A0A667Y6I1_9TELE Loading...

Beta-crystallin A4

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A667Y6I1, Species 9TELE (Myripristis murdjan, pinecone soldierfish), Gene CRYBA4, Length 196 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	33.3	Very low	42.4	Very low	234 Å²	234	145.1 Å²	145.1	100%	1.153	78%	0.778	S	S	*	*				0	101.4	0	-137	171.9	-78.8	0	0	105.9	H3	M1-H3 PolarHBondContact O-N 2.99Å
2	T	29.7	Very low	46.5	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	74%	0.742	S	S	*	*			trans	-69.7	113.5	-174.9	27.3	0	0	0	0	109.2	H4	T2-H4 PolarHBondContact O-N 2.94Å
3	H	33.5	Very low	50.3	Low	189 Å²	189	132.8 Å²	132.8	88%	0.875	70%	0.698	S	S	*	*			trans	-65.4	105.3	168.1	-77.1	-84.5	0	0	0	107.9	M1 C5	M1-H3 PolarHBondContact O-N 2.99Å; H3-C5 VanDerWaalsContact C-N 3.29Å; H3-C5 PolarHBondContact O-N 2.88Å
4	H	34	Very low	53.8	Low	165 Å²	165	123.3 Å²	123.3	76%	0.764	65%	0.648	S	S	*	*			trans	-67.8	92.9	166	-82	-76.3	0	0	0	107.9	T2 T6	T2-H4 PolarHBondContact O-N 2.94Å; H4-T6 VanDerWaalsContact C-N 3.34Å; H4-T6 PolarHBondContact O-N 2.59Å; H4-T6 VanDerWaalsContact O-N 3.09Å
5	C	34.5	Very low	56.7	Low	115 Å²	115	115.7 Å²	115.7	78%	0.777	61%	0.608	S	S	*	*			trans	-68.4	98.9	159.4	-175.4	0	0	0	0	106.4	H3 K7	H3-C5 VanDerWaalsContact C-N 3.29Å; H3-C5 PolarHBondContact O-N 2.88Å; C5-K7 PolarHBondContact O-N 2.81Å
6	T	38.7	Very low	59.3	Low	109 Å²	109	108.5 Å²	108.5	67%	0.669	57%	0.57	S	S	*	*			trans	-61.8	100.2	170.4	37.2	0	0	0	0	108	H4 F8	H4-T6 VanDerWaalsContact C-N 3.34Å; H4-T6 PolarHBondContact O-N 2.59Å; H4-T6 VanDerWaalsContact O-N 3.09Å; T6-F8 PolarHBondContact O-N 3.21Å; T6-F8 VanDerWaalsContact O-N 3.08Å
7	K	35.9	Very low	61.6	Low	198 Å²	198	102.7 Å²	102.7	86%	0.861	54%	0.539	S	S	*	.			trans	-57.3	110	167	-76.8	-177.3	174.4	-177.6	0	108.2	C5	C5-K7 PolarHBondContact O-N 2.81Å
8	F	46.2	Very low	63.6	Low	117 Å²	117	99.6 Å²	99.6	51%	0.513	52%	0.523	S	S	.	.			trans	-65.8	137.3	164.9	-94.4	-89.9	0	0	0	109.6	T6 Q196	T6-F8 PolarHBondContact O-N 3.21Å; T6-F8 VanDerWaalsContact O-N 3.08Å; F8-Q196 VanDerWaalsContact CE1-NE2 3.3Å; F8-Q196 VanDerWaalsContact CZ-NE2 3.27Å
9	S	43.6	Very low	65.4	Low	127 Å²	127	99.8 Å²	99.8	89%	0.888	52%	0.521	S	S	*	.			trans	-102.9	33.2	-169.3	61.7	0	0	0	0	113.3
10	G	57.7	Low	66.9	Low	51 Å²	51	100 Å²	100	53%	0.526	52%	0.519	S	S	.	.	S	Bend	trans	-121.4	133	171.7	0	0	0	0	0	109.6	W12	G10-W12 PolarHBondContact O-N 3.09Å
11	H	78.9	Confident	68.3	Low	166 Å²	166	98.8 Å²	98.8	77%	0.769	52%	0.519	S	S	*	.			trans	-64	123.4	171.4	-65.6	-78.7	0	0	0	108.3	S51	H11-S51 WeakPolarHBondContact O-CB 3.46Å; H11-S51 PolarHBondContact O-OG 3.15Å
12	W	91.5	Very high	71.4	Confident	90 Å²	90	89 Å²	89	34%	0.341	47%	0.47	S	S	.	.			trans	-61	141.2	167.5	-60.5	-52.7	0	0	0	109	G10 T30 W54 P96 A98	G10-W12 PolarHBondContact O-N 3.09Å; W12-T30 VanDerWaalsContact O-CA 3.27Å; W12-T30 WeakPolarHBondContact O-CA 3.2Å; W12-T30 WeakPolarHBondContact O-CB 3.41Å; W12-W54 HydrophobicContact CB-CH2 4.41Å; W12-W54 HydrophobicContact CB-CZ2 3.61Å; W12-P96 HydrophobicContact CB-CB 4.45Å; W12-P96 HydrophobicContact CD2-CB 3.69Å; W12-P96 HydrophobicContact CD2-CG 4.26Å; W12-P96 HydrophobicContact CE3-CB 3.77Å; W12-P96 HydrophobicContact CE3-CG 3.8Å; W12-P96 HydrophobicContact CG-CB 4.02Å; W12-P96 HydrophobicContact CZ3-CB 4.29Å; W12-P96 HydrophobicContact CZ3-CG 4.07Å; W12-A98 HydrophobicContact CH2-CB 3.78Å; W12-A98 HydrophobicContact CZ2-CB 3.81Å
13	K	96.9	Very high	74.6	Confident	40 Å²	40	88.4 Å²	88.4	17%	0.174	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	126.6	-179.9	-176.6	170.5	165.9	174.1	0	112.8	E28 F29 E50 S51	K13-E28 HydrophobicContact CD-CG 4.21Å; K13-E28 WeakPolarHBondContact CD-OE1 3.41Å; K13-E28 WeakPolarHBondContact CE-OE1 3.21Å; K13-E28 WeakPolarHBondContact CE-OE2 3.48Å; K13-E28 HydrophobicContact CG-CG 4.12Å; K13-E28 IonicContact NZ-OE1 2.88Å; K13-E28 PolarHBondContact NZ-OE1 3.29Å; K13-E28 IonicContact NZ-OE2 3.9Å; K13-E28 PolarHBondContact NZ-OE2 3.04Å; K13-F29 WeakPolarHBondContact CA-O 3.36Å; K13-E50 HydrophobicContact CB-CB 4.21Å; K13-E50 HydrophobicContact CD-CB 4.21Å; K13-E50 HydrophobicContact CD-CG 4.45Å; K13-E50 WeakPolarHBondContact CD-OE2 3.37Å; K13-E50 VanDerWaalsContact CE-CD 3.4Å; K13-E50 WeakPolarHBondContact CE-OE2 3.33Å; K13-E50 HydrophobicContact CG-CB 4.16Å; K13-E50 IonicContact NZ-OE1 3.37Å; K13-E50 IonicContact NZ-OE2 2.98Å; K13-E50 PolarHBondContact NZ-OE2 3.47Å; K13-E50 PolarHBondContact O-N 3.17Å; K13-S51 WeakPolarHBondContact CB-OG 3.24Å; K13-S51 PolarHBondContact N-O 3.08Å; K13-S51 PolarHBondContact N-OG 3.02Å; K13-S51 PolarHBondContact O-N 2.79Å
14	I	98.1	Very high	77.7	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.3	170.5	-170.8	173.3	0	0	0	109.3	V16 F29 L47 R48 V49 W54 L69 F94	I14-V16 HydrophobicContact CD1-CG1 4.37Å; I14-V16 HydrophobicContact CG1-CG1 4.24Å; I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.3Å; I14-F29 PolarHBondContact O-N 3.05Å; I14-L47 HydrophobicContact CD1-CD1 4.13Å; I14-L47 HydrophobicContact CD1-CD2 4.29Å; I14-L47 HydrophobicContact CG1-CD1 4.35Å; I14-R48 CarbonylContact C-O 3.56Å; I14-R48 WeakPolarHBondContact CA-O 3.49Å; I14-V49 HydrophobicContact CD1-CG2 4.18Å; I14-V49 HydrophobicContact CG1-CG2 4.15Å; I14-W54 HydrophobicContact CB-CD2 4.05Å; I14-W54 HydrophobicContact CB-CE3 4.45Å; I14-W54 HydrophobicContact CB-CG 4.47Å; I14-W54 HydrophobicContact CB-CH2 4.44Å; I14-W54 HydrophobicContact CB-CZ2 4.02Å; I14-W54 HydrophobicContact CD1-CD2 4.45Å; I14-W54 HydrophobicContact CD1-CG 4.37Å; I14-W54 HydrophobicContact CG2-CD2 3.9Å; I14-W54 HydrophobicContact CG2-CE3 3.81Å; I14-W54 HydrophobicContact CG2-CH2 3.59Å; I14-W54 HydrophobicContact CG2-CZ2 3.67Å; I14-W54 HydrophobicContact CG2-CZ3 3.66Å; I14-L69 HydrophobicContact CD1-CD1 4.06Å; I14-F94 HydrophobicContact CG2-CD2 4.09Å; I14-F94 HydrophobicContact CG2-CE2 3.76Å; I14-F94 HydrophobicContact CG2-CZ 4.5Å
15	I	98.4	Very high	80.7	Confident	10 Å²	10	79.7 Å²	79.7	5%	0.051	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.8	174.3	-53.7	174.3	0	0	0	107.2	F17 R26 H27 E28 L47 R48 E50	I15-F17 HydrophobicContact CB-CE2 4.27Å; I15-F17 HydrophobicContact CG2-CD2 4.41Å; I15-F17 HydrophobicContact CG2-CE2 3.6Å; I15-F17 HydrophobicContact CG2-CZ 3.76Å; I15-R26 HydrophobicContact CG2-CB 4.47Å; I15-H27 WeakPolarHBondContact CA-O 3.19Å; I15-E28 HydrophobicContact CG1-CB 4.47Å; I15-E28 HydrophobicContact CG1-CG 4.46Å; I15-L47 CarbonylContact O-C 3.57Å; I15-L47 WeakPolarHBondContact O-CA 2.83Å; I15-L47 WeakPolarHBondContact O-CB 3.13Å; I15-R48 PolarHBondContact N-O 3.43Å; I15-R48 PolarHBondContact O-N 3.17Å; I15-E50 HydrophobicContact CD1-CG 4.27Å; I15-E50 WeakPolarHBondContact CD1-OE1 3.5Å
16	V	98.3	Very high	83.7	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.3	-179.2	-55.4	0	0	0	0	110.8	I14 R26 H27 F29 F41 V44 L47 F94	I14-V16 HydrophobicContact CD1-CG1 4.37Å; I14-V16 HydrophobicContact CG1-CG1 4.24Å; V16-R26 WeakPolarHBondContact O-CA 3.22Å; V16-H27 HydrophobicContact CG2-CB 4.37Å; V16-H27 PolarHBondContact N-O 2.93Å; V16-H27 PolarHBondContact O-N 2.96Å; V16-F29 HydrophobicContact CG2-CD2 4.12Å; V16-F29 HydrophobicContact CG2-CE2 3.57Å; V16-F41 HydrophobicContact CG2-CD1 4.46Å; V16-F41 HydrophobicContact CG2-CE1 4.04Å; V16-F41 HydrophobicContact CG2-CZ 4.17Å; V16-V44 HydrophobicContact CB-CB 4.44Å; V16-V44 HydrophobicContact CB-CG1 3.81Å; V16-V44 HydrophobicContact CB-CG2 3.79Å; V16-V44 HydrophobicContact CG1-CG1 4.07Å; V16-V44 HydrophobicContact CG1-CG2 3.95Å; V16-V44 HydrophobicContact CG2-CG2 4.19Å; V16-L47 HydrophobicContact CG1-CB 4.23Å; V16-F94 HydrophobicContact CG1-CE1 3.94Å; V16-F94 HydrophobicContact CG1-CZ 4.06Å
17	F	98.4	Very high	86.6	Confident	10 Å²	10	80.8 Å²	80.8	4%	0.044	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.8	-178.4	-61.9	-97.8	0	0	0	110.3	I15 F22 Q23 R25 R26 R45 S46	I15-F17 HydrophobicContact CB-CE2 4.27Å; I15-F17 HydrophobicContact CG2-CD2 4.41Å; I15-F17 HydrophobicContact CG2-CE2 3.6Å; I15-F17 HydrophobicContact CG2-CZ 3.76Å; F17-F22 HydrophobicContact CD1-CB 4.26Å; F17-F22 WeakPolarHBondContact CD1-O 3.04Å; F17-F22 HydrophobicContact CD2-CB 4.14Å; F17-F22 HydrophobicContact CD2-CD1 4.05Å; F17-F22 HydrophobicContact CE1-CB 4Å; F17-F22 WeakPolarHBondContact CE1-O 3.46Å; F17-F22 HydrophobicContact CE2-CB 3.9Å; F17-F22 AromaticContact CE2-CD1 3.98Å; F17-F22 HydrophobicContact CE2-CD1 3.98Å; F17-F22 HydrophobicContact CE2-CG 4.4Å; F17-F22 HydrophobicContact CG-CB 4.33Å; F17-F22 HydrophobicContact CZ-CB 3.82Å; F17-Q23 WeakPolarHBondContact CB-O 3.48Å; F17-Q23 WeakPolarHBondContact CD1-O 3.41Å; F17-R25 VanDerWaalsContact CA-O 3.26Å; F17-R25 WeakPolarHBondContact CA-O 3.39Å; F17-R26 HydrophobicContact CD1-CB 3.56Å; F17-R26 HydrophobicContact CE1-CB 3.48Å; F17-R26 VanDerWaalsContact CE1-CB 3.48Å; F17-R26 HydrophobicContact CE1-CG 4.32Å; F17-R26 HydrophobicContact CG-CB 4.29Å; F17-R26 HydrophobicContact CZ-CB 4.13Å; F17-R45 PolarHBondContact O-N 3.44Å; F17-S46 WeakPolarHBondContact CB-OG 3.41Å; F17-S46 PolarHBondContact N-O 3.23Å; F17-S46 PolarHBondContact O-N 2.85Å
18	D	97.1	Very high	89.5	Confident	46 Å²	46	76 Å²	76	25%	0.246	39%	0.385	C	S	.	.	S	Bend	trans	-87.1	-5.9	177.5	66.4	-8.1	0	0	0	113.5	G24 R25 F41 R45	D18-G24 WeakPolarHBondContact OD1-CA 3.21Å; D18-R25 HydrophobicContact CB-CB 4.46Å; D18-R25 VanDerWaalsContact CG-CB 3.49Å; D18-R25 PolarHBondContact N-O 2.91Å; D18-R25 VanDerWaalsContact N-O 3.13Å; D18-R25 PolarHBondContact OD1-N 2.96Å; D18-R25 WeakPolarHBondContact OD2-CB 3.3Å; D18-R25 IonicContact OD2-NE 3.21Å; D18-F41 HydrophobicContact CB-CD1 3.66Å; D18-F41 HydrophobicContact CB-CE1 3.92Å; D18-R45 WeakPolarHBondContact O-CG 3.46Å
19	E	97.1	Very high	92	Very high	105 Å²	105	70.9 Å²	70.9	49%	0.491	36%	0.362	S	S	.	.	S	Bend	trans	-119.7	163.8	170.2	-64.8	177	-168.1	0	0	111.4	Q23 G24 R45 S46	E19-Q23 HydrophobicContact CB-CB 3.99Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.41Å; E19-G24 PolarHBondContact OE2-N 3.1Å; E19-R45 VanDerWaalsContact C-CB 3.41Å; E19-S46 WeakPolarHBondContact O-CB 3.38Å; E19-S46 PolarHBondContact O-N 3Å; E19-S46 PolarHBondContact O-OG 3.27Å
20	E	95.9	Very high	94.5	Very high	102 Å²	102	68.5 Å²	68.5	48%	0.477	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-69.1	165.5	173	-67.3	179.1	179.6	0	0	111.4	F22 Q23 R45 P75 Q76	E20-F22 PolarHBondContact O-N 3.35Å; E20-F22 VanDerWaalsContact O-N 3.13Å; E20-Q23 PolarHBondContact O-N 3.43Å; E20-R45 HydrophobicContact CG-CB 4.39Å; E20-P75 CarbonylContact C-O 3.57Å; E20-P75 WeakPolarHBondContact CA-O 2.97Å; E20-Q76 HydrophobicContact CG-CB 4.25Å
21	C	97.1	Very high	96.3	Very high	75 Å²	75	69.3 Å²	69.3	51%	0.507	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	55.1	33.3	175.8	-60.3	0	0	0	0	114.1	Q23 P75	C21-Q23 VanDerWaalsContact C-N 3.31Å; C21-Q23 PolarHBondContact O-N 3.29Å; C21-Q23 PolarHBondContact O-NE2 3.36Å; C21-P75 PolarHBondContact N-O 2.62Å
22	F	97.7	Very high	97.2	Very high	29 Å²	29	66.7 Å²	66.7	13%	0.127	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	61.6	35	176.5	-36.8	-66.6	0	0	0	113.7	F17 E20 S46 L47 R48 E73 Y74 P75	F17-F22 HydrophobicContact CD1-CB 4.26Å; F17-F22 WeakPolarHBondContact CD1-O 3.04Å; F17-F22 HydrophobicContact CD2-CB 4.14Å; F17-F22 HydrophobicContact CD2-CD1 4.05Å; F17-F22 HydrophobicContact CE1-CB 4Å; F17-F22 WeakPolarHBondContact CE1-O 3.46Å; F17-F22 HydrophobicContact CE2-CB 3.9Å; F17-F22 AromaticContact CE2-CD1 3.98Å; F17-F22 HydrophobicContact CE2-CD1 3.98Å; F17-F22 HydrophobicContact CE2-CG 4.4Å; F17-F22 HydrophobicContact CG-CB 4.33Å; F17-F22 HydrophobicContact CZ-CB 3.82Å; E20-F22 PolarHBondContact O-N 3.35Å; E20-F22 VanDerWaalsContact O-N 3.13Å; F22-S46 WeakPolarHBondContact CA-OG 3.27Å; F22-S46 PolarHBondContact N-OG 3.22Å; F22-L47 WeakPolarHBondContact CE1-O 3.32Å; F22-R48 HydrophobicContact CD1-CG 3.77Å; F22-R48 HydrophobicContact CE1-CG 3.71Å; F22-R48 HydrophobicContact CZ-CG 4.4Å; F22-E73 HydrophobicContact CE1-CB 4.41Å; F22-E73 HydrophobicContact CE2-CB 4.44Å; F22-E73 HydrophobicContact CZ-CB 3.73Å; F22-E73 HydrophobicContact CZ-CG 4.42Å; F22-Y74 WeakPolarHBondContact CE1-O 3.37Å; F22-P75 HydrophobicContact CE2-CB 4.1Å; F22-P75 HydrophobicContact CZ-CB 3.84Å
23	Q	97.9	Very high	97.5	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.523	31%	0.313	S	S	.	.			trans	-102.7	179.8	178.8	-58.1	-52.7	-57.4	0	0	112.2	F17 E19 E20 C21	F17-Q23 WeakPolarHBondContact CB-O 3.48Å; F17-Q23 WeakPolarHBondContact CD1-O 3.41Å; E19-Q23 HydrophobicContact CB-CB 3.99Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.41Å; E20-Q23 PolarHBondContact O-N 3.43Å; C21-Q23 VanDerWaalsContact C-N 3.31Å; C21-Q23 PolarHBondContact O-N 3.29Å; C21-Q23 PolarHBondContact O-NE2 3.36Å
24	G	97.5	Very high	97.6	Very high	46 Å²	46	62.8 Å²	62.8	47%	0.474	32%	0.319	S	S	.	.	S	Bend	trans	71.3	-150.6	176.5	0	0	0	0	0	114.2	D18 E19	D18-G24 WeakPolarHBondContact OD1-CA 3.21Å; E19-G24 PolarHBondContact OE2-N 3.1Å
25	R	97.6	Very high	97.6	Very high	125 Å²	125	64.4 Å²	64.4	47%	0.472	33%	0.327	S	S	.	.	S	Bend	trans	-68.8	138.2	175.5	-171.2	-175.2	-54.3	-170.1	9	109.4	F17 D18 G40 F41	F17-R25 VanDerWaalsContact CA-O 3.26Å; F17-R25 WeakPolarHBondContact CA-O 3.39Å; D18-R25 HydrophobicContact CB-CB 4.46Å; D18-R25 VanDerWaalsContact CG-CB 3.49Å; D18-R25 PolarHBondContact N-O 2.91Å; D18-R25 VanDerWaalsContact N-O 3.13Å; D18-R25 PolarHBondContact OD1-N 2.96Å; D18-R25 WeakPolarHBondContact OD2-CB 3.3Å; D18-R25 IonicContact OD2-NE 3.21Å; R25-G40 VanDerWaalsContact NH1-CA 3.32Å; R25-G40 PolarHBondContact NH1-O 2.82Å; R25-F41 HydrophobicContact CB-CE1 4.41Å; R25-F41 HydrophobicContact CB-CZ 4.23Å; R25-F41 HydrophobicContact CG-CE1 4.42Å; R25-F41 HydrophobicContact CG-CE2 4.1Å; R25-F41 HydrophobicContact CG-CZ 3.77Å; R25-F41 WeakPolarHBondContact O-CE1 3.45Å
26	R	97.8	Very high	97.6	Very high	176 Å²	176	63.9 Å²	63.9	66%	0.664	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.2	173.8	74.2	178.1	-174	158.1	2.3	112.7	I15 V16 F17	I15-R26 HydrophobicContact CG2-CB 4.47Å; V16-R26 WeakPolarHBondContact O-CA 3.22Å; F17-R26 HydrophobicContact CD1-CB 3.56Å; F17-R26 HydrophobicContact CE1-CB 3.48Å; F17-R26 VanDerWaalsContact CE1-CB 3.48Å; F17-R26 HydrophobicContact CE1-CG 4.32Å; F17-R26 HydrophobicContact CG-CB 4.29Å; F17-R26 HydrophobicContact CZ-CB 4.13Å
27	H	98.4	Very high	97.5	Very high	72 Å²	72	69.2 Å²	69.2	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.4	171	-158.7	90.7	0	0	0	110.7	I15 V16 F29 F39 F41	I15-H27 WeakPolarHBondContact CA-O 3.19Å; V16-H27 HydrophobicContact CG2-CB 4.37Å; V16-H27 PolarHBondContact N-O 2.93Å; V16-H27 PolarHBondContact O-N 2.96Å; H27-F29 HydrophobicContact CB-CD2 4.49Å; H27-F29 HydrophobicContact CB-CE2 3.75Å; H27-F29 HydrophobicContact CB-CZ 4.23Å; H27-F29 AromaticContact CD2-CD2 3.84Å; H27-F29 AromaticContact CD2-CE1 3.74Å; H27-F29 AromaticContact CD2-CE2 3.41Å; H27-F29 VanDerWaalsContact CD2-CE2 3.41Å; H27-F29 WeakPolarHBondContact CD2-CE2 3.34Å; H27-F29 AromaticContact CD2-CZ 3.37Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.22Å; H27-F29 AromaticContact CG-CE2 3.89Å; H27-F29 AromaticContact CG-CZ 3.98Å; H27-F39 AromaticContact CD2-CD1 3.89Å; H27-F39 AromaticContact CE1-CD1 3.61Å; H27-F39 AromaticContact NE2-CD1 3.46Å; H27-F39 WeakPolarHBondContact NE2-CD1 3.33Å; H27-F39 AromaticContact NE2-CE1 3.7Å; H27-F41 HydrophobicContact CB-CE2 3.72Å; H27-F41 HydrophobicContact CB-CZ 3.83Å
28	E	98.3	Very high	97.4	Very high	98 Å²	98	75 Å²	75	46%	0.458	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131	178.9	175.3	174.3	149.6	0	0	109.7	K13 I15	K13-E28 HydrophobicContact CD-CG 4.21Å; K13-E28 WeakPolarHBondContact CD-OE1 3.41Å; K13-E28 WeakPolarHBondContact CE-OE1 3.21Å; K13-E28 WeakPolarHBondContact CE-OE2 3.48Å; K13-E28 HydrophobicContact CG-CG 4.12Å; K13-E28 IonicContact NZ-OE1 2.88Å; K13-E28 PolarHBondContact NZ-OE1 3.29Å; K13-E28 IonicContact NZ-OE2 3.9Å; K13-E28 PolarHBondContact NZ-OE2 3.04Å; I15-E28 HydrophobicContact CG1-CB 4.47Å; I15-E28 HydrophobicContact CG1-CG 4.46Å
