A0A087YFU5_POEFO Loading...

Beta-crystallin A4

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

AlphaFold DB , UniProt , Accession A0A087YFU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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	32.7	Very low	42.3	Very low	235 Å²	235	146.1 Å²	146.1	100%	1.158	78%	0.782	S	S	*	*				0	99.5	0	-146	172.5	-76	0	0	105.9	H3	M1-H3 PolarHBondContact O-N 3.07Å
2	T	30.4	Very low	46.4	Very low	127 Å²	127	141.6 Å²	141.6	78%	0.779	75%	0.746	S	S	*	*			trans	-69.8	111.1	-173.8	30.7	0	0	0	0	109.3	H4	T2-H4 PolarHBondContact O-N 2.91Å; T2-H4 VanDerWaalsContact O-N 3.07Å
3	H	33	Very low	50.3	Low	188 Å²	188	133.6 Å²	133.6	87%	0.87	70%	0.701	S	S	*	*			trans	-65.9	107.9	167.5	-80.3	-86.4	0	0	0	107.9	M1 C5	M1-H3 PolarHBondContact O-N 3.07Å; H3-C5 VanDerWaalsContact C-N 3.3Å; H3-C5 PolarHBondContact O-N 3.38Å
4	H	33.8	Very low	53.7	Low	170 Å²	170	124.1 Å²	124.1	79%	0.787	65%	0.651	S	S	*	*			trans	-63.6	95.9	164.6	-83.7	-76.8	0	0	0	107.8	T2 T6	T2-H4 PolarHBondContact O-N 2.91Å; T2-H4 VanDerWaalsContact O-N 3.07Å; H4-T6 VanDerWaalsContact C-N 3.34Å; H4-T6 PolarHBondContact O-N 3.47Å
5	C	34.8	Very low	56.7	Low	114 Å²	114	116.9 Å²	116.9	77%	0.77	61%	0.613	S	S	*	*			trans	-66.2	100	160.5	-175.3	0	0	0	0	106.4	H3 K7	H3-C5 VanDerWaalsContact C-N 3.3Å; H3-C5 PolarHBondContact O-N 3.38Å; C5-K7 VanDerWaalsContact C-N 3.34Å; C5-K7 PolarHBondContact O-N 2.97Å
6	T	38.2	Very low	59.3	Low	105 Å²	105	109.6 Å²	109.6	64%	0.644	58%	0.575	S	S	*	*			trans	-61	99.7	170.1	39.4	0	0	0	0	107.7	H4 F8	H4-T6 VanDerWaalsContact C-N 3.34Å; H4-T6 PolarHBondContact O-N 3.47Å; T6-F8 PolarHBondContact O-N 2.59Å
7	K	36.3	Very low	61.6	Low	196 Å²	196	104.2 Å²	104.2	85%	0.852	55%	0.545	S	S	*	.			trans	-53.7	108.5	167.7	-75	-178.5	174.8	-178.1	0	108.4	C5 S9	C5-K7 VanDerWaalsContact C-N 3.34Å; C5-K7 PolarHBondContact O-N 2.97Å; K7-S9 PolarHBondContact O-N 2.92Å
8	F	45.6	Very low	63.5	Low	126 Å²	126	100.9 Å²	100.9	55%	0.553	53%	0.528	S	S	*	.			trans	-69.9	125.9	162.2	-87.5	-86.6	0	0	0	108.6	T6 G10 Q196	T6-F8 PolarHBondContact O-N 2.59Å; F8-G10 PolarHBondContact O-N 3.16Å; F8-Q196 VanDerWaalsContact CE1-NE2 3.29Å
9	S	44.2	Very low	65.3	Low	127 Å²	127	101.2 Å²	101.2	89%	0.888	53%	0.527	S	S	*	.			trans	-97.4	61.4	-170.3	60.4	0	0	0	0	111.8	K7	K7-S9 PolarHBondContact O-N 2.92Å
10	G	57.8	Low	66.7	Low	50 Å²	50	101.3 Å²	101.3	52%	0.515	52%	0.524	S	S	.	.	S	Bend	trans	-145.4	131	167.4	0	0	0	0	0	108.8	F8 W12	F8-G10 PolarHBondContact O-N 3.16Å; G10-W12 PolarHBondContact O-N 2.81Å
11	H	78.9	Confident	68.2	Low	169 Å²	169	99.9 Å²	99.9	78%	0.782	52%	0.523	S	S	*	.			trans	-63.2	124	170.4	-65.2	-79.2	0	0	0	107.6	S51	H11-S51 PolarHBondContact O-OG 3.18Å
12	W	91.6	Very high	71.3	Confident	92 Å²	92	90.1 Å²	90.1	35%	0.348	47%	0.474	S	S	.	.			trans	-59.2	140.2	168.4	-61.5	-45.2	0	0	0	108.9	G10 T30 W54 P96 A98	G10-W12 PolarHBondContact O-N 2.81Å; W12-T30 VanDerWaalsContact O-CA 3.26Å; W12-T30 WeakPolarHBondContact O-CA 3.39Å; W12-T30 WeakPolarHBondContact O-CB 2.84Å; W12-W54 HydrophobicContact CB-CH2 4.46Å; W12-W54 HydrophobicContact CB-CZ2 3.62Å; W12-P96 HydrophobicContact CB-CB 4.49Å; W12-P96 HydrophobicContact CD2-CB 3.62Å; W12-P96 HydrophobicContact CD2-CG 4.27Å; W12-P96 HydrophobicContact CE3-CB 3.43Å; W12-P96 VanDerWaalsContact CE3-CB 3.43Å; W12-P96 HydrophobicContact CE3-CG 3.54Å; W12-P96 HydrophobicContact CG-CB 4.12Å; W12-P96 HydrophobicContact CH2-CB 4.45Å; W12-P96 HydrophobicContact CZ3-CB 3.88Å; W12-P96 HydrophobicContact CZ3-CG 3.72Å; W12-A98 HydrophobicContact CH2-CB 3.56Å; W12-A98 HydrophobicContact CZ2-CB 3.87Å
