydrophobicContact CE1-CE2 4.05Å; F61-F85 HydrophobicContact CE2-CE2 4.07Å; F61-F85 AromaticContact CE2-CZ 3.93Å; F61-F85 HydrophobicContact CE2-CZ 3.93Å; F61-F85 AromaticContact CG-CE2 3.77Å; F61-F85 HydrophobicContact CG-CE2 3.77Å; F61-F85 AromaticContact CG-CZ 3.67Å; F61-F85 HydrophobicContact CG-CZ 3.67Å; F61-F85 HydrophobicContact CZ-CE2 4.14Å; F61-F85 HydrophobicContact CZ-CZ 4.46Å; F61-T87 HydrophobicContact CD1-CG2 3.98Å; F61-T87 HydrophobicContact CE1-CG2 3.48Å; F61-T87 VanDerWaalsContact CE1-CG2 3.48Å; F61-T87 HydrophobicContact CZ-CG2 4.37Å
62	K	91.4	Very high	93.7	Very high	154 Å²	154	64.2 Å²	64.2	67%	0.67	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-136.2	-164.6	-53.8	176.3	177.3	177.2	0	109.3	R64	K62-R64 VanDerWaalsContact C-N 3.27Å; K62-R64 PolarHBondContact O-N 2.99Å
63	E	92.2	Very high	93.9	Very high	178 Å²	178	63.9 Å²	63.9	83%	0.832	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	21.7	-179.2	-54.6	-54	131.9	0	0	113.7
64	R	95.1	Very high	94.1	Very high	54 Å²	54	65.5 Å²	65.5	20%	0.204	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.1	-175.1	-61.6	178.6	89	178.3	16.8	110.7	E46 S60 F61 K62 W66 E90	E46-R64 VanDerWaalsContact CG-CZ 3.49Å; E46-R64 VanDerWaalsContact CG-NH2 3.25Å; E46-R64 IonicContact OE1-CZ 3.2Å; E46-R64 IonicContact OE1-NE 3.31Å; E46-R64 IonicContact OE1-NH2 2.68Å; E46-R64 PolarHBondContact OE1-NH2 2.95Å; E46-R64 IonicContact OE2-CZ 2.72Å; E46-R64 IonicContact OE2-NE 3.62Å; E46-R64 PolarHBondContact OE2-NE 2.81Å; E46-R64 IonicContact OE2-NH2 3.34Å; E46-R64 PolarHBondContact OE2-NH2 3.42Å; S60-R64 VanDerWaalsContact CA-O 3.28Å; S60-R64 WeakPolarHBondContact CA-O 3.35Å; F61-R64 PolarHBondContact N-O 3.24Å; F61-R64 PolarHBondContact O-N 3.38Å; K62-R64 VanDerWaalsContact C-N 3.27Å; K62-R64 PolarHBondContact O-N 2.99Å; R64-W66 VanDerWaalsContact C-CZ3 3.4Å; R64-W66 HydrophobicContact CB-CE3 4.34Å; R64-W66 HydrophobicContact CB-CH2 3.24Å; R64-W66 HydrophobicContact CB-CZ2 4.08Å; R64-W66 HydrophobicContact CB-CZ3 3.41Å; R64-W66 VanDerWaalsContact CB-CZ3 3.41Å; R64-W66 HydrophobicContact CG-CH2 4.24Å; R64-W66 VanDerWaalsContact O-CZ3 3.25Å; R64-W66 WeakPolarHBondContact O-CZ3 3.3Å; R64-E90 VanDerWaalsContact NH1-CB 3.29Å; R64-E90 PolarHBondContact NH1-O 3.49Å; R64-E90 IonicContact NH2-OE2 3.15Å
65	H	96.8	Very high	94.7	Very high	38 Å²	38	64.9 Å²	64.9	18%	0.176	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.6	-169.7	-67	-93.6	0	0	0	111.3	N43 C45 E46 I52 D58 L59	N43-H65 HydrophobicContact CB-CB 3.76Å; N43-H65 VanDerWaalsContact CB-CG 3.49Å; N43-H65 VanDerWaalsContact CG-CE1 3.47Å; N43-H65 PolarHBondContact ND2-CE1 3.36Å; N43-H65 PolarHBondContact ND2-ND1 3.39Å; C45-H65 CarbonylContact C-O 3.53Å; C45-H65 WeakPolarHBondContact CA-O 3.26Å; E46-H65 WeakPolarHBondContact CB-O 3.3Å; E46-H65 PolarHBondContact N-O 3.27Å; I52-H65 HydrophobicContact CD1-CB 3.67Å; D58-H65 IonicContact OD1-CE1 3.53Å; D58-H65 IonicContact OD1-CG 3.96Å; D58-H65 IonicContact OD1-ND1 3.91Å; D58-H65 PolarHBondContact OD1-ND1 2.81Å; D58-H65 IonicContact OD2-CE1 3.31Å; D58-H65 IonicContact OD2-ND1 3.36Å; D58-H65 PolarHBondContact OD2-ND1 2.91Å; L59-H65 CarbonylContact O-C 3.6Å; L59-H65 WeakPolarHBondContact O-CA 3.35Å
66	W	97.2	Very high	95.2	Very high	6 Å²	6	61.8 Å²	61.8	2%	0.023	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.1	177.4	-66.8	-103.8	0	0	0	110.3	E46 I52 L59 F61 R64 C70 F71 L92	E46-W66 HydrophobicContact CB-CD2 4.12Å; E46-W66 HydrophobicContact CB-CG 4.41Å; E46-W66 HydrophobicContact CB-CZ2 3.86Å; E46-W66 HydrophobicContact CG-CZ2 3.84Å; I52-W66 VanDerWaalsContact CD1-C 3.49Å; L59-W66 PolarHBondContact N-O 2.84Å; L59-W66 PolarHBondContact O-N 2.97Å; F61-W66 HydrophobicContact CB-CZ3 4.1Å; R64-W66 VanDerWaalsContact C-CZ3 3.4Å; R64-W66 HydrophobicContact CB-CE3 4.34Å; R64-W66 HydrophobicContact CB-CH2 3.24Å; R64-W66 HydrophobicContact CB-CZ2 4.08Å; R64-W66 HydrophobicContact CB-CZ3 3.41Å; R64-W66 VanDerWaalsContact CB-CZ3 3.41Å; R64-W66 HydrophobicContact CG-CH2 4.24Å; R64-W66 VanDerWaalsContact O-CZ3 3.25Å; R64-W66 WeakPolarHBondContact O-CZ3 3.3Å; W66-C70 HydrophobicContact CB-CB 4.42Å; W66-F71 HydrophobicContact CB-CB 3.97Å; W66-F71 HydrophobicContact CB-CD2 3.81Å; W66-F71 HydrophobicContact CB-CG 4.38Å; W66-F71 AromaticContact CD2-CD2 3.67Å; W66-F71 HydrophobicContact CD2-CD2 3.67Å; W66-F71 HydrophobicContact CD2-CE2 4.04Å; W66-F71 AromaticContact CE3-CD2 3.77Å; W66-F71 HydrophobicContact CE3-CD2 3.77Å; W66-F71 AromaticContact CE3-CE2 3.76Å; W66-F71 HydrophobicContact CE3-CE2 3.76Å; W66-F71 HydrophobicContact CG-CB 4.49Å; W66-F71 AromaticContact CG-CD2 3.7Å; W66-F71 HydrophobicContact CG-CD2 3.7Å; W66-F71 HydrophobicContact CZ3-CE2 4.1Å; W66-L92 HydrophobicContact CD2-CD1 4.26Å; W66-L92 HydrophobicContact CH2-CD1 4.47Å; W66-L92 HydrophobicContact CH2-CD2 4.3Å; W66-L92 HydrophobicContact CZ2-CD1 3.88Å; W66-L92 HydrophobicContact CZ2-CD2 4.18Å; W66-L92 HydrophobicContact CZ2-CG 4.14Å
67	H	96.7	Very high	95.6	Very high	12 Å²	12	64.7 Å²	64.7	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	147.4	158	-54.6	103.4	0	0	0	109	C45 C48 K51 I52 K69 C70 F71	C45-H67 WeakPolarHBondContact CB-CE1 3.18Å; C45-H67 VanDerWaalsContact CB-ND1 3.26Å; C45-H67 WeakPolarHBondContact CB-ND1 3.36Å; C45-H67 PolarHBondContact SG-N 3.12Å; C45-H67 PolarHBondContact SG-ND1 3.12Å; C48-H67 PolarHBondContact SG-CE1 2.82Å; C48-H67 PolarHBondContact SG-ND1 3.25Å; C48-H67 VanDerWaalsContact SG-ND1 3.39Å; K51-H67 PolarHBondContact O-NE2 3.46Å; I52-H67 WeakPolarHBondContact CA-NE2 3.46Å; H67-K69 HydrophobicContact CB-CG 3.89Å; H67-K69 PolarHBondContact O-N 2.86Å; H67-C70 HydrophobicContact CB-CB 3.99Å; H67-C70 CarbonylContact O-C 3.57Å; H67-C70 WeakPolarHBondContact O-CA 3.25Å; H67-C70 VanDerWaalsContact O-CB 3.31Å; H67-C70 WeakPolarHBondContact O-CB 3.45Å; H67-C70 PolarHBondContact O-N 3.13Å; H67-F71 PolarHBondContact O-N 3.3Å
68	E	95.1	Very high	95.8	Very high	79 Å²	79	62.1 Å²	62.1	37%	0.369	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-50.3	-42.6	172.7	-178.5	169.3	-145.7	0	0	113.2	K57 L59 C70 F71 A81	K57-E68 HydrophobicContact CB-CB 4.23Å; K57-E68 PolarHBondContact O-N 3.49Å; L59-E68 HydrophobicContact CD1-CB 4.2Å; L59-E68 HydrophobicContact CD1-CG 4.31Å; E68-C70 PolarHBondContact O-N 3.39Å; E68-F71 PolarHBondContact O-N 2.76Å; E68-A81 HydrophobicContact CG-CB 4.42Å
69	K	95.1	Very high	95.9	Very high	146 Å²	146	61.7 Å²	61.7	64%	0.635	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.9	175.7	69.2	-178	179.5	-176.7	0	114.7	H67 K72	H67-K69 HydrophobicContact CB-CG 3.89Å; H67-K69 PolarHBondContact O-N 2.86Å; K69-K72 VanDerWaalsContact O-CD 3.28Å; K69-K72 WeakPolarHBondContact O-CD 3.28Å; K69-K72 WeakPolarHBondContact O-CE 3.34Å; K69-K72 PolarHBondContact O-NZ 2.9Å
70	C	96.7	Very high	96	Very high	16 Å²	16	60.6 Å²	60.6	11%	0.108	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-100.2	-18.4	-177.4	-74.6	0	0	0	0	112.5	C45 Q47 W66 H67 E68 K72	C45-C70 VanDerWaalsContact SG-CB 3.53Å; Q47-C70 HydrophobicContact CB-CB 3.82Å; Q47-C70 HydrophobicContact CG-CB 4.26Å; W66-C70 HydrophobicContact CB-CB 4.42Å; H67-C70 HydrophobicContact CB-CB 3.99Å; H67-C70 CarbonylContact O-C 3.57Å; H67-C70 WeakPolarHBondContact O-CA 3.25Å; H67-C70 VanDerWaalsContact O-CB 3.31Å; H67-C70 WeakPolarHBondContact O-CB 3.45Å; H67-C70 PolarHBondContact O-N 3.13Å; E68-C70 PolarHBondContact O-N 3.39Å; C70-K72 VanDerWaalsContact C-N 3.28Å; C70-K72 PolarHBondContact O-N 3.35Å
71	F	97.3	Very high	95.9	Very high	9 Å²	9	58 Å²	58	4%	0.039	30%	0.299	C	S	.	.			trans	-78.8	76.7	178.8	-161.2	-108.2	0	0	0	110.8	L59 W66 H67 E68 L80 F85 L92	L59-F71 HydrophobicContact CB-CD2 4.45Å; L59-F71 HydrophobicContact CB-CG 4.33Å; L59-F71 HydrophobicContact CD1-CB 3.62Å; L59-F71 HydrophobicContact CD1-CD1 3.81Å; L59-F71 HydrophobicContact CD1-CG 3.81Å; W66-F71 HydrophobicContact CB-CB 3.97Å; W66-F71 HydrophobicContact CB-CD2 3.81Å; W66-F71 HydrophobicContact CB-CG 4.38Å; W66-F71 AromaticContact CD2-CD2 3.67Å; W66-F71 HydrophobicContact CD2-CD2 3.67Å; W66-F71 HydrophobicContact CD2-CE2 4.04Å; W66-F71 AromaticContact CE3-CD2 3.77Å; W66-F71 HydrophobicContact CE3-CD2 3.77Å; W66-F71 AromaticContact CE3-CE2 3.76Å; W66-F71 HydrophobicContact CE3-CE2 3.76Å; W66-F71 HydrophobicContact CG-CB 4.49Å; W66-F71 AromaticContact CG-CD2 3.7Å; W66-F71 HydrophobicContact CG-CD2 3.7Å; W66-F71 HydrophobicContact CZ3-CE2 4.1Å; H67-F71 PolarHBondContact O-N 3.3Å; E68-F71 PolarHBondContact O-N 2.76Å; F71-L80 HydrophobicContact CD1-CB 3.55Å; F71-L80 HydrophobicContact CE1-CB 3.56Å; F71-L80 HydrophobicContact CG-CB 4.49Å; F71-L80 PolarHBondContact O-N 3.34Å; F71-F85 HydrophobicContact CE1-CD1 4.08Å; F71-F85 AromaticContact CE1-CE1 3.96Å; F71-F85 HydrophobicContact CE1-CE1 3.96Å; F71-F85 HydrophobicContact CE1-CZ 4.4Å; F71-F85 HydrophobicContact CZ-CD1 4.08Å; F71-F85 HydrophobicContact CZ-CD2 4.41Å; F71-F85 AromaticContact CZ-CE1 3.68Å; F71-F85 HydrophobicContact CZ-CE1 3.68Å; F71-F85 HydrophobicContact CZ-CE2 4.03Å; F71-F85 HydrophobicContact CZ-CG 4.44Å; F71-F85 AromaticContact CZ-CZ 3.66Å; F71-F85 HydrophobicContact CZ-CZ 3.66Å; F71-L92 HydrophobicContact CD2-CD1 3.5Å; F71-L92 VanDerWaalsContact CD2-CD1 3.5Å; F71-L92 HydrophobicContact CE2-CD1 3.41Å; F71-L92 VanDerWaalsContact CE2-CD1 3.41Å; F71-L92 HydrophobicContact CE2-CD2 4.36Å; F71-L92 HydrophobicContact CG-CD1 4.3Å; F71-L92 HydrophobicContact CZ-CD1 4.15Å
72	K	97.7	Very high	95.9	Very high	93 Å²	93	61.2 Å²	61.2	40%	0.404	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-128.4	153.5	-170.7	-72.9	172.6	169	162.1	0	111.6	K69 C70 S74 T77 T78	K69-K72 VanDerWaalsContact O-CD 3.28Å; K69-K72 WeakPolarHBondContact O-CD 3.28Å; K69-K72 WeakPolarHBondContact O-CE 3.34Å; K69-K72 PolarHBondContact O-NZ 2.9Å; C70-K72 VanDerWaalsContact C-N 3.28Å; C70-K72 PolarHBondContact O-N 3.35Å; K72-S74 PolarHBondContact O-N 3.5Å; K72-T77 VanDerWaalsContact CD-O 3.3Å; K72-T77 WeakPolarHBondContact CD-O 3.47Å; K72-T77 WeakPolarHBondContact CG-O 3.3Å; K72-T78 CarbonylContact C-O 3.53Å; K72-T78 VanDerWaalsContact CA-O 3.3Å; K72-T78 WeakPolarHBondContact CA-O 3.42Å
73	C	97.9	Very high	96	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.014	31%	0.314	C	S	.	.			trans	-62.7	125	171.9	178.5	0	0	0	0	110.4	A75 C76 T77 T78 L80 L92 C94	C73-A75 PolarHBondContact O-N 2.85Å; C73-A75 VanDerWaalsContact O-N 3.1Å; C73-A75 PolarHBondContact SG-N 3.33Å; C73-A75 VanDerWaalsContact SG-N 3.43Å; C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-T77 WeakPolarHBondContact O-CA 3.12Å; C73-T77 PolarHBondContact O-N 3.48Å; C73-T78 PolarHBondContact N-O 3.18Å; C73-L80 HydrophobicContact CB-CD1 4.44Å; C73-L80 HydrophobicContact CB-CD2 4.1Å; C73-L80 HydrophobicContact CB-CG 4.39Å; C73-L92 CarbonylContact C-O 3.58Å; C73-L92 WeakPolarHBondContact CA-O 3.39Å; C73-C94 HydrophobicContact CB-CB 4.25Å; C73-C94 PolarHBondContact SG-N 3.46Å
74	S	96.6	Very high	96.1	Very high	48 Å²	48	57.3 Å²	57.3	34%	0.336	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.9	177.1	-58.5	0	0	0	0	113.4	K72 Q91 L92	K72-S74 PolarHBondContact O-N 3.5Å; S74-Q91 PolarHBondContact OG-OE1 3.35Å; S74-L92 WeakPolarHBondContact CB-O 3.38Å; S74-L92 PolarHBondContact N-O 2.75Å; S74-L92 PolarHBondContact OG-N 3.43Å; S74-L92 PolarHBondContact OG-O 3.1Å
75	A	96.7	Very high	96.1	Very high	34 Å²	34	57.6 Å²	57.6	28%	0.281	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-50.4	177.4	0	0	0	0	0	113.9	C73 Y93 C97	C73-A75 PolarHBondContact O-N 2.85Å; C73-A75 VanDerWaalsContact O-N 3.1Å; C73-A75 PolarHBondContact SG-N 3.33Å; C73-A75 VanDerWaalsContact SG-N 3.43Å; A75-Y93 HydrophobicContact CB-CD1 3.94Å; A75-Y93 HydrophobicContact CB-CE1 4.06Å; A75-C97 HydrophobicContact CB-CB 3.7Å
76	C	97.2	Very high	96	Very high	49 Å²	49	57.1 Å²	57.1	33%	0.331	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-0.1	-174.2	70.3	0	0	0	0	114	C73 T78	C73-C76 VanDerWaalsContact CB-SG 3.53Å; C76-T78 PolarHBondContact O-N 2.78Å; C76-T78 PolarHBondContact SG-OG1 2.76Å; C76-T78 VanDerWaalsContact SG-OG1 3.36Å
77	T	96.6	Very high	95.9	Very high	104 Å²	104	59.3 Å²	59.3	64%	0.638	33%	0.326	S	S	*	.			trans	61	5	180	73.6	0	0	0	0	116.1	K72 C73	K72-T77 VanDerWaalsContact CD-O 3.3Å; K72-T77 WeakPolarHBondContact CD-O 3.47Å; K72-T77 WeakPolarHBondContact CG-O 3.3Å; C73-T77 WeakPolarHBondContact O-CA 3.12Å; C73-T77 PolarHBondContact O-N 3.48Å
78	T	96.7	Very high	95.8	Very high	51 Å²	51	62.7 Å²	62.7	31%	0.313	34%	0.341	S	S	.	.			trans	-66.4	143.6	177.1	-58.9	0	0	0	0	110.3	K72 C73 C76	K72-T78 CarbonylContact C-O 3.53Å; K72-T78 VanDerWaalsContact CA-O 3.3Å; K72-T78 WeakPolarHBondContact CA-O 3.42Å; C73-T78 PolarHBondContact N-O 3.18Å; C76-T78 PolarHBondContact O-N 2.78Å; C76-T78 PolarHBondContact SG-OG1 2.76Å; C76-T78 VanDerWaalsContact SG-OG1 3.36Å
79	S	96.9	Very high	95.7	Very high	50 Å²	50	66.6 Å²	66.6	35%	0.35	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-59.2	137	174.7	-178.5	0	0	0	0	111.6	A81 R83	S79-A81 PolarHBondContact OG-N 3.01Å; S79-R83 WeakPolarHBondContact O-CD 3.21Å
80	L	97.2	Very high	95.4	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	36%	0.359	C	S	.	.			trans	-105.5	-1.3	177.7	-62	177.5	0	0	0	113	F71 C73 D82 R83 F85 L92 C94	F71-L80 HydrophobicContact CD1-CB 3.55Å; F71-L80 HydrophobicContact CE1-CB 3.56Å; F71-L80 HydrophobicContact CG-CB 4.49Å; F71-L80 PolarHBondContact O-N 3.34Å; C73-L80 HydrophobicContact CB-CD1 4.44Å; C73-L80 HydrophobicContact CB-CD2 4.1Å; C73-L80 HydrophobicContact CB-CG 4.39Å; L80-D82 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact O-N 3.12Å; L80-R83 PolarHBondContact O-N 3.23Å; L80-R83 VanDerWaalsContact O-N 3.16Å; L80-F85 HydrophobicContact CB-CB 4.39Å; L80-F85 HydrophobicContact CD1-CB 3.92Å; L80-F85 HydrophobicContact CD1-CG 4.49Å; L80-F85 HydrophobicContact CD2-CB 4.07Å; L80-F85 HydrophobicContact CG-CB 4.36Å; L80-L92 HydrophobicContact CD1-CB 3.63Å; L80-L92 HydrophobicContact CD1-CD1 4.33Å; L80-C94 HydrophobicContact CD2-CB 3.66Å
81	A	94.3	Very high	95.3	Very high	23 Å²	23	69.4 Å²	69.4	19%	0.19	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.9	-170.3	0	0	0	0	0	113.5	L59 E68 S79	L59-A81 HydrophobicContact CD1-CB 3.68Å; E68-A81 HydrophobicContact CG-CB 4.42Å; S79-A81 PolarHBondContact OG-N 3.01Å
82	D	92.1	Very high	95.3	Very high	139 Å²	139	69.3 Å²	69.3	74%	0.743	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	25.8	-178.7	-52.1	-61.3	0	0	0	112.1	L80	L80-D82 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact O-N 3.12Å
83	R	93.8	Very high	95.3	Very high	146 Å²	146	66 Å²	66	55%	0.551	36%	0.357	S	S	*	.	S	Bend	trans	-128.9	146.3	-176.3	-61.4	-172.6	-176.2	-158.5	1.6	111.3	S79 L80 F85	S79-R83 WeakPolarHBondContact O-CD 3.21Å; L80-R83 PolarHBondContact O-N 3.23Å; L80-R83 VanDerWaalsContact O-N 3.16Å; R83-F85 PolarHBondContact O-N 2.89Å
84	P	94.4	Very high	95.3	Very high	103 Å²	103	66.4 Å²	66.4	67%	0.669	36%	0.361	S	S	*	.			trans	-55.3	135.9	166.2	-23.4	34.2	0	0	0	110.7	S95	P84-S95 PolarHBondContact O-OG 3.25Å
85	F	95.7	Very high	95.2	Very high	61 Å²	61	66.5 Å²	66.5	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.7	178.9	68.4	-88.7	0	0	0	110	F61 F71 L80 R83 T87 L92 Y93	F61-F85 HydrophobicContact CB-CE2 4.39Å; F61-F85 HydrophobicContact CB-CZ 4.06Å; F61-F85 AromaticContact CD1-CE2 3.87Å; F61-F85 HydrophobicContact CD1-CE2 3.87Å; F61-F85 HydrophobicContact CD1-CZ 4.25Å; F61-F85 AromaticContact CD2-CE2 3.9Å; F61-F85 HydrophobicContact CD2-CE2 3.9Å; F61-F85 AromaticContact CD2-CZ 3.51Å; F61-F85 HydrophobicContact CD2-CZ 3.51Å; F61-F85 HydrophobicContact CE1-CE2 4.05Å; F61-F85 HydrophobicContact CE2-CE2 4.07Å; F61-F85 AromaticContact CE2-CZ 3.93Å; F61-F85 HydrophobicContact CE2-CZ 3.93Å; F61-F85 AromaticContact CG-CE2 3.77Å; F61-F85 HydrophobicContact CG-CE2 3.77Å; F61-F85 AromaticContact CG-CZ 3.67Å; F61-F85 HydrophobicContact CG-CZ 3.67Å; F61-F85 HydrophobicContact CZ-CE2 4.14Å; F61-F85 HydrophobicContact CZ-CZ 4.46Å; F71-F85 HydrophobicContact CE1-CD1 4.08Å; F71-F85 AromaticContact CE1-CE1 3.96Å; F71-F85 HydrophobicContact CE1-CE1 3.96Å; F71-F85 HydrophobicContact CE1-CZ 4.4Å; F71-F85 HydrophobicContact CZ-CD1 4.08Å; F71-F85 HydrophobicContact CZ-CD2 4.41Å; F71-F85 AromaticContact CZ-CE1 3.68Å; F71-F85 HydrophobicContact CZ-CE1 3.68Å; F71-F85 HydrophobicContact CZ-CE2 4.03Å; F71-F85 HydrophobicContact CZ-CG 4.44Å; F71-F85 AromaticContact CZ-CZ 3.66Å; F71-F85 HydrophobicContact CZ-CZ 3.66Å; L80-F85 HydrophobicContact CB-CB 4.39Å; L80-F85 HydrophobicContact CD1-CB 3.92Å; L80-F85 HydrophobicContact CD1-CG 4.49Å; L80-F85 HydrophobicContact CD2-CB 4.07Å; L80-F85 HydrophobicContact CG-CB 4.36Å; R83-F85 PolarHBondContact O-N 2.89Å; F85-T87 HydrophobicContact CD2-CG2 4.38Å; F85-T87 HydrophobicContact CE2-CG2 4.25Å; F85-L92 HydrophobicContact CD2-CD2 4.17Å; F85-L92 HydrophobicContact CE2-CD2 4.21Å; F85-Y93 CarbonylContact C-O 3.51Å; F85-Y93 VanDerWaalsContact CA-O 3.24Å; F85-Y93 WeakPolarHBondContact CA-O 3.49Å; F85-Y93 WeakPolarHBondContact CB-O 3.24Å