29	F	97.9	Very high	97.4	Very high	9 Å²	9	76.5 Å²	76.5	4%	0.039	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.2	178.2	-64.6	-92.8	0	0	0	110.7	K13 I14 V16 H27 C33 F39 W54 F94	K13-F29 WeakPolarHBondContact CA-O 3.36Å; I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.3Å; I14-F29 PolarHBondContact O-N 3.05Å; V16-F29 HydrophobicContact CG2-CD2 4.12Å; V16-F29 HydrophobicContact CG2-CE2 3.57Å; H27-F29 HydrophobicContact CB-CD2 4.49Å; H27-F29 HydrophobicContact CB-CE2 3.75Å; H27-F29 HydrophobicContact CB-CZ 4.23Å; H27-F29 AromaticContact CD2-CD2 3.84Å; H27-F29 AromaticContact CD2-CE1 3.74Å; H27-F29 AromaticContact CD2-CE2 3.41Å; H27-F29 VanDerWaalsContact CD2-CE2 3.41Å; H27-F29 WeakPolarHBondContact CD2-CE2 3.34Å; H27-F29 AromaticContact CD2-CZ 3.37Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.22Å; H27-F29 AromaticContact CG-CE2 3.89Å; H27-F29 AromaticContact CG-CZ 3.98Å; F29-C33 HydrophobicContact CD1-CB 3.99Å; F29-C33 HydrophobicContact CE1-CB 3.81Å; F29-C33 HydrophobicContact CZ-CB 4.43Å; F29-F39 AromaticContact CE1-CD1 3.95Å; F29-F39 HydrophobicContact CE1-CD1 3.95Å; F29-F39 AromaticContact CE1-CD2 3.76Å; F29-F39 HydrophobicContact CE1-CD2 3.76Å; F29-F39 AromaticContact CE1-CE1 3.81Å; F29-F39 HydrophobicContact CE1-CE1 3.81Å; F29-F39 AromaticContact CE1-CE2 3.66Å; F29-F39 HydrophobicContact CE1-CE2 3.66Å; F29-F39 AromaticContact CE1-CG 3.93Å; F29-F39 HydrophobicContact CE1-CG 3.93Å; F29-F39 AromaticContact CE1-CZ 3.68Å; F29-F39 HydrophobicContact CE1-CZ 3.68Å; F29-F39 HydrophobicContact CZ-CB 4.21Å; F29-F39 AromaticContact CZ-CD1 3.97Å; F29-F39 HydrophobicContact CZ-CD1 3.97Å; F29-F39 AromaticContact CZ-CD2 3.77Å; F29-F39 HydrophobicContact CZ-CD2 3.77Å; F29-F39 HydrophobicContact CZ-CE1 4.31Å; F29-F39 HydrophobicContact CZ-CE2 4.17Å; F29-F39 AromaticContact CZ-CG 3.68Å; F29-F39 HydrophobicContact CZ-CG 3.68Å; F29-F39 HydrophobicContact CZ-CZ 4.42Å; F29-W54 HydrophobicContact CB-CH2 4.47Å; F29-F94 HydrophobicContact CB-CE2 3.79Å; F29-F94 HydrophobicContact CB-CZ 4.27Å; F29-F94 HydrophobicContact CD1-CE2 4.09Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.86Å; F29-F94 HydrophobicContact CD2-CE2 3.86Å; F29-F94 AromaticContact CD2-CZ 3.42Å; F29-F94 HydrophobicContact CD2-CZ 3.42Å; F29-F94 VanDerWaalsContact CD2-CZ 3.42Å; F29-F94 HydrophobicContact CE1-CZ 4.19Å; F29-F94 HydrophobicContact CE2-CE1 4.48Å; F29-F94 HydrophobicContact CE2-CE2 4.44Å; F29-F94 AromaticContact CE2-CZ 3.6Å; F29-F94 HydrophobicContact CE2-CZ 3.6Å; F29-F94 AromaticContact CG-CE2 3.65Å; F29-F94 HydrophobicContact CG-CE2 3.65Å; F29-F94 AromaticContact CG-CZ 3.64Å; F29-F94 HydrophobicContact CG-CZ 3.64Å; F29-F94 AromaticContact CZ-CZ 3.99Å; F29-F94 HydrophobicContact CZ-CZ 3.99Å
30	T	96.6	Very high	97.4	Very high	76 Å²	76	73.3 Å²	73.3	47%	0.466	38%	0.378	S	S	.	.	S	Bend	trans	-116.9	0.2	173.5	57.7	0	0	0	0	112.8	W12	W12-T30 VanDerWaalsContact O-CA 3.27Å; W12-T30 WeakPolarHBondContact O-CA 3.2Å; W12-T30 WeakPolarHBondContact O-CB 3.41Å
31	S	95.6	Very high	97.5	Very high	69 Å²	69	68.6 Å²	68.6	48%	0.483	36%	0.356	S	S	.	.	S	Bend	trans	-137.8	176.1	177.1	64.4	0	0	0	0	109.8	W54	S31-W54 WeakPolarHBondContact O-CH2 3.5Å; S31-W54 WeakPolarHBondContact O-CZ3 3.35Å
32	E	97.5	Very high	97.4	Very high	110 Å²	110	73.2 Å²	73.2	51%	0.514	37%	0.37	S	S	.	.			trans	-59	153.3	171.8	64	-177	-126.3	0	0	113.6	Y62 F94 R95	E32-Y62 WeakPolarHBondContact CB-OH 3.48Å; E32-Y62 WeakPolarHBondContact CG-OH 3.33Å; E32-Y62 PolarHBondContact OE1-OH 2.94Å; E32-F94 WeakPolarHBondContact CA-O 3.15Å; E32-R95 HydrophobicContact CB-CB 3.53Å
33	C	98.2	Very high	97.3	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.027	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-132.2	110.3	172.9	179.4	0	0	0	0	107.7	F29 N35 S93 F94	F29-C33 HydrophobicContact CD1-CB 3.99Å; F29-C33 HydrophobicContact CE1-CB 3.81Å; F29-C33 HydrophobicContact CZ-CB 4.43Å; C33-N35 VanDerWaalsContact C-N 3.33Å; C33-N35 VanDerWaalsContact SG-C 3.57Å; C33-S93 CarbonylContact O-C 3.43Å; C33-S93 VanDerWaalsContact O-CA 3.26Å; C33-S93 WeakPolarHBondContact O-CA 3.43Å; C33-S93 WeakPolarHBondContact O-CB 3.39Å; C33-F94 HydrophobicContact CB-CD2 4.17Å; C33-F94 HydrophobicContact CB-CE1 4.05Å; C33-F94 HydrophobicContact CB-CE2 3.61Å; C33-F94 HydrophobicContact CB-CZ 3.53Å; C33-F94 PolarHBondContact N-O 3.14Å; C33-F94 PolarHBondContact O-N 2.76Å
34	C	97.9	Very high	97.3	Very high	45 Å²	45	67 Å²	67	30%	0.304	34%	0.342	S	S	.	.	S	Bend	trans	-78	-18.4	-179.5	62.1	0	0	0	0	113	A60 S61 Y62 S93	C34-A60 CarbonylContact O-C 3.46Å; C34-A60 WeakPolarHBondContact O-CA 3.34Å; C34-S61 PolarHBondContact O-N 3.27Å; C34-Y62 HydrophobicContact CB-CE1 4.34Å; C34-Y62 HydrophobicContact CB-CE2 4.3Å; C34-S93 VanDerWaalsContact O-CB 3.22Å; C34-S93 WeakPolarHBondContact O-CB 3.36Å
35	N	98.3	Very high	97.2	Very high	33 Å²	33	69.5 Å²	69.5	18%	0.176	34%	0.337	C	S	.	.			trans	-159.8	111.9	177.6	-175.7	4	0	0	0	111.6	C33 M37 E38 A60 T92	C33-N35 VanDerWaalsContact C-N 3.33Å; C33-N35 VanDerWaalsContact SG-C 3.57Å; N35-M37 PolarHBondContact O-N 2.83Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.44Å; N35-M37 VanDerWaalsContact OD1-CE 3.23Å; N35-M37 WeakPolarHBondContact OD1-CE 3.26Å; N35-M37 WeakPolarHBondContact OD1-CG 3.43Å; N35-M37 PolarHBondContact OD1-N 3.02Å; N35-M37 VanDerWaalsContact OD1-N 3.1Å; N35-E38 HydrophobicContact CB-CG 4.22Å; N35-E38 WeakPolarHBondContact O-CB 3.41Å; N35-E38 PolarHBondContact O-N 3.03Å; N35-E38 VanDerWaalsContact O-N 3.17Å; N35-A60 HydrophobicContact CB-CB 4.16Å; N35-T92 WeakPolarHBondContact CA-O 3.31Å
36	V	98	Very high	97.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-66.1	-18.1	-179.2	-60.1	0	0	0	0	113.8	E38 F39 G40 F41 V44 T92 F94	V36-E38 PolarHBondContact O-N 3.29Å; V36-F39 PolarHBondContact O-N 3.13Å; V36-G40 PolarHBondContact O-N 2.84Å; V36-F41 CarbonylContact C-O 3.57Å; V36-F41 HydrophobicContact CB-CB 3.93Å; V36-F41 HydrophobicContact CG2-CB 3.93Å; V36-F41 PolarHBondContact O-N 3.19Å; V36-F41 VanDerWaalsContact O-N 3.17Å; V36-V44 HydrophobicContact CG1-CG2 4.06Å; V36-T92 WeakPolarHBondContact CG1-O 3.23Å; V36-T92 HydrophobicContact CG2-CG2 4.35Å; V36-T92 PolarHBondContact N-O 2.88Å; V36-F94 HydrophobicContact CG1-CD1 4.25Å; V36-F94 HydrophobicContact CG1-CE1 3.59Å; V36-F94 HydrophobicContact CG1-CZ 4.47Å
37	M	97.1	Very high	97.2	Very high	112 Å²	112	55.1 Å²	55.1	55%	0.552	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63	-26	174.9	-65.2	-175.9	-83.9	0	0	112.4	N35 F39 G40 F41	N35-M37 PolarHBondContact O-N 2.83Å; N35-M37 VanDerWaalsContact OD1-CB 3.31Å; N35-M37 WeakPolarHBondContact OD1-CB 3.44Å; N35-M37 VanDerWaalsContact OD1-CE 3.23Å; N35-M37 WeakPolarHBondContact OD1-CE 3.26Å; N35-M37 WeakPolarHBondContact OD1-CG 3.43Å; N35-M37 PolarHBondContact OD1-N 3.02Å; N35-M37 VanDerWaalsContact OD1-N 3.1Å; M37-F39 PolarHBondContact O-N 2.72Å; M37-G40 WeakPolarHBondContact O-CA 3.43Å; M37-G40 PolarHBondContact O-N 2.83Å; M37-F41 WeakPolarHBondContact CA-O 3.33Å; M37-F41 WeakPolarHBondContact CG-O 3.48Å; M37-F41 PolarHBondContact N-O 2.95Å
38	E	97	Very high	97.2	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.3	174.5	-63.6	176.5	-167.4	0	0	112.4	N35 V36	N35-E38 HydrophobicContact CB-CG 4.22Å; N35-E38 WeakPolarHBondContact O-CB 3.41Å; N35-E38 PolarHBondContact O-N 3.03Å; N35-E38 VanDerWaalsContact O-N 3.17Å; V36-E38 PolarHBondContact O-N 3.29Å
39	F	97	Very high	97.2	Very high	79 Å²	79	51.2 Å²	51.2	35%	0.346	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-103.7	9.8	176.4	-58.8	-91.5	0	0	0	111.6	H27 F29 V36 M37 F41	H27-F39 AromaticContact CD2-CD1 3.89Å; H27-F39 AromaticContact CE1-CD1 3.61Å; H27-F39 AromaticContact NE2-CD1 3.46Å; H27-F39 WeakPolarHBondContact NE2-CD1 3.33Å; H27-F39 AromaticContact NE2-CE1 3.7Å; F29-F39 AromaticContact CE1-CD1 3.95Å; F29-F39 HydrophobicContact CE1-CD1 3.95Å; F29-F39 AromaticContact CE1-CD2 3.76Å; F29-F39 HydrophobicContact CE1-CD2 3.76Å; F29-F39 AromaticContact CE1-CE1 3.81Å; F29-F39 HydrophobicContact CE1-CE1 3.81Å; F29-F39 AromaticContact CE1-CE2 3.66Å; F29-F39 HydrophobicContact CE1-CE2 3.66Å; F29-F39 AromaticContact CE1-CG 3.93Å; F29-F39 HydrophobicContact CE1-CG 3.93Å; F29-F39 AromaticContact CE1-CZ 3.68Å; F29-F39 HydrophobicContact CE1-CZ 3.68Å; F29-F39 HydrophobicContact CZ-CB 4.21Å; F29-F39 AromaticContact CZ-CD1 3.97Å; F29-F39 HydrophobicContact CZ-CD1 3.97Å; F29-F39 AromaticContact CZ-CD2 3.77Å; F29-F39 HydrophobicContact CZ-CD2 3.77Å; F29-F39 HydrophobicContact CZ-CE1 4.31Å; F29-F39 HydrophobicContact CZ-CE2 4.17Å; F29-F39 AromaticContact CZ-CG 3.68Å; F29-F39 HydrophobicContact CZ-CG 3.68Å; F29-F39 HydrophobicContact CZ-CZ 4.42Å; V36-F39 PolarHBondContact O-N 3.13Å; M37-F39 PolarHBondContact O-N 2.72Å; F39-F41 HydrophobicContact CB-CD2 3.98Å; F39-F41 HydrophobicContact CB-CE2 4.26Å; F39-F41 VanDerWaalsContact O-CD2 3.31Å; F39-F41 WeakPolarHBondContact O-CD2 3.16Å
40	G	96.6	Very high	97.1	Very high	37 Å²	37	54.8 Å²	54.8	38%	0.381	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	16.4	177.4	0	0	0	0	0	115.2	R25 V36 M37	R25-G40 VanDerWaalsContact NH1-CA 3.32Å; R25-G40 PolarHBondContact NH1-O 2.82Å; V36-G40 PolarHBondContact O-N 2.84Å; M37-G40 WeakPolarHBondContact O-CA 3.43Å; M37-G40 PolarHBondContact O-N 2.83Å
41	F	97.4	Very high	97	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.267	C	S	.	.			trans	-92.7	134.4	174.1	-68.5	-110.1	0	0	0	109.6	V16 D18 R25 H27 V36 M37 F39	V16-F41 HydrophobicContact CG2-CD1 4.46Å; V16-F41 HydrophobicContact CG2-CE1 4.04Å; V16-F41 HydrophobicContact CG2-CZ 4.17Å; D18-F41 HydrophobicContact CB-CD1 3.66Å; D18-F41 HydrophobicContact CB-CE1 3.92Å; R25-F41 HydrophobicContact CB-CE1 4.41Å; R25-F41 HydrophobicContact CB-CZ 4.23Å; R25-F41 HydrophobicContact CG-CE1 4.42Å; R25-F41 HydrophobicContact CG-CE2 4.1Å; R25-F41 HydrophobicContact CG-CZ 3.77Å; R25-F41 WeakPolarHBondContact O-CE1 3.45Å; H27-F41 HydrophobicContact CB-CE2 3.72Å; H27-F41 HydrophobicContact CB-CZ 3.83Å; V36-F41 CarbonylContact C-O 3.57Å; V36-F41 HydrophobicContact CB-CB 3.93Å; V36-F41 HydrophobicContact CG2-CB 3.93Å; V36-F41 PolarHBondContact O-N 3.19Å; V36-F41 VanDerWaalsContact O-N 3.17Å; M37-F41 WeakPolarHBondContact CA-O 3.33Å; M37-F41 WeakPolarHBondContact CG-O 3.48Å; M37-F41 PolarHBondContact N-O 2.95Å; F39-F41 HydrophobicContact CB-CD2 3.98Å; F39-F41 HydrophobicContact CB-CE2 4.26Å; F39-F41 VanDerWaalsContact O-CD2 3.31Å; F39-F41 WeakPolarHBondContact O-CD2 3.16Å
42	E	95.7	Very high	96.9	Very high	173 Å²	173	49.9 Å²	49.9	81%	0.808	25%	0.249	S	C	*	.	S	Bend	trans	-73.7	-40.6	167.8	-65.9	-176.1	173.2	0	0	111
43	T	96	Very high	96.8	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	23%	0.225	C	C	.	.			trans	-157.2	159.9	173.2	-178.5	0	0	0	0	109.1	R45 R90 M91	T43-R45 HydrophobicContact CG2-CG 4.3Å; T43-R90 VanDerWaalsContact OG1-CA 3.28Å; T43-R90 WeakPolarHBondContact OG1-CA 3.33Å; T43-M91 PolarHBondContact OG1-N 3.31Å; T43-M91 PolarHBondContact OG1-O 2.81Å
44	V	96.9	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.			trans	-78.7	132.7	164.1	-179.2	0	0	0	0	109.2	V16 V36 S46 L47 F80 M91 F94	V16-V44 HydrophobicContact CB-CB 4.44Å; V16-V44 HydrophobicContact CB-CG1 3.81Å; V16-V44 HydrophobicContact CB-CG2 3.79Å; V16-V44 HydrophobicContact CG1-CG1 4.07Å; V16-V44 HydrophobicContact CG1-CG2 3.95Å; V16-V44 HydrophobicContact CG2-CG2 4.19Å; V36-V44 HydrophobicContact CG1-CG2 4.06Å; V44-S46 WeakPolarHBondContact CG1-O 3.48Å; V44-L47 HydrophobicContact CG1-CB 4.17Å; V44-L47 HydrophobicContact CG1-CD2 4.14Å; V44-F80 HydrophobicContact CG1-CZ 4.3Å; V44-M91 HydrophobicContact CB-CB 4.45Å; V44-M91 HydrophobicContact CB-CE 3.5Å; V44-M91 VanDerWaalsContact CB-CE 3.5Å; V44-M91 HydrophobicContact CG1-CE 3.58Å; V44-M91 HydrophobicContact CG2-CE 3.67Å; V44-M91 PolarHBondContact N-O 2.89Å; V44-F94 HydrophobicContact CG2-CE1 4.41Å
45	R	96.1	Very high	96.8	Very high	97 Å²	97	42.4 Å²	42.4	37%	0.366	21%	0.209	S	C	.	.			trans	-110.1	-31.9	177.1	-67.7	-61.2	-172.6	-178.7	-4.2	113.2	F17 D18 E19 E20 T43 Q76 C77 E89	F17-R45 PolarHBondContact O-N 3.44Å; D18-R45 WeakPolarHBondContact O-CG 3.46Å; E19-R45 VanDerWaalsContact C-CB 3.41Å; E20-R45 HydrophobicContact CG-CB 4.39Å; T43-R45 HydrophobicContact CG2-CG 4.3Å; R45-Q76 CarbonylContact O-C 3.57Å; R45-Q76 VanDerWaalsContact O-CA 3.3Å; R45-Q76 WeakPolarHBondContact O-CA 3.5Å; R45-C77 PolarHBondContact O-N 3.25Å; R45-E89 PolarHBondContact NH1-O 3.1Å
46	S	97.2	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.5	170	64.5	0	0	0	0	110.6	F17 E19 F22 V44 Y74 P75	F17-S46 WeakPolarHBondContact CB-OG 3.41Å; F17-S46 PolarHBondContact N-O 3.23Å; F17-S46 PolarHBondContact O-N 2.85Å; E19-S46 WeakPolarHBondContact O-CB 3.38Å; E19-S46 PolarHBondContact O-N 3Å; E19-S46 PolarHBondContact O-OG 3.27Å; F22-S46 WeakPolarHBondContact CA-OG 3.27Å; F22-S46 PolarHBondContact N-OG 3.22Å; V44-S46 WeakPolarHBondContact CG1-O 3.48Å; S46-Y74 CarbonylContact C-O 3.55Å; S46-Y74 VanDerWaalsContact CA-O 3.26Å; S46-Y74 WeakPolarHBondContact CA-O 3.14Å; S46-Y74 VanDerWaalsContact CB-O 3.24Å; S46-Y74 WeakPolarHBondContact CB-O 3.46Å; S46-P75 VanDerWaalsContact CB-O 3.31Å; S46-P75 WeakPolarHBondContact CB-O 3.31Å
47	L	97.8	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.2	-178.3	65.6	87.5	0	0	0	113.2	I14 I15 V16 F22 V44 V49 L69 Y74 F80 M91	I14-L47 HydrophobicContact CD1-CD1 4.13Å; I14-L47 HydrophobicContact CD1-CD2 4.29Å; I14-L47 HydrophobicContact CG1-CD1 4.35Å; I15-L47 CarbonylContact O-C 3.57Å; I15-L47 WeakPolarHBondContact O-CA 2.83Å; I15-L47 WeakPolarHBondContact O-CB 3.13Å; V16-L47 HydrophobicContact CG1-CB 4.23Å; F22-L47 WeakPolarHBondContact CE1-O 3.32Å; V44-L47 HydrophobicContact CG1-CB 4.17Å; V44-L47 HydrophobicContact CG1-CD2 4.14Å; L47-V49 HydrophobicContact CD1-CG2 3.76Å; L47-L69 HydrophobicContact CD1-CD1 4.45Å; L47-L69 HydrophobicContact CD1-CD2 4.41Å; L47-L69 HydrophobicContact CD2-CD1 3.79Å; L47-L69 HydrophobicContact CD2-CD2 4.18Å; L47-Y74 HydrophobicContact CD1-CD2 3.29Å; L47-Y74 HydrophobicContact CD1-CE2 3.92Å; L47-Y74 HydrophobicContact CD1-CG 3.77Å; L47-Y74 HydrophobicContact CG-CD2 4.21Å; L47-Y74 HydrophobicContact CG-CG 4.24Å; L47-Y74 PolarHBondContact N-O 2.76Å; L47-Y74 WeakPolarHBondContact O-CB 3.43Å; L47-Y74 PolarHBondContact O-N 3.18Å; L47-F80 HydrophobicContact CD2-CD1 4.05Å; L47-F80 HydrophobicContact CD2-CE1 3.58Å; L47-F80 HydrophobicContact CD2-CE2 4.41Å; L47-F80 HydrophobicContact CD2-CZ 3.79Å; L47-F80 HydrophobicContact CG-CD1 4.38Å; L47-F80 HydrophobicContact CG-CE1 3.77Å; L47-F80 HydrophobicContact CG-CZ 4.29Å; L47-M91 HydrophobicContact CD2-CE 3.42Å; L47-M91 VanDerWaalsContact CD2-CE 3.42Å; L47-M91 HydrophobicContact CD2-SD 4.27Å
48	R	98	Very high	96.6	Very high	84 Å²	84	36.8 Å²	36.8	32%	0.317	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.9	170.2	-61	-176	-178.3	170	-4.4	109.4	I14 I15 F22 G72 E73	I14-R48 CarbonylContact C-O 3.56Å; I14-R48 WeakPolarHBondContact CA-O 3.49Å; I15-R48 PolarHBondContact N-O 3.43Å; I15-R48 PolarHBondContact O-N 3.17Å; F22-R48 HydrophobicContact CD1-CG 3.77Å; F22-R48 HydrophobicContact CE1-CG 3.71Å; F22-R48 HydrophobicContact CZ-CG 4.4Å; R48-G72 WeakPolarHBondContact CA-O 3.49Å; R48-E73 HydrophobicContact CG-CG 4.17Å; R48-E73 IonicContact CZ-OE1 3.64Å; R48-E73 IonicContact NE-OE1 3.6Å; R48-E73 PolarHBondContact NE-OE1 3.19Å; R48-E73 IonicContact NH2-OE1 2.76Å
49	V	97.5	Very high	96.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.2	169.7	-178.6	0	0	0	0	107	I14 L47 G52 L69 E70 R71 G72 Y74	I14-V49 HydrophobicContact CD1-CG2 4.18Å; I14-V49 HydrophobicContact CG1-CG2 4.15Å; L47-V49 HydrophobicContact CD1-CG2 3.76Å; V49-G52 WeakPolarHBondContact CG1-O 3.31Å; V49-L69 HydrophobicContact CG2-CB 4.02Å; V49-E70 VanDerWaalsContact CB-O 3.3Å; V49-E70 WeakPolarHBondContact CB-O 3.46Å; V49-E70 WeakPolarHBondContact CG2-O 3.47Å; V49-R71 WeakPolarHBondContact O-CG 3.33Å; V49-G72 PolarHBondContact N-O 2.97Å; V49-G72 PolarHBondContact O-N 2.69Å; V49-G72 VanDerWaalsContact O-N 3.1Å; V49-Y74 HydrophobicContact CG2-CE2 4.07Å
50	E	96.4	Very high	96.6	Very high	84 Å²	84	31.3 Å²	31.3	39%	0.393	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-33.4	179.3	-68.6	-165.9	172.3	0	0	111.5	K13 I15 R71	K13-E50 HydrophobicContact CB-CB 4.21Å; K13-E50 HydrophobicContact CD-CB 4.21Å; K13-E50 HydrophobicContact CD-CG 4.45Å; K13-E50 WeakPolarHBondContact CD-OE2 3.37Å; K13-E50 VanDerWaalsContact CE-CD 3.4Å; K13-E50 WeakPolarHBondContact CE-OE2 3.33Å; K13-E50 HydrophobicContact CG-CB 4.16Å; K13-E50 IonicContact NZ-OE1 3.37Å; K13-E50 IonicContact NZ-OE2 2.98Å; K13-E50 PolarHBondContact NZ-OE2 3.47Å; K13-E50 PolarHBondContact O-N 3.17Å; I15-E50 HydrophobicContact CD1-CG 4.27Å; I15-E50 WeakPolarHBondContact CD1-OE1 3.5Å; E50-R71 PolarHBondContact O-NE 3.48Å