13	K	96.9	Very high	74.5	Confident	38 Å²	38	89.4 Å²	89.4	17%	0.165	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	127.2	-178.3	-177.8	170.5	165.2	173.9	0	112.4	E28 F29 E50 S51	K13-E28 HydrophobicContact CD-CG 4.19Å; K13-E28 WeakPolarHBondContact CD-OE1 3.49Å; K13-E28 WeakPolarHBondContact CE-OE1 3.33Å; K13-E28 WeakPolarHBondContact CE-OE2 3.44Å; K13-E28 HydrophobicContact CG-CG 4.12Å; K13-E28 IonicContact NZ-OE1 3.89Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å; K13-E28 VanDerWaalsContact NZ-OE1 3.16Å; K13-E28 IonicContact NZ-OE2 3.16Å; K13-E28 PolarHBondContact NZ-OE2 3.04Å; K13-F29 WeakPolarHBondContact CA-O 3.12Å; K13-E50 HydrophobicContact CB-CB 4.22Å; K13-E50 HydrophobicContact CD-CB 4.25Å; K13-E50 HydrophobicContact CD-CG 4.45Å; K13-E50 WeakPolarHBondContact CD-OE2 3.37Å; K13-E50 WeakPolarHBondContact CE-OE2 3.26Å; K13-E50 HydrophobicContact CG-CB 4.18Å; K13-E50 IonicContact NZ-OE1 2.92Å; K13-E50 IonicContact NZ-OE2 3.57Å; K13-E50 PolarHBondContact NZ-OE2 3.22Å; K13-E50 PolarHBondContact O-N 3.18Å; K13-S51 WeakPolarHBondContact CB-OG 3.4Å; K13-S51 PolarHBondContact N-O 2.94Å; K13-S51 VanDerWaalsContact N-O 3.07Å; K13-S51 PolarHBondContact N-OG 3.32Å; K13-S51 PolarHBondContact O-N 3.19Å
14	I	98.1	Very high	77.5	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.2	170.9	-171.7	172.7	0	0	0	109.2	V16 F29 L47 R48 V49 W54 L69 F94	I14-V16 HydrophobicContact CD1-CG1 4.35Å; I14-V16 HydrophobicContact CG1-CG1 4.21Å; I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.28Å; I14-F29 PolarHBondContact O-N 3.28Å; I14-L47 HydrophobicContact CD1-CD1 4.1Å; I14-L47 HydrophobicContact CD1-CD2 4.33Å; I14-L47 HydrophobicContact CG1-CD1 4.32Å; I14-R48 CarbonylContact C-O 3.51Å; I14-R48 WeakPolarHBondContact CA-O 3.4Å; I14-V49 HydrophobicContact CD1-CG2 4.16Å; I14-V49 HydrophobicContact CG1-CG2 4.16Å; I14-W54 HydrophobicContact CB-CD2 4.07Å; I14-W54 HydrophobicContact CB-CE3 4.47Å; I14-W54 HydrophobicContact CB-CG 4.47Å; I14-W54 HydrophobicContact CB-CH2 4.48Å; I14-W54 HydrophobicContact CB-CZ2 4.07Å; I14-W54 HydrophobicContact CD1-CB 4.5Å; I14-W54 HydrophobicContact CD1-CD2 4.48Å; I14-W54 HydrophobicContact CD1-CG 4.39Å; I14-W54 HydrophobicContact CG2-CD2 3.89Å; I14-W54 HydrophobicContact CG2-CE3 3.8Å; I14-W54 HydrophobicContact CG2-CH2 3.61Å; I14-W54 HydrophobicContact CG2-CZ2 3.69Å; I14-W54 HydrophobicContact CG2-CZ3 3.67Å; I14-L69 HydrophobicContact CD1-CD1 4.01Å; I14-F94 HydrophobicContact CG2-CD2 4.12Å; I14-F94 HydrophobicContact CG2-CE2 3.79Å
15	I	98.4	Very high	80.6	Confident	16 Å²	16	80.6 Å²	80.6	8%	0.082	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.8	174.3	-53.4	173.9	0	0	0	107.1	Y17 H27 E28 L47 R48 E50	I15-Y17 HydrophobicContact CB-CE2 4.29Å; I15-Y17 HydrophobicContact CG2-CD2 4.42Å; I15-Y17 HydrophobicContact CG2-CE2 3.61Å; I15-H27 WeakPolarHBondContact CA-O 3.26Å; I15-E28 HydrophobicContact CG1-CB 4.47Å; I15-E28 HydrophobicContact CG1-CG 4.45Å; I15-L47 CarbonylContact O-C 3.48Å; I15-L47 WeakPolarHBondContact O-CA 3.32Å; I15-L47 VanDerWaalsContact O-CB 3.31Å; I15-L47 WeakPolarHBondContact O-CB 3.31Å; I15-R48 PolarHBondContact N-O 3Å; I15-R48 PolarHBondContact O-N 2.94Å; I15-E50 HydrophobicContact CD1-CG 4.29Å; I15-E50 VanDerWaalsContact CD1-OE1 3.26Å; I15-E50 WeakPolarHBondContact CD1-OE1 3.47Å
16	V	98.1	Very high	83.6	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.9	-179.2	-55.3	0	0	0	0	111	I14 R26 H27 F29 F41 V44 L47 F94	I14-V16 HydrophobicContact CD1-CG1 4.35Å; I14-V16 HydrophobicContact CG1-CG1 4.21Å; V16-R26 VanDerWaalsContact O-CA 3.24Å; V16-R26 WeakPolarHBondContact O-CA 3.36Å; V16-H27 HydrophobicContact CG2-CB 4.39Å; V16-H27 PolarHBondContact N-O 2.95Å; V16-H27 PolarHBondContact O-N 3.31Å; V16-F29 HydrophobicContact CG2-CD2 4.11Å; V16-F29 HydrophobicContact CG2-CE2 3.56Å; V16-F41 HydrophobicContact CG2-CE1 4.09Å; V16-F41 HydrophobicContact CG2-CZ 4.21Å; V16-V44 HydrophobicContact CB-CB 4.44Å; V16-V44 HydrophobicContact CB-CG1 3.82Å; 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 4.19Å; V16-F94 HydrophobicContact CG1-CE1 3.97Å; V16-F94 HydrophobicContact CG1-CZ 4.09Å