86	A	94.7	Very high	95	Very high	27 Å²	27	70.2 Å²	70.2	22%	0.223	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.9	174.5	0	0	0	0	0	109.9	Y93 Y98	A86-Y93 PolarHBondContact N-O 2.87Å; A86-Y93 PolarHBondContact O-N 2.88Å; A86-Y98 HydrophobicContact CB-CD1 4.26Å; A86-Y98 HydrophobicContact CB-CD2 3.36Å; A86-Y98 HydrophobicContact CB-CE2 3.63Å; A86-Y98 HydrophobicContact CB-CG 3.69Å
87	T	94.7	Very high	95	Very high	53 Å²	53	69 Å²	69	33%	0.325	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.7	179.2	64.6	0	0	0	0	110.6	F61 F85 Q91 L92	F61-T87 HydrophobicContact CD1-CG2 3.98Å; F61-T87 HydrophobicContact CE1-CG2 3.48Å; F61-T87 VanDerWaalsContact CE1-CG2 3.48Å; F61-T87 HydrophobicContact CZ-CG2 4.37Å; F85-T87 HydrophobicContact CD2-CG2 4.38Å; F85-T87 HydrophobicContact CE2-CG2 4.25Å; T87-Q91 VanDerWaalsContact CA-O 3.27Å; T87-Q91 WeakPolarHBondContact CA-O 3.49Å; T87-L92 HydrophobicContact CG2-CD2 3.69Å
88	K	94.4	Very high	94.9	Very high	83 Å²	83	67.1 Å²	67.1	36%	0.361	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.3	171.4	-176.9	70.3	176.2	-175.8	0	108	E90 Q91 Y93 Y98 F102	K88-E90 PolarHBondContact O-N 2.89Å; K88-Q91 PolarHBondContact N-O 3.47Å; K88-Q91 VanDerWaalsContact N-O 3.1Å; K88-Q91 WeakPolarHBondContact O-CB 3.31Å; K88-Q91 PolarHBondContact O-N 3.15Å; K88-Y93 HydrophobicContact CB-CD2 4.34Å; K88-Y93 HydrophobicContact CB-CE2 4.06Å; K88-Y98 HydrophobicContact CB-CE2 3.96Å; K88-F102 HydrophobicContact CB-CD2 4.38Å; K88-F102 HydrophobicContact CB-CE2 3.91Å; K88-F102 HydrophobicContact CB-CZ 4.08Å; K88-F102 HydrophobicContact CG-CD1 4.35Å; K88-F102 HydrophobicContact CG-CD2 4.4Å; K88-F102 HydrophobicContact CG-CE1 3.98Å; K88-F102 HydrophobicContact CG-CE2 4.05Å; K88-F102 HydrophobicContact CG-CZ 3.81Å
89	E	92.9	Very high	94.8	Very high	160 Å²	160	66.4 Å²	66.4	75%	0.748	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	48.5	178.8	-66.7	164.4	-157.6	0	0	111.5	Q91	E89-Q91 PolarHBondContact O-N 2.9Å
90	E	90.1	Very high	94.5	Very high	139 Å²	139	69 Å²	69	65%	0.65	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-0.5	179.5	-65.1	-179.1	-165.6	0	0	116.7	R64 K88	R64-E90 VanDerWaalsContact NH1-CB 3.29Å; R64-E90 PolarHBondContact NH1-O 3.49Å; R64-E90 IonicContact NH2-OE2 3.15Å; K88-E90 PolarHBondContact O-N 2.89Å
91	Q	94.6	Very high	94.3	Very high	83 Å²	83	75.6 Å²	75.6	39%	0.388	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.5	176.2	-63.4	-60.7	-42.4	0	0	111.7	S74 T87 K88 E89 Y93	S74-Q91 PolarHBondContact OG-OE1 3.35Å; T87-Q91 VanDerWaalsContact CA-O 3.27Å; T87-Q91 WeakPolarHBondContact CA-O 3.49Å; K88-Q91 PolarHBondContact N-O 3.47Å; K88-Q91 VanDerWaalsContact N-O 3.1Å; K88-Q91 WeakPolarHBondContact O-CB 3.31Å; K88-Q91 PolarHBondContact O-N 3.15Å; E89-Q91 PolarHBondContact O-N 2.9Å; Q91-Y93 HydrophobicContact CB-CD2 4.42Å; Q91-Y93 HydrophobicContact CB-CE2 3.58Å
92	L	96.9	Very high	94.3	Very high	6 Å²	6	78.1 Å²	78.1	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.1	178.5	-58.8	178.2	0	0	0	110.2	W66 F71 C73 S74 L80 F85 T87	W66-L92 HydrophobicContact CD2-CD1 4.26Å; W66-L92 HydrophobicContact CH2-CD1 4.47Å; W66-L92 HydrophobicContact CH2-CD2 4.3Å; W66-L92 HydrophobicContact CZ2-CD1 3.88Å; W66-L92 HydrophobicContact CZ2-CD2 4.18Å; W66-L92 HydrophobicContact CZ2-CG 4.14Å; F71-L92 HydrophobicContact CD2-CD1 3.5Å; F71-L92 VanDerWaalsContact CD2-CD1 3.5Å; F71-L92 HydrophobicContact CE2-CD1 3.41Å; F71-L92 VanDerWaalsContact CE2-CD1 3.41Å; F71-L92 HydrophobicContact CE2-CD2 4.36Å; F71-L92 HydrophobicContact CG-CD1 4.3Å; F71-L92 HydrophobicContact CZ-CD1 4.15Å; C73-L92 CarbonylContact C-O 3.58Å; C73-L92 WeakPolarHBondContact CA-O 3.39Å; S74-L92 WeakPolarHBondContact CB-O 3.38Å; S74-L92 PolarHBondContact N-O 2.75Å; S74-L92 PolarHBondContact OG-N 3.43Å; S74-L92 PolarHBondContact OG-O 3.1Å; L80-L92 HydrophobicContact CD1-CB 3.63Å; L80-L92 HydrophobicContact CD1-CD1 4.33Å; F85-L92 HydrophobicContact CD2-CD2 4.17Å; F85-L92 HydrophobicContact CE2-CD2 4.21Å; T87-L92 HydrophobicContact CG2-CD2 3.69Å
93	Y	97.5	Very high	94.3	Very high	23 Å²	23	72.6 Å²	72.6	9%	0.09	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	175.3	-62.4	-84.2	0	0	0	110.5	A75 F85 A86 K88 Q91 C97 Y98 F102	A75-Y93 HydrophobicContact CB-CD1 3.94Å; A75-Y93 HydrophobicContact CB-CE1 4.06Å; F85-Y93 CarbonylContact C-O 3.51Å; F85-Y93 VanDerWaalsContact CA-O 3.24Å; F85-Y93 WeakPolarHBondContact CA-O 3.49Å; F85-Y93 WeakPolarHBondContact CB-O 3.24Å; A86-Y93 PolarHBondContact N-O 2.87Å; A86-Y93 PolarHBondContact O-N 2.88Å; K88-Y93 HydrophobicContact CB-CD2 4.34Å; K88-Y93 HydrophobicContact CB-CE2 4.06Å; Q91-Y93 HydrophobicContact CB-CD2 4.42Å; Q91-Y93 HydrophobicContact CB-CE2 3.58Å; Y93-C97 HydrophobicContact CD1-CB 4.38Å; Y93-Y98 HydrophobicContact CD2-CD2 4.36Å; Y93-F102 AromaticContact CD2-CE2 3.91Å; Y93-F102 HydrophobicContact CD2-CE2 3.91Å; Y93-F102 HydrophobicContact CE1-CE2 4.46Å; Y93-F102 AromaticContact CE2-CE2 3.74Å; Y93-F102 HydrophobicContact CE2-CE2 3.74Å; Y93-F102 AromaticContact CE2-CZ 3.98Å; Y93-F102 HydrophobicContact CE2-CZ 3.98Å; Y93-F102 HydrophobicContact CG-CE2 4.32Å
94	C	96.5	Very high	94.3	Very high	12 Å²	12	68 Å²	68	8%	0.081	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	156.1	162.6	68.4	0	0	0	0	109.3	C73 L80 D96 C97 Y98	C73-C94 HydrophobicContact CB-CB 4.25Å; C73-C94 PolarHBondContact SG-N 3.46Å; L80-C94 HydrophobicContact CD2-CB 3.66Å; C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.31Å; C94-C97 PolarHBondContact O-N 2.83Å; C94-C97 VanDerWaalsContact O-N 3.15Å; C94-C97 PolarHBondContact SG-SG 2.74Å; C94-Y98 WeakPolarHBondContact O-CB 3.47Å; C94-Y98 PolarHBondContact O-N 2.88Å
95	S	94.4	Very high	94.4	Very high	50 Å²	50	67.5 Å²	67.5	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-50.7	-45.7	-178.5	-59	0	0	0	0	113.2	P84 C97 Y98 D99	P84-S95 PolarHBondContact O-OG 3.25Å; S95-C97 PolarHBondContact O-N 2.94Å; S95-Y98 PolarHBondContact O-N 3.48Å; S95-D99 PolarHBondContact O-N 3.48Å
96	D	93.9	Very high	94.5	Very high	111 Å²	111	64.6 Å²	64.6	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-45.3	-179.6	-58.8	-49.8	0	0	0	112.7	C94 Y98 D99 E100	C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.31Å; D96-Y98 VanDerWaalsContact C-N 3.32Å; D96-D99 PolarHBondContact O-N 2.98Å; D96-E100 VanDerWaalsContact O-CB 3.31Å; D96-E100 WeakPolarHBondContact O-CB 3.39Å; D96-E100 PolarHBondContact O-N 3.03Å
97	C	96.1	Very high	94.5	Very high	23 Å²	23	66.4 Å²	66.4	16%	0.155	33%	0.327	C	S	.	.	H	α-helix	trans	-71.4	-29.5	178.5	-70.6	0	0	0	0	112.5	A75 Y93 C94 S95 R101	A75-C97 HydrophobicContact CB-CB 3.7Å; Y93-C97 HydrophobicContact CD1-CB 4.38Å; C94-C97 PolarHBondContact O-N 2.83Å; C94-C97 VanDerWaalsContact O-N 3.15Å; C94-C97 PolarHBondContact SG-SG 2.74Å; S95-C97 PolarHBondContact O-N 2.94Å; C97-R101 WeakPolarHBondContact O-CB 3.27Å; C97-R101 VanDerWaalsContact O-CG 3.27Å; C97-R101 WeakPolarHBondContact O-CG 3.46Å; C97-R101 PolarHBondContact O-N 2.95Å
98	Y	95.2	Very high	94.4	Very high	66 Å²	66	66.3 Å²	66.3	26%	0.259	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-51	173.8	-172.8	-85.7	0	0	0	110.2	A86 K88 Y93 C94 S95 D96 E100 R101 F102	A86-Y98 HydrophobicContact CB-CD1 4.26Å; A86-Y98 HydrophobicContact CB-CD2 3.36Å; A86-Y98 HydrophobicContact CB-CE2 3.63Å; A86-Y98 HydrophobicContact CB-CG 3.69Å; K88-Y98 HydrophobicContact CB-CE2 3.96Å; Y93-Y98 HydrophobicContact CD2-CD2 4.36Å; C94-Y98 WeakPolarHBondContact O-CB 3.47Å; C94-Y98 PolarHBondContact O-N 2.88Å; S95-Y98 PolarHBondContact O-N 3.48Å; D96-Y98 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 3.31Å; Y98-R101 PolarHBondContact O-N 2.72Å; Y98-F102 HydrophobicContact CD1-CD2 4.37Å; Y98-F102 AromaticContact CD2-CD2 3.67Å; Y98-F102 HydrophobicContact CD2-CD2 3.67Å; Y98-F102 HydrophobicContact CD2-CE2 4.11Å; Y98-F102 HydrophobicContact CE1-CB 4.3Å; Y98-F102 AromaticContact CE2-CD2 3.9Å; Y98-F102 HydrophobicContact CE2-CD2 3.9Å; Y98-F102 HydrophobicContact CE2-CE2 4.44Å; Y98-F102 AromaticContact CG-CD2 3.95Å; Y98-F102 HydrophobicContact CG-CD2 3.95Å; Y98-F102 WeakPolarHBondContact O-CB 3.33Å; Y98-F102 VanDerWaalsContact O-CD2 3.28Å; Y98-F102 WeakPolarHBondContact O-CD2 3.42Å; Y98-F102 PolarHBondContact O-N 3.03Å
99	D	93.7	Very high	94.5	Very high	35 Å²	35	65.5 Å²	65.5	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-47.3	179.6	-74.6	-5.3	0	0	0	110.8	S95 D96 R101 F102 A103	S95-D99 PolarHBondContact O-N 3.48Å; D96-D99 PolarHBondContact O-N 2.98Å; D99-R101 PolarHBondContact O-N 3.48Å; D99-R101 VanDerWaalsContact O-N 3.16Å; D99-F102 PolarHBondContact O-N 3.43Å; D99-A103 HydrophobicContact CB-CB 4.2Å; D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 3.43Å
100	E	92.6	Very high	94.6	Very high	104 Å²	104	63.4 Å²	63.4	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-33.6	-179.7	-170	55.8	-132.7	0	0	112.9	D96 Y98 R105	D96-E100 VanDerWaalsContact O-CB 3.31Å; D96-E100 WeakPolarHBondContact O-CB 3.39Å; D96-E100 PolarHBondContact O-N 3.03Å; Y98-E100 PolarHBondContact O-N 3.31Å; E100-R105 PolarHBondContact O-NH2 3.39Å; E100-R105 IonicContact OE1-CZ 2.97Å; E100-R105 IonicContact OE1-NH1 2.66Å; E100-R105 PolarHBondContact OE1-NH1 3.39Å; E100-R105 IonicContact OE1-NH2 2.77Å; E100-R105 PolarHBondContact OE1-NH2 3.1Å
101	R	92.9	Very high	94.9	Very high	141 Å²	141	58 Å²	58	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-90.7	-34.8	-176.8	-71.2	178.5	173.1	-139.5	-0.2	113.7	C97 Y98 D99	C97-R101 WeakPolarHBondContact O-CB 3.27Å; C97-R101 VanDerWaalsContact O-CG 3.27Å; C97-R101 WeakPolarHBondContact O-CG 3.46Å; C97-R101 PolarHBondContact O-N 2.95Å; Y98-R101 PolarHBondContact O-N 2.72Å; D99-R101 PolarHBondContact O-N 3.48Å; D99-R101 VanDerWaalsContact O-N 3.16Å
102	F	93.3	Very high	94.9	Very high	76 Å²	76	55 Å²	55	33%	0.333	30%	0.299	S	S	.	.	H	α-helix	trans	-126.8	-13.8	-163.6	-50.6	-61.2	0	0	0	114.1	K88 Y93 Y98 D99	K88-F102 HydrophobicContact CB-CD2 4.38Å; K88-F102 HydrophobicContact CB-CE2 3.91Å; K88-F102 HydrophobicContact CB-CZ 4.08Å; K88-F102 HydrophobicContact CG-CD1 4.35Å; K88-F102 HydrophobicContact CG-CD2 4.4Å; K88-F102 HydrophobicContact CG-CE1 3.98Å; K88-F102 HydrophobicContact CG-CE2 4.05Å; K88-F102 HydrophobicContact CG-CZ 3.81Å; Y93-F102 AromaticContact CD2-CE2 3.91Å; Y93-F102 HydrophobicContact CD2-CE2 3.91Å; Y93-F102 HydrophobicContact CE1-CE2 4.46Å; Y93-F102 AromaticContact CE2-CE2 3.74Å; Y93-F102 HydrophobicContact CE2-CE2 3.74Å; Y93-F102 AromaticContact CE2-CZ 3.98Å; Y93-F102 HydrophobicContact CE2-CZ 3.98Å; Y93-F102 HydrophobicContact CG-CE2 4.32Å; Y98-F102 HydrophobicContact CD1-CD2 4.37Å; Y98-F102 AromaticContact CD2-CD2 3.67Å; Y98-F102 HydrophobicContact CD2-CD2 3.67Å; Y98-F102 HydrophobicContact CD2-CE2 4.11Å; Y98-F102 HydrophobicContact CE1-CB 4.3Å; Y98-F102 AromaticContact CE2-CD2 3.9Å; Y98-F102 HydrophobicContact CE2-CD2 3.9Å; Y98-F102 HydrophobicContact CE2-CE2 4.44Å; Y98-F102 AromaticContact CG-CD2 3.95Å; Y98-F102 HydrophobicContact CG-CD2 3.95Å; Y98-F102 WeakPolarHBondContact O-CB 3.33Å; Y98-F102 VanDerWaalsContact O-CD2 3.28Å; Y98-F102 WeakPolarHBondContact O-CD2 3.42Å; Y98-F102 PolarHBondContact O-N 3.03Å; D99-F102 PolarHBondContact O-N 3.43Å
103	A	93	Very high	94.8	Very high	23 Å²	23	55.8 Å²	55.8	19%	0.19	30%	0.303	C	S	.	.	S	Bend	trans	-70.4	150	176	0	0	0	0	0	111	D99 V112	D99-A103 HydrophobicContact CB-CB 4.2Å; D99-A103 WeakPolarHBondContact O-CB 3.27Å; D99-A103 PolarHBondContact O-N 3.43Å; A103-V112 HydrophobicContact CB-CB 4.07Å; A103-V112 HydrophobicContact CB-CG1 4.31Å
104	A	94	Very high	94.4	Very high	49 Å²	49	60.3 Å²	60.3	41%	0.405	32%	0.323	S	S	.	.			trans	-59.8	151.1	169.5	0	0	0	0	0	110.9	V112 F113	A104-V112 WeakPolarHBondContact O-CA 3.41Å; A104-F113 HydrophobicContact CB-CD2 4.05Å; A104-F113 WeakPolarHBondContact O-CD2 3.3Å; A104-F113 PolarHBondContact O-N 2.8Å
105	R	96	Very high	93.8	Very high	92 Å²	92	64.4 Å²	64.4	35%	0.347	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-116.2	143.2	-178	-67.7	-180	178.6	-87.5	-0.7	111.2	E100 Q110 G111 V112 Q126	E100-R105 PolarHBondContact O-NH2 3.39Å; E100-R105 IonicContact OE1-CZ 2.97Å; E100-R105 IonicContact OE1-NH1 2.66Å; E100-R105 PolarHBondContact OE1-NH1 3.39Å; E100-R105 IonicContact OE1-NH2 2.77Å; E100-R105 PolarHBondContact OE1-NH2 3.1Å; R105-Q110 PolarHBondContact NH1-O 3.26Å; R105-G111 WeakPolarHBondContact CA-O 3.22Å; R105-V112 HydrophobicContact CG-CG1 4.28Å; R105-Q126 WeakPolarHBondContact O-CG 3.47Å; R105-Q126 PolarHBondContact O-NE2 3.48Å
106	C	97	Very high	93.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.384	C	S	.	.			trans	-69.1	127.1	176.7	171.2	0	0	0	0	110.7	G108 C109 Q110 G111 F113 Q126 H128 C131	C106-G108 PolarHBondContact O-N 3.19Å; C106-G108 PolarHBondContact SG-N 2.94Å; C106-C109 PolarHBondContact O-N 2.91Å; C106-Q110 WeakPolarHBondContact O-CA 3.14Å; C106-Q110 PolarHBondContact O-N 2.88Å; C106-Q110 PolarHBondContact O-NE2 3.4Å; C106-G111 PolarHBondContact N-O 3.19Å; C106-F113 HydrophobicContact CB-CE2 4.02Å; C106-F113 HydrophobicContact CB-CZ 3.84Å; C106-Q126 CarbonylContact C-O 3.57Å; C106-Q126 WeakPolarHBondContact CA-O 3.5Å; C106-H128 WeakPolarHBondContact CB-CE1 3.34Å; C106-H128 WeakPolarHBondContact CB-ND1 3.17Å; C106-H128 PolarHBondContact SG-N 3.18Å; C106-H128 VanDerWaalsContact SG-N 3.38Å; C106-H128 PolarHBondContact SG-ND1 3.5Å; C106-H128 VanDerWaalsContact SG-ND1 3.4Å; C106-C131 WeakPolarHBondContact SG-CB 3.14Å
107	D	95.1	Very high	93.4	Very high	66 Å²	66	64.9 Å²	64.9	35%	0.353	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.1	177.1	-70.8	-82.6	0	0	0	112.9	Q125 Q126 W127	D107-Q125 HydrophobicContact CB-CB 4.19Å; D107-Q125 HydrophobicContact CB-CG 4.35Å; D107-Q125 VanDerWaalsContact OD2-CA 3.27Å; D107-Q125 WeakPolarHBondContact OD2-CA 3.39Å; D107-Q126 PolarHBondContact N-O 2.84Å; D107-Q126 WeakPolarHBondContact OD2-CG 3.49Å; D107-Q126 PolarHBondContact OD2-N 3.38Å; D107-W127 HydrophobicContact CB-CZ2 4.41Å
108	G	93.5	Very high	93.3	Very high	50 Å²	50	70.6 Å²	70.6	52%	0.515	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-48.2	176.3	0	0	0	0	0	114.3	C106 W127	C106-G108 PolarHBondContact O-N 3.19Å; C106-G108 PolarHBondContact SG-N 2.94Å; G108-W127 VanDerWaalsContact N-CD1 3.34Å
109	C	95.9	Very high	93.2	Very high	67 Å²	67	73 Å²	73	45%	0.453	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-4.1	-171.2	73.6	0	0	0	0	114.8	C106 G111 H128 C131	C106-C109 PolarHBondContact O-N 2.91Å; C109-G111 PolarHBondContact O-N 3.16Å; C109-G111 VanDerWaalsContact O-N 3.08Å; C109-G111 PolarHBondContact SG-N 3.42Å; C109-H128 PolarHBondContact SG-CE1 3.37Å; C109-H128 PolarHBondContact SG-ND1 3.19Å; C109-C131 VanDerWaalsContact SG-SG 3.69Å
110	Q	95.4	Very high	93.3	Very high	115 Å²	115	72.2 Å²	72.2	54%	0.537	40%	0.4	S	S	.	.			trans	63.6	3	-174.8	-55.1	-61.3	-49.2	0	0	115.6	R105 C106	R105-Q110 PolarHBondContact NH1-O 3.26Å; C106-Q110 WeakPolarHBondContact O-CA 3.14Å; C106-Q110 PolarHBondContact O-N 2.88Å; C106-Q110 PolarHBondContact O-NE2 3.4Å
111	G	95	Very high	93.4	Very high	26 Å²	26	73 Å²	73	27%	0.268	40%	0.403	S	S	.	.			trans	-70.4	151.6	173.4	0	0	0	0	0	112.4	R105 C106 C109 H128	R105-G111 WeakPolarHBondContact CA-O 3.22Å; C106-G111 PolarHBondContact N-O 3.19Å; C109-G111 PolarHBondContact O-N 3.16Å; C109-G111 VanDerWaalsContact O-N 3.08Å; C109-G111 PolarHBondContact SG-N 3.42Å; G111-H128 PolarHBondContact O-CE1 3.15Å
112	V	95.2	Very high	93.3	Very high	20 Å²	20	69.2 Å²	69.2	12%	0.121	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-72.4	149.6	-179.9	-64.9	0	0	0	0	112.6	A103 A104 R105 K114 H128	A103-V112 HydrophobicContact CB-CB 4.07Å; A103-V112 HydrophobicContact CB-CG1 4.31Å; A104-V112 WeakPolarHBondContact O-CA 3.41Å; R105-V112 HydrophobicContact CG-CG1 4.28Å; V112-K114 HydrophobicContact CG2-CG 4.41Å; V112-H128 PolarHBondContact O-NE2 3.1Å
113	F	94.4	Very high	93.3	Very high	22 Å²	22	73.7 Å²	73.7	10%	0.096	40%	0.404	C	S	.	.			trans	-86	105.4	166	-68.9	-79.6	0	0	0	109.8	A104 C106 K119 Q126 W127 H128	A104-F113 HydrophobicContact CB-CD2 4.05Å; A104-F113 WeakPolarHBondContact O-CD2 3.3Å; A104-F113 PolarHBondContact O-N 2.8Å; C106-F113 HydrophobicContact CB-CE2 4.02Å; C106-F113 HydrophobicContact CB-CZ 3.84Å; F113-K119 HydrophobicContact CD1-CB 3.97Å; F113-K119 HydrophobicContact CE1-CB 3.74Å; F113-K119 HydrophobicContact CZ-CB 4.27Å; F113-Q126 HydrophobicContact CE2-CB 3.94Å; F113-Q126 HydrophobicContact CE2-CG 3.68Å; F113-Q126 HydrophobicContact CZ-CB 4.02Å; F113-Q126 HydrophobicContact CZ-CG 4.22Å; F113-W127 WeakPolarHBondContact CE1-O 3.5Å; F113-W127 VanDerWaalsContact CZ-C 3.45Å; F113-H128 AromaticContact CD1-CD2 3.52Å; F113-H128 AromaticContact CD1-NE2 3.82Å; F113-H128 AromaticContact CE1-CD2 3.42Å; F113-H128 VanDerWaalsContact CE1-CD2 3.42Å; F113-H128 WeakPolarHBondContact CE1-CD2 3.38Å; F113-H128 AromaticContact CE1-NE2 3.94Å