51	S	94.8	Very high	96.7	Very high	33 Å²	33	33.2 Å²	33.2	23%	0.231	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	143.5	-179.6	54.2	0	0	0	0	113.2	H11 K13 W54	H11-S51 WeakPolarHBondContact O-CB 3.46Å; H11-S51 PolarHBondContact O-OG 3.15Å; K13-S51 WeakPolarHBondContact CB-OG 3.24Å; K13-S51 PolarHBondContact N-O 3.08Å; K13-S51 PolarHBondContact N-OG 3.02Å; K13-S51 PolarHBondContact O-N 2.79Å; S51-W54 PolarHBondContact O-NE1 3.08Å
52	G	93.8	Very high	96.6	Very high	9 Å²	9	35 Å²	35	9%	0.093	18%	0.175	C	C	.	.	S	Bend	trans	83.5	177.4	179.8	0	0	0	0	0	113.4	V49 Q196	V49-G52 WeakPolarHBondContact CG1-O 3.31Å; G52-Q196 PolarHBondContact N-OXT 3.1Å
53	A	95.6	Very high	96.7	Very high	1 Å²	1	31 Å²	31	1%	0.008	16%	0.156	C	C	.	.			trans	-105.8	142.5	168.1	0	0	0	0	0	109.8	I97 A100 I194 Q195	A53-I97 HydrophobicContact CB-CB 4.2Å; A53-I97 HydrophobicContact CB-CD1 4.28Å; A53-I97 PolarHBondContact O-N 2.98Å; A53-A100 HydrophobicContact CB-CB 3.77Å; A53-I194 HydrophobicContact CB-CG2 3.48Å; A53-I194 VanDerWaalsContact CB-CG2 3.48Å; A53-Q195 WeakPolarHBondContact CB-O 3.45Å
54	W	97.6	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.5	-179.5	-62.8	74.7	0	0	0	109.6	W12 I14 F29 S31 S51 L69 F94 R95 P96	W12-W54 HydrophobicContact CB-CH2 4.41Å; W12-W54 HydrophobicContact CB-CZ2 3.61Å; I14-W54 HydrophobicContact CB-CD2 4.05Å; I14-W54 HydrophobicContact CB-CE3 4.45Å; I14-W54 HydrophobicContact CB-CG 4.47Å; I14-W54 HydrophobicContact CB-CH2 4.44Å; I14-W54 HydrophobicContact CB-CZ2 4.02Å; I14-W54 HydrophobicContact CD1-CD2 4.45Å; I14-W54 HydrophobicContact CD1-CG 4.37Å; I14-W54 HydrophobicContact CG2-CD2 3.9Å; I14-W54 HydrophobicContact CG2-CE3 3.81Å; I14-W54 HydrophobicContact CG2-CH2 3.59Å; I14-W54 HydrophobicContact CG2-CZ2 3.67Å; I14-W54 HydrophobicContact CG2-CZ3 3.66Å; F29-W54 HydrophobicContact CB-CH2 4.47Å; S31-W54 WeakPolarHBondContact O-CH2 3.5Å; S31-W54 WeakPolarHBondContact O-CZ3 3.35Å; S51-W54 PolarHBondContact O-NE1 3.08Å; W54-L69 HydrophobicContact CB-CB 4.01Å; W54-L69 PolarHBondContact N-O 2.75Å; W54-L69 PolarHBondContact O-N 3.16Å; W54-F94 AromaticContact CE3-CD2 3.84Å; W54-F94 HydrophobicContact CE3-CD2 3.84Å; W54-F94 AromaticContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CE2 4.18Å; W54-R95 CarbonylContact C-O 3.59Å; W54-R95 WeakPolarHBondContact CA-O 3.45Å; W54-P96 HydrophobicContact CD2-CB 4.49Å; W54-P96 HydrophobicContact CE3-CB 4.42Å; W54-P96 HydrophobicContact CZ3-CB 4.5Å
55	V	97.5	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.1	165.3	52.1	0	0	0	0	108.7	Y57 Q66 F67 F94 R95 I97 I163	V55-Y57 HydrophobicContact CB-CE2 4.29Å; V55-Y57 HydrophobicContact CG1-CE2 3.67Å; V55-Y57 HydrophobicContact CG2-CD2 4.38Å; V55-Y57 HydrophobicContact CG2-CE1 4.22Å; V55-Y57 HydrophobicContact CG2-CE2 3.81Å; V55-Q66 HydrophobicContact CG2-CB 4.17Å; V55-Q66 HydrophobicContact CG2-CG 4.41Å; V55-F67 CarbonylContact C-O 3.59Å; V55-F67 WeakPolarHBondContact CA-O 3.32Å; V55-F94 CarbonylContact O-C 3.42Å; V55-F94 WeakPolarHBondContact O-CA 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.49Å; V55-R95 HydrophobicContact CG1-CG 3.55Å; V55-R95 VanDerWaalsContact CG1-CZ 3.45Å; V55-R95 PolarHBondContact N-O 2.75Å; V55-R95 PolarHBondContact O-N 3.13Å; V55-I97 HydrophobicContact CB-CD1 4.1Å; V55-I97 HydrophobicContact CB-CG1 4.21Å; V55-I97 HydrophobicContact CG1-CD1 4.48Å; V55-I97 HydrophobicContact CG1-CG1 4.07Å; V55-I163 HydrophobicContact CB-CG1 4.13Å; V55-I163 HydrophobicContact CG2-CB 4.46Å; V55-I163 HydrophobicContact CG2-CG1 3.67Å
56	G	97.3	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.7	169.5	0	0	0	0	0	111.5	Q66 F67 M91	G56-Q66 CarbonylContact O-C 3.5Å; G56-Q66 WeakPolarHBondContact O-CA 3.39Å; G56-F67 PolarHBondContact N-O 3.43Å; G56-F67 PolarHBondContact O-N 3.45Å; G56-M91 VanDerWaalsContact CA-SD 3.57Å
57	Y	97.2	Very high	96.4	Very high	6 Å²	6	27 Å²	27	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.9	179.1	-63.3	-91.3	0	0	0	111.2	V55 H59 Y62 Q65 Q66 M91 T92 S93 R95	V55-Y57 HydrophobicContact CB-CE2 4.29Å; V55-Y57 HydrophobicContact CG1-CE2 3.67Å; V55-Y57 HydrophobicContact CG2-CD2 4.38Å; V55-Y57 HydrophobicContact CG2-CE1 4.22Å; V55-Y57 HydrophobicContact CG2-CE2 3.81Å; Y57-H59 VanDerWaalsContact C-N 3.27Å; Y57-H59 PolarHBondContact O-N 3.41Å; Y57-Y62 WeakPolarHBondContact CD1-O 3.29Å; Y57-Y62 AromaticContact CD2-CD1 3.83Å; Y57-Y62 HydrophobicContact CD2-CD1 3.83Å; Y57-Y62 HydrophobicContact CD2-CG 4.37Å; Y57-Y62 WeakPolarHBondContact CE1-O 3.46Å; Y57-Y62 AromaticContact CE2-CD1 3.79Å; Y57-Y62 HydrophobicContact CE2-CD1 3.79Å; Y57-Y62 HydrophobicContact CE2-CG 4.14Å; Y57-Q65 VanDerWaalsContact CA-O 3.31Å; Y57-Q65 WeakPolarHBondContact CA-O 3.47Å; Y57-Q66 HydrophobicContact CD1-CG 3.87Å; Y57-Q66 HydrophobicContact CE1-CG 3.62Å; Y57-M91 WeakPolarHBondContact O-CA 3.33Å; Y57-M91 WeakPolarHBondContact O-CG 3.48Å; Y57-T92 PolarHBondContact O-N 2.94Å; Y57-S93 WeakPolarHBondContact CB-OG 3.44Å; Y57-S93 PolarHBondContact N-O 2.96Å; Y57-S93 PolarHBondContact O-N 2.91Å; Y57-R95 HydrophobicContact CE2-CG 4.16Å; Y57-R95 PolarHBondContact OH-NE 3.32Å; Y57-R95 PolarHBondContact OH-NH2 2.95Å
58	E	95.1	Very high	96.3	Very high	22 Å²	22	27.3 Å²	27.3	10%	0.103	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	-41.3	177.7	-169.8	-168.1	166.7	0	0	112.1	Q65 F67 Y86 R90 T92	E58-Q65 HydrophobicContact CB-CB 4.1Å; E58-Q65 PolarHBondContact N-O 2.84Å; E58-Q65 PolarHBondContact OE2-N 2.82Å; E58-F67 HydrophobicContact CB-CE2 4.43Å; E58-Y86 PolarHBondContact OE2-OH 2.81Å; E58-R90 HydrophobicContact CG-CG 3.75Å; E58-R90 IonicContact OE1-CZ 3.86Å; E58-R90 IonicContact OE1-NE 3.15Å; E58-R90 PolarHBondContact OE1-NE 2.86Å; E58-R90 IonicContact OE1-NH2 3.09Å; E58-T92 PolarHBondContact O-OG1 2.98Å
59	H	96.8	Very high	96.2	Very high	66 Å²	66	23.3 Å²	23.3	31%	0.306	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	163.3	-176.2	-56.8	-29.8	0	0	0	112.4	Y57 Q63 R90 T92 S93	Y57-H59 VanDerWaalsContact C-N 3.27Å; Y57-H59 PolarHBondContact O-N 3.41Å; H59-Q63 HydrophobicContact CB-CB 4.02Å; H59-Q63 WeakPolarHBondContact CB-O 3.35Å; H59-Q63 PolarHBondContact N-O 3.24Å; H59-R90 VanDerWaalsContact CE1-CZ 3.46Å; H59-R90 PolarHBondContact CE1-NH2 3.18Å; H59-T92 WeakPolarHBondContact CA-OG1 3.47Å; H59-S93 PolarHBondContact O-OG 2.99Å
60	A	97.6	Very high	96.1	Very high	28 Å²	28	24.5 Å²	24.5	23%	0.231	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	163.8	171.4	0	0	0	0	0	111.3	C34 N35 Y62 Q63 T92	C34-A60 CarbonylContact O-C 3.46Å; C34-A60 WeakPolarHBondContact O-CA 3.34Å; N35-A60 HydrophobicContact CB-CB 4.16Å; A60-Y62 PolarHBondContact O-N 3.13Å; A60-Q63 PolarHBondContact O-N 3.01Å; A60-T92 PolarHBondContact N-OG1 2.76Å
61	S	97.7	Very high	96	Very high	76 Å²	76	29.3 Å²	29.3	53%	0.531	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	32.9	179.3	-55.2	0	0	0	0	113.5	C34 Q63	C34-S61 PolarHBondContact O-N 3.27Å; S61-Q63 VanDerWaalsContact C-N 3.34Å; S61-Q63 WeakPolarHBondContact O-CG 3.37Å; S61-Q63 PolarHBondContact O-N 3.17Å; S61-Q63 PolarHBondContact O-NE2 2.99Å
62	Y	97.3	Very high	96.1	Very high	42 Å²	42	29 Å²	29	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	40.5	175.3	-40.8	-57.6	0	0	0	113.1	E32 C34 Y57 A60 S93 R95	E32-Y62 WeakPolarHBondContact CB-OH 3.48Å; E32-Y62 WeakPolarHBondContact CG-OH 3.33Å; E32-Y62 PolarHBondContact OE1-OH 2.94Å; C34-Y62 HydrophobicContact CB-CE1 4.34Å; C34-Y62 HydrophobicContact CB-CE2 4.3Å; Y57-Y62 WeakPolarHBondContact CD1-O 3.29Å; Y57-Y62 AromaticContact CD2-CD1 3.83Å; Y57-Y62 HydrophobicContact CD2-CD1 3.83Å; Y57-Y62 HydrophobicContact CD2-CG 4.37Å; Y57-Y62 WeakPolarHBondContact CE1-O 3.46Å; Y57-Y62 AromaticContact CE2-CD1 3.79Å; Y57-Y62 HydrophobicContact CE2-CD1 3.79Å; Y57-Y62 HydrophobicContact CE2-CG 4.14Å; A60-Y62 PolarHBondContact O-N 3.13Å; Y62-S93 WeakPolarHBondContact CA-OG 3.43Å; Y62-S93 PolarHBondContact N-OG 2.9Å; Y62-S93 VanDerWaalsContact N-OG 3.08Å; Y62-R95 HydrophobicContact CE1-CB 4.18Å
63	Q	96.9	Very high	96.2	Very high	88 Å²	88	34.5 Å²	34.5	41%	0.411	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	163.7	-178.1	-58.1	-56.8	-60.2	0	0	112.2	H59 A60 S61 S181	H59-Q63 HydrophobicContact CB-CB 4.02Å; H59-Q63 WeakPolarHBondContact CB-O 3.35Å; H59-Q63 PolarHBondContact N-O 3.24Å; A60-Q63 PolarHBondContact O-N 3.01Å; S61-Q63 VanDerWaalsContact C-N 3.34Å; S61-Q63 WeakPolarHBondContact O-CG 3.37Å; S61-Q63 PolarHBondContact O-N 3.17Å; S61-Q63 PolarHBondContact O-NE2 2.99Å; Q63-S181 PolarHBondContact OE1-OG 3.17Å
64	G	94.9	Very high	96.2	Very high	7 Å²	7	35.8 Å²	35.8	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.6	-157.2	177.3	0	0	0	0	0	112.1	S181 H182	G64-S181 PolarHBondContact N-OG 3.18Å; G64-H182 PolarHBondContact O-ND1 2.87Å
65	Q	94.1	Very high	96.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.5	179.9	-172.8	53	39.6	0	0	111.6	Y57 E58 F67 Y86 Q161 H182	Y57-Q65 VanDerWaalsContact CA-O 3.31Å; Y57-Q65 WeakPolarHBondContact CA-O 3.47Å; E58-Q65 HydrophobicContact CB-CB 4.1Å; E58-Q65 PolarHBondContact N-O 2.84Å; E58-Q65 PolarHBondContact OE2-N 2.82Å; Q65-F67 HydrophobicContact CB-CE1 4.05Å; Q65-F67 HydrophobicContact CB-CZ 3.75Å; Q65-F67 HydrophobicContact CG-CD1 4.19Å; Q65-F67 HydrophobicContact CG-CE1 3.37Å; Q65-F67 HydrophobicContact CG-CZ 3.63Å; Q65-Y86 HydrophobicContact CB-CE1 3.93Å; Q65-Y86 HydrophobicContact CG-CD1 3.98Å; Q65-Y86 HydrophobicContact CG-CE1 3.9Å; Q65-Q161 VanDerWaalsContact NE2-N 3.15Å; Q65-Q161 PolarHBondContact NE2-O 2.78Å; Q65-H182 PolarHBondContact NE2-NE2 3.2Å; Q65-H182 PolarHBondContact OE1-CD2 2.86Å; Q65-H182 PolarHBondContact OE1-NE2 3.16Å
66	Q	95.5	Very high	95.8	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.9	175.4	-63.8	171.7	41	0	0	110.8	V55 G56 Y57 I163 F179 G180	V55-Q66 HydrophobicContact CG2-CB 4.17Å; V55-Q66 HydrophobicContact CG2-CG 4.41Å; G56-Q66 CarbonylContact O-C 3.5Å; G56-Q66 WeakPolarHBondContact O-CA 3.39Å; Y57-Q66 HydrophobicContact CD1-CG 3.87Å; Y57-Q66 HydrophobicContact CE1-CG 3.62Å; Q66-I163 HydrophobicContact CB-CG1 4.34Å; Q66-F179 PolarHBondContact NE2-O 2.67Å; Q66-G180 VanDerWaalsContact NE2-CA 3.27Å
67	F	94.6	Very high	95.3	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.3	177.2	-44.3	-68.3	0	0	0	109.8	V55 G56 E58 Q65 L69 F80 Y86 I88 M91	V55-F67 CarbonylContact C-O 3.59Å; V55-F67 WeakPolarHBondContact CA-O 3.32Å; G56-F67 PolarHBondContact N-O 3.43Å; G56-F67 PolarHBondContact O-N 3.45Å; E58-F67 HydrophobicContact CB-CE2 4.43Å; Q65-F67 HydrophobicContact CB-CE1 4.05Å; Q65-F67 HydrophobicContact CB-CZ 3.75Å; Q65-F67 HydrophobicContact CG-CD1 4.19Å; Q65-F67 HydrophobicContact CG-CE1 3.37Å; Q65-F67 HydrophobicContact CG-CZ 3.63Å; F67-L69 HydrophobicContact CB-CD2 4.45Å; F67-F80 HydrophobicContact CB-CB 4.13Å; F67-F80 HydrophobicContact CD1-CB 4.5Å; F67-F80 HydrophobicContact CG-CB 4.24Å; F67-Y86 HydrophobicContact CE1-CD1 4.46Å; F67-I88 HydrophobicContact CD1-CD1 3.51Å; F67-I88 HydrophobicContact CD1-CG1 4.24Å; F67-I88 HydrophobicContact CE1-CB 4.41Å; F67-I88 HydrophobicContact CE1-CD1 3.33Å; F67-I88 HydrophobicContact CE1-CG1 3.53Å; F67-I88 HydrophobicContact CE1-CG2 4.04Å; F67-I88 HydrophobicContact CE2-CG2 4.14Å; F67-I88 HydrophobicContact CG-CD1 4.41Å; F67-I88 HydrophobicContact CZ-CB 4.44Å; F67-I88 HydrophobicContact CZ-CD1 4.12Å; F67-I88 HydrophobicContact CZ-CG1 4.01Å; F67-I88 HydrophobicContact CZ-CG2 3.69Å; F67-M91 HydrophobicContact CD2-CG 4.46Å
68	V	95.8	Very high	94.7	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.1	170.7	70.9	0	0	0	0	109.8	E70 V150 I163 R192 I194	V68-E70 HydrophobicContact CG2-CG 4.03Å; V68-V150 HydrophobicContact CB-CB 4.5Å; V68-V150 HydrophobicContact CB-CG2 4.47Å; V68-V150 HydrophobicContact CG1-CG1 4.37Å; V68-V150 HydrophobicContact CG1-CG2 4.41Å; V68-I163 HydrophobicContact CB-CD1 3.84Å; V68-I163 HydrophobicContact CG2-CD1 4.24Å; V68-R192 VanDerWaalsContact CG1-NH2 3.31Å; V68-I194 HydrophobicContact CG2-CD1 3.93Å; V68-I194 HydrophobicContact CG2-CG1 4.02Å; V68-I194 HydrophobicContact CG2-CG2 4.08Å
69	L	96.3	Very high	94.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	95.9	-178.8	-57.5	175.8	0	0	0	108.2	I14 L47 V49 W54 F67 Y74 F80 M91	I14-L69 HydrophobicContact CD1-CD1 4.06Å; L47-L69 HydrophobicContact CD1-CD1 4.45Å; L47-L69 HydrophobicContact CD1-CD2 4.41Å; L47-L69 HydrophobicContact CD2-CD1 3.79Å; L47-L69 HydrophobicContact CD2-CD2 4.18Å; V49-L69 HydrophobicContact CG2-CB 4.02Å; W54-L69 HydrophobicContact CB-CB 4.01Å; W54-L69 PolarHBondContact N-O 2.75Å; W54-L69 PolarHBondContact O-N 3.16Å; F67-L69 HydrophobicContact CB-CD2 4.45Å; L69-Y74 HydrophobicContact CD2-CD1 4.4Å; L69-Y74 HydrophobicContact CD2-CE1 4.1Å; L69-F80 HydrophobicContact CD2-CB 4.03Å; L69-F80 HydrophobicContact CD2-CD1 4.2Å; L69-F80 HydrophobicContact CD2-CG 4.21Å; L69-M91 HydrophobicContact CD1-CE 4.41Å; L69-M91 HydrophobicContact CD1-SD 3.9Å
70	E	95.4	Very high	93.5	Very high	29 Å²	29	43.5 Å²	43.5	14%	0.136	23%	0.23	C	C	.	.			trans	-92.8	170.8	178.3	-62.3	171.3	135.2	0	0	109.3	V49 V68 G72 Y74 R192 I194 Q195	V49-E70 VanDerWaalsContact CB-O 3.3Å; V49-E70 WeakPolarHBondContact CB-O 3.46Å; V49-E70 WeakPolarHBondContact CG2-O 3.47Å; V68-E70 HydrophobicContact CG2-CG 4.03Å; E70-G72 PolarHBondContact O-N 3.49Å; E70-G72 VanDerWaalsContact O-N 3.16Å; E70-Y74 PolarHBondContact N-OH 2.66Å; E70-Y74 WeakPolarHBondContact O-CE2 3.42Å; E70-Y74 PolarHBondContact O-OH 2.87Å; E70-Y74 VanDerWaalsContact O-OH 3.08Å; E70-R192 VanDerWaalsContact CD-NH1 3.32Å; E70-R192 IonicContact OE1-CZ 2.76Å; E70-R192 IonicContact OE1-NH1 3.55Å; E70-R192 PolarHBondContact OE1-NH1 3.07Å; E70-R192 IonicContact OE1-NH2 2.62Å; E70-R192 IonicContact OE2-CZ 3.71Å; E70-R192 IonicContact OE2-NH1 3.11Å; E70-R192 PolarHBondContact OE2-NH1 3.48Å; E70-R192 VanDerWaalsContact OE2-NH1 3.13Å; E70-R192 IonicContact OE2-NH2 3.28Å; E70-R192 PolarHBondContact OE2-NH2 2.87Å; E70-I194 HydrophobicContact CG-CG2 4.32Å; E70-I194 WeakPolarHBondContact OE1-CA 3.36Å; E70-Q195 WeakPolarHBondContact CG-O 3.49Å; E70-Q195 PolarHBondContact OE1-N 3.14Å
71	R	95.1	Very high	92.2	Very high	185 Å²	185	42.7 Å²	42.7	70%	0.698	22%	0.224	S	C	*	.	S	Bend	trans	-52.5	124.3	179.2	-174.1	179.4	179.2	165.1	2	111.6	V49 E50	V49-R71 WeakPolarHBondContact O-CG 3.33Å; E50-R71 PolarHBondContact O-NE 3.48Å
72	G	95.4	Very high	90.6	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-174.1	-177	0	0	0	0	0	114.1	R48 V49 E70	R48-G72 WeakPolarHBondContact CA-O 3.49Å; V49-G72 PolarHBondContact N-O 2.97Å; V49-G72 PolarHBondContact O-N 2.69Å; V49-G72 VanDerWaalsContact O-N 3.1Å; E70-G72 PolarHBondContact O-N 3.49Å; E70-G72 VanDerWaalsContact O-N 3.16Å
73	E	96.8	Very high	88.5	Confident	123 Å²	123	42 Å²	42	58%	0.575	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.1	179.2	-64.2	-163.5	152.1	0	0	110.3	F22 R48	F22-E73 HydrophobicContact CE1-CB 4.41Å; F22-E73 HydrophobicContact CE2-CB 4.44Å; F22-E73 HydrophobicContact CZ-CB 3.73Å; F22-E73 HydrophobicContact CZ-CG 4.42Å; R48-E73 HydrophobicContact CG-CG 4.17Å; R48-E73 IonicContact CZ-OE1 3.64Å; R48-E73 IonicContact NE-OE1 3.6Å; R48-E73 PolarHBondContact NE-OE1 3.19Å; R48-E73 IonicContact NH2-OE1 2.76Å
74	Y	95.8	Very high	86.5	Confident	28 Å²	28	45.7 Å²	45.7	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	89	-176.6	-61.9	-100.4	0	0	0	108.7	F22 S46 L47 V49 L69 E70 Q76 A79 F80	F22-Y74 WeakPolarHBondContact CE1-O 3.37Å; S46-Y74 CarbonylContact C-O 3.55Å; S46-Y74 VanDerWaalsContact CA-O 3.26Å; S46-Y74 WeakPolarHBondContact CA-O 3.14Å; S46-Y74 VanDerWaalsContact CB-O 3.24Å; S46-Y74 WeakPolarHBondContact CB-O 3.46Å; L47-Y74 HydrophobicContact CD1-CD2 3.29Å; L47-Y74 HydrophobicContact CD1-CE2 3.92Å; L47-Y74 HydrophobicContact CD1-CG 3.77Å; L47-Y74 HydrophobicContact CG-CD2 4.21Å; L47-Y74 HydrophobicContact CG-CG 4.24Å; L47-Y74 PolarHBondContact N-O 2.76Å; L47-Y74 WeakPolarHBondContact O-CB 3.43Å; L47-Y74 PolarHBondContact O-N 3.18Å; V49-Y74 HydrophobicContact CG2-CE2 4.07Å; L69-Y74 HydrophobicContact CD2-CD1 4.4Å; L69-Y74 HydrophobicContact CD2-CE1 4.1Å; E70-Y74 PolarHBondContact N-OH 2.66Å; E70-Y74 WeakPolarHBondContact O-CE2 3.42Å; E70-Y74 PolarHBondContact O-OH 2.87Å; E70-Y74 VanDerWaalsContact O-OH 3.08Å; Y74-Q76 PolarHBondContact O-N 3.11Å; Y74-A79 HydrophobicContact CD1-CB 3.98Å; Y74-A79 WeakPolarHBondContact CD1-O 3.21Å; Y74-A79 WeakPolarHBondContact CE1-O 3.22Å; Y74-F80 AromaticContact CD1-CD1 3.83Å; Y74-F80 HydrophobicContact CD1-CD1 3.83Å; Y74-F80 HydrophobicContact CG-CD1 4.08Å; Y74-F80 HydrophobicContact CG-CE1 4.4Å