17	Y	98.1	Very high	86.4	Confident	18 Å²	18	82 Å²	82	7%	0.071	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.6	-177.7	-61.7	-98.1	0	0	0	110.5	I15 F22 Q23 R25 R26 R45 S46 R48	I15-Y17 HydrophobicContact CB-CE2 4.29Å; I15-Y17 HydrophobicContact CG2-CD2 4.42Å; I15-Y17 HydrophobicContact CG2-CE2 3.61Å; Y17-F22 HydrophobicContact CD1-CB 4.28Å; Y17-F22 WeakPolarHBondContact CD1-O 3.45Å; Y17-F22 HydrophobicContact CD2-CB 4.18Å; Y17-F22 HydrophobicContact CD2-CD1 4.08Å; Y17-F22 HydrophobicContact CE1-CB 3.99Å; Y17-F22 WeakPolarHBondContact CE1-O 3.26Å; Y17-F22 HydrophobicContact CE2-CB 3.92Å; Y17-F22 AromaticContact CE2-CD1 3.98Å; Y17-F22 HydrophobicContact CE2-CD1 3.98Å; Y17-F22 HydrophobicContact CE2-CG 4.41Å; Y17-F22 HydrophobicContact CG-CB 4.37Å; Y17-Q23 WeakPolarHBondContact CB-O 3.42Å; Y17-Q23 WeakPolarHBondContact CD1-O 3.24Å; Y17-R25 VanDerWaalsContact CA-O 3.26Å; Y17-R25 WeakPolarHBondContact CA-O 3.17Å; Y17-R26 HydrophobicContact CD1-CB 3.6Å; Y17-R26 HydrophobicContact CE1-CB 3.51Å; Y17-R26 HydrophobicContact CE1-CG 4.41Å; Y17-R26 HydrophobicContact CG-CB 4.34Å; Y17-R45 PolarHBondContact O-N 3.35Å; Y17-S46 WeakPolarHBondContact CB-OG 3.37Å; Y17-S46 PolarHBondContact N-O 3.4Å; Y17-S46 PolarHBondContact O-N 3.13Å; Y17-R48 HydrophobicContact CE2-CG 4.49Å
18	D	96.6	Very high	89.4	Confident	45 Å²	45	77.3 Å²	77.3	24%	0.241	39%	0.39	C	S	.	.	S	Bend	trans	-87.2	-6.2	177.2	66.4	-8.4	0	0	0	113.5	G24 R25 F41 R45	D18-G24 WeakPolarHBondContact OD1-CA 3.32Å; D18-R25 HydrophobicContact CB-CB 4.45Å; D18-R25 VanDerWaalsContact CG-CB 3.48Å; D18-R25 PolarHBondContact N-O 3.02Å; D18-R25 VanDerWaalsContact N-O 3.15Å; D18-R25 PolarHBondContact OD1-N 2.83Å; D18-R25 WeakPolarHBondContact OD2-CB 3.49Å; D18-R25 IonicContact OD2-NE 2.81Å; D18-F41 HydrophobicContact CB-CD1 3.66Å; D18-F41 HydrophobicContact CB-CE1 3.93Å; D18-R45 WeakPolarHBondContact O-CG 3.23Å
19	E	96.4	Very high	91.9	Very high	107 Å²	107	71.8 Å²	71.8	50%	0.5	37%	0.365	S	S	.	.	S	Bend	trans	-120	163.5	170.4	-65.2	177	-166.5	0	0	111.5	Q23 R45 S46	E19-Q23 HydrophobicContact CB-CB 4Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.42Å; E19-R45 VanDerWaalsContact C-CB 3.44Å; E19-S46 WeakPolarHBondContact O-CB 3.33Å; E19-S46 PolarHBondContact O-N 2.86Å; E19-S46 PolarHBondContact O-OG 3.29Å
20	E	95.1	Very high	94.4	Very high	102 Å²	102	69.4 Å²	69.4	48%	0.477	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-69	166.2	172.7	-66.9	-179.6	175.2	0	0	111.5	F22 Q23 R45 P75 Q76	E20-F22 PolarHBondContact O-N 3.31Å; E20-F22 VanDerWaalsContact O-N 3.13Å; E20-Q23 PolarHBondContact O-N 3.17Å; E20-R45 HydrophobicContact CG-CB 4.4Å; E20-P75 CarbonylContact C-O 3.57Å; E20-P75 WeakPolarHBondContact CA-O 3.41Å; E20-Q76 HydrophobicContact CG-CB 4.23Å
21	C	96.7	Very high	96.2	Very high	73 Å²	73	70.3 Å²	70.3	49%	0.493	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	54.1	33.9	176.7	-62	0	0	0	0	114.2	Q23 P75	C21-Q23 VanDerWaalsContact C-N 3.31Å; C21-Q23 PolarHBondContact O-N 3.07Å; C21-Q23 PolarHBondContact O-NE2 3.42Å; C21-P75 PolarHBondContact N-O 3.11Å