114	K	89.3	Confident	93.2	Very high	119 Å²	119	76.4 Å²	76.4	52%	0.517	44%	0.435	S	S	.	.			trans	-70.2	155.5	174	-59.6	-172.9	177	-169.7	0	110.9	V112 G116 M117	V112-K114 HydrophobicContact CG2-CG 4.41Å; K114-G116 PolarHBondContact O-N 3.35Å; K114-M117 HydrophobicContact CB-CG 3.98Å; K114-M117 HydrophobicContact CB-SD 3.72Å; K114-M117 HydrophobicContact CG-SD 4.05Å; K114-M117 PolarHBondContact N-SD 2.99Å; K114-M117 VanDerWaalsContact N-SD 3.39Å; K114-M117 WeakPolarHBondContact O-CB 3.25Å; K114-M117 WeakPolarHBondContact O-CG 3.42Å; K114-M117 PolarHBondContact O-N 3.08Å
115	A	85	Confident	93.2	Very high	98 Å²	98	77.6 Å²	77.6	81%	0.81	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	130.9	175.6	0	0	0	0	0	111.4	M117	A115-M117 VanDerWaalsContact C-N 3.31Å; A115-M117 PolarHBondContact O-N 2.87Å
116	G	88.5	Confident	93.2	Very high	88 Å²	88	75.2 Å²	75.2	91%	0.907	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-9.4	-178.6	0	0	0	0	0	115.6	K114	K114-G116 PolarHBondContact O-N 3.35Å
117	M	91.4	Very high	93.2	Very high	83 Å²	83	76.8 Å²	76.8	41%	0.409	43%	0.431	S	S	.	.			trans	-67.6	138.9	173.9	-67.3	-173.5	77.7	0	0	110.9	K114 A115 K119	K114-M117 HydrophobicContact CB-CG 3.98Å; K114-M117 HydrophobicContact CB-SD 3.72Å; K114-M117 HydrophobicContact CG-SD 4.05Å; K114-M117 PolarHBondContact N-SD 2.99Å; K114-M117 VanDerWaalsContact N-SD 3.39Å; K114-M117 WeakPolarHBondContact O-CB 3.25Å; K114-M117 WeakPolarHBondContact O-CG 3.42Å; K114-M117 PolarHBondContact O-N 3.08Å; A115-M117 VanDerWaalsContact C-N 3.31Å; A115-M117 PolarHBondContact O-N 2.87Å; M117-K119 PolarHBondContact O-N 2.74Å
118	R	92.7	Very high	93.3	Very high	143 Å²	143	74.4 Å²	74.4	54%	0.54	42%	0.417	S	S	.	.			trans	-73	129.7	172.6	-166.9	172.7	-170.7	172.5	10.7	109.6	Y120	R118-Y120 VanDerWaalsContact CD-OH 3.24Å; R118-Y120 WeakPolarHBondContact CD-OH 3.44Å; R118-Y120 HydrophobicContact CG-CE2 4Å; R118-Y120 PolarHBondContact NE-OH 3.04Å; R118-Y120 VanDerWaalsContact NE-OH 3.1Å; R118-Y120 PolarHBondContact NH1-OH 2.96Å; R118-Y120 VanDerWaalsContact NH1-OH 3.15Å
119	K	93.9	Very high	93.3	Very high	115 Å²	115	75.8 Å²	75.8	50%	0.5	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.7	173.1	59.4	175.6	-178.6	158.1	0	110.5	F113 M117 E121	F113-K119 HydrophobicContact CD1-CB 3.97Å; F113-K119 HydrophobicContact CE1-CB 3.74Å; F113-K119 HydrophobicContact CZ-CB 4.27Å; M117-K119 PolarHBondContact O-N 2.74Å; K119-E121 WeakPolarHBondContact CD-OE1 3.43Å; K119-E121 WeakPolarHBondContact CE-OE1 3.28Å; K119-E121 IonicContact NZ-OE1 2.8Å; K119-E121 PolarHBondContact NZ-OE1 3.41Å
120	Y	95.1	Very high	93.3	Very high	20 Å²	20	78.4 Å²	78.4	8%	0.078	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.5	174.2	-70.6	-78.5	0	0	0	109.4	R118 Q126 W127 E129 F132 G142 A143	R118-Y120 VanDerWaalsContact CD-OH 3.24Å; R118-Y120 WeakPolarHBondContact CD-OH 3.44Å; R118-Y120 HydrophobicContact CG-CE2 4Å; R118-Y120 PolarHBondContact NE-OH 3.04Å; R118-Y120 VanDerWaalsContact NE-OH 3.1Å; R118-Y120 PolarHBondContact NH1-OH 2.96Å; R118-Y120 VanDerWaalsContact NH1-OH 3.15Å; Y120-Q126 CarbonylContact O-C 3.56Å; Y120-Q126 VanDerWaalsContact O-CA 3.28Å; Y120-Q126 WeakPolarHBondContact O-CA 3.24Å; Y120-W127 PolarHBondContact N-O 3.5Å; Y120-W127 PolarHBondContact O-N 3.34Å; Y120-E129 HydrophobicContact CD2-CB 4.3Å; Y120-E129 HydrophobicContact CE2-CB 3.72Å; Y120-E129 HydrophobicContact CE2-CG 3.77Å; Y120-F132 HydrophobicContact CD1-CD1 4.37Å; Y120-F132 HydrophobicContact CD2-CB 4.39Å; Y120-F132 HydrophobicContact CG-CB 4.39Å; Y120-F132 HydrophobicContact CG-CD1 4.1Å; Y120-F132 HydrophobicContact CG-CG 4.4Å; Y120-G142 WeakPolarHBondContact CD1-O 3.42Å; Y120-G142 WeakPolarHBondContact CE1-O 3.38Å; Y120-G142 VanDerWaalsContact OH-CA 3.25Å; Y120-G142 WeakPolarHBondContact OH-CA 3.09Å; Y120-A143 HydrophobicContact CE1-CB 4.18Å; Y120-A143 VanDerWaalsContact CE1-N 3.29Å; Y120-A143 PolarHBondContact OH-N 2.94Å
121	E	94.1	Very high	93.3	Very high	119 Å²	119	74.7 Å²	74.7	56%	0.556	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.6	-174.9	-67.5	178.5	-166.7	0	0	111.5	K119 Q125 Q126	K119-E121 WeakPolarHBondContact CD-OE1 3.43Å; K119-E121 WeakPolarHBondContact CE-OE1 3.28Å; K119-E121 IonicContact NZ-OE1 2.8Å; K119-E121 PolarHBondContact NZ-OE1 3.41Å; E121-Q125 VanDerWaalsContact CA-O 3.24Å; E121-Q125 WeakPolarHBondContact CA-O 3.21Å; E121-Q126 HydrophobicContact CG-CB 4.21Å
122	Y	92.3	Very high	93.4	Very high	63 Å²	63	73.8 Å²	73.8	25%	0.247	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	128.1	172.7	-179.1	-111.6	0	0	0	110.1	G124 Q125 F146 P148	Y122-G124 VanDerWaalsContact C-N 3.27Å; Y122-G124 PolarHBondContact O-N 2.9Å; Y122-Q125 PolarHBondContact N-O 3.31Å; Y122-Q125 PolarHBondContact O-N 3.33Å; Y122-Q125 VanDerWaalsContact O-N 3.15Å; Y122-F146 HydrophobicContact CD1-CE2 4.19Å; Y122-F146 HydrophobicContact CD1-CZ 4.35Å; Y122-F146 AromaticContact CD2-CE2 3.99Å; Y122-F146 HydrophobicContact CD2-CE2 3.99Å; Y122-F146 AromaticContact CD2-CZ 3.56Å; Y122-F146 HydrophobicContact CD2-CZ 3.56Å; Y122-F146 HydrophobicContact CE1-CE2 4.22Å; Y122-F146 HydrophobicContact CE2-CE2 4.01Å; Y122-F146 AromaticContact CE2-CZ 3.95Å; Y122-F146 HydrophobicContact CE2-CZ 3.95Å; Y122-F146 HydrophobicContact CG-CE2 4.08Å; Y122-F146 AromaticContact CG-CZ 3.78Å; Y122-F146 HydrophobicContact CG-CZ 3.78Å; Y122-P148 HydrophobicContact CE1-CB 4.05Å; Y122-P148 VanDerWaalsContact OH-CB 3.23Å; Y122-P148 WeakPolarHBondContact OH-CB 3.27Å; Y122-P148 WeakPolarHBondContact OH-CG 3.32Å
123	R	91.7	Very high	93.4	Very high	169 Å²	169	75.6 Å²	75.6	64%	0.638	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.4	-177.9	-67.1	-176.4	168.1	-170.5	-4.5	113.8	Q125	R123-Q125 PolarHBondContact O-N 2.97Å
124	G	92.1	Very high	93.6	Very high	81 Å²	81	74.6 Å²	74.6	84%	0.835	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-3.3	177.7	0	0	0	0	0	115.3	Y122	Y122-G124 VanDerWaalsContact C-N 3.27Å; Y122-G124 PolarHBondContact O-N 2.9Å
125	Q	93.9	Very high	93.9	Very high	73 Å²	73	70.5 Å²	70.5	34%	0.341	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	155.4	171.2	-70.9	170.5	91.1	0	0	110.1	D107 E121 Y122 R123 W127	D107-Q125 HydrophobicContact CB-CB 4.19Å; D107-Q125 HydrophobicContact CB-CG 4.35Å; D107-Q125 VanDerWaalsContact OD2-CA 3.27Å; D107-Q125 WeakPolarHBondContact OD2-CA 3.39Å; E121-Q125 VanDerWaalsContact CA-O 3.24Å; E121-Q125 WeakPolarHBondContact CA-O 3.21Å; Y122-Q125 PolarHBondContact N-O 3.31Å; Y122-Q125 PolarHBondContact O-N 3.33Å; Y122-Q125 VanDerWaalsContact O-N 3.15Å; R123-Q125 PolarHBondContact O-N 2.97Å; Q125-W127 HydrophobicContact CB-CE3 4.3Å; Q125-W127 HydrophobicContact CB-CH2 3.13Å; Q125-W127 HydrophobicContact CB-CZ2 3.51Å; Q125-W127 HydrophobicContact CB-CZ3 3.55Å; Q125-W127 HydrophobicContact CG-CH2 4.08Å; Q125-W127 HydrophobicContact CG-CZ2 4.2Å; Q125-W127 WeakPolarHBondContact O-CZ3 3.5Å
126	Q	95.9	Very high	94.4	Very high	43 Å²	43	68.1 Å²	68.1	20%	0.201	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.8	-173.5	51.4	-175.2	-24.2	0	0	110.9	R105 C106 D107 F113 Y120 E121	R105-Q126 WeakPolarHBondContact O-CG 3.47Å; R105-Q126 PolarHBondContact O-NE2 3.48Å; C106-Q126 CarbonylContact C-O 3.57Å; C106-Q126 WeakPolarHBondContact CA-O 3.5Å; D107-Q126 PolarHBondContact N-O 2.84Å; D107-Q126 WeakPolarHBondContact OD2-CG 3.49Å; D107-Q126 PolarHBondContact OD2-N 3.38Å; F113-Q126 HydrophobicContact CE2-CB 3.94Å; F113-Q126 HydrophobicContact CE2-CG 3.68Å; F113-Q126 HydrophobicContact CZ-CB 4.02Å; F113-Q126 HydrophobicContact CZ-CG 4.22Å; Y120-Q126 CarbonylContact O-C 3.56Å; Y120-Q126 VanDerWaalsContact O-CA 3.28Å; Y120-Q126 WeakPolarHBondContact O-CA 3.24Å; E121-Q126 HydrophobicContact CG-CB 4.21Å
127	W	96.6	Very high	94.8	Very high	32 Å²	32	66.2 Å²	66.2	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.1	-179.8	-62.5	-91.5	0	0	0	111.7	D107 G108 F113 Y120 Q125 C131 F132	D107-W127 HydrophobicContact CB-CZ2 4.41Å; G108-W127 VanDerWaalsContact N-CD1 3.34Å; F113-W127 WeakPolarHBondContact CE1-O 3.5Å; F113-W127 VanDerWaalsContact CZ-C 3.45Å; Y120-W127 PolarHBondContact N-O 3.5Å; Y120-W127 PolarHBondContact O-N 3.34Å; Q125-W127 HydrophobicContact CB-CE3 4.3Å; Q125-W127 HydrophobicContact CB-CH2 3.13Å; Q125-W127 HydrophobicContact CB-CZ2 3.51Å; Q125-W127 HydrophobicContact CB-CZ3 3.55Å; Q125-W127 HydrophobicContact CG-CH2 4.08Å; Q125-W127 HydrophobicContact CG-CZ2 4.2Å; Q125-W127 WeakPolarHBondContact O-CZ3 3.5Å; W127-C131 HydrophobicContact CB-CB 4.07Å; W127-F132 HydrophobicContact CB-CB 3.88Å; W127-F132 HydrophobicContact CB-CD2 4.3Å; W127-F132 HydrophobicContact CD2-CD2 4.02Å; W127-F132 AromaticContact CE3-CD2 3.82Å; W127-F132 HydrophobicContact CE3-CD2 3.82Å; W127-F132 HydrophobicContact CE3-CE2 4.1Å; W127-F132 HydrophobicContact CG-CD2 4.25Å; W127-F132 HydrophobicContact CZ3-CD2 4.42Å; W127-F132 HydrophobicContact CZ3-CE2 4.26Å
128	H	96.8	Very high	95.1	Very high	16 Å²	16	68.3 Å²	68.3	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	159.1	159.8	-57.7	119.3	0	0	0	110	C106 C109 G111 V112 F113 E130 C131 F132	C106-H128 WeakPolarHBondContact CB-CE1 3.34Å; C106-H128 WeakPolarHBondContact CB-ND1 3.17Å; C106-H128 PolarHBondContact SG-N 3.18Å; C106-H128 VanDerWaalsContact SG-N 3.38Å; C106-H128 PolarHBondContact SG-ND1 3.5Å; C106-H128 VanDerWaalsContact SG-ND1 3.4Å; C109-H128 PolarHBondContact SG-CE1 3.37Å; C109-H128 PolarHBondContact SG-ND1 3.19Å; G111-H128 PolarHBondContact O-CE1 3.15Å; V112-H128 PolarHBondContact O-NE2 3.1Å; F113-H128 AromaticContact CD1-CD2 3.52Å; F113-H128 AromaticContact CD1-NE2 3.82Å; F113-H128 AromaticContact CE1-CD2 3.42Å; F113-H128 VanDerWaalsContact CE1-CD2 3.42Å; F113-H128 WeakPolarHBondContact CE1-CD2 3.38Å; F113-H128 AromaticContact CE1-NE2 3.94Å; H128-E130 WeakPolarHBondContact CB-OE2 3.14Å; H128-E130 PolarHBondContact O-N 3.2Å; H128-C131 HydrophobicContact CB-CB 4.1Å; H128-C131 CarbonylContact O-C 3.52Å; H128-C131 WeakPolarHBondContact O-CA 3.37Å; H128-C131 PolarHBondContact O-N 3.42Å; H128-F132 PolarHBondContact O-N 3.29Å
129	E	94.5	Very high	95.3	Very high	79 Å²	79	67.4 Å²	67.4	37%	0.369	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-43.1	176	-172.2	161.1	173.4	0	0	111.7	Y120 C131 F132	Y120-E129 HydrophobicContact CD2-CB 4.3Å; Y120-E129 HydrophobicContact CE2-CB 3.72Å; Y120-E129 HydrophobicContact CE2-CG 3.77Å; E129-C131 PolarHBondContact O-N 2.9Å; E129-F132 PolarHBondContact O-N 2.98Å
130	E	95.2	Very high	95.4	Very high	123 Å²	123	64.5 Å²	64.5	58%	0.575	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.2	178.6	-51	76.7	-166.3	0	0	112.8	H128 L133	H128-E130 WeakPolarHBondContact CB-OE2 3.14Å; H128-E130 PolarHBondContact O-N 3.2Å; E130-L133 WeakPolarHBondContact O-CD1 3.27Å; E130-L133 WeakPolarHBondContact O-CD2 3.37Å; E130-L133 WeakPolarHBondContact O-CG 3.25Å
131	C	96.2	Very high	95.5	Very high	36 Å²	36	63.7 Å²	63.7	24%	0.243	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-22.4	177.5	-66.6	0	0	0	0	112.3	C106 C109 W127 H128 E129 L133	C106-C131 WeakPolarHBondContact SG-CB 3.14Å; C109-C131 VanDerWaalsContact SG-SG 3.69Å; W127-C131 HydrophobicContact CB-CB 4.07Å; H128-C131 HydrophobicContact CB-CB 4.1Å; H128-C131 CarbonylContact O-C 3.52Å; H128-C131 WeakPolarHBondContact O-CA 3.37Å; H128-C131 PolarHBondContact O-N 3.42Å; E129-C131 PolarHBondContact O-N 2.9Å; C131-L133 PolarHBondContact O-N 2.68Å
132	F	96.1	Very high	95.4	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	-82.5	66.6	177.1	-163.8	-122.6	0	0	0	111.1	Y120 W127 H128 E129 I141 F146 V153	Y120-F132 HydrophobicContact CD1-CD1 4.37Å; Y120-F132 HydrophobicContact CD2-CB 4.39Å; Y120-F132 HydrophobicContact CG-CB 4.39Å; Y120-F132 HydrophobicContact CG-CD1 4.1Å; Y120-F132 HydrophobicContact CG-CG 4.4Å; W127-F132 HydrophobicContact CB-CB 3.88Å; W127-F132 HydrophobicContact CB-CD2 4.3Å; W127-F132 HydrophobicContact CD2-CD2 4.02Å; W127-F132 AromaticContact CE3-CD2 3.82Å; W127-F132 HydrophobicContact CE3-CD2 3.82Å; W127-F132 HydrophobicContact CE3-CE2 4.1Å; W127-F132 HydrophobicContact CG-CD2 4.25Å; W127-F132 HydrophobicContact CZ3-CD2 4.42Å; W127-F132 HydrophobicContact CZ3-CE2 4.26Å; H128-F132 PolarHBondContact O-N 3.29Å; E129-F132 PolarHBondContact O-N 2.98Å; F132-I141 HydrophobicContact CD1-CB 3.83Å; F132-I141 HydrophobicContact CD1-CG2 4.28Å; F132-I141 HydrophobicContact CE1-CB 3.9Å; F132-I141 HydrophobicContact CE1-CD1 4.41Å; F132-I141 HydrophobicContact CE1-CG2 3.88Å; F132-I141 PolarHBondContact O-N 2.94Å; F132-F146 AromaticContact CE1-CD1 3.98Å; F132-F146 HydrophobicContact CE1-CD1 3.98Å; F132-F146 HydrophobicContact CE1-CE1 4.08Å; F132-F146 AromaticContact CZ-CD1 3.84Å; F132-F146 HydrophobicContact CZ-CD1 3.84Å; F132-F146 AromaticContact CZ-CE1 3.69Å; F132-F146 HydrophobicContact CZ-CE1 3.69Å; F132-F146 HydrophobicContact CZ-CE2 4.38Å; F132-F146 HydrophobicContact CZ-CG 4.26Å; F132-F146 AromaticContact CZ-CZ 3.98Å; F132-F146 HydrophobicContact CZ-CZ 3.98Å; F132-V153 HydrophobicContact CD2-CG2 4.31Å; F132-V153 HydrophobicContact CE2-CB 4.41Å; F132-V153 HydrophobicContact CE2-CG1 3.98Å; F132-V153 HydrophobicContact CE2-CG2 3.84Å; F132-V153 HydrophobicContact CZ-CB 4.45Å; F132-V153 HydrophobicContact CZ-CG1 4.12Å; F132-V153 HydrophobicContact CZ-CG2 4.18Å
133	L	96.2	Very high	95.5	Very high	59 Å²	59	58.7 Å²	58.7	31%	0.309	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-96.9	144.4	-170.9	-56.7	-178.4	0	0	0	112.3	E130 C131 V135 K138 Q139 P140 V153	E130-L133 WeakPolarHBondContact O-CD1 3.27Å; E130-L133 WeakPolarHBondContact O-CD2 3.37Å; E130-L133 WeakPolarHBondContact O-CG 3.25Å; C131-L133 PolarHBondContact O-N 2.68Å; L133-V135 PolarHBondContact O-N 3.42Å; L133-K138 WeakPolarHBondContact CD2-O 3.28Å; L133-Q139 WeakPolarHBondContact CA-O 3.37Å; L133-P140 HydrophobicContact CD2-CB 4.16Å; L133-P140 HydrophobicContact CD2-CG 3.72Å; L133-V153 WeakPolarHBondContact O-CG2 3.49Å
134	C	97.3	Very high	95.6	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.317	C	S	.	.			trans	-63.8	127.9	166.6	174.5	0	0	0	0	110	E136 C137 K138 Q139 I141 V153 C155	C134-E136 PolarHBondContact O-N 2.72Å; C134-E136 VanDerWaalsContact O-N 3.17Å; C134-E136 PolarHBondContact SG-N 3.42Å; C134-E136 VanDerWaalsContact SG-N 3.42Å; C134-C137 VanDerWaalsContact CB-SG 3.51Å; C134-C137 VanDerWaalsContact SG-SG 3.66Å; C134-K138 WeakPolarHBondContact O-CA 3.36Å; C134-K138 PolarHBondContact O-N 2.65Å; C134-Q139 PolarHBondContact N-O 2.78Å; C134-I141 HydrophobicContact CB-CD1 4.25Å; C134-I141 HydrophobicContact CB-CG1 4.06Å; C134-V153 WeakPolarHBondContact CA-O 3.35Å; C134-C155 HydrophobicContact CB-CB 3.95Å; C134-C155 PolarHBondContact SG-N 3.22Å
135	V	95.7	Very high	95.7	Very high	33 Å²	33	58.6 Å²	58.6	20%	0.2	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.2	179.8	67	0	0	0	0	113	L133 K138 Q152 V153 V154	L133-V135 PolarHBondContact O-N 3.42Å; V135-K138 VanDerWaalsContact O-CE 3.26Å; V135-K138 WeakPolarHBondContact O-CE 3.46Å; V135-K138 PolarHBondContact O-NZ 2.79Å; V135-Q152 HydrophobicContact CB-CB 4.27Å; V135-Q152 HydrophobicContact CG1-CB 4.13Å; V135-Q152 HydrophobicContact CG2-CG 4.46Å; V135-V153 PolarHBondContact N-O 2.87Å; V135-V154 HydrophobicContact CG1-CG2 3.74Å
136	E	97	Very high	95.8	Very high	48 Å²	48	57.6 Å²	57.6	22%	0.224	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-50.8	-177.3	-59.3	-61.3	163.6	0	0	113.6	C134 V154 C158 K162 Y163	C134-E136 PolarHBondContact O-N 2.72Å; C134-E136 VanDerWaalsContact O-N 3.17Å; C134-E136 PolarHBondContact SG-N 3.42Å; C134-E136 VanDerWaalsContact SG-N 3.42Å; E136-V154 HydrophobicContact CG-CG1 3.68Å; E136-V154 HydrophobicContact CG-CG2 4.25Å; E136-C158 HydrophobicContact CB-CB 3.68Å; E136-C158 HydrophobicContact CG-CB 3.98Å; E136-K162 HydrophobicContact CG-CD 4.36Å; E136-K162 WeakPolarHBondContact OE2-CD 3.4Å; E136-K162 WeakPolarHBondContact OE2-CE 3.37Å; E136-K162 IonicContact OE2-NZ 3.76Å; E136-K162 PolarHBondContact OE2-NZ 2.77Å; E136-Y163 HydrophobicContact CG-CE2 4.38Å; E136-Y163 WeakPolarHBondContact OE1-CE2 3.23Å; E136-Y163 PolarHBondContact OE1-OH 3.38Å
137	C	97.3	Very high	95.8	Very high	48 Å²	48	58.2 Å²	58.2	32%	0.324	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-5.7	-175.7	65.9	0	0	0	0	114.3	C134 Q139 C158	C134-C137 VanDerWaalsContact CB-SG 3.51Å; C134-C137 VanDerWaalsContact SG-SG 3.66Å; C137-Q139 HydrophobicContact CB-CG 4.36Å; C137-Q139 PolarHBondContact O-N 3.17Å; C137-C158 VanDerWaalsContact CB-SG 3.6Å; C137-C158 VanDerWaalsContact SG-SG 3.68Å