75	P	95.1	Very high	84.8	Confident	51 Å²	51	48 Å²	48	33%	0.331	28%	0.278	S	S	.	.			trans	-73.5	-12.7	-169.7	28.8	-35.6	0	0	0	114.1	E20 C21 F22 S46	E20-P75 CarbonylContact C-O 3.57Å; E20-P75 WeakPolarHBondContact CA-O 2.97Å; C21-P75 PolarHBondContact N-O 2.62Å; F22-P75 HydrophobicContact CE2-CB 4.1Å; F22-P75 HydrophobicContact CZ-CB 3.84Å; S46-P75 VanDerWaalsContact CB-O 3.31Å; S46-P75 WeakPolarHBondContact CB-O 3.31Å
76	Q	91.8	Very high	83.6	Confident	86 Å²	86	51.2 Å²	51.2	40%	0.402	29%	0.29	S	S	.	.	S	Bend	trans	-155.4	163	179.5	63.6	-174.1	6.8	0	0	110.4	E20 R45 Y74 D78 A79	E20-Q76 HydrophobicContact CG-CB 4.25Å; R45-Q76 CarbonylContact O-C 3.57Å; R45-Q76 VanDerWaalsContact O-CA 3.3Å; R45-Q76 WeakPolarHBondContact O-CA 3.5Å; Y74-Q76 PolarHBondContact O-N 3.11Å; Q76-D78 VanDerWaalsContact C-N 3.28Å; Q76-D78 HydrophobicContact CG-CB 4.37Å; Q76-D78 PolarHBondContact O-N 2.9Å; Q76-A79 VanDerWaalsContact O-CB 3.24Å; Q76-A79 WeakPolarHBondContact O-CB 3.38Å; Q76-A79 PolarHBondContact O-N 3.02Å
77	C	86.1	Confident	82.7	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.047	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.3	-39.1	-177.1	-65	0	0	0	0	113.9	R45 A79 F80 I88	R45-C77 PolarHBondContact O-N 3.25Å; C77-A79 PolarHBondContact O-N 3.24Å; C77-A79 VanDerWaalsContact O-N 3.13Å; C77-F80 HydrophobicContact CB-CD2 4.39Å; C77-F80 HydrophobicContact CB-CE2 4.1Å; C77-F80 VanDerWaalsContact O-CB 3.31Å; C77-F80 WeakPolarHBondContact O-CB 3.26Å; C77-F80 WeakPolarHBondContact O-CD2 3.49Å; C77-F80 WeakPolarHBondContact O-CG 3.35Å; C77-F80 PolarHBondContact O-N 3Å; C77-I88 HydrophobicContact CB-CB 4.13Å; C77-I88 HydrophobicContact CB-CG2 4.04Å; C77-I88 WeakPolarHBondContact CB-O 3.41Å; C77-I88 WeakPolarHBondContact O-CD1 3.33Å
78	D	85.4	Confident	82.1	Confident	74 Å²	74	57 Å²	57	40%	0.396	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.4	179.2	-72.5	-18.3	0	0	0	113	Q76 F80 G81	Q76-D78 VanDerWaalsContact C-N 3.28Å; Q76-D78 HydrophobicContact CG-CB 4.37Å; Q76-D78 PolarHBondContact O-N 2.9Å; D78-F80 PolarHBondContact O-N 3.01Å; D78-G81 PolarHBondContact O-N 2.82Å
79	A	84.1	Confident	81.3	Confident	36 Å²	36	62.4 Å²	62.4	30%	0.298	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-67.3	-22.8	176.2	0	0	0	0	0	112.3	Y74 Q76 C77 G81	Y74-A79 HydrophobicContact CD1-CB 3.98Å; Y74-A79 WeakPolarHBondContact CD1-O 3.21Å; Y74-A79 WeakPolarHBondContact CE1-O 3.22Å; Q76-A79 VanDerWaalsContact O-CB 3.24Å; Q76-A79 WeakPolarHBondContact O-CB 3.38Å; Q76-A79 PolarHBondContact O-N 3.02Å; C77-A79 PolarHBondContact O-N 3.24Å; C77-A79 VanDerWaalsContact O-N 3.13Å; A79-G81 VanDerWaalsContact C-N 3.27Å; A79-G81 PolarHBondContact O-N 3.04Å
80	F	82.1	Confident	81	Confident	3 Å²	3	67.6 Å²	67.6	1%	0.013	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-69.9	-27.5	-179.6	-48.3	-19.3	0	0	0	111.7	V44 L47 F67 L69 Y74 C77 D78 I88 M91	V44-F80 HydrophobicContact CG1-CZ 4.3Å; L47-F80 HydrophobicContact CD2-CD1 4.05Å; L47-F80 HydrophobicContact CD2-CE1 3.58Å; L47-F80 HydrophobicContact CD2-CE2 4.41Å; L47-F80 HydrophobicContact CD2-CZ 3.79Å; L47-F80 HydrophobicContact CG-CD1 4.38Å; L47-F80 HydrophobicContact CG-CE1 3.77Å; L47-F80 HydrophobicContact CG-CZ 4.29Å; F67-F80 HydrophobicContact CB-CB 4.13Å; F67-F80 HydrophobicContact CD1-CB 4.5Å; F67-F80 HydrophobicContact CG-CB 4.24Å; L69-F80 HydrophobicContact CD2-CB 4.03Å; L69-F80 HydrophobicContact CD2-CD1 4.2Å; L69-F80 HydrophobicContact CD2-CG 4.21Å; Y74-F80 AromaticContact CD1-CD1 3.83Å; Y74-F80 HydrophobicContact CD1-CD1 3.83Å; Y74-F80 HydrophobicContact CG-CD1 4.08Å; Y74-F80 HydrophobicContact CG-CE1 4.4Å; C77-F80 HydrophobicContact CB-CD2 4.39Å; C77-F80 HydrophobicContact CB-CE2 4.1Å; C77-F80 VanDerWaalsContact O-CB 3.31Å; C77-F80 WeakPolarHBondContact O-CB 3.26Å; C77-F80 WeakPolarHBondContact O-CD2 3.49Å; C77-F80 WeakPolarHBondContact O-CG 3.35Å; C77-F80 PolarHBondContact O-N 3Å; D78-F80 PolarHBondContact O-N 3.01Å; F80-I88 HydrophobicContact CB-CD1 3.86Å; F80-I88 HydrophobicContact CD2-CG2 4.08Å; F80-M91 HydrophobicContact CD2-CB 4.49Å; F80-M91 HydrophobicContact CD2-SD 4.41Å; F80-M91 HydrophobicContact CE2-CB 4.19Å; F80-M91 HydrophobicContact CE2-CE 4.39Å; F80-M91 HydrophobicContact CE2-SD 4.43Å
81	G	71.2	Confident	81	Confident	11 Å²	11	66.2 Å²	66.2	11%	0.113	36%	0.355	C	S	.	.	S	Bend	trans	-87.4	-17	-170.1	0	0	0	0	0	115.5	D78 A79 S83 Q161	D78-G81 PolarHBondContact O-N 2.82Å; A79-G81 VanDerWaalsContact C-N 3.27Å; A79-G81 PolarHBondContact O-N 3.04Å; G81-S83 PolarHBondContact O-N 2.96Å; G81-Q161 PolarHBondContact O-NE2 3.08Å
82	G	62.3	Low	81.1	Confident	73 Å²	73	58 Å²	58	75%	0.753	33%	0.326	S	S	*	.	S	Bend	trans	65.1	-18.2	-178.8	0	0	0	0	0	116.2
83	S	54.6	Low	81.3	Confident	30 Å²	30	56.7 Å²	56.7	21%	0.21	31%	0.312	C	S	.	.	S	Bend	trans	-161.1	130.4	177.7	130.7	0	0	0	0	111.5	G81 A85 R158	G81-S83 PolarHBondContact O-N 2.96Å; S83-A85 PolarHBondContact O-N 2.68Å; S83-R158 WeakPolarHBondContact OG-CA 3.32Å; S83-R158 WeakPolarHBondContact OG-CB 3.1Å; S83-R158 WeakPolarHBondContact OG-CG 3.12Å
84	N	55.3	Low	81.4	Confident	165 Å²	165	50.9 Å²	50.9	88%	0.882	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	38.9	179.9	-68.2	-7.1	0	0	0	118.9
85	A	57.6	Low	81.5	Confident	57 Å²	57	50.5 Å²	50.5	47%	0.471	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-24.6	178.9	0	0	0	0	0	113.2	S83 G159	S83-A85 PolarHBondContact O-N 2.68Å; A85-G159 VanDerWaalsContact CB-CA 3.48Å
86	Y	69.8	Low	81.5	Confident	71 Å²	71	49 Å²	49	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	-131.5	122.8	178.8	-173.2	-96.5	0	0	0	109.2	E58 Q65 F67 I88 Y160	E58-Y86 PolarHBondContact OE2-OH 2.81Å; Q65-Y86 HydrophobicContact CB-CE1 3.93Å; Q65-Y86 HydrophobicContact CG-CD1 3.98Å; Q65-Y86 HydrophobicContact CG-CE1 3.9Å; F67-Y86 HydrophobicContact CE1-CD1 4.46Å; Y86-I88 HydrophobicContact CD1-CG1 4.02Å; Y86-I88 PolarHBondContact O-N 3.45Å; Y86-Y160 HydrophobicContact CD2-CD1 4.17Å; Y86-Y160 AromaticContact CD2-CE1 3.39Å; Y86-Y160 HydrophobicContact CD2-CE1 3.39Å; Y86-Y160 AromaticContact CE2-CE1 3.72Å; Y86-Y160 HydrophobicContact CE2-CE1 3.72Å; Y86-Y160 HydrophobicContact CG-CE1 4.18Å
87	H	75.9	Confident	81.7	Confident	127 Å²	127	45 Å²	45	59%	0.588	25%	0.254	S	S	*	.			trans	-75.3	116.2	176.2	-178.1	-93.7	0	0	0	109	E89	H87-E89 WeakPolarHBondContact ND1-CG 3.18Å; H87-E89 IonicContact ND1-OE1 3.8Å; H87-E89 PolarHBondContact O-N 2.93Å
88	I	81.4	Confident	82.1	Confident	6 Å²	6	47 Å²	47	3%	0.031	27%	0.272	C	S	.	.			trans	-91.4	100.9	-174.6	-57.5	175.9	0	0	0	108.4	F67 C77 F80 Y86	F67-I88 HydrophobicContact CD1-CD1 3.51Å; F67-I88 HydrophobicContact CD1-CG1 4.24Å; F67-I88 HydrophobicContact CE1-CB 4.41Å; F67-I88 HydrophobicContact CE1-CD1 3.33Å; F67-I88 HydrophobicContact CE1-CG1 3.53Å; F67-I88 HydrophobicContact CE1-CG2 4.04Å; F67-I88 HydrophobicContact CE2-CG2 4.14Å; F67-I88 HydrophobicContact CG-CD1 4.41Å; F67-I88 HydrophobicContact CZ-CB 4.44Å; F67-I88 HydrophobicContact CZ-CD1 4.12Å; F67-I88 HydrophobicContact CZ-CG1 4.01Å; F67-I88 HydrophobicContact CZ-CG2 3.69Å; C77-I88 HydrophobicContact CB-CB 4.13Å; C77-I88 HydrophobicContact CB-CG2 4.04Å; C77-I88 WeakPolarHBondContact CB-O 3.41Å; C77-I88 WeakPolarHBondContact O-CD1 3.33Å; F80-I88 HydrophobicContact CB-CD1 3.86Å; F80-I88 HydrophobicContact CD2-CG2 4.08Å; Y86-I88 HydrophobicContact CD1-CG1 4.02Å; Y86-I88 PolarHBondContact O-N 3.45Å
89	E	80.5	Confident	82.4	Confident	120 Å²	120	44.3 Å²	44.3	56%	0.561	26%	0.259	S	S	*	.			trans	-83.6	-28.9	-179.1	-67.3	-174.4	174.1	0	0	113.2	R45 H87	R45-E89 PolarHBondContact NH1-O 3.1Å; H87-E89 WeakPolarHBondContact ND1-CG 3.18Å; H87-E89 IonicContact ND1-OE1 3.8Å; H87-E89 PolarHBondContact O-N 2.93Å
90	R	89.6	Confident	82.6	Confident	109 Å²	109	42.8 Å²	42.8	41%	0.411	25%	0.246	S	C	.	.			trans	-155.9	151.2	-171.2	57.8	-177.6	156.1	-175.7	-11.8	112.6	T43 E58 H59	T43-R90 VanDerWaalsContact OG1-CA 3.28Å; T43-R90 WeakPolarHBondContact OG1-CA 3.33Å; E58-R90 HydrophobicContact CG-CG 3.75Å; E58-R90 IonicContact OE1-CZ 3.86Å; E58-R90 IonicContact OE1-NE 3.15Å; E58-R90 PolarHBondContact OE1-NE 2.86Å; E58-R90 IonicContact OE1-NH2 3.09Å; H59-R90 VanDerWaalsContact CE1-CZ 3.46Å; H59-R90 PolarHBondContact CE1-NH2 3.18Å
91	M	95.7	Very high	82.8	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.			trans	-138.7	121	165.8	-175.6	-175.4	69.5	0	0	107.7	T43 V44 L47 G56 Y57 F67 L69 F80 F94	T43-M91 PolarHBondContact OG1-N 3.31Å; T43-M91 PolarHBondContact OG1-O 2.81Å; V44-M91 HydrophobicContact CB-CB 4.45Å; V44-M91 HydrophobicContact CB-CE 3.5Å; V44-M91 VanDerWaalsContact CB-CE 3.5Å; V44-M91 HydrophobicContact CG1-CE 3.58Å; V44-M91 HydrophobicContact CG2-CE 3.67Å; V44-M91 PolarHBondContact N-O 2.89Å; L47-M91 HydrophobicContact CD2-CE 3.42Å; L47-M91 VanDerWaalsContact CD2-CE 3.42Å; L47-M91 HydrophobicContact CD2-SD 4.27Å; G56-M91 VanDerWaalsContact CA-SD 3.57Å; Y57-M91 WeakPolarHBondContact O-CA 3.33Å; Y57-M91 WeakPolarHBondContact O-CG 3.48Å; F67-M91 HydrophobicContact CD2-CG 4.46Å; L69-M91 HydrophobicContact CD1-CE 4.41Å; L69-M91 HydrophobicContact CD1-SD 3.9Å; F80-M91 HydrophobicContact CD2-CB 4.49Å; F80-M91 HydrophobicContact CD2-SD 4.41Å; F80-M91 HydrophobicContact CE2-CB 4.19Å; F80-M91 HydrophobicContact CE2-CE 4.39Å; F80-M91 HydrophobicContact CE2-SD 4.43Å; M91-F94 HydrophobicContact CE-CD1 4.18Å
92	T	97.4	Very high	83.4	Confident	14 Å²	14	46.3 Å²	46.3	9%	0.086	26%	0.261	C	S	.	.			trans	-127.6	-4.5	-169.3	56.4	0	0	0	0	114.4	N35 V36 Y57 E58 H59 A60	N35-T92 WeakPolarHBondContact CA-O 3.31Å; V36-T92 WeakPolarHBondContact CG1-O 3.23Å; V36-T92 HydrophobicContact CG2-CG2 4.35Å; V36-T92 PolarHBondContact N-O 2.88Å; Y57-T92 PolarHBondContact O-N 2.94Å; E58-T92 PolarHBondContact O-OG1 2.98Å; H59-T92 WeakPolarHBondContact CA-OG1 3.47Å; A60-T92 PolarHBondContact N-OG1 2.76Å
93	S	98.6	Very high	84.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158	165.7	67.7	0	0	0	0	111.4	C33 C34 Y57 H59 Y62	C33-S93 CarbonylContact O-C 3.43Å; C33-S93 VanDerWaalsContact O-CA 3.26Å; C33-S93 WeakPolarHBondContact O-CA 3.43Å; C33-S93 WeakPolarHBondContact O-CB 3.39Å; C34-S93 VanDerWaalsContact O-CB 3.22Å; C34-S93 WeakPolarHBondContact O-CB 3.36Å; Y57-S93 WeakPolarHBondContact CB-OG 3.44Å; Y57-S93 PolarHBondContact N-O 2.96Å; Y57-S93 PolarHBondContact O-N 2.91Å; H59-S93 PolarHBondContact O-OG 2.99Å; Y62-S93 WeakPolarHBondContact CA-OG 3.43Å; Y62-S93 PolarHBondContact N-OG 2.9Å; Y62-S93 VanDerWaalsContact N-OG 3.08Å
94	F	98.4	Very high	86.1	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.3	177.5	50.7	-95.7	0	0	0	111.2	I14 V16 F29 E32 C33 V36 V44 W54 V55 M91	I14-F94 HydrophobicContact CG2-CD2 4.09Å; I14-F94 HydrophobicContact CG2-CE2 3.76Å; I14-F94 HydrophobicContact CG2-CZ 4.5Å; V16-F94 HydrophobicContact CG1-CE1 3.94Å; V16-F94 HydrophobicContact CG1-CZ 4.06Å; F29-F94 HydrophobicContact CB-CE2 3.79Å; F29-F94 HydrophobicContact CB-CZ 4.27Å; F29-F94 HydrophobicContact CD1-CE2 4.09Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.86Å; F29-F94 HydrophobicContact CD2-CE2 3.86Å; F29-F94 AromaticContact CD2-CZ 3.42Å; F29-F94 HydrophobicContact CD2-CZ 3.42Å; F29-F94 VanDerWaalsContact CD2-CZ 3.42Å; F29-F94 HydrophobicContact CE1-CZ 4.19Å; F29-F94 HydrophobicContact CE2-CE1 4.48Å; F29-F94 HydrophobicContact CE2-CE2 4.44Å; F29-F94 AromaticContact CE2-CZ 3.6Å; F29-F94 HydrophobicContact CE2-CZ 3.6Å; F29-F94 AromaticContact CG-CE2 3.65Å; F29-F94 HydrophobicContact CG-CE2 3.65Å; F29-F94 AromaticContact CG-CZ 3.64Å; F29-F94 HydrophobicContact CG-CZ 3.64Å; F29-F94 AromaticContact CZ-CZ 3.99Å; F29-F94 HydrophobicContact CZ-CZ 3.99Å; E32-F94 WeakPolarHBondContact CA-O 3.15Å; C33-F94 HydrophobicContact CB-CD2 4.17Å; C33-F94 HydrophobicContact CB-CE1 4.05Å; C33-F94 HydrophobicContact CB-CE2 3.61Å; C33-F94 HydrophobicContact CB-CZ 3.53Å; C33-F94 PolarHBondContact N-O 3.14Å; C33-F94 PolarHBondContact O-N 2.76Å; V36-F94 HydrophobicContact CG1-CD1 4.25Å; V36-F94 HydrophobicContact CG1-CE1 3.59Å; V36-F94 HydrophobicContact CG1-CZ 4.47Å; V44-F94 HydrophobicContact CG2-CE1 4.41Å; W54-F94 AromaticContact CE3-CD2 3.84Å; W54-F94 HydrophobicContact CE3-CD2 3.84Å; W54-F94 AromaticContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CD2 3.83Å; W54-F94 HydrophobicContact CZ3-CE2 4.18Å; V55-F94 CarbonylContact O-C 3.42Å; V55-F94 WeakPolarHBondContact O-CA 3.31Å; V55-F94 WeakPolarHBondContact O-CB 3.49Å; M91-F94 HydrophobicContact CE-CD1 4.18Å
95	R	97.9	Very high	87.9	Confident	21 Å²	21	51.6 Å²	51.6	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.7	177	66	177.4	177	84.3	0.3	111.6	E32 W54 V55 Y57 Y62 E165	E32-R95 HydrophobicContact CB-CB 3.53Å; W54-R95 CarbonylContact C-O 3.59Å; W54-R95 WeakPolarHBondContact CA-O 3.45Å; V55-R95 HydrophobicContact CG1-CG 3.55Å; V55-R95 VanDerWaalsContact CG1-CZ 3.45Å; V55-R95 PolarHBondContact N-O 2.75Å; V55-R95 PolarHBondContact O-N 3.13Å; Y57-R95 HydrophobicContact CE2-CG 4.16Å; Y57-R95 PolarHBondContact OH-NE 3.32Å; Y57-R95 PolarHBondContact OH-NH2 2.95Å; Y62-R95 HydrophobicContact CE1-CB 4.18Å; R95-E165 IonicContact CZ-OE1 2.8Å; R95-E165 VanDerWaalsContact CZ-OE1 3.28Å; R95-E165 IonicContact CZ-OE2 3.13Å; R95-E165 VanDerWaalsContact NH1-CD 3.34Å; R95-E165 IonicContact NH1-OE1 3.18Å; R95-E165 PolarHBondContact NH1-OE1 2.72Å; R95-E165 VanDerWaalsContact NH1-OE1 3.11Å; R95-E165 IonicContact NH1-OE2 3.34Å; R95-E165 PolarHBondContact NH1-OE2 3.36Å; R95-E165 IonicContact NH2-OE1 3.06Å; R95-E165 PolarHBondContact NH2-OE1 2.96Å; R95-E165 IonicContact NH2-OE2 2.75Å
96	P	96.8	Very high	89.8	Confident	18 Å²	18	55 Å²	55	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	152.4	171.1	28.4	-34.5	0	0	0	111.5	W12 W54	W12-P96 HydrophobicContact CB-CB 4.45Å; W12-P96 HydrophobicContact CD2-CB 3.69Å; W12-P96 HydrophobicContact CD2-CG 4.26Å; W12-P96 HydrophobicContact CE3-CB 3.77Å; W12-P96 HydrophobicContact CE3-CG 3.8Å; W12-P96 HydrophobicContact CG-CB 4.02Å; W12-P96 HydrophobicContact CZ3-CB 4.29Å; W12-P96 HydrophobicContact CZ3-CG 4.07Å; W54-P96 HydrophobicContact CD2-CB 4.49Å; W54-P96 HydrophobicContact CE3-CB 4.42Å; W54-P96 HydrophobicContact CZ3-CB 4.5Å
97	I	96.1	Very high	91.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	24%	0.235	C	C	.	.			trans	-101.9	88.1	171	-56.9	175.8	0	0	0	106.7	A53 V55 C99 A100 A148 I163 E165 I194	A53-I97 HydrophobicContact CB-CB 4.2Å; A53-I97 HydrophobicContact CB-CD1 4.28Å; A53-I97 PolarHBondContact O-N 2.98Å; V55-I97 HydrophobicContact CB-CD1 4.1Å; V55-I97 HydrophobicContact CB-CG1 4.21Å; V55-I97 HydrophobicContact CG1-CD1 4.48Å; V55-I97 HydrophobicContact CG1-CG1 4.07Å; I97-C99 VanDerWaalsContact C-N 3.28Å; I97-C99 PolarHBondContact O-N 3.42Å; I97-A100 HydrophobicContact CB-CB 4.19Å; I97-A100 HydrophobicContact CG2-CB 3.83Å; I97-A100 WeakPolarHBondContact O-CB 3.34Å; I97-A100 PolarHBondContact O-N 2.99Å; I97-A100 VanDerWaalsContact O-N 3.14Å; I97-A148 HydrophobicContact CG2-CB 3.53Å; I97-I163 HydrophobicContact CD1-CG2 3.95Å; I97-E165 HydrophobicContact CG2-CG 3.97Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.24Å; I97-I194 HydrophobicContact CD1-CD1 3.74Å; I97-I194 HydrophobicContact CD1-CG2 4.26Å
98	A	92.8	Very high	92.3	Very high	51 Å²	51	45.7 Å²	45.7	42%	0.421	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.9	-167.9	0	0	0	0	0	113.4	W12 A100	W12-A98 HydrophobicContact CH2-CB 3.78Å; W12-A98 HydrophobicContact CZ2-CB 3.81Å; A98-A100 VanDerWaalsContact C-N 3.34Å
99	C	92.4	Very high	93.1	Very high	17 Å²	17	45.4 Å²	45.4	12%	0.115	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.4	178.4	62.6	0	0	0	0	114.6	I97 N101 G147 E165 C166 D167	I97-C99 VanDerWaalsContact C-N 3.28Å; I97-C99 PolarHBondContact O-N 3.42Å; C99-N101 PolarHBondContact O-N 3.22Å; C99-G147 CarbonylContact O-C 3.4Å; C99-G147 WeakPolarHBondContact O-CA 3.26Å; C99-E165 VanDerWaalsContact SG-CB 3.55Å; C99-C166 WeakPolarHBondContact CB-SG 3.3Å; C99-D167 HydrophobicContact CB-CB 4.39Å; C99-D167 PolarHBondContact SG-OD1 2.82Å