22	F	97.4	Very high	97	Very high	30 Å²	30	67.5 Å²	67.5	13%	0.132	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	61.9	34.5	176	-37	-66.6	0	0	0	113.8	Y17 E20 S46 L47 R48 E73 P75	Y17-F22 HydrophobicContact CD1-CB 4.28Å; Y17-F22 WeakPolarHBondContact CD1-O 3.45Å; Y17-F22 HydrophobicContact CD2-CB 4.18Å; Y17-F22 HydrophobicContact CD2-CD1 4.08Å; Y17-F22 HydrophobicContact CE1-CB 3.99Å; Y17-F22 WeakPolarHBondContact CE1-O 3.26Å; Y17-F22 HydrophobicContact CE2-CB 3.92Å; Y17-F22 AromaticContact CE2-CD1 3.98Å; Y17-F22 HydrophobicContact CE2-CD1 3.98Å; Y17-F22 HydrophobicContact CE2-CG 4.41Å; Y17-F22 HydrophobicContact CG-CB 4.37Å; E20-F22 PolarHBondContact O-N 3.31Å; E20-F22 VanDerWaalsContact O-N 3.13Å; F22-S46 WeakPolarHBondContact CA-OG 3.07Å; F22-S46 PolarHBondContact N-OG 2.96Å; F22-L47 WeakPolarHBondContact CE1-O 3.14Å; F22-R48 HydrophobicContact CD1-CG 3.75Å; F22-R48 HydrophobicContact CE1-CG 3.68Å; F22-R48 HydrophobicContact CZ-CG 4.39Å; F22-E73 HydrophobicContact CE1-CB 4.42Å; F22-E73 HydrophobicContact CE2-CB 4.49Å; F22-E73 HydrophobicContact CZ-CB 3.76Å; F22-E73 HydrophobicContact CZ-CG 4.43Å; F22-P75 HydrophobicContact CE2-CB 4.06Å; F22-P75 HydrophobicContact CZ-CB 3.81Å
23	Q	97.8	Very high	97.4	Very high	112 Å²	112	63.3 Å²	63.3	52%	0.523	32%	0.316	S	S	.	.			trans	-103	-180	179.3	-58.1	-52.3	-56.5	0	0	112.2	Y17 E19 E20 C21	Y17-Q23 WeakPolarHBondContact CB-O 3.42Å; Y17-Q23 WeakPolarHBondContact CD1-O 3.24Å; E19-Q23 HydrophobicContact CB-CB 4Å; E19-Q23 WeakPolarHBondContact OE2-CB 3.42Å; E20-Q23 PolarHBondContact O-N 3.17Å; C21-Q23 VanDerWaalsContact C-N 3.31Å; C21-Q23 PolarHBondContact O-N 3.07Å; C21-Q23 PolarHBondContact O-NE2 3.42Å
24	G	97.3	Very high	97.4	Very high	47 Å²	47	63.6 Å²	63.6	49%	0.485	32%	0.322	S	S	.	.	S	Bend	trans	70.9	-150.1	176.7	0	0	0	0	0	114.2	D18	D18-G24 WeakPolarHBondContact OD1-CA 3.32Å
25	R	97.5	Very high	97.4	Very high	125 Å²	125	65.1 Å²	65.1	47%	0.472	33%	0.331	S	S	.	.	S	Bend	trans	-68.8	138.4	175.3	-170.3	-177.2	-54	-178.5	12.3	109.5	Y17 D18 G40 F41	Y17-R25 VanDerWaalsContact CA-O 3.26Å; Y17-R25 WeakPolarHBondContact CA-O 3.17Å; D18-R25 HydrophobicContact CB-CB 4.45Å; D18-R25 VanDerWaalsContact CG-CB 3.48Å; D18-R25 PolarHBondContact N-O 3.02Å; D18-R25 VanDerWaalsContact N-O 3.15Å; D18-R25 PolarHBondContact OD1-N 2.83Å; D18-R25 WeakPolarHBondContact OD2-CB 3.49Å; D18-R25 IonicContact OD2-NE 2.81Å; R25-G40 VanDerWaalsContact NH1-CA 3.3Å; R25-G40 PolarHBondContact NH1-O 3.04Å; R25-F41 HydrophobicContact CB-CE1 4.4Å; R25-F41 HydrophobicContact CB-CZ 4.23Å; R25-F41 HydrophobicContact CG-CE1 4.41Å; R25-F41 HydrophobicContact CG-CE2 4.14Å; R25-F41 HydrophobicContact CG-CZ 3.79Å; R25-F41 WeakPolarHBondContact O-CE1 3.16Å
26	R	97.7	Very high	97.4	Very high	179 Å²	179	64.4 Å²	64.4	68%	0.675	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	150	173.7	76.5	177.5	-171.4	-132.6	1.2	112.6	V16 Y17	V16-R26 VanDerWaalsContact O-CA 3.24Å; V16-R26 WeakPolarHBondContact O-CA 3.36Å; Y17-R26 HydrophobicContact CD1-CB 3.6Å; Y17-R26 HydrophobicContact CE1-CB 3.51Å; Y17-R26 HydrophobicContact CE1-CG 4.41Å; Y17-R26 HydrophobicContact CG-CB 4.34Å
27	H	98.4	Very high	97.3	Very high	70 Å²	70	69.8 Å²	69.8	32%	0.324	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.2	170.1	-158.8	90.7	0	0	0	110.7	I15 V16 F29 F39 F41	I15-H27 WeakPolarHBondContact CA-O 3.26Å; V16-H27 HydrophobicContact CG2-CB 4.39Å; V16-H27 PolarHBondContact N-O 2.95Å; V16-H27 PolarHBondContact O-N 3.31Å; 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 3.83Å; H27-F29 AromaticContact CD2-CE1 3.73Å; H27-F29 AromaticContact CD2-CE2 3.4Å; H27-F29 VanDerWaalsContact CD2-CE2 3.4Å; H27-F29 WeakPolarHBondContact CD2-CE2 3.38Å; H27-F29 AromaticContact CD2-CZ 3.36Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.46Å; H27-F29 AromaticContact CG-CE2 3.88Å; H27-F29 AromaticContact CG-CZ 3.98Å; H27-F39 AromaticContact CD2-CD1 3.89Å; H27-F39 AromaticContact CE1-CD1 3.58Å; H27-F39 AromaticContact NE2-CD1 3.45Å; H27-F39 WeakPolarHBondContact NE2-CD1 3.4Å; H27-F39 AromaticContact NE2-CE1 3.66Å; H27-F41 HydrophobicContact CB-CE2 3.72Å; H27-F41 HydrophobicContact CB-CZ 3.81Å