138	K	96.4	Very high	95.6	Very high	128 Å²	128	59.4 Å²	59.4	56%	0.557	32%	0.319	S	S	*	.			trans	58.4	14.4	-177.4	-49.2	-54.2	-171.9	-169.4	0	114.8	L133 C134 V135	L133-K138 WeakPolarHBondContact CD2-O 3.28Å; C134-K138 WeakPolarHBondContact O-CA 3.36Å; C134-K138 PolarHBondContact O-N 2.65Å; V135-K138 VanDerWaalsContact O-CE 3.26Å; V135-K138 WeakPolarHBondContact O-CE 3.46Å; V135-K138 PolarHBondContact O-NZ 2.79Å
139	Q	97.1	Very high	95.3	Very high	124 Å²	124	64.1 Å²	64.1	58%	0.579	34%	0.337	S	S	*	.			trans	-86.5	147.1	175.8	-62.5	-58	-54.5	0	0	111.2	L133 C134 C137 I141	L133-Q139 WeakPolarHBondContact CA-O 3.37Å; C134-Q139 PolarHBondContact N-O 2.78Å; C137-Q139 HydrophobicContact CB-CG 4.36Å; C137-Q139 PolarHBondContact O-N 3.17Å; Q139-I141 PolarHBondContact O-N 3.38Å
140	P	96.2	Very high	94.9	Very high	53 Å²	53	68.9 Å²	68.9	34%	0.344	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-54.9	125.7	172	-26.7	35.3	0	0	0	111.7	L133	L133-P140 HydrophobicContact CD2-CB 4.16Å; L133-P140 HydrophobicContact CD2-CG 3.72Å
141	I	96.5	Very high	94.3	Very high	3 Å²	3	70 Å²	70	2%	0.015	37%	0.368	C	S	.	.			trans	-75	-41.9	171.3	-59.3	-174	0	0	0	108.8	F132 C134 Q139 A143 K144 F146 V153 C155	F132-I141 HydrophobicContact CD1-CB 3.83Å; F132-I141 HydrophobicContact CD1-CG2 4.28Å; F132-I141 HydrophobicContact CE1-CB 3.9Å; F132-I141 HydrophobicContact CE1-CD1 4.41Å; F132-I141 HydrophobicContact CE1-CG2 3.88Å; F132-I141 PolarHBondContact O-N 2.94Å; C134-I141 HydrophobicContact CB-CD1 4.25Å; C134-I141 HydrophobicContact CB-CG1 4.06Å; Q139-I141 PolarHBondContact O-N 3.38Å; I141-A143 PolarHBondContact O-N 2.93Å; I141-K144 HydrophobicContact CG2-CB 4.31Å; I141-K144 WeakPolarHBondContact CG2-O 3.42Å; I141-K144 VanDerWaalsContact O-CB 3.27Å; I141-K144 WeakPolarHBondContact O-CB 3.26Å; I141-K144 WeakPolarHBondContact O-CG 3.46Å; I141-K144 PolarHBondContact O-N 3.38Å; I141-F146 HydrophobicContact CD1-CB 3.8Å; I141-F146 HydrophobicContact CG2-CB 3.96Å; I141-F146 HydrophobicContact CG2-CD1 4.32Å; I141-V153 HydrophobicContact CD1-CB 3.83Å; I141-V153 HydrophobicContact CD1-CG2 3.52Å; I141-C155 HydrophobicContact CG1-CB 4.3Å
142	G	93	Very high	94	Very high	6 Å²	6	73.4 Å²	73.4	6%	0.062	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-131.7	-175.4	0	0	0	0	0	111.3	Y120 K144	Y120-G142 WeakPolarHBondContact CD1-O 3.42Å; Y120-G142 WeakPolarHBondContact CE1-O 3.38Å; Y120-G142 VanDerWaalsContact OH-CA 3.25Å; Y120-G142 WeakPolarHBondContact OH-CA 3.09Å; G142-K144 PolarHBondContact O-N 3.46Å
143	A	93.5	Very high	93.9	Very high	71 Å²	71	73.9 Å²	73.9	59%	0.587	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	0.8	-178.1	0	0	0	0	0	114.3	Y120 I141	Y120-A143 HydrophobicContact CE1-CB 4.18Å; Y120-A143 VanDerWaalsContact CE1-N 3.29Å; Y120-A143 PolarHBondContact OH-N 2.94Å; I141-A143 PolarHBondContact O-N 2.93Å
144	K	94.4	Very high	94	Very high	155 Å²	155	71.1 Å²	71.1	67%	0.674	37%	0.37	S	S	*	.	S	Bend	trans	-73	155.9	-179.1	-59.4	170.5	-174.1	166.4	0	109.8	I141 G142	I141-K144 HydrophobicContact CG2-CB 4.31Å; I141-K144 WeakPolarHBondContact CG2-O 3.42Å; I141-K144 VanDerWaalsContact O-CB 3.27Å; I141-K144 WeakPolarHBondContact O-CB 3.26Å; I141-K144 WeakPolarHBondContact O-CG 3.46Å; I141-K144 PolarHBondContact O-N 3.38Å; G142-K144 PolarHBondContact O-N 3.46Å
145	S	94.7	Very high	94	Very high	93 Å²	93	72.1 Å²	72.1	65%	0.65	38%	0.377	S	S	*	.			trans	-62.3	148.8	171.8	-52.7	0	0	0	0	111.4
146	F	95.5	Very high	94	Very high	53 Å²	53	72.6 Å²	72.6	23%	0.232	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.4	177.1	63.3	-88.1	0	0	0	110.4	Y122 F132 I141 V153 V154	Y122-F146 HydrophobicContact CD1-CE2 4.19Å; Y122-F146 HydrophobicContact CD1-CZ 4.35Å; Y122-F146 AromaticContact CD2-CE2 3.99Å; Y122-F146 HydrophobicContact CD2-CE2 3.99Å; Y122-F146 AromaticContact CD2-CZ 3.56Å; Y122-F146 HydrophobicContact CD2-CZ 3.56Å; Y122-F146 HydrophobicContact CE1-CE2 4.22Å; Y122-F146 HydrophobicContact CE2-CE2 4.01Å; Y122-F146 AromaticContact CE2-CZ 3.95Å; Y122-F146 HydrophobicContact CE2-CZ 3.95Å; Y122-F146 HydrophobicContact CG-CE2 4.08Å; Y122-F146 AromaticContact CG-CZ 3.78Å; Y122-F146 HydrophobicContact CG-CZ 3.78Å; F132-F146 AromaticContact CE1-CD1 3.98Å; F132-F146 HydrophobicContact CE1-CD1 3.98Å; F132-F146 HydrophobicContact CE1-CE1 4.08Å; F132-F146 AromaticContact CZ-CD1 3.84Å; F132-F146 HydrophobicContact CZ-CD1 3.84Å; F132-F146 AromaticContact CZ-CE1 3.69Å; F132-F146 HydrophobicContact CZ-CE1 3.69Å; F132-F146 HydrophobicContact CZ-CE2 4.38Å; F132-F146 HydrophobicContact CZ-CG 4.26Å; F132-F146 AromaticContact CZ-CZ 3.98Å; F132-F146 HydrophobicContact CZ-CZ 3.98Å; I141-F146 HydrophobicContact CD1-CB 3.8Å; I141-F146 HydrophobicContact CG2-CB 3.96Å; I141-F146 HydrophobicContact CG2-CD1 4.32Å; F146-V153 HydrophobicContact CB-CB 4.49Å; F146-V153 HydrophobicContact CD2-CB 3.86Å; F146-V153 HydrophobicContact CD2-CG1 3.5Å; F146-V153 HydrophobicContact CE2-CB 4.46Å; F146-V153 HydrophobicContact CE2-CG1 3.61Å; F146-V153 HydrophobicContact CG-CB 4.36Å; F146-V153 HydrophobicContact CG-CG1 4.34Å; F146-V154 WeakPolarHBondContact CA-O 3.4Å; F146-V154 WeakPolarHBondContact CB-O 3.24Å
147	I	94.9	Very high	93.9	Very high	55 Å²	55	74.6 Å²	74.6	28%	0.282	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.2	175.3	-52.3	-61.1	0	0	0	108	V154 Y159	I147-V154 PolarHBondContact N-O 3.15Å; I147-V154 PolarHBondContact O-N 3.41Å; I147-Y159 HydrophobicContact CB-CD2 3.86Å; I147-Y159 HydrophobicContact CB-CE2 4.34Å; I147-Y159 HydrophobicContact CB-CG 4.08Å; I147-Y159 HydrophobicContact CG1-CD1 4.04Å; I147-Y159 HydrophobicContact CG1-CD2 4.05Å; I147-Y159 HydrophobicContact CG1-CG 3.75Å; I147-Y159 HydrophobicContact CG2-CD2 3.71Å; I147-Y159 HydrophobicContact CG2-CE2 3.67Å; I147-Y159 HydrophobicContact CG2-CG 4.28Å
148	P	93.5	Very high	93.9	Very high	58 Å²	58	73.4 Å²	73.4	38%	0.377	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.7	174.4	29.3	-33.7	0	0	0	110.3	Y122	Y122-P148 HydrophobicContact CE1-CB 4.05Å; Y122-P148 VanDerWaalsContact OH-CB 3.23Å; Y122-P148 WeakPolarHBondContact OH-CB 3.27Å; Y122-P148 WeakPolarHBondContact OH-CG 3.32Å
149	R	89.8	Confident	93.9	Very high	115 Å²	115	70.9 Å²	70.9	43%	0.434	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	110.3	168.8	-60.1	-165.8	86.7	-142.8	3.6	107.8	N151 Q152 V154	R149-N151 PolarHBondContact O-N 3.48Å; R149-Q152 PolarHBondContact N-O 2.97Å; R149-Q152 PolarHBondContact O-N 3.17Å; R149-V154 HydrophobicContact CG-CG2 4.27Å
150	E	85.7	Confident	93.8	Very high	178 Å²	178	66.9 Å²	66.9	83%	0.832	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-108.9	-173.9	-58.8	171.4	-172.1	0	0	111.5
151	N	83.3	Confident	93.7	Very high	146 Å²	146	67.6 Å²	67.6	78%	0.781	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	12.3	177.1	-71.9	-16	0	0	0	113.2	R149	R149-N151 PolarHBondContact O-N 3.48Å
152	Q	90.2	Very high	93.5	Very high	108 Å²	108	73.7 Å²	73.7	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.8	-179.5	-63.6	176.8	-11.6	0	0	110.9	V135 R149	V135-Q152 HydrophobicContact CB-CB 4.27Å; V135-Q152 HydrophobicContact CG1-CB 4.13Å; V135-Q152 HydrophobicContact CG2-CG 4.46Å; R149-Q152 PolarHBondContact N-O 2.97Å; R149-Q152 PolarHBondContact O-N 3.17Å
153	V	94.7	Very high	93.5	Very high	18 Å²	18	77.3 Å²	77.3	11%	0.109	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134	176	-65.9	0	0	0	0	110.1	F132 L133 C134 V135 I141 F146	F132-V153 HydrophobicContact CD2-CG2 4.31Å; F132-V153 HydrophobicContact CE2-CB 4.41Å; F132-V153 HydrophobicContact CE2-CG1 3.98Å; F132-V153 HydrophobicContact CE2-CG2 3.84Å; F132-V153 HydrophobicContact CZ-CB 4.45Å; F132-V153 HydrophobicContact CZ-CG1 4.12Å; F132-V153 HydrophobicContact CZ-CG2 4.18Å; L133-V153 WeakPolarHBondContact O-CG2 3.49Å; C134-V153 WeakPolarHBondContact CA-O 3.35Å; V135-V153 PolarHBondContact N-O 2.87Å; I141-V153 HydrophobicContact CD1-CB 3.83Å; I141-V153 HydrophobicContact CD1-CG2 3.52Å; F146-V153 HydrophobicContact CB-CB 4.49Å; F146-V153 HydrophobicContact CD2-CB 3.86Å; F146-V153 HydrophobicContact CD2-CG1 3.5Å; F146-V153 HydrophobicContact CE2-CB 4.46Å; F146-V153 HydrophobicContact CE2-CG1 3.61Å; F146-V153 HydrophobicContact CG-CB 4.36Å; F146-V153 HydrophobicContact CG-CG1 4.34Å
154	V	96.9	Very high	93.4	Very high	1 Å²	1	74.8 Å²	74.8	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	176.1	-175	0	0	0	0	107.8	V135 E136 F146 I147 R149 C158 Y163	V135-V154 HydrophobicContact CG1-CG2 3.74Å; E136-V154 HydrophobicContact CG-CG1 3.68Å; E136-V154 HydrophobicContact CG-CG2 4.25Å; F146-V154 WeakPolarHBondContact CA-O 3.4Å; F146-V154 WeakPolarHBondContact CB-O 3.24Å; I147-V154 PolarHBondContact N-O 3.15Å; I147-V154 PolarHBondContact O-N 3.41Å; R149-V154 HydrophobicContact CG-CG2 4.27Å; V154-C158 HydrophobicContact CG1-CB 3.74Å; V154-Y163 HydrophobicContact CG1-CE2 4.45Å; V154-Y163 HydrophobicContact CG2-CE2 4.47Å
155	C	97.2	Very high	93.5	Very high	20 Å²	20	73.1 Å²	73.1	14%	0.135	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150.2	173.1	71.7	0	0	0	0	110.5	C134 I141 C158 Y159	C134-C155 HydrophobicContact CB-CB 3.95Å; C134-C155 PolarHBondContact SG-N 3.22Å; I141-C155 HydrophobicContact CG1-CB 4.3Å; C155-C158 PolarHBondContact O-N 2.84Å; C155-C158 VanDerWaalsContact O-N 3.15Å; C155-C158 PolarHBondContact SG-SG 3.01Å; C155-Y159 PolarHBondContact O-N 2.51Å
156	V	95.7	Very high	93.6	Very high	44 Å²	44	74 Å²	74	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-52.1	-45.9	-177.2	173.1	0	0	0	0	113	C158 Y159 E160	V156-C158 PolarHBondContact O-N 2.99Å; V156-Y159 PolarHBondContact O-N 3.05Å; V156-E160 HydrophobicContact CG1-CG 4.14Å; V156-E160 WeakPolarHBondContact O-CG 3.46Å; V156-E160 PolarHBondContact O-N 3.4Å
157	P	96	Very high	93.7	Very high	90 Å²	90	71.6 Å²	71.6	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-43.4	178.7	-25.4	35.1	0	0	0	113.8	Y159 E160 A161	P157-Y159 VanDerWaalsContact C-N 3.31Å; P157-Y159 PolarHBondContact O-N 2.89Å; P157-E160 PolarHBondContact O-N 2.86Å; P157-A161 VanDerWaalsContact O-CB 3.32Å; P157-A161 WeakPolarHBondContact O-CB 3.44Å; P157-A161 PolarHBondContact O-N 2.89Å
158	C	97.2	Very high	93.7	Very high	23 Å²	23	71.9 Å²	71.9	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-36.5	177.1	-72	0	0	0	0	111.7	E136 C137 V154 C155 V156 A161 K162	E136-C158 HydrophobicContact CB-CB 3.68Å; E136-C158 HydrophobicContact CG-CB 3.98Å; C137-C158 VanDerWaalsContact CB-SG 3.6Å; C137-C158 VanDerWaalsContact SG-SG 3.68Å; V154-C158 HydrophobicContact CG1-CB 3.74Å; C155-C158 PolarHBondContact O-N 2.84Å; C155-C158 VanDerWaalsContact O-N 3.15Å; C155-C158 PolarHBondContact SG-SG 3.01Å; V156-C158 PolarHBondContact O-N 2.99Å; C158-A161 PolarHBondContact O-N 3.07Å; C158-K162 PolarHBondContact O-N 2.97Å
159	Y	95.6	Very high	93.8	Very high	75 Å²	75	74.5 Å²	74.5	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-47.7	175.1	-177.6	-88.9	0	0	0	111.7	I147 C155 V156 P157 A161 K162 Y163 A164	I147-Y159 HydrophobicContact CB-CD2 3.86Å; I147-Y159 HydrophobicContact CB-CE2 4.34Å; I147-Y159 HydrophobicContact CB-CG 4.08Å; I147-Y159 HydrophobicContact CG1-CD1 4.04Å; I147-Y159 HydrophobicContact CG1-CD2 4.05Å; I147-Y159 HydrophobicContact CG1-CG 3.75Å; I147-Y159 HydrophobicContact CG2-CD2 3.71Å; I147-Y159 HydrophobicContact CG2-CE2 3.67Å; I147-Y159 HydrophobicContact CG2-CG 4.28Å; C155-Y159 PolarHBondContact O-N 2.51Å; V156-Y159 PolarHBondContact O-N 3.05Å; P157-Y159 VanDerWaalsContact C-N 3.31Å; P157-Y159 PolarHBondContact O-N 2.89Å; Y159-A161 VanDerWaalsContact C-N 3.28Å; Y159-A161 PolarHBondContact O-N 3.36Å; Y159-K162 PolarHBondContact O-N 3.15Å; Y159-Y163 AromaticContact CD2-CD2 3.75Å; Y159-Y163 HydrophobicContact CD2-CD2 3.75Å; Y159-Y163 HydrophobicContact CD2-CG 4.25Å; Y159-Y163 HydrophobicContact CE2-CD2 4.28Å; Y159-Y163 HydrophobicContact CE2-CG 4.38Å; Y159-Y163 HydrophobicContact CG-CD2 4.38Å; Y159-Y163 WeakPolarHBondContact O-CA 3.43Å; Y159-Y163 WeakPolarHBondContact O-CB 3.4Å; Y159-Y163 PolarHBondContact O-N 3.28Å; Y159-A164 HydrophobicContact CD1-CB 4.48Å; Y159-A164 HydrophobicContact CE1-CB 4.34Å; Y159-A164 PolarHBondContact O-N 3.22Å; Y159-A164 VanDerWaalsContact O-N 3.11Å
160	E	94.6	Very high	94.1	Very high	39 Å²	39	71.4 Å²	71.4	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-35.9	177.1	-72	-171.4	156	0	0	112.5	V156 P157 R166 V173 R175	V156-E160 HydrophobicContact CG1-CG 4.14Å; V156-E160 WeakPolarHBondContact O-CG 3.46Å; V156-E160 PolarHBondContact O-N 3.4Å; P157-E160 PolarHBondContact O-N 2.86Å; E160-R166 PolarHBondContact O-NH2 3.02Å; E160-V173 HydrophobicContact CB-CG2 4.19Å; E160-V173 HydrophobicContact CG-CG1 4.25Å; E160-V173 HydrophobicContact CG-CG2 4.5Å; E160-R175 IonicContact OE1-CZ 3.05Å; E160-R175 VanDerWaalsContact OE1-CZ 3.31Å; E160-R175 IonicContact OE1-NE 3.85Å; E160-R175 PolarHBondContact OE1-NE 2.89Å; E160-R175 IonicContact OE1-NH2 3.55Å; E160-R175 PolarHBondContact OE1-NH2 3.37Å; E160-R175 IonicContact OE2-NH2 3.53Å; E160-R175 PolarHBondContact OE2-NH2 3.38Å
161	A	93.9	Very high	94.6	Very high	69 Å²	69	66.6 Å²	66.6	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-70.9	-46	177.9	0	0	0	0	0	112.9	P157 C158 Y159	P157-A161 VanDerWaalsContact O-CB 3.32Å; P157-A161 WeakPolarHBondContact O-CB 3.44Å; P157-A161 PolarHBondContact O-N 2.89Å; C158-A161 PolarHBondContact O-N 3.07Å; Y159-A161 VanDerWaalsContact C-N 3.28Å; Y159-A161 PolarHBondContact O-N 3.36Å
162	K	93.5	Very high	95.2	Very high	130 Å²	130	65.5 Å²	65.5	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-97.4	-30.2	-170.6	-69.4	-168.5	176	-172.2	0	115.1	E136 C158 Y159	E136-K162 HydrophobicContact CG-CD 4.36Å; E136-K162 WeakPolarHBondContact OE2-CD 3.4Å; E136-K162 WeakPolarHBondContact OE2-CE 3.37Å; E136-K162 IonicContact OE2-NZ 3.76Å; E136-K162 PolarHBondContact OE2-NZ 2.77Å; C158-K162 PolarHBondContact O-N 2.97Å; Y159-K162 PolarHBondContact O-N 3.15Å
163	Y	92.2	Very high	95.5	Very high	82 Å²	82	61.2 Å²	61.2	32%	0.322	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-21	-163.8	-56.1	-57	0	0	0	114.4	E136 V154 Y159	E136-Y163 HydrophobicContact CG-CE2 4.38Å; E136-Y163 WeakPolarHBondContact OE1-CE2 3.23Å; E136-Y163 PolarHBondContact OE1-OH 3.38Å; V154-Y163 HydrophobicContact CG1-CE2 4.45Å; V154-Y163 HydrophobicContact CG2-CE2 4.47Å; Y159-Y163 AromaticContact CD2-CD2 3.75Å; Y159-Y163 HydrophobicContact CD2-CD2 3.75Å; Y159-Y163 HydrophobicContact CD2-CG 4.25Å; Y159-Y163 HydrophobicContact CE2-CD2 4.28Å; Y159-Y163 HydrophobicContact CE2-CG 4.38Å; Y159-Y163 HydrophobicContact CG-CD2 4.38Å; Y159-Y163 WeakPolarHBondContact O-CA 3.43Å; Y159-Y163 WeakPolarHBondContact O-CB 3.4Å; Y159-Y163 PolarHBondContact O-N 3.28Å
164	A	92.7	Very high	95.5	Very high	19 Å²	19	61.5 Å²	61.5	16%	0.157	32%	0.323	C	S	.	.			trans	-76.2	140.9	-175.3	0	0	0	0	0	112.5	Y159 V173	Y159-A164 HydrophobicContact CD1-CB 4.48Å; Y159-A164 HydrophobicContact CE1-CB 4.34Å; Y159-A164 PolarHBondContact O-N 3.22Å; Y159-A164 VanDerWaalsContact O-N 3.11Å; A164-V173 HydrophobicContact CB-CG1 3.55Å; A164-V173 HydrophobicContact CB-CG2 4.22Å
165	Q	95	Very high	95.2	Very high	120 Å²	120	70.3 Å²	70.3	56%	0.561	36%	0.356	S	S	*	.			trans	-69.4	138.1	171.8	-66.2	-177.8	-1.3	0	0	110.1	I174 P185	Q165-I174 PolarHBondContact O-N 3.41Å; Q165-P185 HydrophobicContact CB-CB 4.22Å; Q165-P185 HydrophobicContact CB-CG 4.12Å
166	R	96.8	Very high	94.8	Very high	111 Å²	111	80.5 Å²	80.5	42%	0.419	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-112	134.1	-179.9	-68.6	179.2	-179.5	-79.8	-9	110.1	E160 T168 S171 E172 V173 P185	E160-R166 PolarHBondContact O-NH2 3.02Å; R166-T168 PolarHBondContact O-N 3.36Å; R166-S171 PolarHBondContact NH1-O 3.35Å; R166-E172 CarbonylContact C-O 3.53Å; R166-E172 WeakPolarHBondContact CA-O 3.46Å; R166-V173 HydrophobicContact CG-CG2 4.45Å; R166-P185 WeakPolarHBondContact O-CG 3.41Å
167	C	97.6	Very high	94.5	Very high	2 Å²	2	80.8 Å²	80.8	1%	0.014	40%	0.404	C	S	.	.			trans	-63.3	133.9	-179.9	173.3	0	0	0	0	111.1	K169 C170 S171 E172 I174 P185 H187 C190	C167-K169 PolarHBondContact O-N 3.11Å; C167-K169 PolarHBondContact SG-N 2.84Å; C167-K169 VanDerWaalsContact SG-N 3.37Å; C167-C170 VanDerWaalsContact CB-SG 3.56Å; C167-S171 WeakPolarHBondContact O-CA 3.06Å; C167-S171 PolarHBondContact O-N 2.81Å; C167-E172 PolarHBondContact N-O 3.22Å; C167-I174 HydrophobicContact CB-CD1 4.11Å; C167-I174 HydrophobicContact CB-CG1 4Å; C167-P185 WeakPolarHBondContact CA-O 3.41Å; C167-H187 WeakPolarHBondContact CB-ND1 3.27Å; C167-H187 PolarHBondContact SG-N 3.44Å; C167-H187 VanDerWaalsContact SG-N 3.38Å; C167-C190 WeakPolarHBondContact SG-CB 3.18Å