100	A	88.9	Confident	93.9	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	18%	0.184	C	C	.	.			trans	-63.2	103.3	177.8	0	0	0	0	0	111	A53 I97 A98 A148 I194 Q196	A53-A100 HydrophobicContact CB-CB 3.77Å; I97-A100 HydrophobicContact CB-CB 4.19Å; I97-A100 HydrophobicContact CG2-CB 3.83Å; I97-A100 WeakPolarHBondContact O-CB 3.34Å; I97-A100 PolarHBondContact O-N 2.99Å; I97-A100 VanDerWaalsContact O-N 3.14Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A100-A148 HydrophobicContact CB-CB 4.46Å; A100-I194 HydrophobicContact CB-CG2 4.11Å; A100-Q196 PolarHBondContact O-OE1 3.27Å
101	N	86.6	Confident	94.3	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.16	18%	0.183	C	C	.	.			trans	-137.9	91	175.8	179	7	0	0	0	109.8	C99 R103 E104 C105	C99-N101 PolarHBondContact O-N 3.22Å; N101-R103 PolarHBondContact O-N 2.77Å; N101-R103 PolarHBondContact OD1-N 3.29Å; N101-E104 CarbonylContact O-C 3.46Å; N101-E104 PolarHBondContact O-N 2.98Å; N101-C105 PolarHBondContact O-SG 2.88Å
102	H	82.8	Confident	94.4	Very high	59 Å²	59	46.3 Å²	46.3	27%	0.273	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-25	-175.1	-173.1	75	0	0	0	114.8	E104 R193	H102-E104 VanDerWaalsContact C-N 3.35Å; H102-R193 PolarHBondContact CE1-NE 2.94Å
103	R	84.6	Confident	94.4	Very high	240 Å²	240	48.9 Å²	48.9	91%	0.906	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-18	-178.3	-64.1	-174.3	179.1	-168.8	-0	113.7	N101	N101-R103 PolarHBondContact O-N 2.77Å; N101-R103 PolarHBondContact OD1-N 3.29Å
104	E	88.8	Confident	94.4	Very high	128 Å²	128	53.4 Å²	53.4	60%	0.598	24%	0.243	S	C	*	.	S	Bend	trans	-140.4	67.5	-174.4	-164.6	-180	-179.1	0	0	110.5	N101 H102 S146	N101-E104 CarbonylContact O-C 3.46Å; N101-E104 PolarHBondContact O-N 2.98Å; H102-E104 VanDerWaalsContact C-N 3.35Å; E104-S146 CarbonylContact O-C 3.55Å; E104-S146 VanDerWaalsContact O-CB 3.32Å; E104-S146 WeakPolarHBondContact O-CB 3.47Å; E104-S146 PolarHBondContact O-OG 3.07Å
105	C	94	Very high	94.4	Very high	10 Å²	10	54.7 Å²	54.7	7%	0.068	25%	0.249	C	C	.	.			trans	-108.3	128.7	177	-70.3	0	0	0	0	110.8	N101 S123 S146 F149 R193	N101-C105 PolarHBondContact O-SG 2.88Å; C105-S123 WeakPolarHBondContact O-CA 3.2Å; C105-S146 WeakPolarHBondContact CA-O 3.23Å; C105-F149 HydrophobicContact CB-CE1 4.15Å; C105-F149 HydrophobicContact CB-CE2 3.82Å; C105-F149 HydrophobicContact CB-CZ 3.51Å; C105-R193 HydrophobicContact CB-CB 4.35Å; C105-R193 HydrophobicContact CB-CG 3.6Å
106	R	97.4	Very high	94.4	Very high	130 Å²	130	58 Å²	58	49%	0.491	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.4	173.3	-174.5	175.9	54.8	149.7	-2.4	110.1	L122 Q145 S146	R106-L122 WeakPolarHBondContact CA-O 3.49Å; R106-Q145 VanDerWaalsContact C-OE1 3.26Å; R106-Q145 HydrophobicContact CB-CB 4.32Å; R106-Q145 HydrophobicContact CG-CB 4.38Å; R106-Q145 PolarHBondContact O-N 2.87Å; R106-Q145 PolarHBondContact O-OE1 3.35Å; R106-S146 PolarHBondContact N-O 2.86Å; R106-S146 PolarHBondContact N-OG 2.78Å; R106-S146 VanDerWaalsContact N-OG 3.17Å; R106-S146 PolarHBondContact O-N 2.96Å
107	M	98.3	Very high	94.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.7	174.8	-178.4	-170.6	-79.2	0	0	110	I109 L122 L142 R143 V144 Q145 F149 M164 I191	M107-I109 HydrophobicContact CG-CG2 4.35Å; M107-I109 HydrophobicContact SD-CG2 3.81Å; M107-L122 HydrophobicContact CB-CB 4.44Å; M107-L122 PolarHBondContact N-O 3.18Å; M107-L122 PolarHBondContact O-N 3.36Å; M107-L142 HydrophobicContact CE-CD1 4.44Å; M107-L142 HydrophobicContact SD-CB 4.44Å; M107-R143 CarbonylContact C-O 3.6Å; M107-R143 VanDerWaalsContact CA-O 3.23Å; M107-R143 WeakPolarHBondContact CA-O 3.34Å; M107-R143 WeakPolarHBondContact CG-O 3.4Å; M107-V144 HydrophobicContact CE-CG2 3.75Å; M107-V144 HydrophobicContact CG-CG2 4.48Å; M107-Q145 VanDerWaalsContact C-OE1 3.31Å; M107-F149 HydrophobicContact CB-CD2 4.06Å; M107-F149 HydrophobicContact CB-CE1 4.28Å; M107-F149 HydrophobicContact CB-CE2 3.62Å; M107-F149 HydrophobicContact CB-CZ 3.71Å; M107-F149 HydrophobicContact CE-CB 3.44Å; M107-F149 VanDerWaalsContact CE-CB 3.44Å; M107-F149 HydrophobicContact CE-CD1 4.34Å; M107-F149 HydrophobicContact CE-CD2 3.63Å; M107-F149 HydrophobicContact CE-CE2 4.41Å; M107-F149 HydrophobicContact CE-CG 3.56Å; M107-M164 HydrophobicContact CE-CB 3.58Å; M107-M164 HydrophobicContact CE-CG 3.95Å; M107-I191 HydrophobicContact SD-CD1 4.32Å; M107-I191 HydrophobicContact SD-CG2 4.47Å
108	T	98.6	Very high	94.5	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.4	162.3	-55	0	0	0	0	109.7	Y110 K119 G120 E121 L142 R143 Q145	T108-Y110 HydrophobicContact CG2-CD2 4.26Å; T108-Y110 HydrophobicContact CG2-CE1 4.19Å; T108-Y110 HydrophobicContact CG2-CE2 3.55Å; T108-K119 HydrophobicContact CG2-CB 3.96Å; T108-K119 HydrophobicContact CG2-CD 4.01Å; T108-G120 CarbonylContact C-O 3.59Å; T108-G120 VanDerWaalsContact CA-O 3.29Å; T108-G120 WeakPolarHBondContact CA-O 3.05Å; T108-G120 WeakPolarHBondContact CG2-O 3.18Å; T108-E121 HydrophobicContact CG2-CG 4.25Å; T108-L142 CarbonylContact O-C 3.53Å; T108-L142 VanDerWaalsContact O-CA 3.27Å; T108-L142 WeakPolarHBondContact O-CA 3.37Å; T108-R143 PolarHBondContact N-O 2.86Å; T108-R143 PolarHBondContact O-N 2.86Å; T108-Q145 PolarHBondContact OG1-NE2 3.31Å
109	I	98.6	Very high	94.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.9	171.4	63.6	175.4	0	0	0	110.3	M107 K119 G120 L122 L129 M132 W134 V139 L142 I191	M107-I109 HydrophobicContact CG-CG2 4.35Å; M107-I109 HydrophobicContact SD-CG2 3.81Å; I109-K119 CarbonylContact O-C 3.59Å; I109-K119 WeakPolarHBondContact O-CA 3.34Å; I109-G120 PolarHBondContact N-O 3.01Å; I109-G120 PolarHBondContact O-N 2.84Å; I109-L122 HydrophobicContact CB-CD1 4.38Å; I109-L122 HydrophobicContact CD1-CD1 3.84Å; I109-L122 HydrophobicContact CG1-CD1 3.67Å; I109-L122 HydrophobicContact CG2-CD1 4.04Å; I109-L129 HydrophobicContact CD1-CD1 4.2Å; I109-L129 HydrophobicContact CD1-CD2 4.44Å; I109-M132 HydrophobicContact CD1-CE 4.36Å; I109-W134 HydrophobicContact CD1-CD2 3.79Å; I109-W134 HydrophobicContact CD1-CE3 3.8Å; I109-W134 HydrophobicContact CD1-CG 4.37Å; I109-W134 HydrophobicContact CD1-CH2 4.13Å; I109-W134 HydrophobicContact CD1-CZ2 4.11Å; I109-W134 HydrophobicContact CD1-CZ3 3.98Å; I109-W134 HydrophobicContact CG1-CE3 4.22Å; I109-W134 HydrophobicContact CG1-CH2 3.91Å; I109-W134 HydrophobicContact CG1-CZ2 4.28Å; I109-W134 HydrophobicContact CG1-CZ3 3.89Å; I109-V139 HydrophobicContact CB-CG1 3.76Å; I109-V139 HydrophobicContact CB-CG2 4.29Å; I109-V139 HydrophobicContact CD1-CG2 4.15Å; I109-V139 HydrophobicContact CG2-CG1 3.97Å; I109-V139 HydrophobicContact CG2-CG2 4.48Å; I109-L142 HydrophobicContact CG2-CB 4.4Å; I109-I191 HydrophobicContact CG2-CD1 3.88Å
110	Y	98.6	Very high	95	Very high	23 Å²	23	67.9 Å²	67.9	9%	0.09	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.4	179.6	-60.5	-98.1	0	0	0	110.2	T108 R112 F115 R118 K119 G140 S141 R143	T108-Y110 HydrophobicContact CG2-CD2 4.26Å; T108-Y110 HydrophobicContact CG2-CE1 4.19Å; T108-Y110 HydrophobicContact CG2-CE2 3.55Å; Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.78Å; Y110-F115 VanDerWaalsContact CD1-C 3.41Å; Y110-F115 HydrophobicContact CD1-CB 4.01Å; Y110-F115 VanDerWaalsContact CD1-O 3.31Å; Y110-F115 WeakPolarHBondContact CD1-O 3.31Å; Y110-F115 HydrophobicContact CD2-CB 4.13Å; Y110-F115 AromaticContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CG 4.41Å; Y110-F115 HydrophobicContact CE1-CB 3.87Å; Y110-F115 WeakPolarHBondContact CE1-O 3.19Å; Y110-F115 HydrophobicContact CE2-CB 4.02Å; Y110-F115 AromaticContact CE2-CD1 3.78Å; Y110-F115 HydrophobicContact CE2-CD1 3.78Å; Y110-F115 HydrophobicContact CE2-CG 4.23Å; Y110-F115 HydrophobicContact CG-CB 4.14Å; Y110-F115 HydrophobicContact CG-CD1 4.46Å; Y110-R118 WeakPolarHBondContact CA-O 3.42Å; Y110-K119 HydrophobicContact CD1-CB 3.79Å; Y110-K119 HydrophobicContact CE1-CB 3.84Å; Y110-K119 HydrophobicContact CE1-CD 4.28Å; Y110-K119 HydrophobicContact CG-CB 4.48Å; Y110-G140 PolarHBondContact O-N 2.98Å; Y110-S141 WeakPolarHBondContact CB-OG 3.19Å; Y110-S141 PolarHBondContact N-O 3.29Å; Y110-S141 PolarHBondContact O-N 2.89Å; Y110-R143 HydrophobicContact CE2-CB 4.41Å; Y110-R143 HydrophobicContact CE2-CG 4.18Å
111	E	97.4	Very high	95.4	Very high	82 Å²	82	73.1 Å²	73.1	38%	0.383	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-38.5	-179.4	-177.1	-177.8	-175.2	0	0	112.1	R118 W134 G140	E111-R118 HydrophobicContact CB-CB 4.4Å; E111-R118 PolarHBondContact N-O 2.99Å; E111-R118 WeakPolarHBondContact OE2-CB 3.36Å; E111-R118 PolarHBondContact OE2-N 3.06Å; E111-R118 VanDerWaalsContact OE2-N 3.11Å; E111-W134 HydrophobicContact CB-CH2 4.26Å; E111-W134 HydrophobicContact CB-CZ2 4.28Å; E111-G140 PolarHBondContact O-N 3.39Å
112	R	97.8	Very high	95.9	Very high	142 Å²	142	71.7 Å²	71.7	54%	0.536	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	165.6	-177.5	-59.9	-177.1	-66.7	177.6	-2	111.1	Y110 L116 G140 S141	Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.78Å; R112-L116 HydrophobicContact CB-CB 4.05Å; R112-L116 WeakPolarHBondContact CB-O 3.45Å; R112-L116 PolarHBondContact N-O 2.8Å; R112-G140 CarbonylContact O-C 3.59Å; R112-S141 PolarHBondContact O-N 2.97Å; R112-S141 PolarHBondContact O-OG 3.38Å
113	E	98.1	Very high	96.5	Very high	69 Å²	69	71.8 Å²	71.8	32%	0.322	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.7	162.1	172	-64.3	176.1	-179.5	0	0	111.8	F115 L116 K174 H175	E113-F115 PolarHBondContact O-N 2.81Å; E113-L116 WeakPolarHBondContact O-CB 3.28Å; E113-L116 WeakPolarHBondContact O-CG 3.28Å; E113-L116 PolarHBondContact O-N 3.27Å; E113-K174 CarbonylContact C-O 3.58Å; E113-K174 WeakPolarHBondContact CA-O 3.38Å; E113-K174 WeakPolarHBondContact CB-O 3.45Å; E113-H175 IonicContact OE1-CD2 2.94Å; E113-H175 PolarHBondContact OE1-CD2 2.98Å; E113-H175 IonicContact OE1-CE1 3.77Å; E113-H175 IonicContact OE1-CG 3.6Å; E113-H175 IonicContact OE1-NE2 2.89Å; E113-H175 PolarHBondContact OE1-NE2 3.37Å; E113-H175 IonicContact OE2-CD2 3.7Å; E113-H175 PolarHBondContact OE2-CD2 3.01Å; E113-H175 IonicContact OE2-NE2 3.72Å
114	N	98.1	Very high	97	Very high	94 Å²	94	64 Å²	64	50%	0.503	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	56.9	31	177.4	-57.3	-67.8	0	0	0	114.3	L116 K174	N114-L116 HydrophobicContact CB-CG 4.49Å; N114-L116 PolarHBondContact O-N 2.98Å; N114-K174 PolarHBondContact N-O 3.45Å
115	F	98.3	Very high	97.4	Very high	28 Å²	28	60.3 Å²	60.3	12%	0.123	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	64.2	35.5	176.8	-41.4	-51.5	0	0	0	114.1	Y110 E113 S141 L142 R143 E172 K174	Y110-F115 VanDerWaalsContact CD1-C 3.41Å; Y110-F115 HydrophobicContact CD1-CB 4.01Å; Y110-F115 VanDerWaalsContact CD1-O 3.31Å; Y110-F115 WeakPolarHBondContact CD1-O 3.31Å; Y110-F115 HydrophobicContact CD2-CB 4.13Å; Y110-F115 AromaticContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CD1 3.77Å; Y110-F115 HydrophobicContact CD2-CG 4.41Å; Y110-F115 HydrophobicContact CE1-CB 3.87Å; Y110-F115 WeakPolarHBondContact CE1-O 3.19Å; Y110-F115 HydrophobicContact CE2-CB 4.02Å; Y110-F115 AromaticContact CE2-CD1 3.78Å; Y110-F115 HydrophobicContact CE2-CD1 3.78Å; Y110-F115 HydrophobicContact CE2-CG 4.23Å; Y110-F115 HydrophobicContact CG-CB 4.14Å; Y110-F115 HydrophobicContact CG-CD1 4.46Å; E113-F115 PolarHBondContact O-N 2.81Å; F115-S141 VanDerWaalsContact CA-OG 3.29Å; F115-S141 WeakPolarHBondContact CA-OG 3.36Å; F115-S141 WeakPolarHBondContact CD1-OG 3.38Å; F115-S141 PolarHBondContact N-OG 3.05Å; F115-L142 WeakPolarHBondContact CE1-O 3.47Å; F115-R143 HydrophobicContact CD1-CG 3.86Å; F115-R143 VanDerWaalsContact CD2-NH2 3.26Å; F115-R143 HydrophobicContact CE1-CG 3.56Å; F115-R143 HydrophobicContact CE2-CG 4.36Å; F115-R143 HydrophobicContact CG-CG 4.41Å; F115-R143 HydrophobicContact CZ-CG 3.82Å; F115-E172 HydrophobicContact CE2-CB 4.42Å; F115-E172 HydrophobicContact CE2-CG 4.32Å; F115-E172 HydrophobicContact CZ-CB 3.83Å; F115-E172 HydrophobicContact CZ-CG 4.06Å; F115-K174 HydrophobicContact CD2-CG 4.47Å; F115-K174 HydrophobicContact CE1-CG 4.16Å; F115-K174 HydrophobicContact CE2-CD 4.21Å; F115-K174 VanDerWaalsContact CE2-CE 3.49Å; F115-K174 HydrophobicContact CE2-CG 3.61Å; F115-K174 HydrophobicContact CZ-CB 4.47Å; F115-K174 HydrophobicContact CZ-CD 4.39Å; F115-K174 HydrophobicContact CZ-CG 3.41Å; F115-K174 VanDerWaalsContact CZ-CG 3.41Å
116	L	98.3	Very high	97.6	Very high	91 Å²	91	62.2 Å²	62.2	48%	0.476	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	159.4	-177	-60.8	176.7	0	0	0	112.4	R112 E113 N114	R112-L116 HydrophobicContact CB-CB 4.05Å; R112-L116 WeakPolarHBondContact CB-O 3.45Å; R112-L116 PolarHBondContact N-O 2.8Å; E113-L116 WeakPolarHBondContact O-CB 3.28Å; E113-L116 WeakPolarHBondContact O-CG 3.28Å; E113-L116 PolarHBondContact O-N 3.27Å; N114-L116 HydrophobicContact CB-CG 4.49Å; N114-L116 PolarHBondContact O-N 2.98Å
117	G	97.3	Very high	97.6	Very high	39 Å²	39	59.3 Å²	59.3	40%	0.402	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.6	-159.9	176.3	0	0	0	0	0	112.9
118	R	96.9	Very high	97.6	Very high	133 Å²	133	60.7 Å²	60.7	50%	0.502	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	144.5	177.3	-174.1	172.6	174.7	-164.9	-9.2	110	Y110 E111 G133 C135	Y110-R118 WeakPolarHBondContact CA-O 3.42Å; E111-R118 HydrophobicContact CB-CB 4.4Å; E111-R118 PolarHBondContact N-O 2.99Å; E111-R118 WeakPolarHBondContact OE2-CB 3.36Å; E111-R118 PolarHBondContact OE2-N 3.06Å; E111-R118 VanDerWaalsContact OE2-N 3.11Å; R118-G133 PolarHBondContact NH2-O 2.93Å; R118-C135 PolarHBondContact NH1-SG 3.23Å
119	K	97.7	Very high	97.5	Very high	110 Å²	110	60.6 Å²	60.6	48%	0.478	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.1	175.3	68.4	164.6	-176.6	152.7	0	112.3	T108 I109 Y110 E121	T108-K119 HydrophobicContact CG2-CB 3.96Å; T108-K119 HydrophobicContact CG2-CD 4.01Å; I109-K119 CarbonylContact O-C 3.59Å; I109-K119 WeakPolarHBondContact O-CA 3.34Å; Y110-K119 HydrophobicContact CD1-CB 3.79Å; Y110-K119 HydrophobicContact CE1-CB 3.84Å; Y110-K119 HydrophobicContact CE1-CD 4.28Å; Y110-K119 HydrophobicContact CG-CB 4.48Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.97Å
120	G	97.1	Very high	97.5	Very high	12 Å²	12	63.3 Å²	63.3	12%	0.124	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.3	170.4	0	0	0	0	0	109.9	T108 I109 L122	T108-G120 CarbonylContact C-O 3.59Å; T108-G120 VanDerWaalsContact CA-O 3.29Å; T108-G120 WeakPolarHBondContact CA-O 3.05Å; T108-G120 WeakPolarHBondContact CG2-O 3.18Å; I109-G120 PolarHBondContact N-O 3.01Å; I109-G120 PolarHBondContact O-N 2.84Å; G120-L122 WeakPolarHBondContact O-CD1 3.42Å
121	E	97.5	Very high	97.4	Very high	113 Å²	113	66.4 Å²	66.4	53%	0.528	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	176.8	-67.2	180	-165.2	0	0	109.2	T108 K119	T108-E121 HydrophobicContact CG2-CG 4.25Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.97Å
122	L	96.9	Very high	97.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.2	-173.3	-71.4	75.9	0	0	0	109.6	R106 M107 I109 G120 Y126 L129 I191	R106-L122 WeakPolarHBondContact CA-O 3.49Å; M107-L122 HydrophobicContact CB-CB 4.44Å; M107-L122 PolarHBondContact N-O 3.18Å; M107-L122 PolarHBondContact O-N 3.36Å; I109-L122 HydrophobicContact CB-CD1 4.38Å; I109-L122 HydrophobicContact CD1-CD1 3.84Å; I109-L122 HydrophobicContact CG1-CD1 3.67Å; I109-L122 HydrophobicContact CG2-CD1 4.04Å; G120-L122 WeakPolarHBondContact O-CD1 3.42Å; L122-Y126 HydrophobicContact CB-CD2 4.38Å; L122-Y126 HydrophobicContact CB-CE2 3.87Å; L122-Y126 HydrophobicContact CD2-CD2 3.74Å; L122-Y126 HydrophobicContact CD2-CE2 4.03Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.71Å; L122-L129 HydrophobicContact CD2-CD2 4.11Å; L122-I191 HydrophobicContact CD2-CB 4.03Å; L122-I191 HydrophobicContact CD2-CD1 3.73Å; L122-I191 HydrophobicContact CD2-CG1 4.41Å; L122-I191 HydrophobicContact CD2-CG2 4.06Å
123	S	95.6	Very high	97.2	Very high	61 Å²	61	60.4 Å²	60.4	43%	0.427	34%	0.336	S	S	.	.			trans	-134.9	-1.5	173.8	51.4	0	0	0	0	113.3	C105 R193	C105-S123 WeakPolarHBondContact O-CA 3.2Å; S123-R193 WeakPolarHBondContact O-CD 3.13Å; S123-R193 PolarHBondContact O-NH1 2.88Å
124	D	95.9	Very high	97.1	Very high	76 Å²	76	57.6 Å²	57.6	41%	0.406	32%	0.323	S	S	.	.	S	Bend	trans	-128.7	-179.8	-178.4	-70.3	-62.4	0	0	0	111.3	Y126 R193	D124-Y126 HydrophobicContact CB-CE2 4.2Å; D124-Y126 WeakPolarHBondContact O-CD2 3.29Å; D124-Y126 WeakPolarHBondContact O-CE2 3.45Å; D124-R193 IonicContact OD1-CZ 2.83Å; D124-R193 IonicContact OD1-NH1 3.59Å; D124-R193 PolarHBondContact OD1-NH1 3.01Å; D124-R193 IonicContact OD1-NH2 3.91Å