28	E	98.3	Very high	97.3	Very high	98 Å²	98	75.1 Å²	75.1	46%	0.458	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.8	178.7	175	174	151	0	0	109.4	K13 I15	K13-E28 HydrophobicContact CD-CG 4.19Å; K13-E28 WeakPolarHBondContact CD-OE1 3.49Å; K13-E28 WeakPolarHBondContact CE-OE1 3.33Å; K13-E28 WeakPolarHBondContact CE-OE2 3.44Å; K13-E28 HydrophobicContact CG-CG 4.12Å; K13-E28 IonicContact NZ-OE1 3.89Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å; K13-E28 VanDerWaalsContact NZ-OE1 3.16Å; K13-E28 IonicContact NZ-OE2 3.16Å; K13-E28 PolarHBondContact NZ-OE2 3.04Å; I15-E28 HydrophobicContact CG1-CB 4.47Å; I15-E28 HydrophobicContact CG1-CG 4.45Å
29	F	98	Very high	97.3	Very high	9 Å²	9	76.7 Å²	76.7	4%	0.039	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	178.6	-64.9	-92.6	0	0	0	110.8	K13 I14 V16 H27 C33 F39 W54 F94	K13-F29 WeakPolarHBondContact CA-O 3.12Å; I14-F29 HydrophobicContact CG2-CB 3.74Å; I14-F29 PolarHBondContact N-O 3.28Å; I14-F29 PolarHBondContact O-N 3.28Å; V16-F29 HydrophobicContact CG2-CD2 4.11Å; V16-F29 HydrophobicContact CG2-CE2 3.56Å; 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 3.83Å; H27-F29 AromaticContact CD2-CE1 3.73Å; H27-F29 AromaticContact CD2-CE2 3.4Å; H27-F29 VanDerWaalsContact CD2-CE2 3.4Å; H27-F29 WeakPolarHBondContact CD2-CE2 3.38Å; H27-F29 AromaticContact CD2-CZ 3.36Å; H27-F29 WeakPolarHBondContact CD2-CZ 3.46Å; H27-F29 AromaticContact CG-CE2 3.88Å; H27-F29 AromaticContact CG-CZ 3.98Å; F29-C33 HydrophobicContact CD1-CB 4Å; F29-C33 HydrophobicContact CE1-CB 3.82Å; F29-C33 HydrophobicContact CZ-CB 4.44Å; F29-F39 AromaticContact CE1-CD1 3.98Å; F29-F39 HydrophobicContact CE1-CD1 3.98Å; F29-F39 AromaticContact CE1-CD2 3.77Å; F29-F39 HydrophobicContact CE1-CD2 3.77Å; F29-F39 AromaticContact CE1-CE1 3.81Å; F29-F39 HydrophobicContact CE1-CE1 3.81Å; F29-F39 AromaticContact CE1-CE2 3.64Å; F29-F39 HydrophobicContact CE1-CE2 3.64Å; F29-F39 AromaticContact CE1-CG 3.96Å; F29-F39 HydrophobicContact CE1-CG 3.96Å; F29-F39 AromaticContact CE1-CZ 3.65Å; F29-F39 HydrophobicContact CE1-CZ 3.65Å; F29-F39 HydrophobicContact CZ-CB 4.25Å; F29-F39 AromaticContact CZ-CD1 3.98Å; F29-F39 HydrophobicContact CZ-CD1 3.98Å; F29-F39 AromaticContact CZ-CD2 3.75Å; F29-F39 HydrophobicContact CZ-CD2 3.75Å; F29-F39 HydrophobicContact CZ-CE1 4.29Å; F29-F39 HydrophobicContact CZ-CE2 4.13Å; F29-F39 AromaticContact CZ-CG 3.69Å; F29-F39 HydrophobicContact CZ-CG 3.69Å; F29-F39 HydrophobicContact CZ-CZ 4.37Å; F29-W54 HydrophobicContact CB-CH2 4.5Å; F29-F94 HydrophobicContact CB-CE2 3.81Å; F29-F94 HydrophobicContact CB-CZ 4.29Å; F29-F94 HydrophobicContact CD1-CE2 4.1Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.87Å; F29-F94 HydrophobicContact CD2-CE2 3.87Å; F29-F94 AromaticContact CD2-CZ 3.43Å; F29-F94 HydrophobicContact CD2-CZ 3.43Å; F29-F94 VanDerWaalsContact CD2-CZ 3.43Å; 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 3.66Å; F29-F94 HydrophobicContact CG-CE2 3.66Å; F29-F94 AromaticContact CG-CZ 3.66Å; F29-F94 HydrophobicContact CG-CZ 3.66Å; F29-F94 AromaticContact CZ-CZ 3.98Å; F29-F94 HydrophobicContact CZ-CZ 3.98Å
30	T	96.6	Very high	97.3	Very high	78 Å²	78	73.4 Å²	73.4	48%	0.479	38%	0.379	S	S	.	.	S	Bend	trans	-116	4.5	172.9	62.2	0	0	0	0	112.8	W12	W12-T30 VanDerWaalsContact O-CA 3.26Å; W12-T30 WeakPolarHBondContact O-CA 3.39Å; W12-T30 WeakPolarHBondContact O-CB 2.84Å