168	T	95.7	Very high	94.4	Very high	62 Å²	62	78.1 Å²	78.1	38%	0.38	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30	179.9	-50.9	0	0	0	0	113.1	R166 N184 P185 W186	R166-T168 PolarHBondContact O-N 3.36Å; T168-N184 HydrophobicContact CG2-CB 4.45Å; T168-N184 WeakPolarHBondContact OG1-CB 3.17Å; T168-P185 PolarHBondContact N-O 2.87Å; T168-P185 PolarHBondContact OG1-O 2.92Å; T168-W186 HydrophobicContact CG2-CH2 3.78Å; T168-W186 HydrophobicContact CG2-CZ2 3.5Å
169	K	95.1	Very high	94.4	Very high	113 Å²	113	78.7 Å²	78.7	49%	0.491	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-49.9	-179.7	-166.8	172.3	175.5	-174.7	0	113.5	C167 W186 C190 T192	C167-K169 PolarHBondContact O-N 3.11Å; C167-K169 PolarHBondContact SG-N 2.84Å; C167-K169 VanDerWaalsContact SG-N 3.37Å; K169-W186 HydrophobicContact CB-CE3 3.85Å; K169-W186 HydrophobicContact CB-CZ3 3.66Å; K169-W186 HydrophobicContact CG-CZ3 4.43Å; K169-C190 HydrophobicContact CB-CB 3.8Å; K169-C190 HydrophobicContact CD-CB 3.84Å; K169-C190 WeakPolarHBondContact CD-O 3.4Å; K169-C190 HydrophobicContact CG-CB 4.39Å; K169-T192 PolarHBondContact NZ-OG1 2.94Å
170	C	96.3	Very high	94.4	Very high	50 Å²	50	79.9 Å²	79.9	34%	0.338	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-5.1	-169.7	65.3	0	0	0	0	113.9	C167 E172 H187	C167-C170 VanDerWaalsContact CB-SG 3.56Å; C170-E172 PolarHBondContact O-N 2.97Å; C170-H187 VanDerWaalsContact SG-CE1 3.58Å; C170-H187 PolarHBondContact SG-ND1 2.98Å; C170-H187 VanDerWaalsContact SG-ND1 3.35Å
171	S	95.7	Very high	94.4	Very high	77 Å²	77	79.6 Å²	79.6	54%	0.538	41%	0.408	S	S	.	.			trans	62.6	0.9	-177.2	-52.1	0	0	0	0	115.9	R166 C167	R166-S171 PolarHBondContact NH1-O 3.35Å; C167-S171 WeakPolarHBondContact O-CA 3.06Å; C167-S171 PolarHBondContact O-N 2.81Å
172	E	96.3	Very high	94.3	Very high	122 Å²	122	81.3 Å²	81.3	57%	0.57	40%	0.403	S	S	*	.			trans	-78.2	155.1	176.1	-66.6	-54.8	140.7	0	0	112.9	R166 C167 C170 H187	R166-E172 CarbonylContact C-O 3.53Å; R166-E172 WeakPolarHBondContact CA-O 3.46Å; C167-E172 PolarHBondContact N-O 3.22Å; C170-E172 PolarHBondContact O-N 2.97Å; E172-H187 PolarHBondContact O-CE1 3.44Å
173	V	95.7	Very high	94.3	Very high	19 Å²	19	78.1 Å²	78.1	12%	0.115	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-66.7	132.8	-177.8	172.4	0	0	0	0	111.7	E160 A164 R166 R175 H187	E160-V173 HydrophobicContact CB-CG2 4.19Å; E160-V173 HydrophobicContact CG-CG1 4.25Å; E160-V173 HydrophobicContact CG-CG2 4.5Å; A164-V173 HydrophobicContact CB-CG1 3.55Å; A164-V173 HydrophobicContact CB-CG2 4.22Å; R166-V173 HydrophobicContact CG-CG2 4.45Å; V173-R175 HydrophobicContact CG1-CG 4.03Å; V173-R175 PolarHBondContact O-N 2.84Å; V173-H187 PolarHBondContact O-NE2 3.27Å
174	I	95.6	Very high	94.5	Very high	23 Å²	23	78.1 Å²	78.1	12%	0.118	41%	0.413	C	S	.	.			trans	-86	91.5	172.6	-60.1	165.5	0	0	0	108.6	Q165 C167 P185	Q165-I174 PolarHBondContact O-N 3.41Å; C167-I174 HydrophobicContact CB-CD1 4.11Å; C167-I174 HydrophobicContact CB-CG1 4Å; I174-P185 HydrophobicContact CD1-CB 3.69Å; I174-P185 HydrophobicContact CD1-CG 4.39Å
175	R	90.7	Very high	94.7	Very high	186 Å²	186	78.4 Å²	78.4	70%	0.702	41%	0.413	S	S	*	.			trans	-71.1	-35.1	-178.8	-68.9	-178.8	170.8	153.9	2.4	113.3	E160 V173	E160-R175 IonicContact OE1-CZ 3.05Å; E160-R175 VanDerWaalsContact OE1-CZ 3.31Å; E160-R175 IonicContact OE1-NE 3.85Å; E160-R175 PolarHBondContact OE1-NE 2.89Å; E160-R175 IonicContact OE1-NH2 3.55Å; E160-R175 PolarHBondContact OE1-NH2 3.37Å; E160-R175 IonicContact OE2-NH2 3.53Å; E160-R175 PolarHBondContact OE2-NH2 3.38Å; V173-R175 HydrophobicContact CG1-CG 4.03Å; V173-R175 PolarHBondContact O-N 2.84Å
176	R	89.8	Confident	94.8	Very high	234 Å²	234	74.6 Å²	74.6	88%	0.883	39%	0.393	S	S	*	.	S	Bend	trans	-151.8	142.3	-177.5	-63.8	-172.4	178.7	-151.2	-1.8	111.3	G178	R176-G178 VanDerWaalsContact C-N 3.34Å; R176-G178 PolarHBondContact O-N 3.22Å
177	G	88	Confident	94.9	Very high	51 Å²	51	71 Å²	71	53%	0.526	38%	0.381	S	S	.	.			trans	61.7	30.3	159.9	0	0	0	0	0	116.6	K188	G177-K188 WeakPolarHBondContact O-CD 3.46Å; G177-K188 WeakPolarHBondContact O-CE 3.32Å; G177-K188 VanDerWaalsContact O-CG 3.32Å; G177-K188 WeakPolarHBondContact O-CG 3.12Å
178	G	94.7	Very high	94.8	Very high	34 Å²	34	75.3 Å²	75.3	35%	0.351	40%	0.4	S	S	.	.			trans	-67.1	175.5	173.2	0	0	0	0	0	113.7	R176 W186	R176-G178 VanDerWaalsContact C-N 3.34Å; R176-G178 PolarHBondContact O-N 3.22Å; G178-W186 CarbonylContact C-O 3.56Å; G178-W186 WeakPolarHBondContact CA-O 3.46Å
179	V	96.4	Very high	94.8	Very high	34 Å²	34	77.7 Å²	77.7	21%	0.206	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.1	173.3	-64.4	0	0	0	0	110	P185 W186 K188 F191 A201	V179-P185 CarbonylContact O-C 3.55Å; V179-W186 HydrophobicContact CG2-CB 3.98Å; V179-W186 PolarHBondContact N-O 2.93Å; V179-W186 PolarHBondContact O-N 3.4Å; V179-K188 HydrophobicContact CG1-CG 3.87Å; V179-F191 HydrophobicContact CG2-CB 3.84Å; V179-F191 HydrophobicContact CG2-CD1 4.15Å; V179-F191 HydrophobicContact CG2-CG 4.02Å; V179-A201 HydrophobicContact CG1-CB 3.93Å
180	T	96	Very high	94.9	Very high	100 Å²	100	73.3 Å²	73.3	61%	0.613	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.9	174.2	-56.2	0	0	0	0	109	N184	T180-N184 WeakPolarHBondContact CA-O 3.44Å
181	Y	94.2	Very high	95	Very high	34 Å²	34	71.2 Å²	71.2	13%	0.133	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.6	175.2	174.1	-112.6	0	0	0	109.5	G183 N184 F191 F205 S207	Y181-G183 PolarHBondContact O-N 2.8Å; Y181-N184 PolarHBondContact N-O 3.32Å; Y181-N184 WeakPolarHBondContact O-CB 3.15Å; Y181-N184 PolarHBondContact O-N 2.81Å; Y181-F191 AromaticContact CD1-CE2 3.6Å; Y181-F191 HydrophobicContact CD1-CE2 3.6Å; Y181-F191 HydrophobicContact CD1-CZ 4.03Å; Y181-F191 HydrophobicContact CD2-CE2 4.35Å; Y181-F191 AromaticContact CD2-CZ 3.97Å; Y181-F191 HydrophobicContact CD2-CZ 3.97Å; Y181-F191 HydrophobicContact CE1-CE2 4.34Å; Y181-F191 AromaticContact CG-CE2 3.6Å; Y181-F191 HydrophobicContact CG-CE2 3.6Å; Y181-F191 AromaticContact CG-CZ 3.68Å; Y181-F191 HydrophobicContact CG-CZ 3.68Å; Y181-F205 AromaticContact CD2-CE2 3.95Å; Y181-F205 HydrophobicContact CD2-CE2 3.95Å; Y181-F205 AromaticContact CD2-CZ 3.66Å; Y181-F205 HydrophobicContact CD2-CZ 3.66Å; Y181-F205 AromaticContact CE2-CE2 3.51Å; Y181-F205 HydrophobicContact CE2-CE2 3.51Å; Y181-F205 AromaticContact CE2-CZ 3.64Å; Y181-F205 HydrophobicContact CE2-CZ 3.64Å; Y181-F205 AromaticContact CZ-CE2 3.99Å; Y181-S207 WeakPolarHBondContact OH-CB 3.27Å; Y181-S207 PolarHBondContact OH-OG 3.03Å; Y181-S207 VanDerWaalsContact OH-OG 3.11Å
182	K	92.8	Very high	95.1	Very high	104 Å²	104	68.3 Å²	68.3	45%	0.452	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.4	-174	-67.6	-175.7	172.5	-179.3	0	113.1	N184 E210	K182-N184 PolarHBondContact O-N 2.89Å; K182-N184 VanDerWaalsContact O-N 3.14Å; K182-N184 PolarHBondContact O-ND2 3.4Å; K182-E210 WeakPolarHBondContact CD-OE2 3.15Å; K182-E210 IonicContact NZ-OE1 3.86Å; K182-E210 PolarHBondContact NZ-OE1 2.77Å; K182-E210 IonicContact NZ-OE2 3.8Å; K182-E210 PolarHBondContact NZ-OE2 3.11Å
183	G	93.2	Very high	95.2	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-9.6	-178.6	0	0	0	0	0	115.3	Y181	Y181-G183 PolarHBondContact O-N 2.8Å
184	N	95.4	Very high	95.2	Very high	82 Å²	82	64.6 Å²	64.6	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137	-177.7	-68	-57	0	0	0	111	T168 T180 Y181 K182 W186	T168-N184 HydrophobicContact CG2-CB 4.45Å; T168-N184 WeakPolarHBondContact OG1-CB 3.17Å; T180-N184 WeakPolarHBondContact CA-O 3.44Å; Y181-N184 PolarHBondContact N-O 3.32Å; Y181-N184 WeakPolarHBondContact O-CB 3.15Å; Y181-N184 PolarHBondContact O-N 2.81Å; K182-N184 PolarHBondContact O-N 2.89Å; K182-N184 VanDerWaalsContact O-N 3.14Å; K182-N184 PolarHBondContact O-ND2 3.4Å; N184-W186 PolarHBondContact O-NE1 3.03Å
185	P	97.3	Very high	95.3	Very high	24 Å²	24	66.5 Å²	66.5	16%	0.156	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.2	-177.7	36	-35.9	0	0	0	112	Q165 R166 C167 T168 I174 V179	Q165-P185 HydrophobicContact CB-CB 4.22Å; Q165-P185 HydrophobicContact CB-CG 4.12Å; R166-P185 WeakPolarHBondContact O-CG 3.41Å; C167-P185 WeakPolarHBondContact CA-O 3.41Å; T168-P185 PolarHBondContact N-O 2.87Å; T168-P185 PolarHBondContact OG1-O 2.92Å; I174-P185 HydrophobicContact CD1-CB 3.69Å; I174-P185 HydrophobicContact CD1-CG 4.39Å; V179-P185 CarbonylContact O-C 3.55Å
186	W	97.5	Very high	95.6	Very high	41 Å²	41	60.7 Å²	60.7	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.3	-178	-55	73.7	0	0	0	111.2	T168 K169 G178 V179 N184 F191	T168-W186 HydrophobicContact CG2-CH2 3.78Å; T168-W186 HydrophobicContact CG2-CZ2 3.5Å; K169-W186 HydrophobicContact CB-CE3 3.85Å; K169-W186 HydrophobicContact CB-CZ3 3.66Å; K169-W186 HydrophobicContact CG-CZ3 4.43Å; G178-W186 CarbonylContact C-O 3.56Å; G178-W186 WeakPolarHBondContact CA-O 3.46Å; V179-W186 HydrophobicContact CG2-CB 3.98Å; V179-W186 PolarHBondContact N-O 2.93Å; V179-W186 PolarHBondContact O-N 3.4Å; N184-W186 PolarHBondContact O-NE1 3.03Å; W186-F191 HydrophobicContact CB-CB 4.03Å; W186-F191 HydrophobicContact CB-CD2 4.47Å; W186-F191 AromaticContact CD2-CD2 3.93Å; W186-F191 HydrophobicContact CD2-CD2 3.93Å; W186-F191 HydrophobicContact CE3-CD2 4.21Å; W186-F191 HydrophobicContact CG-CB 4.45Å; W186-F191 HydrophobicContact CG-CD2 4.02Å
187	H	97.9	Very high	95.9	Very high	34 Å²	34	53.6 Å²	53.6	16%	0.157	33%	0.328	C	S	.	.			trans	-64.4	146.7	157	-60.2	107.5	0	0	0	109.2	C167 C170 E172 V173 E189 C190 F191	C167-H187 WeakPolarHBondContact CB-ND1 3.27Å; C167-H187 PolarHBondContact SG-N 3.44Å; C167-H187 VanDerWaalsContact SG-N 3.38Å; C170-H187 VanDerWaalsContact SG-CE1 3.58Å; C170-H187 PolarHBondContact SG-ND1 2.98Å; C170-H187 VanDerWaalsContact SG-ND1 3.35Å; E172-H187 PolarHBondContact O-CE1 3.44Å; V173-H187 PolarHBondContact O-NE2 3.27Å; H187-E189 WeakPolarHBondContact CB-OE2 2.98Å; H187-E189 PolarHBondContact O-N 3.27Å; H187-C190 HydrophobicContact CB-CB 3.93Å; H187-C190 PolarHBondContact O-N 3.23Å; H187-F191 PolarHBondContact O-N 2.87Å
188	K	96.8	Very high	96.4	Very high	94 Å²	94	56.2 Å²	56.2	41%	0.409	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.2	175.7	-76.1	173.1	169.8	171.8	0	111.3	G177 V179 C190 F191 A201	G177-K188 WeakPolarHBondContact O-CD 3.46Å; G177-K188 WeakPolarHBondContact O-CE 3.32Å; G177-K188 VanDerWaalsContact O-CG 3.32Å; G177-K188 WeakPolarHBondContact O-CG 3.12Å; V179-K188 HydrophobicContact CG1-CG 3.87Å; K188-C190 VanDerWaalsContact C-N 3.3Å; K188-F191 PolarHBondContact O-N 2.66Å; K188-A201 HydrophobicContact CB-CB 3.99Å; K188-A201 HydrophobicContact CG-CB 3.79Å
189	E	96.2	Very high	96.5	Very high	111 Å²	111	59.4 Å²	59.4	52%	0.519	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.3	179.8	-53.9	69.9	-152.8	0	0	112.3	H187 T192	H187-E189 WeakPolarHBondContact CB-OE2 2.98Å; H187-E189 PolarHBondContact O-N 3.27Å; E189-T192 WeakPolarHBondContact O-CG2 3.18Å
190	C	97.3	Very high	96.6	Very high	21 Å²	21	57.8 Å²	57.8	14%	0.142	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-26.7	175.3	-77	0	0	0	0	112.4	C167 K169 H187 K188 T192	C167-C190 WeakPolarHBondContact SG-CB 3.18Å; K169-C190 HydrophobicContact CB-CB 3.8Å; K169-C190 HydrophobicContact CD-CB 3.84Å; K169-C190 WeakPolarHBondContact CD-O 3.4Å; K169-C190 HydrophobicContact CG-CB 4.39Å; H187-C190 HydrophobicContact CB-CB 3.93Å; H187-C190 PolarHBondContact O-N 3.23Å; K188-C190 VanDerWaalsContact C-N 3.3Å; C190-T192 VanDerWaalsContact C-N 3.29Å; C190-T192 PolarHBondContact O-N 2.88Å; C190-T192 PolarHBondContact O-OG1 3.14Å
191	F	97.4	Very high	96.6	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.026	30%	0.304	C	S	.	.	S	Bend	trans	-78.1	80.4	178.3	-166.6	-117.3	0	0	0	110.7	V179 Y181 W186 H187 K188 L200 F205 P212	V179-F191 HydrophobicContact CG2-CB 3.84Å; V179-F191 HydrophobicContact CG2-CD1 4.15Å; V179-F191 HydrophobicContact CG2-CG 4.02Å; Y181-F191 AromaticContact CD1-CE2 3.6Å; Y181-F191 HydrophobicContact CD1-CE2 3.6Å; Y181-F191 HydrophobicContact CD1-CZ 4.03Å; Y181-F191 HydrophobicContact CD2-CE2 4.35Å; Y181-F191 AromaticContact CD2-CZ 3.97Å; Y181-F191 HydrophobicContact CD2-CZ 3.97Å; Y181-F191 HydrophobicContact CE1-CE2 4.34Å; Y181-F191 AromaticContact CG-CE2 3.6Å; Y181-F191 HydrophobicContact CG-CE2 3.6Å; Y181-F191 AromaticContact CG-CZ 3.68Å; Y181-F191 HydrophobicContact CG-CZ 3.68Å; W186-F191 HydrophobicContact CB-CB 4.03Å; W186-F191 HydrophobicContact CB-CD2 4.47Å; W186-F191 AromaticContact CD2-CD2 3.93Å; W186-F191 HydrophobicContact CD2-CD2 3.93Å; W186-F191 HydrophobicContact CE3-CD2 4.21Å; W186-F191 HydrophobicContact CG-CB 4.45Å; W186-F191 HydrophobicContact CG-CD2 4.02Å; H187-F191 PolarHBondContact O-N 2.87Å; K188-F191 PolarHBondContact O-N 2.66Å; F191-L200 HydrophobicContact CD1-CB 3.64Å; F191-L200 HydrophobicContact CE1-CB 3.66Å; F191-L200 HydrophobicContact CE1-CD1 4.36Å; F191-L200 WeakPolarHBondContact O-CB 3.38Å; F191-L200 PolarHBondContact O-N 2.79Å; F191-F205 HydrophobicContact CE1-CD1 4.14Å; F191-F205 AromaticContact CE1-CE1 3.69Å; F191-F205 HydrophobicContact CE1-CE1 3.69Å; F191-F205 HydrophobicContact CE1-CE2 4.1Å; F191-F205 AromaticContact CE1-CZ 3.68Å; F191-F205 HydrophobicContact CE1-CZ 3.68Å; F191-F205 HydrophobicContact CZ-CD2 4.2Å; F191-F205 AromaticContact CZ-CE1 3.97Å; F191-F205 HydrophobicContact CZ-CE1 3.97Å; F191-F205 AromaticContact CZ-CE2 3.57Å; F191-F205 HydrophobicContact CZ-CE2 3.57Å; F191-F205 AromaticContact CZ-CZ 3.44Å; F191-F205 HydrophobicContact CZ-CZ 3.44Å; F191-F205 VanDerWaalsContact CZ-CZ 3.44Å; F191-P212 HydrophobicContact CE2-CB 4.18Å; F191-P212 HydrophobicContact CE2-CG 4.17Å; F191-P212 HydrophobicContact CZ-CB 4.25Å
192	T	97.9	Very high	96.6	Very high	16 Å²	16	57.1 Å²	57.1	10%	0.098	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-120.2	151.4	-169.1	56.1	0	0	0	0	112.3	K169 E189 C190 T194 S197 K198 Q199	K169-T192 PolarHBondContact NZ-OG1 2.94Å; E189-T192 WeakPolarHBondContact O-CG2 3.18Å; C190-T192 VanDerWaalsContact C-N 3.29Å; C190-T192 PolarHBondContact O-N 2.88Å; C190-T192 PolarHBondContact O-OG1 3.14Å; T192-T194 PolarHBondContact O-N 2.82Å; T192-S197 WeakPolarHBondContact CB-O 3.22Å; T192-S197 VanDerWaalsContact CG2-O 3.27Å; T192-S197 WeakPolarHBondContact CG2-O 3.47Å; T192-K198 CarbonylContact C-O 3.57Å; T192-K198 VanDerWaalsContact CA-O 3.22Å; T192-K198 WeakPolarHBondContact CA-O 3.42Å; T192-Q199 HydrophobicContact CG2-CG 4.36Å
193	C	97.8	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.34	C	S	.	.			trans	-56.7	129.5	169.6	178.4	0	0	0	0	110.6	S195 C196 S197 K198 L200 P212 C214	C193-S195 PolarHBondContact O-N 2.86Å; C193-S195 PolarHBondContact SG-N 3.41Å; C193-S195 VanDerWaalsContact SG-N 3.41Å; C193-C196 VanDerWaalsContact CB-SG 3.57Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C193-S197 WeakPolarHBondContact O-CA 3.42Å; C193-S197 PolarHBondContact O-N 3.22Å; C193-K198 PolarHBondContact N-O 2.85Å; C193-L200 HydrophobicContact CB-CD1 4.46Å; C193-L200 HydrophobicContact CB-CD2 4.03Å; C193-L200 HydrophobicContact CB-CG 4.41Å; C193-P212 CarbonylContact C-O 3.57Å; C193-P212 WeakPolarHBondContact CA-O 3.21Å; C193-C214 HydrophobicContact CB-CB 4.2Å; C193-C214 PolarHBondContact SG-N 3.26Å
194	T	96.5	Very high	96.6	Very high	63 Å²	63	59.9 Å²	59.9	39%	0.387	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.3	178.9	-55.8	0	0	0	0	112.8	T192 Q211 P212 Y213	T192-T194 PolarHBondContact O-N 2.82Å; T194-Q211 HydrophobicContact CG2-CB 4.27Å; T194-Q211 HydrophobicContact CG2-CG 4.44Å; T194-Q211 PolarHBondContact OG1-OE1 3.02Å; T194-P212 PolarHBondContact N-O 3.39Å; T194-P212 PolarHBondContact OG1-O 3.45Å; T194-P212 VanDerWaalsContact OG1-O 3.11Å; T194-Y213 HydrophobicContact CG2-CE1 4.36Å
195	S	96.7	Very high	96.6	Very high	64 Å²	64	58.8 Å²	58.8	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-52.3	-179.5	177.8	0	0	0	0	113.5	C193	C193-S195 PolarHBondContact O-N 2.86Å; C193-S195 PolarHBondContact SG-N 3.41Å; C193-S195 VanDerWaalsContact SG-N 3.41Å
196	C	97.5	Very high	96.3	Very high	63 Å²	63	59.8 Å²	59.8	43%	0.426	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	1.3	-173.3	67.4	0	0	0	0	114.9	C193 K198	C193-C196 VanDerWaalsContact CB-SG 3.57Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C196-K198 PolarHBondContact O-N 3.11Å; C196-K198 VanDerWaalsContact SG-CB 3.51Å
197	S	97	Very high	96.1	Very high	85 Å²	85	59.6 Å²	59.6	59%	0.594	34%	0.341	S	S	*	.			trans	59.3	9.9	-176.4	-60.2	0	0	0	0	116.2	T192 C193 Q199	T192-S197 WeakPolarHBondContact CB-O 3.22Å; T192-S197 VanDerWaalsContact CG2-O 3.27Å; T192-S197 WeakPolarHBondContact CG2-O 3.47Å; C193-S197 WeakPolarHBondContact O-CA 3.42Å; C193-S197 PolarHBondContact O-N 3.22Å; S197-Q199 PolarHBondContact O-N 3.18Å