125	D	97.5	Very high	96.8	Very high	50 Å²	50	58.3 Å²	58.3	27%	0.267	33%	0.334	S	S	.	.			trans	-90.3	130.1	178.5	-50.3	-40.9	0	0	0	109.9	R192 R193	D125-R192 HydrophobicContact CB-CB 3.87Å; D125-R192 WeakPolarHBondContact OD1-CA 3.44Å; D125-R193 WeakPolarHBondContact OD1-CB 3.49Å; D125-R193 WeakPolarHBondContact OD1-CG 3.5Å; D125-R193 IonicContact OD1-CZ 3.56Å; D125-R193 PolarHBondContact OD1-N 3.4Å; D125-R193 IonicContact OD1-NE 3.68Å; D125-R193 PolarHBondContact OD1-NE 3.11Å; D125-R193 IonicContact OD1-NH2 3.36Å; D125-R193 IonicContact OD2-CZ 2.81Å; D125-R193 IonicContact OD2-NE 3.84Å; D125-R193 IonicContact OD2-NH2 3.85Å; D125-R193 PolarHBondContact OD2-NH2 3.14Å
126	Y	97.7	Very high	96.4	Very high	50 Å²	50	59.5 Å²	59.5	20%	0.196	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-123.2	96	-175.5	-64.1	-84.1	0	0	0	110	L122 D124 S128 M132 S190 I191	L122-Y126 HydrophobicContact CB-CD2 4.38Å; L122-Y126 HydrophobicContact CB-CE2 3.87Å; L122-Y126 HydrophobicContact CD2-CD2 3.74Å; L122-Y126 HydrophobicContact CD2-CE2 4.03Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.71Å; D124-Y126 HydrophobicContact CB-CE2 4.2Å; D124-Y126 WeakPolarHBondContact O-CD2 3.29Å; D124-Y126 WeakPolarHBondContact O-CE2 3.45Å; Y126-S128 PolarHBondContact O-N 2.76Å; Y126-M132 HydrophobicContact CD1-CB 3.7Å; Y126-M132 HydrophobicContact CD1-CG 3.73Å; Y126-M132 HydrophobicContact CE1-CB 3.96Å; Y126-M132 HydrophobicContact CE1-CG 3.47Å; Y126-M132 VanDerWaalsContact CE1-CG 3.47Å; Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.14Å; Y126-S190 WeakPolarHBondContact O-CB 3.44Å; Y126-I191 CarbonylContact C-O 3.54Å; Y126-I191 PolarHBondContact N-O 3.43Å; Y126-I191 PolarHBondContact O-N 2.81Å
127	P	97.2	Very high	96.3	Very high	70 Å²	70	58.8 Å²	58.8	46%	0.455	34%	0.339	S	S	.	.	S	Bend	trans	-68.3	-13.8	175.7	28.1	-34.2	0	0	0	112.6	P155 G156 Y157 S190	P127-P155 CarbonylContact O-C 3.58Å; P127-P155 WeakPolarHBondContact O-CA 3.41Å; P127-G156 PolarHBondContact O-N 3.22Å; P127-Y157 HydrophobicContact CB-CE1 4.29Å; P127-Y157 HydrophobicContact CB-CE2 4.22Å; P127-Y157 WeakPolarHBondContact CD-OH 3.26Å; P127-S190 VanDerWaalsContact O-CB 3.31Å; P127-S190 WeakPolarHBondContact O-CB 3.4Å
128	S	97.8	Very high	96.3	Very high	29 Å²	29	60.8 Å²	60.8	20%	0.203	34%	0.337	C	S	.	.			trans	-147.2	119.2	167.5	170.7	0	0	0	0	109.7	Y126 Q130 A131 M132 Q189	Y126-S128 PolarHBondContact O-N 2.76Å; S128-Q130 PolarHBondContact O-N 2.8Å; S128-Q130 PolarHBondContact OG-N 2.84Å; S128-Q130 PolarHBondContact OG-OE1 2.96Å; S128-Q130 VanDerWaalsContact OG-OE1 3.05Å; S128-A131 PolarHBondContact O-N 3.05Å; S128-A131 PolarHBondContact OG-N 2.82Å; S128-A131 VanDerWaalsContact OG-N 3.08Å; S128-M132 PolarHBondContact O-N 3.05Å; S128-Q189 WeakPolarHBondContact CA-O 3.49Å
129	L	98.1	Very high	96.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-32.6	172.5	-65.9	-175.7	0	0	0	111.3	I109 L122 M132 G133 W134 V139 I188 Q189 I191	I109-L129 HydrophobicContact CD1-CD1 4.2Å; I109-L129 HydrophobicContact CD1-CD2 4.44Å; L122-L129 HydrophobicContact CD2-CD2 4.11Å; L129-M132 HydrophobicContact CD2-CE 4.33Å; L129-M132 WeakPolarHBondContact O-CB 3.14Å; L129-M132 PolarHBondContact O-N 2.79Å; L129-M132 VanDerWaalsContact O-N 3.13Å; L129-G133 PolarHBondContact O-N 2.88Å; L129-W134 HydrophobicContact CB-CB 3.81Å; L129-W134 HydrophobicContact CB-CG 4.22Å; L129-W134 WeakPolarHBondContact O-CB 3.5Å; L129-W134 PolarHBondContact O-N 2.82Å; L129-V139 HydrophobicContact CD1-CG2 4.06Å; L129-I188 HydrophobicContact CD1-CG2 4.1Å; L129-Q189 PolarHBondContact N-O 3.13Å; L129-I191 HydrophobicContact CD1-CD1 3.97Å; L129-I191 HydrophobicContact CD1-CG1 4.23Å; L129-I191 HydrophobicContact CD2-CB 4.47Å; L129-I191 HydrophobicContact CD2-CD1 4.06Å; L129-I191 HydrophobicContact CD2-CG1 4.14Å; L129-I191 HydrophobicContact CG-CG1 4.49Å
130	Q	97.1	Very high	96.4	Very high	56 Å²	56	49.5 Å²	49.5	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-39.8	177	-58.6	84.5	-3.6	0	0	111.8	S128 M132 G133 W134 N137	S128-Q130 PolarHBondContact O-N 2.8Å; S128-Q130 PolarHBondContact OG-N 2.84Å; S128-Q130 PolarHBondContact OG-OE1 2.96Å; S128-Q130 VanDerWaalsContact OG-OE1 3.05Å; Q130-M132 PolarHBondContact O-N 2.87Å; Q130-G133 WeakPolarHBondContact O-CA 3.49Å; Q130-G133 PolarHBondContact O-N 3.36Å; Q130-W134 WeakPolarHBondContact CA-O 3.27Å; Q130-N137 PolarHBondContact NE2-OD1 2.83Å
131	A	96.7	Very high	96.5	Very high	89 Å²	89	48.9 Å²	48.9	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-64.2	-27.8	173.5	0	0	0	0	0	112.8	S128 G133	S128-A131 PolarHBondContact O-N 3.05Å; S128-A131 PolarHBondContact OG-N 2.82Å; S128-A131 VanDerWaalsContact OG-N 3.08Å; A131-G133 PolarHBondContact O-N 2.91Å
132	M	95.3	Very high	96.5	Very high	65 Å²	65	43.5 Å²	43.5	32%	0.32	26%	0.262	S	S	.	.	H	α-helix	trans	-73	-16.1	171.1	-179.3	-86	-73.4	0	0	112.8	I109 Y126 S128 L129 Q130 W134	I109-M132 HydrophobicContact CD1-CE 4.36Å; Y126-M132 HydrophobicContact CD1-CB 3.7Å; Y126-M132 HydrophobicContact CD1-CG 3.73Å; Y126-M132 HydrophobicContact CE1-CB 3.96Å; Y126-M132 HydrophobicContact CE1-CG 3.47Å; Y126-M132 VanDerWaalsContact CE1-CG 3.47Å; S128-M132 PolarHBondContact O-N 3.05Å; L129-M132 HydrophobicContact CD2-CE 4.33Å; L129-M132 WeakPolarHBondContact O-CB 3.14Å; L129-M132 PolarHBondContact O-N 2.79Å; L129-M132 VanDerWaalsContact O-N 3.13Å; Q130-M132 PolarHBondContact O-N 2.87Å; M132-W134 HydrophobicContact CE-CB 4.17Å
133	G	95.9	Very high	96.6	Very high	32 Å²	32	47.6 Å²	47.6	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	14.3	-177.7	0	0	0	0	0	114.3	R118 L129 Q130 A131	R118-G133 PolarHBondContact NH2-O 2.93Å; L129-G133 PolarHBondContact O-N 2.88Å; Q130-G133 WeakPolarHBondContact O-CA 3.49Å; Q130-G133 PolarHBondContact O-N 3.36Å; A131-G133 PolarHBondContact O-N 2.91Å
134	W	97.2	Very high	96.7	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.038	26%	0.259	C	S	.	.			trans	-74.1	119	168.3	-165.8	-113.2	0	0	0	109.9	I109 E111 L129 Q130 M132 N136 E138 V139	I109-W134 HydrophobicContact CD1-CD2 3.79Å; I109-W134 HydrophobicContact CD1-CE3 3.8Å; I109-W134 HydrophobicContact CD1-CG 4.37Å; I109-W134 HydrophobicContact CD1-CH2 4.13Å; I109-W134 HydrophobicContact CD1-CZ2 4.11Å; I109-W134 HydrophobicContact CD1-CZ3 3.98Å; I109-W134 HydrophobicContact CG1-CE3 4.22Å; I109-W134 HydrophobicContact CG1-CH2 3.91Å; I109-W134 HydrophobicContact CG1-CZ2 4.28Å; I109-W134 HydrophobicContact CG1-CZ3 3.89Å; E111-W134 HydrophobicContact CB-CH2 4.26Å; E111-W134 HydrophobicContact CB-CZ2 4.28Å; L129-W134 HydrophobicContact CB-CB 3.81Å; L129-W134 HydrophobicContact CB-CG 4.22Å; L129-W134 WeakPolarHBondContact O-CB 3.5Å; L129-W134 PolarHBondContact O-N 2.82Å; Q130-W134 WeakPolarHBondContact CA-O 3.27Å; M132-W134 HydrophobicContact CE-CB 4.17Å; W134-N136 PolarHBondContact O-N 2.96Å; W134-E138 PolarHBondContact NE1-O 3.24Å; W134-V139 HydrophobicContact CZ2-CG2 4.35Å
135	C	90.2	Very high	96.8	Very high	109 Å²	109	44.5 Å²	44.5	74%	0.736	25%	0.254	S	S	*	.			trans	-84.4	-8.5	-168.8	-60.8	0	0	0	0	114.7	R118	R118-C135 PolarHBondContact NH1-SG 3.23Å
136	N	90.8	Very high	96.7	Very high	54 Å²	54	43.2 Å²	43.2	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	-113.9	162.1	-178	-163	-5.6	0	0	0	110.4	W134 E138	W134-N136 PolarHBondContact O-N 2.96Å; N136-E138 VanDerWaalsContact C-N 3.28Å; N136-E138 PolarHBondContact OD1-N 3.32Å
137	N	96.6	Very high	96.7	Very high	76 Å²	76	41 Å²	41	41%	0.406	24%	0.242	S	C	.	.	S	Bend	trans	-89.9	2.6	169.7	-63.1	-20.6	0	0	0	112.3	Q130 Q187 I188 Q189	Q130-N137 PolarHBondContact NE2-OD1 2.83Å; N137-Q187 WeakPolarHBondContact O-CA 3.47Å; N137-Q187 WeakPolarHBondContact O-CG 3.2Å; N137-I188 PolarHBondContact O-N 3.41Å; N137-Q189 HydrophobicContact CB-CG 4.08Å; N137-Q189 PolarHBondContact OD1-OE1 3.34Å
138	E	97.7	Very high	96.7	Very high	81 Å²	81	37.7 Å²	37.7	38%	0.379	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-121.3	151.4	-174.6	-58.7	179.5	162.5	0	0	111.4	W134 N136 P186	W134-E138 PolarHBondContact NE1-O 3.24Å; N136-E138 VanDerWaalsContact C-N 3.28Å; N136-E138 PolarHBondContact OD1-N 3.32Å; E138-P186 WeakPolarHBondContact CA-O 3.38Å; E138-P186 HydrophobicContact CB-CB 4.28Å; E138-P186 HydrophobicContact CB-CG 4.1Å; E138-P186 HydrophobicContact CG-CG 4.08Å
139	V	98.3	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.			trans	-127.6	107.2	169.9	173.1	0	0	0	0	107	I109 L129 W134 S141 L142 P186 I188	I109-V139 HydrophobicContact CB-CG1 3.76Å; I109-V139 HydrophobicContact CB-CG2 4.29Å; I109-V139 HydrophobicContact CD1-CG2 4.15Å; I109-V139 HydrophobicContact CG2-CG1 3.97Å; I109-V139 HydrophobicContact CG2-CG2 4.48Å; L129-V139 HydrophobicContact CD1-CG2 4.06Å; W134-V139 HydrophobicContact CZ2-CG2 4.35Å; V139-S141 WeakPolarHBondContact CG1-O 3.34Å; V139-L142 HydrophobicContact CG1-CB 4.48Å; V139-L142 HydrophobicContact CG1-CD2 4.22Å; V139-P186 PolarHBondContact N-O 3.13Å; V139-P186 WeakPolarHBondContact O-CB 3.31Å; V139-I188 HydrophobicContact CB-CB 4.17Å; V139-I188 HydrophobicContact CB-CD1 4.18Å; V139-I188 HydrophobicContact CG2-CB 3.98Å; V139-I188 HydrophobicContact CG2-CG2 4.3Å
140	G	97.6	Very high	96.7	Very high	5 Å²	5	36.3 Å²	36.3	5%	0.052	21%	0.211	C	C	.	.			trans	-73.7	-31.3	-174.6	0	0	0	0	0	113.9	Y110 E111 R112	Y110-G140 PolarHBondContact O-N 2.98Å; E111-G140 PolarHBondContact O-N 3.39Å; R112-G140 CarbonylContact O-C 3.59Å
141	S	98.6	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.1	174.2	58.4	0	0	0	0	111.9	Y110 R112 F115 V139 Y173 K174	Y110-S141 WeakPolarHBondContact CB-OG 3.19Å; Y110-S141 PolarHBondContact N-O 3.29Å; Y110-S141 PolarHBondContact O-N 2.89Å; R112-S141 PolarHBondContact O-N 2.97Å; R112-S141 PolarHBondContact O-OG 3.38Å; F115-S141 VanDerWaalsContact CA-OG 3.29Å; F115-S141 WeakPolarHBondContact CA-OG 3.36Å; F115-S141 WeakPolarHBondContact CD1-OG 3.38Å; F115-S141 PolarHBondContact N-OG 3.05Å; V139-S141 WeakPolarHBondContact CG1-O 3.34Å; S141-Y173 WeakPolarHBondContact CA-O 3.31Å; S141-Y173 WeakPolarHBondContact CB-O 3.4Å; S141-K174 WeakPolarHBondContact CB-O 3.18Å
142	L	98.3	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.6	-176	51	93.5	0	0	0	112.9	M107 T108 I109 F115 V139 V144 M164 Y173 F179 I188	M107-L142 HydrophobicContact CE-CD1 4.44Å; M107-L142 HydrophobicContact SD-CB 4.44Å; T108-L142 CarbonylContact O-C 3.53Å; T108-L142 VanDerWaalsContact O-CA 3.27Å; T108-L142 WeakPolarHBondContact O-CA 3.37Å; I109-L142 HydrophobicContact CG2-CB 4.4Å; F115-L142 WeakPolarHBondContact CE1-O 3.47Å; V139-L142 HydrophobicContact CG1-CB 4.48Å; V139-L142 HydrophobicContact CG1-CD2 4.22Å; L142-V144 HydrophobicContact CD1-CG2 4.19Å; L142-M164 HydrophobicContact CD1-CB 4.04Å; L142-M164 HydrophobicContact CD1-CE 4.45Å; L142-M164 HydrophobicContact CD1-CG 3.73Å; L142-M164 HydrophobicContact CD1-SD 3.61Å; L142-M164 HydrophobicContact CD2-CE 3.89Å; L142-M164 HydrophobicContact CD2-CG 4.19Å; L142-M164 HydrophobicContact CD2-SD 4.12Å; L142-M164 HydrophobicContact CG-SD 4.45Å; L142-Y173 HydrophobicContact CD1-CD1 4.43Å; L142-Y173 HydrophobicContact CD1-CD2 3.33Å; L142-Y173 HydrophobicContact CD1-CE2 4.1Å; L142-Y173 HydrophobicContact CD1-CG 3.52Å; L142-Y173 HydrophobicContact CG-CG 4.37Å; L142-Y173 PolarHBondContact N-O 2.93Å; L142-Y173 PolarHBondContact O-N 3.1Å; L142-F179 HydrophobicContact CD2-CD1 4.26Å; L142-F179 HydrophobicContact CD2-CE1 3.57Å; L142-F179 HydrophobicContact CD2-CE2 4.39Å; L142-F179 HydrophobicContact CD2-CZ 3.65Å; L142-F179 HydrophobicContact CG-CE1 3.85Å; L142-F179 HydrophobicContact CG-CZ 4.27Å; L142-I188 HydrophobicContact CD2-CD1 4.27Å
143	R	98.6	Very high	96.7	Very high	86 Å²	86	27.6 Å²	27.6	33%	0.325	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.1	174.6	-75.8	-178.1	163.9	158.8	-7.5	109.7	M107 T108 Y110 F115 Q145 G171 E172	M107-R143 CarbonylContact C-O 3.6Å; M107-R143 VanDerWaalsContact CA-O 3.23Å; M107-R143 WeakPolarHBondContact CA-O 3.34Å; M107-R143 WeakPolarHBondContact CG-O 3.4Å; T108-R143 PolarHBondContact N-O 2.86Å; T108-R143 PolarHBondContact O-N 2.86Å; Y110-R143 HydrophobicContact CE2-CB 4.41Å; Y110-R143 HydrophobicContact CE2-CG 4.18Å; F115-R143 HydrophobicContact CD1-CG 3.86Å; F115-R143 VanDerWaalsContact CD2-NH2 3.26Å; F115-R143 HydrophobicContact CE1-CG 3.56Å; F115-R143 HydrophobicContact CE2-CG 4.36Å; F115-R143 HydrophobicContact CG-CG 4.41Å; F115-R143 HydrophobicContact CZ-CG 3.82Å; R143-Q145 PolarHBondContact O-OE1 2.93Å; R143-Q145 VanDerWaalsContact O-OE1 3.07Å; R143-G171 CarbonylContact C-O 3.53Å; R143-G171 WeakPolarHBondContact CA-O 3.3Å; R143-E172 HydrophobicContact CG-CG 4.49Å; R143-E172 IonicContact CZ-OE1 3.42Å; R143-E172 IonicContact NE-OE1 3.2Å; R143-E172 PolarHBondContact NE-OE1 3.39Å; R143-E172 IonicContact NH2-OE1 3.64Å; R143-E172 PolarHBondContact NH2-OE1 2.93Å
144	V	98.3	Very high	96.7	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	102	173.7	-165.7	0	0	0	0	108.1	M107 L142 G147 F149 M164 C166 G171 Y173	M107-V144 HydrophobicContact CE-CG2 3.75Å; M107-V144 HydrophobicContact CG-CG2 4.48Å; L142-V144 HydrophobicContact CD1-CG2 4.19Å; V144-G147 WeakPolarHBondContact CG1-O 3.1Å; V144-F149 HydrophobicContact CG1-CD2 3.94Å; V144-F149 HydrophobicContact CG1-CE2 4.1Å; V144-M164 HydrophobicContact CG2-CB 3.64Å; V144-C166 HydrophobicContact CB-CB 4.23Å; V144-C166 HydrophobicContact CG1-CB 3.86Å; V144-C166 WeakPolarHBondContact O-CA 3.32Å; V144-C166 VanDerWaalsContact O-CB 3.32Å; V144-C166 WeakPolarHBondContact O-CB 3.17Å; V144-G171 PolarHBondContact N-O 2.83Å; V144-Y173 HydrophobicContact CG2-CD2 4.42Å; V144-Y173 HydrophobicContact CG2-CE2 4.05Å
145	Q	97.4	Very high	96.6	Very high	68 Å²	68	31.8 Å²	31.8	32%	0.318	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-30.8	-178.9	-62.7	94.9	-24.9	0	0	112.7	R106 M107 T108 R143	R106-Q145 VanDerWaalsContact C-OE1 3.26Å; R106-Q145 HydrophobicContact CB-CB 4.32Å; R106-Q145 HydrophobicContact CG-CB 4.38Å; R106-Q145 PolarHBondContact O-N 2.87Å; R106-Q145 PolarHBondContact O-OE1 3.35Å; M107-Q145 VanDerWaalsContact C-OE1 3.31Å; T108-Q145 PolarHBondContact OG1-NE2 3.31Å; R143-Q145 PolarHBondContact O-OE1 2.93Å; R143-Q145 VanDerWaalsContact O-OE1 3.07Å
146	S	96.6	Very high	96.8	Very high	23 Å²	23	28.5 Å²	28.5	16%	0.161	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152	176.8	67.7	0	0	0	0	110.8	E104 C105 R106	E104-S146 CarbonylContact O-C 3.55Å; E104-S146 VanDerWaalsContact O-CB 3.32Å; E104-S146 WeakPolarHBondContact O-CB 3.47Å; E104-S146 PolarHBondContact O-OG 3.07Å; C105-S146 WeakPolarHBondContact CA-O 3.23Å; R106-S146 PolarHBondContact N-O 2.86Å; R106-S146 PolarHBondContact N-OG 2.78Å; R106-S146 VanDerWaalsContact N-OG 3.17Å; R106-S146 PolarHBondContact O-N 2.96Å
147	G	95.8	Very high	97	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	77.7	-164.6	178.7	0	0	0	0	0	113.2	C99 V144 C166	C99-G147 CarbonylContact O-C 3.4Å; C99-G147 WeakPolarHBondContact O-CA 3.26Å; V144-G147 WeakPolarHBondContact CG1-O 3.1Å; G147-C166 PolarHBondContact O-N 3.19Å
148	A	97.3	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.9	173	0	0	0	0	0	110.2	I97 A100 M164 E165 I194	I97-A148 HydrophobicContact CG2-CB 3.53Å; A100-A148 HydrophobicContact CB-CB 4.46Å; A148-M164 CarbonylContact C-O 3.57Å; A148-M164 VanDerWaalsContact CA-O 3.29Å; A148-M164 WeakPolarHBondContact CA-O 3.15Å; A148-E165 HydrophobicContact CB-CG 4.18Å; A148-I194 HydrophobicContact CB-CB 4.28Å; A148-I194 HydrophobicContact CB-CD1 3.98Å; A148-I194 HydrophobicContact CB-CG1 4.42Å; A148-I194 PolarHBondContact O-N 3.43Å
149	F	98.1	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.2	-178.7	-66.1	-101.5	0	0	0	109.9	C105 M107 V144 M164 I191 R192 R193	C105-F149 HydrophobicContact CB-CE1 4.15Å; C105-F149 HydrophobicContact CB-CE2 3.82Å; C105-F149 HydrophobicContact CB-CZ 3.51Å; M107-F149 HydrophobicContact CB-CD2 4.06Å; M107-F149 HydrophobicContact CB-CE1 4.28Å; M107-F149 HydrophobicContact CB-CE2 3.62Å; M107-F149 HydrophobicContact CB-CZ 3.71Å; M107-F149 HydrophobicContact CE-CB 3.44Å; M107-F149 VanDerWaalsContact CE-CB 3.44Å; M107-F149 HydrophobicContact CE-CD1 4.34Å; M107-F149 HydrophobicContact CE-CD2 3.63Å; M107-F149 HydrophobicContact CE-CE2 4.41Å; M107-F149 HydrophobicContact CE-CG 3.56Å; V144-F149 HydrophobicContact CG1-CD2 3.94Å; V144-F149 HydrophobicContact CG1-CE2 4.1Å; F149-M164 PolarHBondContact N-O 2.98Å; F149-M164 PolarHBondContact O-N 3.37Å; F149-I191 HydrophobicContact CB-CG2 4.2Å; F149-I191 HydrophobicContact CD1-CG2 3.81Å; F149-I191 HydrophobicContact CG-CG2 4.39Å; F149-R192 CarbonylContact C-O 3.6Å; F149-R192 VanDerWaalsContact CA-O 3.31Å; F149-R192 WeakPolarHBondContact CA-O 3.33Å; F149-R193 HydrophobicContact CD1-CG 4.02Å; F149-R193 HydrophobicContact CE1-CG 3.64Å; F149-R193 HydrophobicContact CZ-CG 4.29Å