31	S	95.5	Very high	97.4	Very high	69 Å²	69	68.7 Å²	68.7	48%	0.483	36%	0.357	S	S	.	.	S	Bend	trans	-142.6	174.9	178.2	62.5	0	0	0	0	109.5	W54	S31-W54 WeakPolarHBondContact O-CH2 3.44Å; S31-W54 VanDerWaalsContact O-CZ3 3.32Å; S31-W54 WeakPolarHBondContact O-CZ3 3.35Å
32	E	97.5	Very high	97.3	Very high	110 Å²	110	73.4 Å²	73.4	51%	0.514	37%	0.371	S	S	.	.			trans	-58.6	152.5	172.6	63.2	-177.7	-128.9	0	0	113.5	Y62 F94 R95	E32-Y62 HydrophobicContact CB-CE1 4.48Å; E32-Y62 WeakPolarHBondContact CB-OH 3.41Å; E32-Y62 WeakPolarHBondContact CG-OH 3.45Å; E32-Y62 PolarHBondContact OE1-OH 2.77Å; E32-F94 WeakPolarHBondContact CA-O 3.3Å; E32-R95 HydrophobicContact CB-CB 3.55Å
33	C	98.2	Very high	97.2	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.02	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-131.6	110.3	173.5	179.2	0	0	0	0	107.7	F29 N35 S93 F94	F29-C33 HydrophobicContact CD1-CB 4Å; F29-C33 HydrophobicContact CE1-CB 3.82Å; F29-C33 HydrophobicContact CZ-CB 4.44Å; C33-N35 VanDerWaalsContact C-N 3.33Å; C33-N35 VanDerWaalsContact SG-C 3.58Å; C33-S93 CarbonylContact O-C 3.46Å; C33-S93 VanDerWaalsContact O-CA 3.26Å; C33-S93 WeakPolarHBondContact O-CA 3.32Å; C33-S93 WeakPolarHBondContact O-CB 3.45Å; C33-F94 HydrophobicContact CB-CD2 4.14Å; C33-F94 HydrophobicContact CB-CE1 4.04Å; C33-F94 HydrophobicContact CB-CE2 3.59Å; C33-F94 HydrophobicContact CB-CZ 3.52Å; C33-F94 PolarHBondContact N-O 2.85Å; C33-F94 PolarHBondContact O-N 3.44Å
34	C	97.9	Very high	97.1	Very high	45 Å²	45	67 Å²	67	30%	0.304	34%	0.343	S	S	.	.	S	Bend	trans	-77.7	-19	-179.7	61.7	0	0	0	0	112.9	A60 S61 Y62 S93	C34-A60 CarbonylContact O-C 3.41Å; C34-A60 WeakPolarHBondContact O-CA 3.25Å; C34-S61 PolarHBondContact O-N 3Å; C34-Y62 HydrophobicContact CB-CE1 4.36Å; C34-Y62 HydrophobicContact CB-CE2 4.31Å; C34-S93 WeakPolarHBondContact O-CB 3.47Å
35	N	98.3	Very high	97	Very high	32 Å²	32	69.2 Å²	69.2	17%	0.171	34%	0.337	C	S	.	.			trans	-159.9	111.7	178	-175.3	3.8	0	0	0	111.7	C33 M37 E38 A60 T92	C33-N35 VanDerWaalsContact C-N 3.33Å; C33-N35 VanDerWaalsContact SG-C 3.58Å; N35-M37 PolarHBondContact O-N 2.75Å; N35-M37 VanDerWaalsContact OD1-CB 3.32Å; N35-M37 WeakPolarHBondContact OD1-CB 3.35Å; N35-M37 VanDerWaalsContact OD1-CE 3.25Å; N35-M37 WeakPolarHBondContact OD1-CE 3.3Å; N35-M37 WeakPolarHBondContact OD1-CG 3.49Å; N35-M37 PolarHBondContact OD1-N 3.49Å; N35-M37 VanDerWaalsContact OD1-N 3.11Å; N35-E38 HydrophobicContact CB-CG 4.23Å; N35-E38 WeakPolarHBondContact O-CB 3.46Å; N35-E38 PolarHBondContact O-N 3.01Å; N35-E38 VanDerWaalsContact O-N 3.16Å; N35-A60 HydrophobicContact CB-CB 4.16Å; N35-T92 WeakPolarHBondContact CA-O 3.29Å
36	V	97.9	Very high	97	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-66.2	-18.1	-179.2	-60	0	0	0	0	113.7	E38 F39 G40 F41 V44 T92 F94	V36-E38 PolarHBondContact O-N 2.97Å; V36-F39 PolarHBondContact O-N 2.97Å; V36-G40 PolarHBondContact O-N 3.18Å; V36-F41 CarbonylContact C-O 3.57Å; V36-F41 HydrophobicContact CB-CB 3.93Å; V36-F41 HydrophobicContact CG2-CB 3.92Å; V36-F41 PolarHBondContact O-N 3.43Å; V36-F41 VanDerWaalsContact O-N 3.16Å; V36-V44 HydrophobicContact CG1-CG2 4.09Å; V36-T92 WeakPolarHBondContact CG1-O 3.5Å; V36-T92 HydrophobicContact CG2-CG2 4.36Å; V36-T92 PolarHBondContact N-O 3.23Å; V36-F94 HydrophobicContact CG1-CD1 4.23Å; V36-F94 HydrophobicContact CG1-CE1 3.58Å; V36-F94 HydrophobicContact CG1-CZ 4.45Å