198	K	97.4	Very high	95.9	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	35%	0.348	S	S	.	.			trans	-62.1	133	174.8	-168.8	179.2	-158.6	172.2	0	110.8	T192 C193 C196 L200 L203	T192-K198 CarbonylContact C-O 3.57Å; T192-K198 VanDerWaalsContact CA-O 3.22Å; T192-K198 WeakPolarHBondContact CA-O 3.42Å; C193-K198 PolarHBondContact N-O 2.85Å; C196-K198 PolarHBondContact O-N 3.11Å; C196-K198 VanDerWaalsContact SG-CB 3.51Å; K198-L200 PolarHBondContact O-N 3.35Å; K198-L203 HydrophobicContact CD-CD1 4.23Å; K198-L203 HydrophobicContact CG-CD1 4.46Å
199	Q	97.4	Very high	95.6	Very high	100 Å²	100	63.4 Å²	63.4	47%	0.467	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-60.7	129	173.9	-63.7	-178.9	-1.3	0	0	110.4	T192 S197 L203	T192-Q199 HydrophobicContact CG2-CG 4.36Å; S197-Q199 PolarHBondContact O-N 3.18Å; Q199-L203 WeakPolarHBondContact O-CD1 3.2Å
200	L	97.4	Very high	95.3	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	37%	0.367	C	S	.	.			trans	-100	-9.8	-175	-61.8	178.6	0	0	0	113	F191 C193 K198 G202 L203 F205 P212 C214	F191-L200 HydrophobicContact CD1-CB 3.64Å; F191-L200 HydrophobicContact CE1-CB 3.66Å; F191-L200 HydrophobicContact CE1-CD1 4.36Å; F191-L200 WeakPolarHBondContact O-CB 3.38Å; F191-L200 PolarHBondContact O-N 2.79Å; C193-L200 HydrophobicContact CB-CD1 4.46Å; C193-L200 HydrophobicContact CB-CD2 4.03Å; C193-L200 HydrophobicContact CB-CG 4.41Å; K198-L200 PolarHBondContact O-N 3.35Å; L200-G202 PolarHBondContact O-N 3.39Å; L200-G202 VanDerWaalsContact O-N 3.14Å; L200-L203 PolarHBondContact O-N 2.97Å; L200-F205 HydrophobicContact CB-CB 4.35Å; L200-F205 HydrophobicContact CB-CD1 4.33Å; L200-F205 HydrophobicContact CB-CG 4.34Å; L200-F205 HydrophobicContact CD1-CB 3.93Å; L200-F205 HydrophobicContact CD1-CD2 4.21Å; L200-F205 HydrophobicContact CD1-CG 4.09Å; L200-F205 HydrophobicContact CD2-CB 3.92Å; L200-F205 HydrophobicContact CG-CB 4.29Å; L200-P212 HydrophobicContact CD1-CB 3.64Å; L200-P212 HydrophobicContact CD1-CG 4.21Å; L200-C214 HydrophobicContact CD2-CB 3.67Å
201	A	96	Very high	95.1	Very high	31 Å²	31	67.6 Å²	67.6	26%	0.256	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	119.2	178.6	0	0	0	0	0	110.7	V179 K188 L203	V179-A201 HydrophobicContact CG1-CB 3.93Å; K188-A201 HydrophobicContact CB-CB 3.99Å; K188-A201 HydrophobicContact CG-CB 3.79Å; A201-L203 VanDerWaalsContact C-N 3.25Å; A201-L203 PolarHBondContact O-N 2.93Å
202	G	94.2	Very high	95	Very high	88 Å²	88	67.7 Å²	67.7	91%	0.907	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-0.4	-177	0	0	0	0	0	115.3	L200	L200-G202 PolarHBondContact O-N 3.39Å; L200-G202 VanDerWaalsContact O-N 3.14Å
203	L	94.4	Very high	94.9	Very high	83 Å²	83	68.4 Å²	68.4	44%	0.435	38%	0.383	S	S	.	.	S	Bend	trans	-100.2	159.4	175.7	-58.4	-172.4	0	0	0	111.5	K198 Q199 L200 A201 F205	K198-L203 HydrophobicContact CD-CD1 4.23Å; K198-L203 HydrophobicContact CG-CD1 4.46Å; Q199-L203 WeakPolarHBondContact O-CD1 3.2Å; L200-L203 PolarHBondContact O-N 2.97Å; A201-L203 VanDerWaalsContact C-N 3.25Å; A201-L203 PolarHBondContact O-N 2.93Å; L203-F205 WeakPolarHBondContact O-CD1 3.16Å
204	K	92.5	Very high	94.8	Very high	144 Å²	144	68.7 Å²	68.7	63%	0.626	39%	0.385	S	S	*	.			trans	-70	129.8	165.9	-68.8	-178.5	177.8	-179.3	0	109.5	F236	K204-F236 HydrophobicContact CB-CD1 4.04Å; K204-F236 HydrophobicContact CB-CE1 4.36Å; K204-F236 HydrophobicContact CD-CD1 4.46Å; K204-F236 PolarHBondContact NZ-O 3.4Å
205	F	94.6	Very high	94.7	Very high	59 Å²	59	66.7 Å²	66.7	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.1	177.4	75.9	-86.8	0	0	0	109.1	Y181 F191 L200 L203 P212 Y213 F236	Y181-F205 AromaticContact CD2-CE2 3.95Å; Y181-F205 HydrophobicContact CD2-CE2 3.95Å; Y181-F205 AromaticContact CD2-CZ 3.66Å; Y181-F205 HydrophobicContact CD2-CZ 3.66Å; Y181-F205 AromaticContact CE2-CE2 3.51Å; Y181-F205 HydrophobicContact CE2-CE2 3.51Å; Y181-F205 AromaticContact CE2-CZ 3.64Å; Y181-F205 HydrophobicContact CE2-CZ 3.64Å; Y181-F205 AromaticContact CZ-CE2 3.99Å; F191-F205 HydrophobicContact CE1-CD1 4.14Å; F191-F205 AromaticContact CE1-CE1 3.69Å; F191-F205 HydrophobicContact CE1-CE1 3.69Å; F191-F205 HydrophobicContact CE1-CE2 4.1Å; F191-F205 AromaticContact CE1-CZ 3.68Å; F191-F205 HydrophobicContact CE1-CZ 3.68Å; F191-F205 HydrophobicContact CZ-CD2 4.2Å; F191-F205 AromaticContact CZ-CE1 3.97Å; F191-F205 HydrophobicContact CZ-CE1 3.97Å; F191-F205 AromaticContact CZ-CE2 3.57Å; F191-F205 HydrophobicContact CZ-CE2 3.57Å; F191-F205 AromaticContact CZ-CZ 3.44Å; F191-F205 HydrophobicContact CZ-CZ 3.44Å; F191-F205 VanDerWaalsContact CZ-CZ 3.44Å; L200-F205 HydrophobicContact CB-CB 4.35Å; L200-F205 HydrophobicContact CB-CD1 4.33Å; L200-F205 HydrophobicContact CB-CG 4.34Å; L200-F205 HydrophobicContact CD1-CB 3.93Å; L200-F205 HydrophobicContact CD1-CD2 4.21Å; L200-F205 HydrophobicContact CD1-CG 4.09Å; L200-F205 HydrophobicContact CD2-CB 3.92Å; L200-F205 HydrophobicContact CG-CB 4.29Å; L203-F205 WeakPolarHBondContact O-CD1 3.16Å; F205-P212 HydrophobicContact CD2-CB 4.14Å; F205-P212 HydrophobicContact CE2-CB 4.38Å; F205-Y213 VanDerWaalsContact CA-O 3.31Å; F205-Y213 WeakPolarHBondContact CA-O 3.25Å; F205-Y213 VanDerWaalsContact CB-O 3.26Å; F205-Y213 WeakPolarHBondContact CB-O 3.39Å; F205-F236 WeakPolarHBondContact O-CE1 3.49Å
206	T	92.5	Very high	94.5	Very high	44 Å²	44	68.9 Å²	68.9	27%	0.27	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	171.4	169.7	-171.5	0	0	0	0	109.1	Y213 Y218 F236	T206-Y213 PolarHBondContact N-O 3.25Å; T206-Y213 PolarHBondContact O-N 3.37Å; T206-Y218 HydrophobicContact CG2-CD1 3.73Å; T206-Y218 HydrophobicContact CG2-CD2 3.1Å; T206-Y218 HydrophobicContact CG2-CE1 4.09Å; T206-Y218 HydrophobicContact CG2-CE2 3.5Å; T206-Y218 VanDerWaalsContact CG2-CE2 3.5Å; T206-Y218 HydrophobicContact CG2-CG 3.22Å; T206-F236 HydrophobicContact CG2-CE2 4.13Å; T206-F236 HydrophobicContact CG2-CZ 3.6Å
207	S	92.6	Very high	94.5	Very high	38 Å²	38	66.8 Å²	66.8	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.6	176.8	55.9	0	0	0	0	111.8	Y181 Q211	Y181-S207 WeakPolarHBondContact OH-CB 3.27Å; Y181-S207 PolarHBondContact OH-OG 3.03Å; Y181-S207 VanDerWaalsContact OH-OG 3.11Å; S207-Q211 CarbonylContact C-O 3.53Å; S207-Q211 WeakPolarHBondContact CA-O 3.43Å
208	K	92.8	Very high	94.3	Very high	72 Å²	72	65.9 Å²	65.9	31%	0.313	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.1	167.9	-171.9	177.5	172.7	-177.8	0	108.1	E210 Q211 Y213 Y218 F222	K208-E210 VanDerWaalsContact C-N 3.27Å; K208-E210 PolarHBondContact O-N 3.28Å; K208-Q211 PolarHBondContact N-O 3.3Å; K208-Q211 WeakPolarHBondContact O-CB 3.21Å; K208-Q211 PolarHBondContact O-N 2.8Å; K208-Y213 HydrophobicContact CB-CD2 4.28Å; K208-Y213 HydrophobicContact CB-CE2 4.03Å; K208-Y218 HydrophobicContact CB-CE2 4.14Å; K208-F222 HydrophobicContact CB-CE2 4.38Å; K208-F222 HydrophobicContact CD-CB 4.31Å; K208-F222 HydrophobicContact CD-CD1 3.59Å; K208-F222 HydrophobicContact CD-CD2 3.78Å; K208-F222 HydrophobicContact CD-CE1 3.7Å; K208-F222 HydrophobicContact CD-CE2 3.9Å; K208-F222 HydrophobicContact CD-CG 3.61Å; K208-F222 HydrophobicContact CD-CZ 3.85Å
209	D	91.4	Very high	94.1	Very high	135 Å²	135	60.9 Å²	60.9	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	46.5	-179.3	-49	-39.9	0	0	0	112.4	Q211	D209-Q211 PolarHBondContact O-N 3.49Å
210	E	89.1	Confident	93.9	Very high	128 Å²	128	61.7 Å²	61.7	60%	0.598	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	2	-175.6	-61.1	-58.4	130.2	0	0	116.4	K182 K208	K182-E210 WeakPolarHBondContact CD-OE2 3.15Å; K182-E210 IonicContact NZ-OE1 3.86Å; K182-E210 PolarHBondContact NZ-OE1 2.77Å; K182-E210 IonicContact NZ-OE2 3.8Å; K182-E210 PolarHBondContact NZ-OE2 3.11Å; K208-E210 VanDerWaalsContact C-N 3.27Å; K208-E210 PolarHBondContact O-N 3.28Å
211	Q	93.1	Very high	93.7	Very high	92 Å²	92	66.1 Å²	66.1	43%	0.43	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.5	178.9	-66.7	-61.9	-33.7	0	0	111.6	T194 S207 K208 D209 Y213	T194-Q211 HydrophobicContact CG2-CB 4.27Å; T194-Q211 HydrophobicContact CG2-CG 4.44Å; T194-Q211 PolarHBondContact OG1-OE1 3.02Å; S207-Q211 CarbonylContact C-O 3.53Å; S207-Q211 WeakPolarHBondContact CA-O 3.43Å; K208-Q211 PolarHBondContact N-O 3.3Å; K208-Q211 WeakPolarHBondContact O-CB 3.21Å; K208-Q211 PolarHBondContact O-N 2.8Å; D209-Q211 PolarHBondContact O-N 3.49Å; Q211-Y213 HydrophobicContact CB-CE2 3.73Å; Q211-Y213 WeakPolarHBondContact O-CD2 3.1Å; Q211-Y213 VanDerWaalsContact O-CE2 3.27Å; Q211-Y213 WeakPolarHBondContact O-CE2 3.26Å
212	P	95.6	Very high	93.5	Very high	8 Å²	8	67.8 Å²	67.8	5%	0.052	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.8	-178.2	34.5	-36.1	0	0	0	112.4	F191 C193 T194 L200 F205	F191-P212 HydrophobicContact CE2-CB 4.18Å; F191-P212 HydrophobicContact CE2-CG 4.17Å; F191-P212 HydrophobicContact CZ-CB 4.25Å; C193-P212 CarbonylContact C-O 3.57Å; C193-P212 WeakPolarHBondContact CA-O 3.21Å; T194-P212 PolarHBondContact N-O 3.39Å; T194-P212 PolarHBondContact OG1-O 3.45Å; T194-P212 VanDerWaalsContact OG1-O 3.11Å; L200-P212 HydrophobicContact CD1-CB 3.64Å; L200-P212 HydrophobicContact CD1-CG 4.21Å; F205-P212 HydrophobicContact CD2-CB 4.14Å; F205-P212 HydrophobicContact CE2-CB 4.38Å
213	Y	96.4	Very high	93.3	Very high	31 Å²	31	64.5 Å²	64.5	12%	0.122	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.4	178.7	-64.5	-93.1	0	0	0	110.9	T194 F205 T206 K208 Q211 L221 F222	T194-Y213 HydrophobicContact CG2-CE1 4.36Å; F205-Y213 VanDerWaalsContact CA-O 3.31Å; F205-Y213 WeakPolarHBondContact CA-O 3.25Å; F205-Y213 VanDerWaalsContact CB-O 3.26Å; F205-Y213 WeakPolarHBondContact CB-O 3.39Å; T206-Y213 PolarHBondContact N-O 3.25Å; T206-Y213 PolarHBondContact O-N 3.37Å; K208-Y213 HydrophobicContact CB-CD2 4.28Å; K208-Y213 HydrophobicContact CB-CE2 4.03Å; Q211-Y213 HydrophobicContact CB-CE2 3.73Å; Q211-Y213 WeakPolarHBondContact O-CD2 3.1Å; Q211-Y213 VanDerWaalsContact O-CE2 3.27Å; Q211-Y213 WeakPolarHBondContact O-CE2 3.26Å; Y213-L221 HydrophobicContact CD1-CD1 4.26Å; Y213-L221 HydrophobicContact CE1-CD1 4.08Å; Y213-F222 AromaticContact CD1-CE2 3.91Å; Y213-F222 HydrophobicContact CD1-CE2 3.91Å; Y213-F222 AromaticContact CD2-CE2 4Å; Y213-F222 HydrophobicContact CD2-CE2 4Å; Y213-F222 AromaticContact CE1-CE2 3.74Å; Y213-F222 HydrophobicContact CE1-CE2 3.74Å; Y213-F222 AromaticContact CE1-CZ 3.98Å; Y213-F222 HydrophobicContact CE1-CZ 3.98Å; Y213-F222 AromaticContact CE2-CE2 3.84Å; Y213-F222 HydrophobicContact CE2-CE2 3.84Å; Y213-F222 HydrophobicContact CE2-CZ 4.22Å; Y213-F222 HydrophobicContact CG-CE2 4.05Å; Y213-F222 AromaticContact CZ-CE2 3.71Å; Y213-F222 AromaticContact CZ-CZ 3.78Å
214	C	96	Very high	93.1	Very high	7 Å²	7	66.3 Å²	66.3	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	159.5	167.9	71.4	0	0	0	0	110.1	C193 L200 D216 C217 Y218	C193-C214 HydrophobicContact CB-CB 4.2Å; C193-C214 PolarHBondContact SG-N 3.26Å; L200-C214 HydrophobicContact CD2-CB 3.67Å; C214-D216 VanDerWaalsContact C-N 3.25Å; C214-D216 PolarHBondContact O-N 2.95Å; C214-C217 PolarHBondContact O-N 3.4Å; C214-C217 PolarHBondContact SG-N 3.14Å; C214-C217 VanDerWaalsContact SG-N 3.37Å; C214-C217 PolarHBondContact SG-SG 2.96Å; C214-Y218 WeakPolarHBondContact O-CB 3.31Å; C214-Y218 PolarHBondContact O-N 2.93Å
215	A	93.3	Very high	93.2	Very high	20 Å²	20	65.2 Å²	65.2	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-53.6	-42.6	-178.9	0	0	0	0	0	113.1	G219 F236	A215-G219 PolarHBondContact O-N 2.98Å; A215-F236 VanDerWaalsContact CA-CE2 3.45Å; A215-F236 HydrophobicContact CB-CB 4.3Å; A215-F236 HydrophobicContact CB-CD1 4.12Å; A215-F236 HydrophobicContact CB-CD2 3.42Å; A215-F236 VanDerWaalsContact CB-CD2 3.42Å; A215-F236 HydrophobicContact CB-CE1 4.26Å; A215-F236 HydrophobicContact CB-CE2 3.61Å; A215-F236 HydrophobicContact CB-CG 3.69Å; A215-F236 HydrophobicContact CB-CZ 3.98Å
216	D	93.5	Very high	93.1	Very high	111 Å²	111	62.5 Å²	62.5	59%	0.594	31%	0.311	S	S	*	.	H	α-helix	trans	-65.9	-54.2	-178.1	-51.2	-37.3	0	0	0	111.5	C214 Y218 G219 E220	C214-D216 VanDerWaalsContact C-N 3.25Å; C214-D216 PolarHBondContact O-N 2.95Å; D216-Y218 VanDerWaalsContact C-N 3.31Å; D216-Y218 PolarHBondContact O-N 3.5Å; D216-G219 WeakPolarHBondContact O-CA 3.48Å; D216-G219 PolarHBondContact O-N 3.49Å; D216-G219 VanDerWaalsContact O-N 3.11Å; D216-E220 PolarHBondContact O-N 3.17Å
217	C	96.2	Very high	93.2	Very high	18 Å²	18	63.4 Å²	63.4	12%	0.122	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-38.2	179.7	-69.6	0	0	0	0	111.9	C214 G219 E220 L221	C214-C217 PolarHBondContact O-N 3.4Å; C214-C217 PolarHBondContact SG-N 3.14Å; C214-C217 VanDerWaalsContact SG-N 3.37Å; C214-C217 PolarHBondContact SG-SG 2.96Å; C217-G219 VanDerWaalsContact C-N 3.32Å; C217-E220 PolarHBondContact O-N 3.11Å; C217-L221 VanDerWaalsContact O-CB 3.25Å; C217-L221 WeakPolarHBondContact O-CB 3.49Å; C217-L221 WeakPolarHBondContact O-CG 3.46Å; C217-L221 PolarHBondContact O-N 2.97Å
218	Y	94.3	Very high	93.2	Very high	67 Å²	67	66.1 Å²	66.1	26%	0.263	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-42.7	174.9	-176.1	-89.2	0	0	0	111.4	T206 K208 C214 D216 F222 A223 F236	T206-Y218 HydrophobicContact CG2-CD1 3.73Å; T206-Y218 HydrophobicContact CG2-CD2 3.1Å; T206-Y218 HydrophobicContact CG2-CE1 4.09Å; T206-Y218 HydrophobicContact CG2-CE2 3.5Å; T206-Y218 VanDerWaalsContact CG2-CE2 3.5Å; T206-Y218 HydrophobicContact CG2-CG 3.22Å; K208-Y218 HydrophobicContact CB-CE2 4.14Å; C214-Y218 WeakPolarHBondContact O-CB 3.31Å; C214-Y218 PolarHBondContact O-N 2.93Å; D216-Y218 VanDerWaalsContact C-N 3.31Å; D216-Y218 PolarHBondContact O-N 3.5Å; Y218-F222 HydrophobicContact CD2-CB 4.43Å; Y218-F222 AromaticContact CD2-CD2 3.5Å; Y218-F222 HydrophobicContact CD2-CD2 3.5Å; Y218-F222 HydrophobicContact CD2-CE2 4.25Å; Y218-F222 HydrophobicContact CD2-CG 4.41Å; Y218-F222 HydrophobicContact CE2-CB 4.22Å; Y218-F222 AromaticContact CE2-CD2 3.86Å; Y218-F222 HydrophobicContact CE2-CD2 3.86Å; Y218-F222 HydrophobicContact CE2-CG 4.43Å; Y218-F222 HydrophobicContact CG-CD2 4.1Å; Y218-F222 WeakPolarHBondContact O-CB 3.28Å; Y218-F222 PolarHBondContact O-N 3.33Å; Y218-A223 PolarHBondContact O-N 2.94Å; Y218-F236 HydrophobicContact CD1-CE2 4.4Å
219	G	92.5	Very high	93.3	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-57.2	-53.2	175.5	0	0	0	0	0	112.2	A215 D216 C217 L221 A223 P232	A215-G219 PolarHBondContact O-N 2.98Å; D216-G219 WeakPolarHBondContact O-CA 3.48Å; D216-G219 PolarHBondContact O-N 3.49Å; D216-G219 VanDerWaalsContact O-N 3.11Å; C217-G219 VanDerWaalsContact C-N 3.32Å; G219-L221 PolarHBondContact O-N 3.37Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.46Å; G219-A223 PolarHBondContact O-N 2.94Å; G219-A223 VanDerWaalsContact O-N 3.17Å; G219-P232 WeakPolarHBondContact O-CB 3.29Å
220	E	92.6	Very high	93.4	Very high	117 Å²	117	63 Å²	63	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-38.4	-177.3	-68.8	-55.6	143.8	0	0	113.5	D216 C217 P232	D216-E220 PolarHBondContact O-N 3.17Å; C217-E220 PolarHBondContact O-N 3.11Å; E220-P232 VanDerWaalsContact OE1-CG 3.28Å; E220-P232 WeakPolarHBondContact OE1-CG 3.45Å
221	L	93.3	Very high	93.5	Very high	94 Å²	94	63.7 Å²	63.7	49%	0.492	32%	0.318	S	S	.	.	H	α-helix	trans	-85.4	-32.4	-174.7	-65.5	172.5	0	0	0	113.6	Y213 C217 G219	Y213-L221 HydrophobicContact CD1-CD1 4.26Å; Y213-L221 HydrophobicContact CE1-CD1 4.08Å; C217-L221 VanDerWaalsContact O-CB 3.25Å; C217-L221 WeakPolarHBondContact O-CB 3.49Å; C217-L221 WeakPolarHBondContact O-CG 3.46Å; C217-L221 PolarHBondContact O-N 2.97Å; G219-L221 PolarHBondContact O-N 3.37Å
222	F	92.3	Very high	93.4	Very high	65 Å²	65	60.4 Å²	60.4	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-134.5	-17.6	-163.8	-49.2	-56.2	0	0	0	115.4	K208 Y213 Y218	K208-F222 HydrophobicContact CB-CE2 4.38Å; K208-F222 HydrophobicContact CD-CB 4.31Å; K208-F222 HydrophobicContact CD-CD1 3.59Å; K208-F222 HydrophobicContact CD-CD2 3.78Å; K208-F222 HydrophobicContact CD-CE1 3.7Å; K208-F222 HydrophobicContact CD-CE2 3.9Å; K208-F222 HydrophobicContact CD-CG 3.61Å; K208-F222 HydrophobicContact CD-CZ 3.85Å; Y213-F222 AromaticContact CD1-CE2 3.91Å; Y213-F222 HydrophobicContact CD1-CE2 3.91Å; Y213-F222 AromaticContact CD2-CE2 4Å; Y213-F222 HydrophobicContact CD2-CE2 4Å; Y213-F222 AromaticContact CE1-CE2 3.74Å; Y213-F222 HydrophobicContact CE1-CE2 3.74Å; Y213-F222 AromaticContact CE1-CZ 3.98Å; Y213-F222 HydrophobicContact CE1-CZ 3.98Å; Y213-F222 AromaticContact CE2-CE2 3.84Å; Y213-F222 HydrophobicContact CE2-CE2 3.84Å; Y213-F222 HydrophobicContact CE2-CZ 4.22Å; Y213-F222 HydrophobicContact CG-CE2 4.05Å; Y213-F222 AromaticContact CZ-CE2 3.71Å; Y213-F222 AromaticContact CZ-CZ 3.78Å; Y218-F222 HydrophobicContact CD2-CB 4.43Å; Y218-F222 AromaticContact CD2-CD2 3.5Å; Y218-F222 HydrophobicContact CD2-CD2 3.5Å; Y218-F222 HydrophobicContact CD2-CE2 4.25Å; Y218-F222 HydrophobicContact CD2-CG 4.41Å; Y218-F222 HydrophobicContact CE2-CB 4.22Å; Y218-F222 AromaticContact CE2-CD2 3.86Å; Y218-F222 HydrophobicContact CE2-CD2 3.86Å; Y218-F222 HydrophobicContact CE2-CG 4.43Å; Y218-F222 HydrophobicContact CG-CD2 4.1Å; Y218-F222 WeakPolarHBondContact O-CB 3.28Å; Y218-F222 PolarHBondContact O-N 3.33Å