150	V	97.5	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.4	165.3	52.9	0	0	0	0	108.6	V68 Y152 Q161 Y162 I163 I191 R192 I194	V68-V150 HydrophobicContact CB-CB 4.5Å; V68-V150 HydrophobicContact CB-CG2 4.47Å; V68-V150 HydrophobicContact CG1-CG1 4.37Å; V68-V150 HydrophobicContact CG1-CG2 4.41Å; V150-Y152 HydrophobicContact CB-CE2 4.13Å; V150-Y152 HydrophobicContact CG1-CE2 3.58Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.43Å; V150-Y152 HydrophobicContact CG2-CD2 4.21Å; V150-Y152 HydrophobicContact CG2-CE1 4.05Å; V150-Y152 HydrophobicContact CG2-CE2 3.63Å; V150-Q161 HydrophobicContact CG2-CB 3.95Å; V150-Q161 HydrophobicContact CG2-CG 4.48Å; V150-Y162 WeakPolarHBondContact CA-O 3.34Å; V150-I163 HydrophobicContact CB-CD1 3.78Å; V150-I163 HydrophobicContact CG2-CD1 3.77Å; V150-I191 WeakPolarHBondContact O-CA 3.41Å; V150-R192 HydrophobicContact CG1-CG 3.44Å; V150-R192 VanDerWaalsContact CG1-CG 3.44Å; V150-R192 PolarHBondContact N-O 2.92Å; V150-R192 PolarHBondContact O-N 3.47Å; V150-I194 HydrophobicContact CB-CD1 4.35Å; V150-I194 HydrophobicContact CB-CG1 4.28Å; V150-I194 HydrophobicContact CG1-CG1 4.18Å
151	C	97.8	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.8	174.8	-62.7	0	0	0	0	109.5	Q161 Y162 M164 I188 I191	C151-Q161 CarbonylContact O-C 3.57Å; C151-Q161 WeakPolarHBondContact O-CA 3.31Å; C151-Y162 HydrophobicContact CB-CD2 4.35Å; C151-Y162 PolarHBondContact N-O 2.86Å; C151-Y162 PolarHBondContact O-N 3.15Å; C151-M164 HydrophobicContact CB-CE 4.47Å; C151-I188 HydrophobicContact CB-CD1 3.77Å; C151-I188 HydrophobicContact CB-CG1 4.16Å; C151-I188 HydrophobicContact CB-CG2 3.81Å; C151-I191 HydrophobicContact CB-CG1 4.31Å
152	Y	96.4	Very high	96.1	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.6	-178	-62.7	-93.8	0	0	0	111.7	V150 Y154 Y157 Y160 Q161 I188 Q189 S190 R192	V150-Y152 HydrophobicContact CB-CE2 4.13Å; V150-Y152 HydrophobicContact CG1-CE2 3.58Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.43Å; V150-Y152 HydrophobicContact CG2-CD2 4.21Å; V150-Y152 HydrophobicContact CG2-CE1 4.05Å; V150-Y152 HydrophobicContact CG2-CE2 3.63Å; Y152-Y154 VanDerWaalsContact C-N 3.29Å; Y152-Y154 PolarHBondContact O-N 3.42Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.36Å; Y152-Y157 AromaticContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.22Å; Y152-Y157 AromaticContact CE2-CD1 3.72Å; Y152-Y157 HydrophobicContact CE2-CD1 3.72Å; Y152-Y157 AromaticContact CE2-CG 3.98Å; Y152-Y157 HydrophobicContact CE2-CG 3.98Å; Y152-Y157 VanDerWaalsContact CG-CA 3.5Å; Y152-Y160 WeakPolarHBondContact CA-O 3.34Å; Y152-Q161 HydrophobicContact CD1-CG 3.88Å; Y152-Q161 HydrophobicContact CE1-CB 4.41Å; Y152-Q161 HydrophobicContact CE1-CG 3.59Å; Y152-I188 WeakPolarHBondContact O-CA 3.47Å; Y152-Q189 PolarHBondContact O-N 3.46Å; Y152-S190 WeakPolarHBondContact CB-OG 3.48Å; Y152-S190 PolarHBondContact N-O 3.48Å; Y152-S190 PolarHBondContact O-N 3.06Å; Y152-R192 HydrophobicContact CE2-CG 4.06Å; Y152-R192 PolarHBondContact OH-NE 2.9Å
153	Q	95.6	Very high	96.1	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.093	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-36.6	-180	-172.6	-178.2	14.5	0	0	113.6	R158 Y160 Q187 Q189	Q153-R158 PolarHBondContact N-O 3.32Å; Q153-Y160 PolarHBondContact N-O 3.22Å; Q153-Y160 VanDerWaalsContact N-O 3.13Å; Q153-Y160 VanDerWaalsContact OE1-CD2 3.22Å; Q153-Q187 HydrophobicContact CG-CB 4.3Å; Q153-Q187 HydrophobicContact CG-CG 3.94Å; Q153-Q189 WeakPolarHBondContact O-CG 3.37Å; Q153-Q189 PolarHBondContact O-NE2 3.05Å
154	Y	95.3	Very high	96	Very high	90 Å²	90	27.8 Å²	27.8	35%	0.353	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	160.4	-175.9	-60.1	-61.5	0	0	0	112.4	Y152 R158 S190	Y152-Y154 VanDerWaalsContact C-N 3.29Å; Y152-Y154 PolarHBondContact O-N 3.42Å; Y154-R158 PolarHBondContact N-O 3.37Å; Y154-S190 PolarHBondContact O-OG 2.96Å
155	P	95.8	Very high	96	Very high	39 Å²	39	27.7 Å²	27.7	25%	0.253	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	151.8	170.9	-22.6	34	0	0	0	112.2	P127 R158 Q189	P127-P155 CarbonylContact O-C 3.58Å; P127-P155 WeakPolarHBondContact O-CA 3.41Å; P155-R158 PolarHBondContact O-NE 3.46Å; P155-R158 PolarHBondContact O-NH2 3.35Å; P155-Q189 HydrophobicContact CG-CB 3.99Å
156	G	95.1	Very high	96	Very high	40 Å²	40	26.1 Å²	26.1	41%	0.412	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	27.4	179.5	0	0	0	0	0	113.9	P127 R158	P127-G156 PolarHBondContact O-N 3.22Å; G156-R158 VanDerWaalsContact O-CG 3.32Å; G156-R158 WeakPolarHBondContact O-CG 3.37Å
157	Y	94.4	Very high	95.9	Very high	61 Å²	61	29.2 Å²	29.2	24%	0.239	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	48.4	177.5	-43.8	-49.6	0	0	0	113.5	P127 Y152 S190 R192	P127-Y157 HydrophobicContact CB-CE1 4.29Å; P127-Y157 HydrophobicContact CB-CE2 4.22Å; P127-Y157 WeakPolarHBondContact CD-OH 3.26Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.36Å; Y152-Y157 AromaticContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.22Å; Y152-Y157 AromaticContact CE2-CD1 3.72Å; Y152-Y157 HydrophobicContact CE2-CD1 3.72Å; Y152-Y157 AromaticContact CE2-CG 3.98Å; Y152-Y157 HydrophobicContact CE2-CG 3.98Å; Y152-Y157 VanDerWaalsContact CG-CA 3.5Å; Y157-S190 WeakPolarHBondContact CA-OG 3.47Å; Y157-S190 PolarHBondContact N-OG 3.25Å; Y157-R192 HydrophobicContact CD1-CB 4.39Å; Y157-R192 HydrophobicContact CD1-CG 4.36Å; Y157-R192 HydrophobicContact CE1-CB 3.8Å; Y157-R192 HydrophobicContact CE1-CG 4.25Å
158	R	92.6	Very high	95.8	Very high	125 Å²	125	33.2 Å²	33.2	47%	0.472	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.5	-173.2	-51.7	-171.3	-72.9	150.5	0.2	112.6	S83 Q153 Y154 P155 G156	S83-R158 WeakPolarHBondContact OG-CA 3.32Å; S83-R158 WeakPolarHBondContact OG-CB 3.1Å; S83-R158 WeakPolarHBondContact OG-CG 3.12Å; Q153-R158 PolarHBondContact N-O 3.32Å; Y154-R158 PolarHBondContact N-O 3.37Å; P155-R158 PolarHBondContact O-NE 3.46Å; P155-R158 PolarHBondContact O-NH2 3.35Å; G156-R158 VanDerWaalsContact O-CG 3.32Å; G156-R158 WeakPolarHBondContact O-CG 3.37Å
159	G	92.1	Very high	95.4	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-157.7	-178.4	0	0	0	0	0	112	A85	A85-G159 VanDerWaalsContact CB-CA 3.48Å
160	Y	93.4	Very high	95.2	Very high	83 Å²	83	43.3 Å²	43.3	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.2	176.7	-63.1	-52.4	0	0	0	111.9	Y86 Y152 Q153 Y162	Y86-Y160 HydrophobicContact CD2-CD1 4.17Å; Y86-Y160 AromaticContact CD2-CE1 3.39Å; Y86-Y160 HydrophobicContact CD2-CE1 3.39Å; Y86-Y160 AromaticContact CE2-CE1 3.72Å; Y86-Y160 HydrophobicContact CE2-CE1 3.72Å; Y86-Y160 HydrophobicContact CG-CE1 4.18Å; Y152-Y160 WeakPolarHBondContact CA-O 3.34Å; Q153-Y160 PolarHBondContact N-O 3.22Å; Q153-Y160 VanDerWaalsContact N-O 3.13Å; Q153-Y160 VanDerWaalsContact OE1-CD2 3.22Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.42Å
161	Q	95.1	Very high	95.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.5	176.3	-47	-173.4	14.8	0	0	110.5	Q65 G81 V150 C151 Y152 H182	Q65-Q161 VanDerWaalsContact NE2-N 3.15Å; Q65-Q161 PolarHBondContact NE2-O 2.78Å; G81-Q161 PolarHBondContact O-NE2 3.08Å; V150-Q161 HydrophobicContact CG2-CB 3.95Å; V150-Q161 HydrophobicContact CG2-CG 4.48Å; C151-Q161 CarbonylContact O-C 3.57Å; C151-Q161 WeakPolarHBondContact O-CA 3.31Å; Y152-Q161 HydrophobicContact CD1-CG 3.88Å; Y152-Q161 HydrophobicContact CE1-CB 4.41Å; Y152-Q161 HydrophobicContact CE1-CG 3.59Å; Q161-H182 PolarHBondContact O-CE1 2.89Å; Q161-H182 VanDerWaalsContact O-CE1 3.32Å; Q161-H182 PolarHBondContact O-NE2 3.09Å
162	Y	96.9	Very high	95.2	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.4	175.5	-46.1	-82.1	0	0	0	109.8	V150 C151 Y160 M164 F179 H182 I188	V150-Y162 WeakPolarHBondContact CA-O 3.34Å; C151-Y162 HydrophobicContact CB-CD2 4.35Å; C151-Y162 PolarHBondContact N-O 2.86Å; C151-Y162 PolarHBondContact O-N 3.15Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.42Å; Y162-M164 HydrophobicContact CG-CE 4.37Å; Y162-F179 HydrophobicContact CD1-CB 3.83Å; Y162-F179 HydrophobicContact CG-CB 4.13Å; Y162-H182 AromaticContact CD1-CE1 3.87Å; Y162-H182 AromaticContact CD1-NE2 3.47Å; Y162-H182 WeakPolarHBondContact CD1-NE2 3.48Å; Y162-H182 AromaticContact CE1-CD2 3.76Å; Y162-H182 AromaticContact CE1-CE1 3.99Å; Y162-H182 AromaticContact CE1-NE2 3.2Å; Y162-H182 WeakPolarHBondContact CE1-NE2 3.34Å; Y162-I188 HydrophobicContact CD2-CG1 4.4Å
163	I	97.5	Very high	95.3	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.9	-177.8	-53.7	-54.6	0	0	0	109.6	V55 Q66 V68 I97 V150 E165 I194	V55-I163 HydrophobicContact CB-CG1 4.13Å; V55-I163 HydrophobicContact CG2-CB 4.46Å; V55-I163 HydrophobicContact CG2-CG1 3.67Å; Q66-I163 HydrophobicContact CB-CG1 4.34Å; V68-I163 HydrophobicContact CB-CD1 3.84Å; V68-I163 HydrophobicContact CG2-CD1 4.24Å; I97-I163 HydrophobicContact CD1-CG2 3.95Å; V150-I163 HydrophobicContact CB-CD1 3.78Å; V150-I163 HydrophobicContact CG2-CD1 3.77Å; I163-E165 HydrophobicContact CG2-CG 4.07Å; I163-I194 HydrophobicContact CD1-CD1 4.06Å; I163-I194 HydrophobicContact CG2-CD1 3.91Å
164	M	97.9	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.3	-178.9	-52.1	-58.2	173	0	0	109.3	M107 L142 V144 A148 F149 C151 Y162 Y173 F179	M107-M164 HydrophobicContact CE-CB 3.58Å; M107-M164 HydrophobicContact CE-CG 3.95Å; L142-M164 HydrophobicContact CD1-CB 4.04Å; L142-M164 HydrophobicContact CD1-CE 4.45Å; L142-M164 HydrophobicContact CD1-CG 3.73Å; L142-M164 HydrophobicContact CD1-SD 3.61Å; L142-M164 HydrophobicContact CD2-CE 3.89Å; L142-M164 HydrophobicContact CD2-CG 4.19Å; L142-M164 HydrophobicContact CD2-SD 4.12Å; L142-M164 HydrophobicContact CG-SD 4.45Å; V144-M164 HydrophobicContact CG2-CB 3.64Å; A148-M164 CarbonylContact C-O 3.57Å; A148-M164 VanDerWaalsContact CA-O 3.29Å; A148-M164 WeakPolarHBondContact CA-O 3.15Å; F149-M164 PolarHBondContact N-O 2.98Å; F149-M164 PolarHBondContact O-N 3.37Å; C151-M164 HydrophobicContact CB-CE 4.47Å; Y162-M164 HydrophobicContact CG-CE 4.37Å; M164-Y173 HydrophobicContact CB-CE2 4.36Å; M164-Y173 HydrophobicContact SD-CD1 3.82Å; M164-Y173 HydrophobicContact SD-CD2 4.37Å; M164-Y173 HydrophobicContact SD-CE1 3.7Å; M164-Y173 HydrophobicContact SD-CE2 4.28Å; M164-Y173 HydrophobicContact SD-CG 4.14Å; M164-F179 HydrophobicContact CE-CB 3.5Å; M164-F179 VanDerWaalsContact CE-CB 3.5Å; M164-F179 HydrophobicContact CE-CD1 3.47Å; M164-F179 VanDerWaalsContact CE-CD1 3.47Å; M164-F179 HydrophobicContact CE-CD2 3.96Å; M164-F179 HydrophobicContact CE-CE1 4.18Å; M164-F179 HydrophobicContact CE-CG 3.35Å; M164-F179 HydrophobicContact SD-CD1 4.17Å
165	E	97.4	Very high	95.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.6	-170.3	-74	171.2	-73.7	0	0	110.5	R95 I97 C99 A148 I163 D167 R168 Y173	R95-E165 IonicContact CZ-OE1 2.8Å; R95-E165 VanDerWaalsContact CZ-OE1 3.28Å; R95-E165 IonicContact CZ-OE2 3.13Å; R95-E165 VanDerWaalsContact NH1-CD 3.34Å; R95-E165 IonicContact NH1-OE1 3.18Å; R95-E165 PolarHBondContact NH1-OE1 2.72Å; R95-E165 VanDerWaalsContact NH1-OE1 3.11Å; R95-E165 IonicContact NH1-OE2 3.34Å; R95-E165 PolarHBondContact NH1-OE2 3.36Å; R95-E165 IonicContact NH2-OE1 3.06Å; R95-E165 PolarHBondContact NH2-OE1 2.96Å; R95-E165 IonicContact NH2-OE2 2.75Å; I97-E165 HydrophobicContact CG2-CG 3.97Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.24Å; C99-E165 VanDerWaalsContact SG-CB 3.55Å; A148-E165 HydrophobicContact CB-CG 4.18Å; I163-E165 HydrophobicContact CG2-CG 4.07Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 WeakPolarHBondContact CB-OD1 3.45Å; E165-D167 PolarHBondContact O-N 2.98Å; E165-R168 HydrophobicContact CB-CB 3.85Å; E165-Y173 PolarHBondContact N-OH 3Å
166	C	97.1	Very high	95.6	Very high	36 Å²	36	46.5 Å²	46.5	24%	0.243	23%	0.233	C	C	.	.	S	Bend	trans	-73.8	-22.2	178.2	70.4	0	0	0	0	113.7	C99 V144 G147 C170 G171	C99-C166 WeakPolarHBondContact CB-SG 3.3Å; V144-C166 HydrophobicContact CB-CB 4.23Å; V144-C166 HydrophobicContact CG1-CB 3.86Å; V144-C166 WeakPolarHBondContact O-CA 3.32Å; V144-C166 VanDerWaalsContact O-CB 3.32Å; V144-C166 WeakPolarHBondContact O-CB 3.17Å; G147-C166 PolarHBondContact O-N 3.19Å; C166-C170 CarbonylContact O-C 3.53Å; C166-G171 PolarHBondContact O-N 2.71Å
167	D	95	Very high	95.6	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	25%	0.246	S	C	.	.	S	Bend	trans	-93	-15.4	179.2	58.4	-0.2	0	0	0	113.4	C99 E165	C99-D167 HydrophobicContact CB-CB 4.39Å; C99-D167 PolarHBondContact SG-OD1 2.82Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 WeakPolarHBondContact CB-OD1 3.45Å; E165-D167 PolarHBondContact O-N 2.98Å
168	R	92.6	Very high	95.7	Very high	89 Å²	89	53.6 Å²	53.6	34%	0.336	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-93.1	137.8	174.7	-157.7	175.9	176.4	132.8	2	110.7	E165 C170 G171	E165-R168 HydrophobicContact CB-CB 3.85Å; R168-C170 PolarHBondContact O-N 2.88Å; R168-G171 WeakPolarHBondContact O-CA 3.21Å; R168-G171 PolarHBondContact O-N 3.13Å
169	H	89.8	Confident	95.9	Very high	95 Å²	95	47.8 Å²	47.8	44%	0.44	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	52.6	25.6	-173.5	-56	-75.9	0	0	0	113.8	G171 E172 Y173	H169-G171 PolarHBondContact O-N 3.43Å; H169-E172 VanDerWaalsContact CB-O 3.28Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 PolarHBondContact O-N 2.9Å; H169-Y173 AromaticContact CD2-CE1 3.71Å
170	C	93.8	Very high	96	Very high	117 Å²	117	48 Å²	48	79%	0.791	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	54.7	30.5	-170.3	-54.3	0	0	0	0	113.3	C166 R168 E172	C166-C170 CarbonylContact O-C 3.53Å; R168-C170 PolarHBondContact O-N 2.88Å; C170-E172 PolarHBondContact O-N 3.32Å
171	G	97.3	Very high	96	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.021	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	69.9	7.2	-175	0	0	0	0	0	114	R143 V144 C166 R168 H169	R143-G171 CarbonylContact C-O 3.53Å; R143-G171 WeakPolarHBondContact CA-O 3.3Å; V144-G171 PolarHBondContact N-O 2.83Å; C166-G171 PolarHBondContact O-N 2.71Å; R168-G171 WeakPolarHBondContact O-CA 3.21Å; R168-G171 PolarHBondContact O-N 3.13Å; H169-G171 PolarHBondContact O-N 3.43Å
172	E	98.3	Very high	95.9	Very high	58 Å²	58	48.2 Å²	48.2	27%	0.271	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.4	-177.5	-70.6	-151.4	143	0	0	111.3	F115 R143 H169 C170 K174	F115-E172 HydrophobicContact CE2-CB 4.42Å; F115-E172 HydrophobicContact CE2-CG 4.32Å; F115-E172 HydrophobicContact CZ-CB 3.83Å; F115-E172 HydrophobicContact CZ-CG 4.06Å; R143-E172 HydrophobicContact CG-CG 4.49Å; R143-E172 IonicContact CZ-OE1 3.42Å; R143-E172 IonicContact NE-OE1 3.2Å; R143-E172 PolarHBondContact NE-OE1 3.39Å; R143-E172 IonicContact NH2-OE1 3.64Å; R143-E172 PolarHBondContact NH2-OE1 2.93Å; H169-E172 VanDerWaalsContact CB-O 3.28Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 PolarHBondContact O-N 2.9Å; C170-E172 PolarHBondContact O-N 3.32Å; E172-K174 WeakPolarHBondContact OE2-CE 3.38Å; E172-K174 IonicContact OE2-NZ 3.63Å; E172-K174 PolarHBondContact OE2-NZ 3.43Å
173	Y	98.4	Very high	95.8	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	96.7	176.6	-62.3	-103.4	0	0	0	108.9	S141 L142 V144 M164 E165 H169 E178 F179	S141-Y173 WeakPolarHBondContact CA-O 3.31Å; S141-Y173 WeakPolarHBondContact CB-O 3.4Å; L142-Y173 HydrophobicContact CD1-CD1 4.43Å; L142-Y173 HydrophobicContact CD1-CD2 3.33Å; L142-Y173 HydrophobicContact CD1-CE2 4.1Å; L142-Y173 HydrophobicContact CD1-CG 3.52Å; L142-Y173 HydrophobicContact CG-CG 4.37Å; L142-Y173 PolarHBondContact N-O 2.93Å; L142-Y173 PolarHBondContact O-N 3.1Å; V144-Y173 HydrophobicContact CG2-CD2 4.42Å; V144-Y173 HydrophobicContact CG2-CE2 4.05Å; M164-Y173 HydrophobicContact CB-CE2 4.36Å; M164-Y173 HydrophobicContact SD-CD1 3.82Å; M164-Y173 HydrophobicContact SD-CD2 4.37Å; M164-Y173 HydrophobicContact SD-CE1 3.7Å; M164-Y173 HydrophobicContact SD-CE2 4.28Å; M164-Y173 HydrophobicContact SD-CG 4.14Å; E165-Y173 PolarHBondContact N-OH 3Å; H169-Y173 AromaticContact CD2-CE1 3.71Å; Y173-E178 VanDerWaalsContact CA-OE2 3.32Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.46Å; Y173-E178 HydrophobicContact CD1-CB 4.15Å; Y173-E178 WeakPolarHBondContact CD1-O 3.44Å; Y173-F179 HydrophobicContact CD1-CD1 4.27Å