37	M	97	Very high	96.9	Very high	112 Å²	112	54.8 Å²	54.8	55%	0.552	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.9	-25.7	174.8	-64.9	-175.1	-79.6	0	0	112.4	N35 F39 G40 F41	N35-M37 PolarHBondContact O-N 2.75Å; N35-M37 VanDerWaalsContact OD1-CB 3.32Å; N35-M37 WeakPolarHBondContact OD1-CB 3.35Å; N35-M37 VanDerWaalsContact OD1-CE 3.25Å; N35-M37 WeakPolarHBondContact OD1-CE 3.3Å; N35-M37 WeakPolarHBondContact OD1-CG 3.49Å; N35-M37 PolarHBondContact OD1-N 3.49Å; N35-M37 VanDerWaalsContact OD1-N 3.11Å; M37-F39 PolarHBondContact O-N 3.16Å; M37-G40 WeakPolarHBondContact O-CA 3.35Å; M37-G40 PolarHBondContact O-N 3.07Å; M37-F41 WeakPolarHBondContact CA-O 3.49Å; M37-F41 WeakPolarHBondContact CG-O 3.34Å; M37-F41 PolarHBondContact N-O 2.91Å
38	E	97	Very high	96.9	Very high	131 Å²	131	55.1 Å²	55.1	61%	0.612	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.2	-20.9	174.6	-63.5	176.5	-166.2	0	0	112.4	N35 V36	N35-E38 HydrophobicContact CB-CG 4.23Å; N35-E38 WeakPolarHBondContact O-CB 3.46Å; N35-E38 PolarHBondContact O-N 3.01Å; N35-E38 VanDerWaalsContact O-N 3.16Å; V36-E38 PolarHBondContact O-N 2.97Å
39	F	96.9	Very high	96.9	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.338	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-103.7	9.7	176.1	-57.9	-91.4	0	0	0	111.6	H27 F29 V36 M37 F41	H27-F39 AromaticContact CD2-CD1 3.89Å; H27-F39 AromaticContact CE1-CD1 3.58Å; H27-F39 AromaticContact NE2-CD1 3.45Å; H27-F39 WeakPolarHBondContact NE2-CD1 3.4Å; H27-F39 AromaticContact NE2-CE1 3.66Å; F29-F39 AromaticContact CE1-CD1 3.98Å; F29-F39 HydrophobicContact CE1-CD1 3.98Å; F29-F39 AromaticContact CE1-CD2 3.77Å; F29-F39 HydrophobicContact CE1-CD2 3.77Å; F29-F39 AromaticContact CE1-CE1 3.81Å; F29-F39 HydrophobicContact CE1-CE1 3.81Å; F29-F39 AromaticContact CE1-CE2 3.64Å; F29-F39 HydrophobicContact CE1-CE2 3.64Å; F29-F39 AromaticContact CE1-CG 3.96Å; F29-F39 HydrophobicContact CE1-CG 3.96Å; F29-F39 AromaticContact CE1-CZ 3.65Å; F29-F39 HydrophobicContact CE1-CZ 3.65Å; F29-F39 HydrophobicContact CZ-CB 4.25Å; F29-F39 AromaticContact CZ-CD1 3.98Å; F29-F39 HydrophobicContact CZ-CD1 3.98Å; F29-F39 AromaticContact CZ-CD2 3.75Å; F29-F39 HydrophobicContact CZ-CD2 3.75Å; F29-F39 HydrophobicContact CZ-CE1 4.29Å; F29-F39 HydrophobicContact CZ-CE2 4.13Å; F29-F39 AromaticContact CZ-CG 3.69Å; F29-F39 HydrophobicContact CZ-CG 3.69Å; F29-F39 HydrophobicContact CZ-CZ 4.37Å; V36-F39 PolarHBondContact O-N 2.97Å; M37-F39 PolarHBondContact O-N 3.16Å; F39-F41 HydrophobicContact CB-CD2 3.92Å; F39-F41 HydrophobicContact CB-CE2 4.17Å; F39-F41 VanDerWaalsContact O-CD2 3.3Å; F39-F41 WeakPolarHBondContact O-CD2 3.39Å; F39-F41 WeakPolarHBondContact O-CE2 3.35Å
40	G	96.3	Very high	96.8	Very high	39 Å²	39	54.2 Å²	54.2	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	14.2	177.7	0	0	0	0	0	115.2	R25 V36 M37	R25-G40 VanDerWaalsContact NH1-CA 3.3Å; R25-G40 PolarHBondContact NH1-O 3.04Å; V36-G40 PolarHBondContact O-N 3.18Å; M37-G40 WeakPolarHBondContact O-CA 3.35Å; M37-G40 PolarHBondContact O-N 3.07Å
41	F	97.1	Very high	96.7	Very high	3 Å²	3	52 Å²	52	1%	0.013	27%	0.265	C	S	.	.			trans	-90.6	134.7	175	-67.6	-109.3	0	0	0	109.7	V16 D18 R25 H27 V36 M37 F39	V16-F41 HydrophobicContact CG2-CE1 4.09Å; V16-F41 HydrophobicContact CG2-CZ 4.21Å; D18-F41 HydrophobicContact CB-CD1 3.66Å; D18-F41 HydrophobicContact CB-CE1 3.93Å; R25-F41 HydrophobicContact CB-CE1 4.4Å; R25-F41 HydrophobicContact CB-CZ 4.23Å; R25-F41 HydrophobicContact CG-CE1 4.41Å; R25-F41 HydrophobicContact CG-CE2 4.14Å; R25-F41 HydrophobicContact CG-CZ 3.79Å; R25-F41 WeakPolarHBondContact O-CE1 3.16Å; H27-F41 HydrophobicContact CB-CE2 3.72Å; H27-F41 HydrophobicContact CB-CZ 3.81Å; V36-F41 CarbonylContact C-O 3.57Å; V36-F41 HydrophobicContact CB-CB 3.93Å; V36-F41 HydrophobicContact CG2-CB 3.92Å; V36-F41 PolarHBondContact O-N 3.43Å; V36-F41 VanDerWaalsContact O-N 3.16Å; M37-F41 WeakPolarHBondContact CA-O 3.49Å; M37-F41 WeakPolarHBondContact CG-O 3.34Å; M37-F41 PolarHBondContact N-O 2.91Å; F39-F41 HydrophobicContact CB-CD2 3.92Å; F39-F41 HydrophobicContact CB-CE2 4.17Å; F39-F41 VanDerWaalsContact O-CD2 3.3Å; F39-F41 WeakPolarHBondContact O-CD2 3.39Å; F39-F41 WeakPolarHBondContact O-CE2 3.35Å