223	A	90.5	Very high	93.2	Very high	20 Å²	20	61 Å²	61	17%	0.165	31%	0.307	C	S	.	.	S	Bend	trans	-78.2	149.4	-179.5	0	0	0	0	0	111.4	Y218 G219 P232 T234	Y218-A223 PolarHBondContact O-N 2.94Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.46Å; G219-A223 PolarHBondContact O-N 2.94Å; G219-A223 VanDerWaalsContact O-N 3.17Å; A223-P232 HydrophobicContact CB-CB 4.1Å; A223-T234 HydrophobicContact CB-CG2 4.36Å
224	K	90.9	Very high	92.7	Very high	120 Å²	120	61.8 Å²	61.8	52%	0.522	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.2	143.7	169.5	-55	-161.5	179.7	-174.6	0	109.4	I233 H248	K224-I233 WeakPolarHBondContact O-CB 3.5Å; K224-I233 PolarHBondContact O-N 3.08Å; K224-H248 WeakPolarHBondContact CD-CD2 3.13Å; K224-H248 WeakPolarHBondContact CD-NE2 3.29Å; K224-H248 PolarHBondContact NZ-CE1 2.84Å; K224-H248 PolarHBondContact NZ-NE2 2.99Å
225	K	92.9	Very high	91.8	Very high	121 Å²	121	64.5 Å²	64.5	53%	0.526	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-92.6	141.7	179.1	-67.1	-174.6	177.1	-173.1	0	110.5	T227	K225-T227 PolarHBondContact O-N 3.27Å
226	C	94.1	Very high	90.9	Very high	2 Å²	2	66 Å²	66	1%	0.014	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-68	125.4	172.9	175.6	0	0	0	0	109.9	K228 C229 T230 K231 I233 H248 H250 C253	C226-K228 PolarHBondContact O-N 2.92Å; C226-C229 VanDerWaalsContact CB-SG 3.51Å; C226-T230 WeakPolarHBondContact O-CA 3.35Å; C226-T230 PolarHBondContact O-N 2.91Å; C226-K231 PolarHBondContact N-O 2.8Å; C226-I233 HydrophobicContact CB-CD1 4.21Å; C226-I233 HydrophobicContact CB-CG1 4.1Å; C226-H248 CarbonylContact C-O 3.6Å; C226-H248 WeakPolarHBondContact CA-O 3.11Å; C226-H250 VanDerWaalsContact CB-CE1 3.41Å; C226-H250 WeakPolarHBondContact CB-CE1 3.41Å; C226-H250 VanDerWaalsContact CB-ND1 3.31Å; C226-H250 WeakPolarHBondContact CB-ND1 3.31Å; C226-H250 PolarHBondContact SG-ND1 3.1Å; C226-H250 VanDerWaalsContact SG-ND1 3.43Å; C226-C253 WeakPolarHBondContact SG-CB 3.42Å
227	T	93.7	Very high	89.8	Confident	63 Å²	63	64 Å²	64	39%	0.387	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	-179.4	-45.4	0	0	0	0	111.7	K225 R247 H248 W249	K225-T227 PolarHBondContact O-N 3.27Å; T227-R247 HydrophobicContact CG2-CG 4.24Å; T227-R247 WeakPolarHBondContact OG1-CB 3.41Å; T227-H248 PolarHBondContact N-O 3.34Å; T227-H248 PolarHBondContact OG1-N 3.11Å; T227-H248 PolarHBondContact OG1-O 3.43Å; T227-W249 HydrophobicContact CG2-CZ2 4.26Å
228	K	93.3	Very high	88.7	Confident	96 Å²	96	66.3 Å²	66.3	42%	0.417	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-51.6	-179.6	-178.8	172.1	-177	165.3	0	113.5	C226 C253 L255 N260	C226-K228 PolarHBondContact O-N 2.92Å; K228-C253 HydrophobicContact CB-CB 4.03Å; K228-C253 HydrophobicContact CD-CB 4.18Å; K228-C253 WeakPolarHBondContact CD-O 3.35Å; K228-L255 VanDerWaalsContact NZ-CD1 3.34Å; K228-N260 PolarHBondContact NZ-OD1 3.1Å
229	C	93.8	Very high	87.6	Confident	39 Å²	39	65.9 Å²	65.9	26%	0.264	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.4	-169.8	75.9	0	0	0	0	114.1	C226 K231 H250	C226-C229 VanDerWaalsContact CB-SG 3.51Å; C229-K231 PolarHBondContact O-N 2.87Å; C229-H250 PolarHBondContact SG-CE1 3.04Å; C229-H250 PolarHBondContact SG-ND1 3.22Å
230	T	93.3	Very high	87.3	Confident	101 Å²	101	73.9 Å²	73.9	62%	0.62	42%	0.42	S	S	*	.			trans	59	-5.9	-178.1	71.5	0	0	0	0	116.5	C226	C226-T230 WeakPolarHBondContact O-CA 3.35Å; C226-T230 PolarHBondContact O-N 2.91Å
231	K	92	Very high	87.2	Confident	144 Å²	144	73.2 Å²	73.2	63%	0.626	42%	0.415	S	S	*	.			trans	-69.6	148.9	176.1	-62.4	179.6	-176.9	179.8	0	111.8	C226 C229	C226-K231 PolarHBondContact N-O 2.8Å; C229-K231 PolarHBondContact O-N 2.87Å
232	P	91.7	Very high	87.3	Confident	22 Å²	22	70.7 Å²	70.7	14%	0.143	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-54.5	140.6	173.4	-30.3	38.2	0	0	0	114.4	G219 E220 A223 T234 H250	G219-P232 WeakPolarHBondContact O-CB 3.29Å; E220-P232 VanDerWaalsContact OE1-CG 3.28Å; E220-P232 WeakPolarHBondContact OE1-CG 3.45Å; A223-P232 HydrophobicContact CB-CB 4.1Å; P232-T234 HydrophobicContact CB-CG2 3.86Å; P232-T234 PolarHBondContact O-N 2.95Å; P232-H250 PolarHBondContact O-NE2 3.44Å; P232-H250 VanDerWaalsContact O-NE2 3.08Å
233	I	90.8	Very high	87.3	Confident	20 Å²	20	70.5 Å²	70.5	10%	0.103	41%	0.409	C	S	.	.			trans	-93.2	92.7	169.8	-60.7	172.5	0	0	0	108	K224 C226 F241 H248	K224-I233 WeakPolarHBondContact O-CB 3.5Å; K224-I233 PolarHBondContact O-N 3.08Å; C226-I233 HydrophobicContact CB-CD1 4.21Å; C226-I233 HydrophobicContact CB-CG1 4.1Å; I233-F241 HydrophobicContact CD1-CB 4.28Å; I233-F241 HydrophobicContact CG2-CB 3.56Å; I233-F241 HydrophobicContact CG2-CD1 4.09Å; I233-F241 HydrophobicContact CG2-CD2 4.43Å; I233-F241 HydrophobicContact CG2-CG 3.8Å; I233-H248 HydrophobicContact CD1-CB 3.51Å
234	T	85	Confident	87.5	Confident	48 Å²	48	73 Å²	73	29%	0.294	42%	0.416	S	S	.	.			trans	-102.4	135.8	-177.7	68.4	0	0	0	0	112.4	A223 P232 F236	A223-T234 HydrophobicContact CB-CG2 4.36Å; P232-T234 HydrophobicContact CB-CG2 3.86Å; P232-T234 PolarHBondContact O-N 2.95Å; T234-F236 VanDerWaalsContact C-N 3.26Å; T234-F236 PolarHBondContact O-N 3.24Å
235	G	78.5	Confident	87.4	Confident	64 Å²	64	73.5 Å²	73.5	66%	0.66	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-73.8	-4.1	179.5	0	0	0	0	0	116	G237 G238	G235-G237 PolarHBondContact O-N 3.26Å; G235-G238 PolarHBondContact O-N 3.47Å; G235-G238 VanDerWaalsContact O-N 3.1Å
236	F	74.2	Confident	87.3	Confident	53 Å²	53	74 Å²	74	23%	0.232	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-67.5	-4.6	-170	-72.3	-75.4	0	0	0	116.2	K204 F205 T206 A215 Y218 T234	K204-F236 HydrophobicContact CB-CD1 4.04Å; K204-F236 HydrophobicContact CB-CE1 4.36Å; K204-F236 HydrophobicContact CD-CD1 4.46Å; K204-F236 PolarHBondContact NZ-O 3.4Å; F205-F236 WeakPolarHBondContact O-CE1 3.49Å; T206-F236 HydrophobicContact CG2-CE2 4.13Å; T206-F236 HydrophobicContact CG2-CZ 3.6Å; A215-F236 VanDerWaalsContact CA-CE2 3.45Å; A215-F236 HydrophobicContact CB-CB 4.3Å; A215-F236 HydrophobicContact CB-CD1 4.12Å; A215-F236 HydrophobicContact CB-CD2 3.42Å; A215-F236 VanDerWaalsContact CB-CD2 3.42Å; A215-F236 HydrophobicContact CB-CE1 4.26Å; A215-F236 HydrophobicContact CB-CE2 3.61Å; A215-F236 HydrophobicContact CB-CG 3.69Å; A215-F236 HydrophobicContact CB-CZ 3.98Å; Y218-F236 HydrophobicContact CD1-CE2 4.4Å; T234-F236 VanDerWaalsContact C-N 3.26Å; T234-F236 PolarHBondContact O-N 3.24Å
237	G	70.8	Confident	87.3	Confident	69 Å²	69	75.4 Å²	75.4	71%	0.711	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-125.3	13.1	174.6	0	0	0	0	0	114.6	G235 C239	G235-G237 PolarHBondContact O-N 3.26Å; G237-C239 PolarHBondContact O-N 3.39Å
238	G	73	Confident	87.4	Confident	66 Å²	66	73.1 Å²	73.1	68%	0.68	42%	0.418	S	S	*	.			trans	66.4	19	-174.8	0	0	0	0	0	113.7	G235 K240	G235-G238 PolarHBondContact O-N 3.47Å; G235-G238 VanDerWaalsContact O-N 3.1Å; G238-K240 PolarHBondContact O-N 3.26Å; G238-K240 VanDerWaalsContact O-N 3.11Å
239	C	71.6	Confident	87.4	Confident	57 Å²	57	69 Å²	69	39%	0.385	40%	0.4	S	S	.	.			trans	-61.2	115.6	179	-171	0	0	0	0	109.1	G237	G237-C239 PolarHBondContact O-N 3.39Å
240	K	84.5	Confident	87.4	Confident	170 Å²	170	68 Å²	68	74%	0.739	39%	0.392	S	S	*	.			trans	-70	147.1	168.2	-65.8	-178.2	-178.6	179.3	0	108.5	G238 S251	G238-K240 PolarHBondContact O-N 3.26Å; G238-K240 VanDerWaalsContact O-N 3.11Å; K240-S251 WeakPolarHBondContact CB-OG 3.07Å; K240-S251 PolarHBondContact O-N 3.01Å; K240-S251 PolarHBondContact O-OG 2.93Å
241	F	92.1	Very high	87.5	Confident	104 Å²	104	64.7 Å²	64.7	46%	0.456	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151	176.6	67.8	-78.8	0	0	0	109.7	I233 S243 W249	I233-F241 HydrophobicContact CD1-CB 4.28Å; I233-F241 HydrophobicContact CG2-CB 3.56Å; I233-F241 HydrophobicContact CG2-CD1 4.09Å; I233-F241 HydrophobicContact CG2-CD2 4.43Å; I233-F241 HydrophobicContact CG2-CG 3.8Å; F241-S243 VanDerWaalsContact CD2-OG 3.3Å; F241-S243 WeakPolarHBondContact CD2-OG 3.07Å; F241-S243 WeakPolarHBondContact CE2-OG 3.3Å; F241-W249 CarbonylContact C-O 3.53Å; F241-W249 VanDerWaalsContact CA-O 3.23Å; F241-W249 WeakPolarHBondContact CA-O 3.31Å; F241-W249 VanDerWaalsContact CB-O 3.31Å; F241-W249 WeakPolarHBondContact CB-O 3.38Å
242	I	93.9	Very high	87.6	Confident	41 Å²	41	64.8 Å²	64.8	21%	0.21	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.7	174.2	-53.1	-55.3	0	0	0	107.3	H248 W249 F254 V264	I242-H248 CarbonylContact O-C 3.53Å; I242-H248 WeakPolarHBondContact O-CA 3.39Å; I242-W249 PolarHBondContact N-O 2.81Å; I242-W249 PolarHBondContact O-N 3.29Å; I242-F254 HydrophobicContact CB-CB 4.32Å; I242-F254 HydrophobicContact CB-CD1 4.31Å; I242-F254 HydrophobicContact CB-CD2 4.07Å; I242-F254 HydrophobicContact CB-CE2 4.5Å; I242-F254 HydrophobicContact CB-CG 3.98Å; I242-F254 HydrophobicContact CG1-CB 3.94Å; I242-F254 HydrophobicContact CG1-CD1 3.96Å; I242-F254 HydrophobicContact CG1-CD2 4.48Å; I242-F254 HydrophobicContact CG1-CG 3.88Å; I242-F254 HydrophobicContact CG2-CD1 4.01Å; I242-F254 HydrophobicContact CG2-CD2 3.88Å; I242-F254 HydrophobicContact CG2-CE1 3.96Å; I242-F254 HydrophobicContact CG2-CE2 3.81Å; I242-F254 HydrophobicContact CG2-CG 3.99Å; I242-F254 HydrophobicContact CG2-CZ 3.87Å; I242-V264 HydrophobicContact CD1-CG1 4.31Å; I242-V264 HydrophobicContact CD1-CG2 3.99Å; I242-V264 HydrophobicContact CG1-CG2 3.91Å
243	S	93.6	Very high	87.7	Confident	61 Å²	61	64.3 Å²	64.3	43%	0.427	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.3	172.9	-56.6	0	0	0	0	108.4	F241 R247 H248	F241-S243 VanDerWaalsContact CD2-OG 3.3Å; F241-S243 WeakPolarHBondContact CD2-OG 3.07Å; F241-S243 WeakPolarHBondContact CE2-OG 3.3Å; S243-R247 WeakPolarHBondContact CA-O 3.48Å; S243-H248 WeakPolarHBondContact CB-ND1 3.23Å; S243-H248 PolarHBondContact OG-CE1 2.83Å; S243-H248 PolarHBondContact OG-ND1 2.76Å
244	F	92.9	Very high	88	Confident	72 Å²	72	63.6 Å²	63.6	32%	0.316	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.3	171.4	-179.5	-101.8	0	0	0	107.2	D246 R247 W249 F268 T270	F244-D246 PolarHBondContact O-N 2.84Å; F244-R247 PolarHBondContact N-O 3.04Å; F244-R247 PolarHBondContact O-N 3.21Å; F244-W249 HydrophobicContact CB-CH2 4.43Å; F244-W249 HydrophobicContact CB-CZ3 3.95Å; F244-F268 HydrophobicContact CB-CZ 4.09Å; F244-F268 AromaticContact CD1-CE2 3.95Å; F244-F268 HydrophobicContact CD1-CE2 3.95Å; F244-F268 HydrophobicContact CD1-CZ 4.11Å; F244-F268 HydrophobicContact CD2-CE2 4.25Å; F244-F268 AromaticContact CD2-CZ 3.62Å; F244-F268 HydrophobicContact CD2-CZ 3.62Å; F244-F268 HydrophobicContact CE1-CE2 4.17Å; F244-F268 HydrophobicContact CE1-CZ 4.49Å; F244-F268 HydrophobicContact CE2-CE2 4.44Å; F244-F268 HydrophobicContact CE2-CZ 4.03Å; F244-F268 AromaticContact CG-CE2 3.98Å; F244-F268 HydrophobicContact CG-CE2 3.98Å; F244-F268 AromaticContact CG-CZ 3.65Å; F244-F268 HydrophobicContact CG-CZ 3.65Å; F244-F268 HydrophobicContact CZ-CE2 4.4Å; F244-F268 HydrophobicContact CZ-CZ 4.44Å; F244-T270 HydrophobicContact CD1-CG2 4.14Å; F244-T270 HydrophobicContact CE1-CG2 3.63Å; F244-T270 HydrophobicContact CZ-CG2 4.41Å
245	E	90.7	Very high	88.5	Confident	131 Å²	131	62.7 Å²	62.7	61%	0.612	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-127.9	-169	-58.6	164.9	148.3	0	0	110.7	R247	E245-R247 IonicContact OE2-CZ 3.2Å; E245-R247 IonicContact OE2-NE 3.95Å; E245-R247 IonicContact OE2-NH2 2.94Å; E245-R247 PolarHBondContact OE2-NH2 3.4Å
246	D	90.7	Very high	89.3	Confident	131 Å²	131	59.7 Å²	59.7	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.9	175.5	65.6	-25	0	0	0	113.3	F244 H248	F244-D246 PolarHBondContact O-N 2.84Å; D246-H248 PolarHBondContact O-CD2 2.87Å; D246-H248 PolarHBondContact O-NE2 2.88Å
247	R	93.3	Very high	90.2	Very high	32 Å²	32	59.5 Å²	59.5	12%	0.121	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.3	-178.3	-66.9	179.5	-66.5	-175.8	-7.4	111.7	T227 S243 F244 E245 W249	T227-R247 HydrophobicContact CG2-CG 4.24Å; T227-R247 WeakPolarHBondContact OG1-CB 3.41Å; S243-R247 WeakPolarHBondContact CA-O 3.48Å; F244-R247 PolarHBondContact N-O 3.04Å; F244-R247 PolarHBondContact O-N 3.21Å; E245-R247 IonicContact OE2-CZ 3.2Å; E245-R247 IonicContact OE2-NE 3.95Å; E245-R247 IonicContact OE2-NH2 2.94Å; E245-R247 PolarHBondContact OE2-NH2 3.4Å; R247-W249 HydrophobicContact CB-CE3 4.34Å; R247-W249 HydrophobicContact CB-CH2 3.16Å; R247-W249 HydrophobicContact CB-CZ2 3.73Å; R247-W249 HydrophobicContact CB-CZ3 3.49Å; R247-W249 VanDerWaalsContact CB-CZ3 3.49Å; R247-W249 HydrophobicContact CG-CH2 4.13Å; R247-W249 HydrophobicContact CG-CZ2 4.43Å; R247-W249 WeakPolarHBondContact O-CZ3 3.38Å
248	H	95	Very high	91.2	Very high	14 Å²	14	62.9 Å²	62.9	7%	0.065	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.3	-177.4	-56.4	-73.5	0	0	0	110.7	K224 C226 T227 I233 I242 S243 D246	K224-H248 WeakPolarHBondContact CD-CD2 3.13Å; K224-H248 WeakPolarHBondContact CD-NE2 3.29Å; K224-H248 PolarHBondContact NZ-CE1 2.84Å; K224-H248 PolarHBondContact NZ-NE2 2.99Å; C226-H248 CarbonylContact C-O 3.6Å; C226-H248 WeakPolarHBondContact CA-O 3.11Å; T227-H248 PolarHBondContact N-O 3.34Å; T227-H248 PolarHBondContact OG1-N 3.11Å; T227-H248 PolarHBondContact OG1-O 3.43Å; I233-H248 HydrophobicContact CD1-CB 3.51Å; I242-H248 CarbonylContact O-C 3.53Å; I242-H248 WeakPolarHBondContact O-CA 3.39Å; S243-H248 WeakPolarHBondContact CB-ND1 3.23Å; S243-H248 PolarHBondContact OG-CE1 2.83Å; S243-H248 PolarHBondContact OG-ND1 2.76Å; D246-H248 PolarHBondContact O-CD2 2.87Å; D246-H248 PolarHBondContact O-NE2 2.88Å
249	W	94.9	Very high	92.3	Very high	9 Å²	9	62.8 Å²	62.8	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.2	177.4	-61.2	-101.9	0	0	0	110.4	T227 F241 I242 F244 R247 C253 F254 I275	T227-W249 HydrophobicContact CG2-CZ2 4.26Å; F241-W249 CarbonylContact C-O 3.53Å; F241-W249 VanDerWaalsContact CA-O 3.23Å; F241-W249 WeakPolarHBondContact CA-O 3.31Å; F241-W249 VanDerWaalsContact CB-O 3.31Å; F241-W249 WeakPolarHBondContact CB-O 3.38Å; I242-W249 PolarHBondContact N-O 2.81Å; I242-W249 PolarHBondContact O-N 3.29Å; F244-W249 HydrophobicContact CB-CH2 4.43Å; F244-W249 HydrophobicContact CB-CZ3 3.95Å; R247-W249 HydrophobicContact CB-CE3 4.34Å; R247-W249 HydrophobicContact CB-CH2 3.16Å; R247-W249 HydrophobicContact CB-CZ2 3.73Å; R247-W249 HydrophobicContact CB-CZ3 3.49Å; R247-W249 VanDerWaalsContact CB-CZ3 3.49Å; R247-W249 HydrophobicContact CG-CH2 4.13Å; R247-W249 HydrophobicContact CG-CZ2 4.43Å; R247-W249 WeakPolarHBondContact O-CZ3 3.38Å; W249-C253 HydrophobicContact CB-CB 4.33Å; W249-F254 HydrophobicContact CB-CB 4.05Å; W249-F254 HydrophobicContact CB-CD2 4.07Å; W249-F254 AromaticContact CD2-CD2 3.71Å; W249-F254 HydrophobicContact CD2-CD2 3.71Å; W249-F254 HydrophobicContact CD2-CE2 4.14Å; W249-F254 AromaticContact CE3-CD2 3.83Å; W249-F254 HydrophobicContact CE3-CD2 3.83Å; W249-F254 AromaticContact CE3-CE2 3.94Å; W249-F254 HydrophobicContact CE3-CE2 3.94Å; W249-F254 AromaticContact CG-CD2 3.83Å; W249-F254 HydrophobicContact CG-CD2 3.83Å; W249-F254 HydrophobicContact CH2-CE2 4.48Å; W249-F254 HydrophobicContact CZ3-CD2 4.47Å; W249-F254 HydrophobicContact CZ3-CE2 4.13Å; W249-I275 HydrophobicContact CH2-CG2 4.22Å; W249-I275 HydrophobicContact CZ2-CD1 4.28Å; W249-I275 HydrophobicContact CZ2-CG2 3.92Å
250	H	94	Very high	93.4	Very high	19 Å²	19	64.7 Å²	64.7	9%	0.088	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	147.7	158	-53.1	105.7	0	0	0	109	C226 C229 P232 E252 C253 F254	C226-H250 VanDerWaalsContact CB-CE1 3.41Å; C226-H250 WeakPolarHBondContact CB-CE1 3.41Å; C226-H250 VanDerWaalsContact CB-ND1 3.31Å; C226-H250 WeakPolarHBondContact CB-ND1 3.31Å; C226-H250 PolarHBondContact SG-ND1 3.1Å; C226-H250 VanDerWaalsContact SG-ND1 3.43Å; C229-H250 PolarHBondContact SG-CE1 3.04Å; C229-H250 PolarHBondContact SG-ND1 3.22Å; P232-H250 PolarHBondContact O-NE2 3.44Å; P232-H250 VanDerWaalsContact O-NE2 3.08Å; H250-E252 HydrophobicContact CB-CG 3.96Å; H250-E252 PolarHBondContact O-N 3.13Å; H250-E252 VanDerWaalsContact O-N 3.13Å; H250-C253 HydrophobicContact CB-CB 3.95Å; H250-C253 CarbonylContact O-C 3.59Å; H250-C253 WeakPolarHBondContact O-CA 3.43Å; H250-C253 WeakPolarHBondContact O-CB 3.34Å; H250-C253 PolarHBondContact O-N 3.09Å; H250-F254 PolarHBondContact O-N 2.94Å; H250-F254 VanDerWaalsContact O-N 3.09Å
251	S	94.2	Very high	93.9	Very high	31 Å²	31	58.2 Å²	58.2	22%	0.217	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.4	178.7	-66.4	0	0	0	0	113.6	K240 C253 N262 V264	K240-S251 WeakPolarHBondContact CB-OG 3.07Å; K240-S251 PolarHBondContact O-N 3.01Å; K240-S251 PolarHBondContact O-OG 2.93Å; S251-C253 VanDerWaalsContact C-N 3.35Å; S251-N262 PolarHBondContact O-ND2 3.44Å; S251-V264 WeakPolarHBondContact O-CG2 3.49Å