174	K	98.3	Very high	95.6	Very high	82 Å²	82	55.5 Å²	55.5	36%	0.357	28%	0.275	S	S	.	.			trans	-83.5	-20.2	-168.1	-72.4	173.1	-177.7	164.2	0	113.6	E113 N114 F115 S141 E172 E178	E113-K174 CarbonylContact C-O 3.58Å; E113-K174 WeakPolarHBondContact CA-O 3.38Å; E113-K174 WeakPolarHBondContact CB-O 3.45Å; N114-K174 PolarHBondContact N-O 3.45Å; F115-K174 HydrophobicContact CD2-CG 4.47Å; F115-K174 HydrophobicContact CE1-CG 4.16Å; F115-K174 HydrophobicContact CE2-CD 4.21Å; F115-K174 VanDerWaalsContact CE2-CE 3.49Å; F115-K174 HydrophobicContact CE2-CG 3.61Å; F115-K174 HydrophobicContact CZ-CB 4.47Å; F115-K174 HydrophobicContact CZ-CD 4.39Å; F115-K174 HydrophobicContact CZ-CG 3.41Å; F115-K174 VanDerWaalsContact CZ-CG 3.41Å; S141-K174 WeakPolarHBondContact CB-O 3.18Å; E172-K174 WeakPolarHBondContact OE2-CE 3.38Å; E172-K174 IonicContact OE2-NZ 3.63Å; E172-K174 PolarHBondContact OE2-NZ 3.43Å; K174-E178 PolarHBondContact N-OE2 2.85Å
175	H	97.8	Very high	95.5	Very high	47 Å²	47	57.3 Å²	57.3	22%	0.218	29%	0.287	C	S	.	.	S	Bend	trans	-148.6	147.1	-173.8	-174.9	-72.3	0	0	0	109.9	E113 R177 E178	E113-H175 IonicContact OE1-CD2 2.94Å; E113-H175 PolarHBondContact OE1-CD2 2.98Å; E113-H175 IonicContact OE1-CE1 3.77Å; E113-H175 IonicContact OE1-CG 3.6Å; E113-H175 IonicContact OE1-NE2 2.89Å; E113-H175 PolarHBondContact OE1-NE2 3.37Å; E113-H175 IonicContact OE2-CD2 3.7Å; E113-H175 PolarHBondContact OE2-CD2 3.01Å; E113-H175 IonicContact OE2-NE2 3.72Å; H175-R177 WeakPolarHBondContact ND1-CB 3.22Å; H175-R177 PolarHBondContact ND1-N 3.48Å; H175-R177 VanDerWaalsContact ND1-N 3.16Å; H175-R177 PolarHBondContact O-N 2.95Å; H175-R177 VanDerWaalsContact O-N 3.1Å; H175-E178 VanDerWaalsContact O-CB 3.3Å; H175-E178 WeakPolarHBondContact O-CB 3.4Å; H175-E178 PolarHBondContact O-N 3.36Å
176	F	95.9	Very high	95.5	Very high	30 Å²	30	58.2 Å²	58.2	13%	0.132	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.4	-174.6	68.1	-91.6	0	0	0	114.5	E178 F179 S183 Q184 P186	F176-E178 PolarHBondContact O-N 2.87Å; F176-F179 HydrophobicContact CB-CD2 3.94Å; F176-F179 HydrophobicContact CB-CE2 3.79Å; F176-F179 HydrophobicContact CB-CZ 4.26Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 WeakPolarHBondContact O-CG 3.49Å; F176-F179 PolarHBondContact O-N 3.2Å; F176-S183 WeakPolarHBondContact O-CB 3.49Å; F176-S183 PolarHBondContact O-OG 3.15Å; F176-Q184 WeakPolarHBondContact CE2-O 3.19Å; F176-P186 HydrophobicContact CB-CB 3.95Å; F176-P186 HydrophobicContact CD1-CB 4.36Å; F176-P186 HydrophobicContact CG-CB 4.37Å
177	R	96	Very high	95.6	Very high	182 Å²	182	58.4 Å²	58.4	69%	0.687	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-58.1	-20.7	171.4	-70.5	174.8	-176.5	-179.6	1.1	114.3	H175 F179	H175-R177 WeakPolarHBondContact ND1-CB 3.22Å; H175-R177 PolarHBondContact ND1-N 3.48Å; H175-R177 VanDerWaalsContact ND1-N 3.16Å; H175-R177 PolarHBondContact O-N 2.95Å; H175-R177 VanDerWaalsContact O-N 3.1Å; R177-F179 VanDerWaalsContact C-N 3.32Å
178	E	96.5	Very high	95.7	Very high	69 Å²	69	54.3 Å²	54.3	32%	0.322	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-82.6	-12.2	175.3	-60.7	171.5	-156.5	0	0	112	Y173 K174 H175 F176 G180	Y173-E178 VanDerWaalsContact CA-OE2 3.32Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.46Å; Y173-E178 HydrophobicContact CD1-CB 4.15Å; Y173-E178 WeakPolarHBondContact CD1-O 3.44Å; K174-E178 PolarHBondContact N-OE2 2.85Å; H175-E178 VanDerWaalsContact O-CB 3.3Å; H175-E178 WeakPolarHBondContact O-CB 3.4Å; H175-E178 PolarHBondContact O-N 3.36Å; F176-E178 PolarHBondContact O-N 2.87Å; E178-G180 PolarHBondContact O-N 3.38Å
179	F	95.9	Very high	96	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	26%	0.256	C	S	.	.	S	Bend	trans	-69.1	-23.2	178.5	-61.3	-5.6	0	0	0	112.4	Q66 L142 Y162 M164 Y173 F176 R177 I188	Q66-F179 PolarHBondContact NE2-O 2.67Å; L142-F179 HydrophobicContact CD2-CD1 4.26Å; L142-F179 HydrophobicContact CD2-CE1 3.57Å; L142-F179 HydrophobicContact CD2-CE2 4.39Å; L142-F179 HydrophobicContact CD2-CZ 3.65Å; L142-F179 HydrophobicContact CG-CE1 3.85Å; L142-F179 HydrophobicContact CG-CZ 4.27Å; Y162-F179 HydrophobicContact CD1-CB 3.83Å; Y162-F179 HydrophobicContact CG-CB 4.13Å; M164-F179 HydrophobicContact CE-CB 3.5Å; M164-F179 VanDerWaalsContact CE-CB 3.5Å; M164-F179 HydrophobicContact CE-CD1 3.47Å; M164-F179 VanDerWaalsContact CE-CD1 3.47Å; M164-F179 HydrophobicContact CE-CD2 3.96Å; M164-F179 HydrophobicContact CE-CE1 4.18Å; M164-F179 HydrophobicContact CE-CG 3.35Å; M164-F179 HydrophobicContact SD-CD1 4.17Å; Y173-F179 HydrophobicContact CD1-CD1 4.27Å; F176-F179 HydrophobicContact CB-CD2 3.94Å; F176-F179 HydrophobicContact CB-CE2 3.79Å; F176-F179 HydrophobicContact CB-CZ 4.26Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 WeakPolarHBondContact O-CG 3.49Å; F176-F179 PolarHBondContact O-N 3.2Å; R177-F179 VanDerWaalsContact C-N 3.32Å; F179-I188 HydrophobicContact CD2-CD1 3.91Å; F179-I188 HydrophobicContact CE2-CD1 3.5Å; F179-I188 HydrophobicContact CE2-CG1 4.46Å; F179-I188 HydrophobicContact CZ-CD1 4.21Å
180	G	94.4	Very high	96.3	Very high	13 Å²	13	46.3 Å²	46.3	13%	0.134	24%	0.235	C	C	.	.			trans	160.3	157.5	-178.4	0	0	0	0	0	111.9	Q66 E178 H182 S183	Q66-G180 VanDerWaalsContact NE2-CA 3.27Å; E178-G180 PolarHBondContact O-N 3.38Å; G180-H182 PolarHBondContact O-N 3.25Å; G180-S183 WeakPolarHBondContact O-CB 3.29Å; G180-S183 PolarHBondContact O-N 2.73Å
181	S	95	Very high	96.6	Very high	64 Å²	64	40.8 Å²	40.8	45%	0.448	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.3	-179.3	74.8	0	0	0	0	113.7	Q63 G64 S183	Q63-S181 PolarHBondContact OE1-OG 3.17Å; G64-S181 PolarHBondContact N-OG 3.18Å; S181-S183 VanDerWaalsContact C-N 3.34Å
182	H	92.6	Very high	96.6	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.125	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	175.9	70.2	-87.7	0	0	0	113.1	G64 Q65 Q161 Y162 G180 Q184	G64-H182 PolarHBondContact O-ND1 2.87Å; Q65-H182 PolarHBondContact NE2-NE2 3.2Å; Q65-H182 PolarHBondContact OE1-CD2 2.86Å; Q65-H182 PolarHBondContact OE1-NE2 3.16Å; Q161-H182 PolarHBondContact O-CE1 2.89Å; Q161-H182 VanDerWaalsContact O-CE1 3.32Å; Q161-H182 PolarHBondContact O-NE2 3.09Å; Y162-H182 AromaticContact CD1-CE1 3.87Å; Y162-H182 AromaticContact CD1-NE2 3.47Å; Y162-H182 WeakPolarHBondContact CD1-NE2 3.48Å; Y162-H182 AromaticContact CE1-CD2 3.76Å; Y162-H182 AromaticContact CE1-CE1 3.99Å; Y162-H182 AromaticContact CE1-NE2 3.2Å; Y162-H182 WeakPolarHBondContact CE1-NE2 3.34Å; G180-H182 PolarHBondContact O-N 3.25Å; H182-Q184 PolarHBondContact O-N 3.34Å
183	S	94.5	Very high	96.5	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.042	20%	0.196	C	C	.	.			trans	-71.1	115	-175.8	-173.9	0	0	0	0	111.7	F176 G180 S181	F176-S183 WeakPolarHBondContact O-CB 3.49Å; F176-S183 PolarHBondContact O-OG 3.15Å; G180-S183 WeakPolarHBondContact O-CB 3.29Å; G180-S183 PolarHBondContact O-N 2.73Å; S181-S183 VanDerWaalsContact C-N 3.34Å
184	Q	94.1	Very high	96.4	Very high	153 Å²	153	41 Å²	41	72%	0.715	20%	0.195	S	C	*	.			trans	-109.3	-14.4	179.3	-59.8	-57.9	-38.8	0	0	113.5	F176 H182	F176-Q184 WeakPolarHBondContact CE2-O 3.19Å; H182-Q184 PolarHBondContact O-N 3.34Å
185	T	95.7	Very high	96	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	20%	0.2	C	C	.	.			trans	-147.4	150.3	-174.1	169.9	0	0	0	0	110.2	Q187	T185-Q187 HydrophobicContact CG2-CB 3.87Å; T185-Q187 PolarHBondContact O-N 2.93Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T185-Q187 PolarHBondContact OG1-N 3.08Å; T185-Q187 VanDerWaalsContact OG1-N 3.14Å
186	P	97.3	Very high	95	Very high	21 Å²	21	43.9 Å²	43.9	14%	0.136	21%	0.21	C	C	.	.			trans	-75.1	8.5	170.2	32.7	-37.2	0	0	0	113.9	E138 V139 F176 I188	E138-P186 WeakPolarHBondContact CA-O 3.38Å; E138-P186 HydrophobicContact CB-CB 4.28Å; E138-P186 HydrophobicContact CB-CG 4.1Å; E138-P186 HydrophobicContact CG-CG 4.08Å; V139-P186 PolarHBondContact N-O 3.13Å; V139-P186 WeakPolarHBondContact O-CB 3.31Å; F176-P186 HydrophobicContact CB-CB 3.95Å; F176-P186 HydrophobicContact CD1-CB 4.36Å; F176-P186 HydrophobicContact CG-CB 4.37Å; P186-I188 PolarHBondContact O-N 3.49Å; P186-I188 VanDerWaalsContact O-N 3.14Å
187	Q	97.6	Very high	95	Very high	40 Å²	40	44.6 Å²	44.6	19%	0.187	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-63.4	113.1	-177.1	-172.9	179.8	19	0	0	112.2	N137 Q153 T185	N137-Q187 WeakPolarHBondContact O-CA 3.47Å; N137-Q187 WeakPolarHBondContact O-CG 3.2Å; Q153-Q187 HydrophobicContact CG-CB 4.3Å; Q153-Q187 HydrophobicContact CG-CG 3.94Å; T185-Q187 HydrophobicContact CG2-CB 3.87Å; T185-Q187 PolarHBondContact O-N 2.93Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T185-Q187 PolarHBondContact OG1-N 3.08Å; T185-Q187 VanDerWaalsContact OG1-N 3.14Å
188	I	98	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-141	126.3	175.4	-65.4	173.7	0	0	0	107.5	L129 N137 V139 L142 C151 Y152 Y162 F179 P186 I191	L129-I188 HydrophobicContact CD1-CG2 4.1Å; N137-I188 PolarHBondContact O-N 3.41Å; V139-I188 HydrophobicContact CB-CB 4.17Å; V139-I188 HydrophobicContact CB-CD1 4.18Å; V139-I188 HydrophobicContact CG2-CB 3.98Å; V139-I188 HydrophobicContact CG2-CG2 4.3Å; L142-I188 HydrophobicContact CD2-CD1 4.27Å; C151-I188 HydrophobicContact CB-CD1 3.77Å; C151-I188 HydrophobicContact CB-CG1 4.16Å; C151-I188 HydrophobicContact CB-CG2 3.81Å; Y152-I188 WeakPolarHBondContact O-CA 3.47Å; Y162-I188 HydrophobicContact CD2-CG1 4.4Å; F179-I188 HydrophobicContact CD2-CD1 3.91Å; F179-I188 HydrophobicContact CE2-CD1 3.5Å; F179-I188 HydrophobicContact CE2-CG1 4.46Å; F179-I188 HydrophobicContact CZ-CD1 4.21Å; P186-I188 PolarHBondContact O-N 3.49Å; P186-I188 VanDerWaalsContact O-N 3.14Å; I188-I191 HydrophobicContact CG2-CD1 3.91Å; I188-I191 HydrophobicContact CG2-CG1 3.73Å
189	Q	97.9	Very high	94.8	Very high	17 Å²	17	35.6 Å²	35.6	8%	0.079	18%	0.181	C	C	.	.			trans	-132.1	-10.4	-174	-63.6	-175.3	77.1	0	0	114.3	S128 L129 N137 Y152 Q153 P155	S128-Q189 WeakPolarHBondContact CA-O 3.49Å; L129-Q189 PolarHBondContact N-O 3.13Å; N137-Q189 HydrophobicContact CB-CG 4.08Å; N137-Q189 PolarHBondContact OD1-OE1 3.34Å; Y152-Q189 PolarHBondContact O-N 3.46Å; Q153-Q189 WeakPolarHBondContact O-CG 3.37Å; Q153-Q189 PolarHBondContact O-NE2 3.05Å; P155-Q189 HydrophobicContact CG-CB 3.99Å
190	S	97.9	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.7	165.7	59.9	0	0	0	0	110.9	Y126 P127 Y152 Y154 Y157	Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.14Å; Y126-S190 WeakPolarHBondContact O-CB 3.44Å; P127-S190 VanDerWaalsContact O-CB 3.31Å; P127-S190 WeakPolarHBondContact O-CB 3.4Å; Y152-S190 WeakPolarHBondContact CB-OG 3.48Å; Y152-S190 PolarHBondContact N-O 3.48Å; Y152-S190 PolarHBondContact O-N 3.06Å; Y154-S190 PolarHBondContact O-OG 2.96Å; Y157-S190 WeakPolarHBondContact CA-OG 3.47Å; Y157-S190 PolarHBondContact N-OG 3.25Å
191	I	98.3	Very high	94.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.3	-175.4	-60.4	179.9	0	0	0	107.3	M107 I109 L122 Y126 L129 F149 V150 C151 I188	M107-I191 HydrophobicContact SD-CD1 4.32Å; M107-I191 HydrophobicContact SD-CG2 4.47Å; I109-I191 HydrophobicContact CG2-CD1 3.88Å; L122-I191 HydrophobicContact CD2-CB 4.03Å; L122-I191 HydrophobicContact CD2-CD1 3.73Å; L122-I191 HydrophobicContact CD2-CG1 4.41Å; L122-I191 HydrophobicContact CD2-CG2 4.06Å; Y126-I191 CarbonylContact C-O 3.54Å; Y126-I191 PolarHBondContact N-O 3.43Å; Y126-I191 PolarHBondContact O-N 2.81Å; L129-I191 HydrophobicContact CD1-CD1 3.97Å; L129-I191 HydrophobicContact CD1-CG1 4.23Å; L129-I191 HydrophobicContact CD2-CB 4.47Å; L129-I191 HydrophobicContact CD2-CD1 4.06Å; L129-I191 HydrophobicContact CD2-CG1 4.14Å; L129-I191 HydrophobicContact CG-CG1 4.49Å; F149-I191 HydrophobicContact CB-CG2 4.2Å; F149-I191 HydrophobicContact CD1-CG2 3.81Å; F149-I191 HydrophobicContact CG-CG2 4.39Å; V150-I191 WeakPolarHBondContact O-CA 3.41Å; C151-I191 HydrophobicContact CB-CG1 4.31Å; I188-I191 HydrophobicContact CG2-CD1 3.91Å; I188-I191 HydrophobicContact CG2-CG1 3.73Å
192	R	97.3	Very high	94.8	Very high	32 Å²	32	37.4 Å²	37.4	12%	0.121	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.8	169.9	68.3	-178.5	-172.4	86.1	-14.5	111	V68 E70 D125 F149 V150 Y152 Y157	V68-R192 VanDerWaalsContact CG1-NH2 3.31Å; E70-R192 VanDerWaalsContact CD-NH1 3.32Å; E70-R192 IonicContact OE1-CZ 2.76Å; E70-R192 IonicContact OE1-NH1 3.55Å; E70-R192 PolarHBondContact OE1-NH1 3.07Å; E70-R192 IonicContact OE1-NH2 2.62Å; E70-R192 IonicContact OE2-CZ 3.71Å; E70-R192 IonicContact OE2-NH1 3.11Å; E70-R192 PolarHBondContact OE2-NH1 3.48Å; E70-R192 VanDerWaalsContact OE2-NH1 3.13Å; E70-R192 IonicContact OE2-NH2 3.28Å; E70-R192 PolarHBondContact OE2-NH2 2.87Å; D125-R192 HydrophobicContact CB-CB 3.87Å; D125-R192 WeakPolarHBondContact OD1-CA 3.44Å; F149-R192 CarbonylContact C-O 3.6Å; F149-R192 VanDerWaalsContact CA-O 3.31Å; F149-R192 WeakPolarHBondContact CA-O 3.33Å; V150-R192 HydrophobicContact CG1-CG 3.44Å; V150-R192 VanDerWaalsContact CG1-CG 3.44Å; V150-R192 PolarHBondContact N-O 2.92Å; V150-R192 PolarHBondContact O-N 3.47Å; Y152-R192 HydrophobicContact CE2-CG 4.06Å; Y152-R192 PolarHBondContact OH-NE 2.9Å; Y157-R192 HydrophobicContact CD1-CB 4.39Å; Y157-R192 HydrophobicContact CD1-CG 4.36Å; Y157-R192 HydrophobicContact CE1-CB 3.8Å; Y157-R192 HydrophobicContact CE1-CG 4.25Å
193	R	97.4	Very high	94.9	Very high	37 Å²	37	38.1 Å²	38.1	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	146.6	171.3	-60.5	168.3	-68.8	-166.1	6.7	109.7	H102 C105 S123 D124 D125 F149	H102-R193 PolarHBondContact CE1-NE 2.94Å; C105-R193 HydrophobicContact CB-CB 4.35Å; C105-R193 HydrophobicContact CB-CG 3.6Å; S123-R193 WeakPolarHBondContact O-CD 3.13Å; S123-R193 PolarHBondContact O-NH1 2.88Å; D124-R193 IonicContact OD1-CZ 2.83Å; D124-R193 IonicContact OD1-NH1 3.59Å; D124-R193 PolarHBondContact OD1-NH1 3.01Å; D124-R193 IonicContact OD1-NH2 3.91Å; D125-R193 WeakPolarHBondContact OD1-CB 3.49Å; D125-R193 WeakPolarHBondContact OD1-CG 3.5Å; D125-R193 IonicContact OD1-CZ 3.56Å; D125-R193 PolarHBondContact OD1-N 3.4Å; D125-R193 IonicContact OD1-NE 3.68Å; D125-R193 PolarHBondContact OD1-NE 3.11Å; D125-R193 IonicContact OD1-NH2 3.36Å; D125-R193 IonicContact OD2-CZ 2.81Å; D125-R193 IonicContact OD2-NE 3.84Å; D125-R193 IonicContact OD2-NH2 3.85Å; D125-R193 PolarHBondContact OD2-NH2 3.14Å; F149-R193 HydrophobicContact CD1-CG 4.02Å; F149-R193 HydrophobicContact CE1-CG 3.64Å; F149-R193 HydrophobicContact CZ-CG 4.29Å
194	I	96.1	Very high	94.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-86.1	133.4	173.1	-61.7	-179.9	0	0	0	109.1	A53 V68 E70 I97 A100 A148 V150 I163	A53-I194 HydrophobicContact CB-CG2 3.48Å; A53-I194 VanDerWaalsContact CB-CG2 3.48Å; V68-I194 HydrophobicContact CG2-CD1 3.93Å; V68-I194 HydrophobicContact CG2-CG1 4.02Å; V68-I194 HydrophobicContact CG2-CG2 4.08Å; E70-I194 HydrophobicContact CG-CG2 4.32Å; E70-I194 WeakPolarHBondContact OE1-CA 3.36Å; I97-I194 HydrophobicContact CD1-CD1 3.74Å; I97-I194 HydrophobicContact CD1-CG2 4.26Å; A100-I194 HydrophobicContact CB-CG2 4.11Å; A148-I194 HydrophobicContact CB-CB 4.28Å; A148-I194 HydrophobicContact CB-CD1 3.98Å; A148-I194 HydrophobicContact CB-CG1 4.42Å; A148-I194 PolarHBondContact O-N 3.43Å; V150-I194 HydrophobicContact CB-CD1 4.35Å; V150-I194 HydrophobicContact CB-CG1 4.28Å; V150-I194 HydrophobicContact CG1-CG1 4.18Å; I163-I194 HydrophobicContact CD1-CD1 4.06Å; I163-I194 HydrophobicContact CG2-CD1 3.91Å
195	Q	89.6	Confident	95	Very high	100 Å²	100	31.3 Å²	31.3	47%	0.467	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-95.7	139	177.5	-58.9	-178.6	23.8	0	0	110	A53 E70	A53-Q195 WeakPolarHBondContact CB-O 3.45Å; E70-Q195 WeakPolarHBondContact CG-O 3.49Å; E70-Q195 PolarHBondContact OE1-N 3.14Å
196	Q	77.2	Confident	95	Very high	89 Å²	89	30.5 Å²	30.5	42%	0.416	14%	0.141	S	C	.	.			trans	-99	0	176.2	60.9	174.3	-11.7	0	0	112.1	F8 G52 A100	F8-Q196 VanDerWaalsContact CE1-NE2 3.3Å; F8-Q196 VanDerWaalsContact CZ-NE2 3.27Å; G52-Q196 PolarHBondContact N-OXT 3.1Å; A100-Q196 PolarHBondContact O-OE1 3.27Å

Retrieved 196 of 196 residues in 148.6 ms (Link to these results)

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