252	E	93.5	Very high	94.1	Very high	146 Å²	146	56.2 Å²	56.2	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.9	173.7	62.3	-175.7	-159.8	0	0	113.9	H250 L255	H250-E252 HydrophobicContact CB-CG 3.96Å; H250-E252 PolarHBondContact O-N 3.13Å; H250-E252 VanDerWaalsContact O-N 3.13Å; E252-L255 WeakPolarHBondContact O-CD1 3.38Å; E252-L255 WeakPolarHBondContact O-CD2 3.49Å; E252-L255 VanDerWaalsContact O-CG 3.3Å; E252-L255 WeakPolarHBondContact O-CG 3.5Å
253	C	95	Very high	94.2	Very high	13 Å²	13	54.2 Å²	54.2	9%	0.088	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.1	178.9	-76.4	0	0	0	0	112.8	C226 K228 W249 H250 S251 L255	C226-C253 WeakPolarHBondContact SG-CB 3.42Å; K228-C253 HydrophobicContact CB-CB 4.03Å; K228-C253 HydrophobicContact CD-CB 4.18Å; K228-C253 WeakPolarHBondContact CD-O 3.35Å; W249-C253 HydrophobicContact CB-CB 4.33Å; H250-C253 HydrophobicContact CB-CB 3.95Å; H250-C253 CarbonylContact O-C 3.59Å; H250-C253 WeakPolarHBondContact O-CA 3.43Å; H250-C253 WeakPolarHBondContact O-CB 3.34Å; H250-C253 PolarHBondContact O-N 3.09Å; S251-C253 VanDerWaalsContact C-N 3.35Å; C253-L255 PolarHBondContact O-N 3.39Å
254	F	95.9	Very high	94.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	29%	0.291	C	S	.	.			trans	-80.8	71	178.7	-164.5	-116.9	0	0	0	110.4	I242 W249 H250 L263 V264 F268 I275	I242-F254 HydrophobicContact CB-CB 4.32Å; I242-F254 HydrophobicContact CB-CD1 4.31Å; I242-F254 HydrophobicContact CB-CD2 4.07Å; I242-F254 HydrophobicContact CB-CE2 4.5Å; I242-F254 HydrophobicContact CB-CG 3.98Å; I242-F254 HydrophobicContact CG1-CB 3.94Å; I242-F254 HydrophobicContact CG1-CD1 3.96Å; I242-F254 HydrophobicContact CG1-CD2 4.48Å; I242-F254 HydrophobicContact CG1-CG 3.88Å; I242-F254 HydrophobicContact CG2-CD1 4.01Å; I242-F254 HydrophobicContact CG2-CD2 3.88Å; I242-F254 HydrophobicContact CG2-CE1 3.96Å; I242-F254 HydrophobicContact CG2-CE2 3.81Å; I242-F254 HydrophobicContact CG2-CG 3.99Å; I242-F254 HydrophobicContact CG2-CZ 3.87Å; W249-F254 HydrophobicContact CB-CB 4.05Å; W249-F254 HydrophobicContact CB-CD2 4.07Å; W249-F254 AromaticContact CD2-CD2 3.71Å; W249-F254 HydrophobicContact CD2-CD2 3.71Å; W249-F254 HydrophobicContact CD2-CE2 4.14Å; W249-F254 AromaticContact CE3-CD2 3.83Å; W249-F254 HydrophobicContact CE3-CD2 3.83Å; W249-F254 AromaticContact CE3-CE2 3.94Å; W249-F254 HydrophobicContact CE3-CE2 3.94Å; W249-F254 AromaticContact CG-CD2 3.83Å; W249-F254 HydrophobicContact CG-CD2 3.83Å; W249-F254 HydrophobicContact CH2-CE2 4.48Å; W249-F254 HydrophobicContact CZ3-CD2 4.47Å; W249-F254 HydrophobicContact CZ3-CE2 4.13Å; H250-F254 PolarHBondContact O-N 2.94Å; H250-F254 VanDerWaalsContact O-N 3.09Å; F254-L263 HydrophobicContact CD1-CB 3.47Å; F254-L263 VanDerWaalsContact CD1-CB 3.47Å; F254-L263 HydrophobicContact CE1-CB 3.4Å; F254-L263 HydrophobicContact CG-CB 4.33Å; F254-L263 HydrophobicContact CZ-CB 4.23Å; F254-L263 WeakPolarHBondContact O-CB 3.3Å; F254-L263 PolarHBondContact O-N 3.35Å; F254-V264 HydrophobicContact CB-CG2 4.21Å; F254-V264 HydrophobicContact CD1-CG2 4.15Å; F254-F268 HydrophobicContact CE1-CD1 4.09Å; F254-F268 HydrophobicContact CE1-CE1 4.27Å; F254-F268 AromaticContact CZ-CD1 3.71Å; F254-F268 HydrophobicContact CZ-CD1 3.71Å; F254-F268 HydrophobicContact CZ-CD2 4.29Å; F254-F268 AromaticContact CZ-CE1 3.68Å; F254-F268 HydrophobicContact CZ-CE1 3.68Å; F254-F268 HydrophobicContact CZ-CE2 4.25Å; F254-F268 HydrophobicContact CZ-CG 4.04Å; F254-F268 AromaticContact CZ-CZ 3.95Å; F254-F268 HydrophobicContact CZ-CZ 3.95Å; F254-I275 HydrophobicContact CD2-CD1 3.4Å; F254-I275 VanDerWaalsContact CD2-CD1 3.4Å; F254-I275 HydrophobicContact CE2-CD1 3.37Å; F254-I275 HydrophobicContact CG-CD1 4.22Å; F254-I275 HydrophobicContact CZ-CD1 4.16Å
255	L	95.6	Very high	94.3	Very high	29 Å²	29	55 Å²	55	15%	0.152	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-116.9	147	-173.8	-49.2	-172.8	0	0	0	111.1	K228 E252 C253 G257 N260 S261 N262 I275	K228-L255 VanDerWaalsContact NZ-CD1 3.34Å; E252-L255 WeakPolarHBondContact O-CD1 3.38Å; E252-L255 WeakPolarHBondContact O-CD2 3.49Å; E252-L255 VanDerWaalsContact O-CG 3.3Å; E252-L255 WeakPolarHBondContact O-CG 3.5Å; C253-L255 PolarHBondContact O-N 3.39Å; L255-G257 PolarHBondContact O-N 2.87Å; L255-N260 WeakPolarHBondContact CD1-OD1 3.2Å; L255-S261 CarbonylContact C-O 3.57Å; L255-S261 VanDerWaalsContact CA-O 3.24Å; L255-S261 WeakPolarHBondContact CA-O 3.14Å; L255-N262 VanDerWaalsContact CD2-CA 3.43Å; L255-N262 HydrophobicContact CD2-CB 3.69Å; L255-I275 WeakPolarHBondContact O-CG1 3.24Å
256	C	95.7	Very high	94.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	32%	0.318	C	S	.	.			trans	-57	131	173.4	177.9	0	0	0	0	111.3	K258 C259 N260 S261 L263 C277	C256-K258 PolarHBondContact O-N 3.02Å; C256-C259 VanDerWaalsContact CB-SG 3.58Å; C256-N260 WeakPolarHBondContact O-CA 3.13Å; C256-N260 PolarHBondContact O-N 2.98Å; C256-S261 PolarHBondContact N-O 3.24Å; C256-L263 HydrophobicContact CB-CD1 4.31Å; C256-L263 HydrophobicContact CB-CD2 4.12Å; C256-L263 HydrophobicContact CB-CG 4.32Å; C256-C277 HydrophobicContact CB-CB 4.33Å; C256-C277 PolarHBondContact SG-N 2.93Å
257	G	92.7	Very high	94.4	Very high	49 Å²	49	52.7 Å²	52.7	51%	0.505	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.7	179.8	0	0	0	0	0	114.6	L255 I275	L255-G257 PolarHBondContact O-N 2.87Å; G257-I275 PolarHBondContact N-O 3.02Å
258	K	93.1	Very high	94.5	Very high	140 Å²	140	53.8 Å²	53.8	61%	0.609	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-55	178.6	-66.3	-169.6	-173.8	166.4	0	113.3	C256 M276 C280	C256-K258 PolarHBondContact O-N 3.02Å; K258-M276 HydrophobicContact CD-SD 4.12Å; K258-M276 VanDerWaalsContact CE-SD 3.54Å; K258-M276 HydrophobicContact CG-SD 4.23Å; K258-C280 HydrophobicContact CB-CB 4.02Å; K258-C280 HydrophobicContact CD-CB 4.02Å; K258-C280 HydrophobicContact CG-CB 4.39Å; K258-C280 PolarHBondContact NZ-O 3.16Å
259	C	95.5	Very high	94.4	Very high	65 Å²	65	57 Å²	57	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-2.2	-173.4	69.9	0	0	0	0	114.6	C256 S261	C256-C259 VanDerWaalsContact CB-SG 3.58Å; C259-S261 PolarHBondContact O-N 3.06Å; C259-S261 PolarHBondContact SG-OG 2.84Å
260	N	95.3	Very high	94.2	Very high	96 Å²	96	59.6 Å²	59.6	51%	0.513	35%	0.353	S	S	.	.			trans	57.7	16.3	-179.7	-155.4	48.8	0	0	0	115	K228 L255 C256	K228-N260 PolarHBondContact NZ-OD1 3.1Å; L255-N260 WeakPolarHBondContact CD1-OD1 3.2Å; C256-N260 WeakPolarHBondContact O-CA 3.13Å; C256-N260 PolarHBondContact O-N 2.98Å
261	S	95.5	Very high	93.9	Very high	35 Å²	35	61.5 Å²	61.5	25%	0.245	37%	0.368	C	S	.	.			trans	-68.8	144.1	173.8	65.9	0	0	0	0	111.2	L255 C256 C259 L263	L255-S261 CarbonylContact C-O 3.57Å; L255-S261 VanDerWaalsContact CA-O 3.24Å; L255-S261 WeakPolarHBondContact CA-O 3.14Å; C256-S261 PolarHBondContact N-O 3.24Å; C259-S261 PolarHBondContact O-N 3.06Å; C259-S261 PolarHBondContact SG-OG 2.84Å; S261-L263 PolarHBondContact O-N 2.88Å
262	N	96.2	Very high	93.3	Very high	61 Å²	61	67 Å²	67	33%	0.326	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-69.1	127.7	177	-165.4	-49.1	0	0	0	110.7	S251 L255 V264 R266	S251-N262 PolarHBondContact O-ND2 3.44Å; L255-N262 VanDerWaalsContact CD2-CA 3.43Å; L255-N262 HydrophobicContact CD2-CB 3.69Å; N262-V264 WeakPolarHBondContact OD1-CB 3.17Å; N262-V264 WeakPolarHBondContact OD1-CG2 3.45Å; N262-V264 PolarHBondContact OD1-N 2.84Å; N262-R266 PolarHBondContact O-NH1 2.78Å
263	L	95.8	Very high	92.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	40%	0.401	C	S	.	.			trans	-97.7	-1.2	-175.5	-62.8	177.7	0	0	0	112.9	F254 C256 S261 G265 R266 F268 I275 C277	F254-L263 HydrophobicContact CD1-CB 3.47Å; F254-L263 VanDerWaalsContact CD1-CB 3.47Å; F254-L263 HydrophobicContact CE1-CB 3.4Å; F254-L263 HydrophobicContact CG-CB 4.33Å; F254-L263 HydrophobicContact CZ-CB 4.23Å; F254-L263 WeakPolarHBondContact O-CB 3.3Å; F254-L263 PolarHBondContact O-N 3.35Å; C256-L263 HydrophobicContact CB-CD1 4.31Å; C256-L263 HydrophobicContact CB-CD2 4.12Å; C256-L263 HydrophobicContact CB-CG 4.32Å; S261-L263 PolarHBondContact O-N 2.88Å; L263-G265 PolarHBondContact O-N 2.88Å; L263-R266 PolarHBondContact O-N 3.43Å; L263-F268 HydrophobicContact CD1-CB 3.99Å; L263-I275 HydrophobicContact CD1-CB 4.22Å; L263-I275 HydrophobicContact CD1-CD1 3.87Å; L263-I275 HydrophobicContact CD1-CG1 3.91Å; L263-C277 HydrophobicContact CD2-CB 3.6Å
264	V	94.4	Very high	92.5	Very high	62 Å²	62	72.1 Å²	72.1	38%	0.376	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	123.9	177.9	176	0	0	0	0	109.4	I242 S251 F254 N262 R266	I242-V264 HydrophobicContact CD1-CG1 4.31Å; I242-V264 HydrophobicContact CD1-CG2 3.99Å; I242-V264 HydrophobicContact CG1-CG2 3.91Å; S251-V264 WeakPolarHBondContact O-CG2 3.49Å; F254-V264 HydrophobicContact CB-CG2 4.21Å; F254-V264 HydrophobicContact CD1-CG2 4.15Å; N262-V264 WeakPolarHBondContact OD1-CB 3.17Å; N262-V264 WeakPolarHBondContact OD1-CG2 3.45Å; N262-V264 PolarHBondContact OD1-N 2.84Å; V264-R266 PolarHBondContact O-N 3Å
265	G	93	Very high	92.4	Very high	88 Å²	88	72.4 Å²	72.4	91%	0.907	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	9	-178.2	0	0	0	0	0	114.7	L263	L263-G265 PolarHBondContact O-N 2.88Å
266	R	93.1	Very high	92.3	Very high	155 Å²	155	72 Å²	72	59%	0.585	42%	0.423	S	S	*	.	S	Bend	trans	-115.6	152	177.6	-63.9	-179	175	156.2	-9.6	110.7	N262 L263 V264	N262-R266 PolarHBondContact O-NH1 2.78Å; L263-R266 PolarHBondContact O-N 3.43Å; V264-R266 PolarHBondContact O-N 3Å
267	G	91.7	Very high	92.3	Very high	58 Å²	58	72.3 Å²	72.3	60%	0.598	43%	0.426	S	S	*	.			trans	-64.7	140.5	168	0	0	0	0	0	110.8
268	F	94.4	Very high	92.4	Very high	55 Å²	55	72.8 Å²	72.8	24%	0.241	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.7	178.3	65.5	-84.4	0	0	0	110.4	F244 F254 L263 T270 I275 M276	F244-F268 HydrophobicContact CB-CZ 4.09Å; F244-F268 AromaticContact CD1-CE2 3.95Å; F244-F268 HydrophobicContact CD1-CE2 3.95Å; F244-F268 HydrophobicContact CD1-CZ 4.11Å; F244-F268 HydrophobicContact CD2-CE2 4.25Å; F244-F268 AromaticContact CD2-CZ 3.62Å; F244-F268 HydrophobicContact CD2-CZ 3.62Å; F244-F268 HydrophobicContact CE1-CE2 4.17Å; F244-F268 HydrophobicContact CE1-CZ 4.49Å; F244-F268 HydrophobicContact CE2-CE2 4.44Å; F244-F268 HydrophobicContact CE2-CZ 4.03Å; F244-F268 AromaticContact CG-CE2 3.98Å; F244-F268 HydrophobicContact CG-CE2 3.98Å; F244-F268 AromaticContact CG-CZ 3.65Å; F244-F268 HydrophobicContact CG-CZ 3.65Å; F244-F268 HydrophobicContact CZ-CE2 4.4Å; F244-F268 HydrophobicContact CZ-CZ 4.44Å; F254-F268 HydrophobicContact CE1-CD1 4.09Å; F254-F268 HydrophobicContact CE1-CE1 4.27Å; F254-F268 AromaticContact CZ-CD1 3.71Å; F254-F268 HydrophobicContact CZ-CD1 3.71Å; F254-F268 HydrophobicContact CZ-CD2 4.29Å; F254-F268 AromaticContact CZ-CE1 3.68Å; F254-F268 HydrophobicContact CZ-CE1 3.68Å; F254-F268 HydrophobicContact CZ-CE2 4.25Å; F254-F268 HydrophobicContact CZ-CG 4.04Å; F254-F268 AromaticContact CZ-CZ 3.95Å; F254-F268 HydrophobicContact CZ-CZ 3.95Å; L263-F268 HydrophobicContact CD1-CB 3.99Å; F268-T270 HydrophobicContact CD2-CG2 4.03Å; F268-T270 HydrophobicContact CE2-CG2 3.78Å; F268-I275 HydrophobicContact CD2-CB 4.43Å; F268-I275 HydrophobicContact CD2-CG2 4.37Å; F268-M276 CarbonylContact C-O 3.52Å; F268-M276 WeakPolarHBondContact CA-O 3.33Å; F268-M276 WeakPolarHBondContact CB-O 3.2Å
269	L	93.6	Very high	92.4	Very high	80 Å²	80	73.8 Å²	73.8	42%	0.419	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.1	174.5	-64.2	167.1	0	0	0	108.7	I275 M276	L269-I275 CarbonylContact O-C 3.5Å; L269-I275 WeakPolarHBondContact O-CA 3.48Å; L269-M276 PolarHBondContact N-O 2.79Å; L269-M276 PolarHBondContact O-N 3.07Å
270	T	91.1	Very high	92.3	Very high	65 Å²	65	71.9 Å²	71.9	40%	0.399	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	175.9	56.5	0	0	0	0	109.5	F244 F268 I275	F244-T270 HydrophobicContact CD1-CG2 4.14Å; F244-T270 HydrophobicContact CE1-CG2 3.63Å; F244-T270 HydrophobicContact CZ-CG2 4.41Å; F268-T270 HydrophobicContact CD2-CG2 4.03Å; F268-T270 HydrophobicContact CE2-CG2 3.78Å; T270-I275 HydrophobicContact CG2-CG2 4.32Å
271	S	85.7	Confident	92	Very high	58 Å²	58	68.8 Å²	68.8	41%	0.406	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	116.1	172.4	-173	0	0	0	0	107.3	D273 M274	S271-D273 PolarHBondContact O-N 3.39Å; S271-M274 PolarHBondContact N-O 2.87Å; S271-M274 PolarHBondContact O-N 2.85Å
272	D	81.8	Confident	91.5	Very high	148 Å²	148	79.6 Å²	79.6	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	-128	-171.4	-51.6	-46.8	0	0	0	111.3	M274	D272-M274 VanDerWaalsContact C-N 3.27Å; D272-M274 PolarHBondContact O-N 3.22Å
273	D	83.4	Confident	91.3	Very high	151 Å²	151	80.6 Å²	80.6	81%	0.807	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.7	180	-64.8	-38.4	0	0	0	113.8	S271	S271-D273 PolarHBondContact O-N 3.39Å
274	M	88.4	Confident	91.1	Very high	115 Å²	115	84.8 Å²	84.8	57%	0.567	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.9	-174.1	-65.6	-164.7	-179.7	0	0	113.7	S271 D272	S271-M274 PolarHBondContact N-O 2.87Å; S271-M274 PolarHBondContact O-N 2.85Å; D272-M274 VanDerWaalsContact C-N 3.27Å; D272-M274 PolarHBondContact O-N 3.22Å
275	I	93.7	Very high	90.9	Very high	9 Å²	9	86.1 Å²	86.1	5%	0.046	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.1	168	61.4	177.4	0	0	0	109.4	W249 F254 L255 G257 L263 F268 L269 T270	W249-I275 HydrophobicContact CH2-CG2 4.22Å; W249-I275 HydrophobicContact CZ2-CD1 4.28Å; W249-I275 HydrophobicContact CZ2-CG2 3.92Å; F254-I275 HydrophobicContact CD2-CD1 3.4Å; F254-I275 VanDerWaalsContact CD2-CD1 3.4Å; F254-I275 HydrophobicContact CE2-CD1 3.37Å; F254-I275 HydrophobicContact CG-CD1 4.22Å; F254-I275 HydrophobicContact CZ-CD1 4.16Å; L255-I275 WeakPolarHBondContact O-CG1 3.24Å; G257-I275 PolarHBondContact N-O 3.02Å; L263-I275 HydrophobicContact CD1-CB 4.22Å; L263-I275 HydrophobicContact CD1-CD1 3.87Å; L263-I275 HydrophobicContact CD1-CG1 3.91Å; F268-I275 HydrophobicContact CD2-CB 4.43Å; F268-I275 HydrophobicContact CD2-CG2 4.37Å; L269-I275 CarbonylContact O-C 3.5Å; L269-I275 WeakPolarHBondContact O-CA 3.48Å; T270-I275 HydrophobicContact CG2-CG2 4.32Å
276	M	94.7	Very high	90.8	Very high	20 Å²	20	85.9 Å²	85.9	10%	0.099	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.6	-176.4	-66.1	-176.3	-74.2	0	0	111.3	K258 F268 L269 C280	K258-M276 HydrophobicContact CD-SD 4.12Å; K258-M276 VanDerWaalsContact CE-SD 3.54Å; K258-M276 HydrophobicContact CG-SD 4.23Å; F268-M276 CarbonylContact C-O 3.52Å; F268-M276 WeakPolarHBondContact CA-O 3.33Å; F268-M276 WeakPolarHBondContact CB-O 3.2Å; L269-M276 PolarHBondContact N-O 2.79Å; L269-M276 PolarHBondContact O-N 3.07Å; M276-C280 HydrophobicContact CB-CB 4.4Å
277	C	95.8	Very high	90.6	Very high	9 Å²	9	81.6 Å²	81.6	6%	0.061	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	157.9	166.1	68.3	0	0	0	0	109.9	C256 L263 E279 C280 G281	C256-C277 HydrophobicContact CB-CB 4.33Å; C256-C277 PolarHBondContact SG-N 2.93Å; L263-C277 HydrophobicContact CD2-CB 3.6Å; C277-E279 PolarHBondContact O-N 3.47Å; C277-E279 VanDerWaalsContact O-N 3.16Å; C277-C280 PolarHBondContact O-N 3.12Å; C277-C280 VanDerWaalsContact SG-CB 3.56Å; C277-C280 PolarHBondContact SG-N 3.27Å; C277-G281 PolarHBondContact O-N 3.05Å; C277-G281 VanDerWaalsContact O-N 3.07Å
278	S	93.6	Very high	90.5	Very high	58 Å²	58	83.2 Å²	83.2	41%	0.406	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	178	49	0	0	0	0	114	R282	S278-R282 WeakPolarHBondContact O-CG 3.33Å
279	E	93.5	Very high	90.3	Very high	162 Å²	162	85.2 Å²	85.2	76%	0.757	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-34.1	177.2	-64.6	172.6	178.4	0	0	112.8	C277	C277-E279 PolarHBondContact O-N 3.47Å; C277-E279 VanDerWaalsContact O-N 3.16Å
280	C	94.5	Very high	90	Very high	25 Å²	25	85.6 Å²	85.6	17%	0.169	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.3	-177.7	-79.1	0	0	0	0	113.7	K258 M276 C277	K258-C280 HydrophobicContact CB-CB 4.02Å; K258-C280 HydrophobicContact CD-CB 4.02Å; K258-C280 HydrophobicContact CG-CB 4.39Å; K258-C280 PolarHBondContact NZ-O 3.16Å; M276-C280 HydrophobicContact CB-CB 4.4Å; C277-C280 PolarHBondContact O-N 3.12Å; C277-C280 VanDerWaalsContact SG-CB 3.56Å; C277-C280 PolarHBondContact SG-N 3.27Å
281	G	87.7	Confident	89.9	Confident	30 Å²	30	87.3 Å²	87.3	31%	0.309	45%	0.451	S	S	.	.			trans	-99	1.8	179.7	0	0	0	0	0	114.6	C277	C277-G281 PolarHBondContact O-N 3.05Å; C277-G281 VanDerWaalsContact O-N 3.07Å
282	R	86	Confident	90.3	Very high	263 Å²	263	90 Å²	90	99%	0.992	46%	0.455	S	S	*	.			trans	-81	0	162.5	-76	172.5	-177	-175	1.6	109.7	S278	S278-R282 WeakPolarHBondContact O-CG 3.33Å

Retrieved 282 of 282 residues in 797.6 ms (Link to these results)

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