42	E	95.1	Very high	96.6	Very high	171 Å²	171	49.1 Å²	49.1	80%	0.799	25%	0.246	S	C	*	.	S	Bend	trans	-73.8	-40.6	168.1	-65.9	-176.1	173.4	0	0	111.2
43	S	95	Very high	96.5	Very high	8 Å²	8	44 Å²	44	6%	0.056	22%	0.222	C	C	.	.	S	Bend	trans	-158.6	158.3	173	178.7	0	0	0	0	108.9	R90 M91	S43-R90 VanDerWaalsContact OG-CA 3.29Å; S43-R90 WeakPolarHBondContact OG-CA 3.41Å; S43-M91 PolarHBondContact OG-N 2.82Å; S43-M91 PolarHBondContact OG-O 2.76Å
44	V	96.1	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.			trans	-75.6	134	164.9	-179.3	0	0	0	0	109.3	V16 V36 S46 L47 F80 M91 F94	V16-V44 HydrophobicContact CB-CB 4.44Å; V16-V44 HydrophobicContact CB-CG1 3.82Å; 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 4.09Å; V44-S46 WeakPolarHBondContact CG1-O 3.47Å; V44-L47 HydrophobicContact CG1-CB 4.16Å; V44-L47 HydrophobicContact CG1-CD2 4.12Å; V44-F80 HydrophobicContact CG1-CZ 4.43Å; V44-M91 HydrophobicContact CB-CB 4.45Å; V44-M91 HydrophobicContact CB-CE 3.48Å; V44-M91 VanDerWaalsContact CB-CE 3.48Å; V44-M91 HydrophobicContact CG1-CE 3.56Å; V44-M91 HydrophobicContact CG2-CE 3.66Å; V44-M91 PolarHBondContact N-O 2.96Å; V44-F94 HydrophobicContact CG2-CE1 4.39Å
45	R	95.1	Very high	96.5	Very high	94 Å²	94	41.7 Å²	41.7	36%	0.355	21%	0.206	S	C	.	.			trans	-112.3	-31.3	177.3	-65.8	-59.1	-173.3	-174.4	-3.5	113.3	Y17 D18 E19 E20 Q76 C77 E89	Y17-R45 PolarHBondContact O-N 3.35Å; D18-R45 WeakPolarHBondContact O-CG 3.23Å; E19-R45 VanDerWaalsContact C-CB 3.44Å; E20-R45 HydrophobicContact CG-CB 4.4Å; R45-Q76 CarbonylContact O-C 3.59Å; R45-Q76 WeakPolarHBondContact O-CA 3.27Å; R45-C77 PolarHBondContact O-N 2.81Å; R45-E89 PolarHBondContact NH1-O 2.94Å; R45-E89 VanDerWaalsContact NH1-O 3.15Å
46	S	96.5	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.7	168.7	64	0	0	0	0	110.6	Y17 E19 F22 V44 Y74 P75	Y17-S46 WeakPolarHBondContact CB-OG 3.37Å; Y17-S46 PolarHBondContact N-O 3.4Å; Y17-S46 PolarHBondContact O-N 3.13Å; E19-S46 WeakPolarHBondContact O-CB 3.33Å; E19-S46 PolarHBondContact O-N 2.86Å; E19-S46 PolarHBondContact O-OG 3.29Å; F22-S46 WeakPolarHBondContact CA-OG 3.07Å; F22-S46 PolarHBondContact N-OG 2.96Å; V44-S46 WeakPolarHBondContact CG1-O 3.47Å; S46-Y74 CarbonylContact C-O 3.59Å; S46-Y74 VanDerWaalsContact CA-O 3.29Å; S46-Y74 WeakPolarHBondContact CA-O 3.35Å; S46-Y74 VanDerWaalsContact CB-O 3.27Å; S46-Y74 WeakPolarHBondContact CB-O 3.45Å; S46-P75 VanDerWaalsContact CB-O 3.3Å; S46-P75 WeakPolarHBondContact CB-O 3.4Å
47	L	97.4	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	159.9	-178.6	66.7	88.6	0	0	0	113.2	I14 I15 V16 F22 V44 V49 L69 Y74 F80 M91	I14-L47 HydrophobicContact CD1-CD1 4.1Å; I14-L47 HydrophobicContact CD1-CD2 4.33Å; I14-L47 HydrophobicContact CG1-CD1 4.32Å; I15-L47 CarbonylContact O-C 3.48Å; I15-L47 WeakPolarHBondContact O-CA 3.32Å; I15-L47 VanDerWaalsContact O-CB 3.31Å; I15-L47 WeakPolarHBondContact O-CB 3.31Å; V16-L47 HydrophobicContact CG1-CB 4.19Å; F22-L47 WeakPolarHBondContact CE1-O 3.14Å; V44-L47 HydrophobicContact CG1-CB 4.16Å; V44-L47 HydrophobicContact CG1-CD2 4.12Å; L47-V49 HydrophobicContact CD1-CG2 3.72Å; L47-L69 HydrophobicContact CD1-CD1 4.48Å; L47-L69 HydrophobicContact CD1-CD2 4.37Å; L47-L69 HydrophobicContact CD2-CD1 3.83Å; L47-L69 HydrophobicContact CD2-CD2 4.1Å; L47-Y74 HydrophobicContact CD1-CD2 3.31Å; L47-Y74 HydrophobicContact CD1-CE2 3.94Å; L47-Y74 HydrophobicContact CD1-CG 3.84Å; L47-Y74 HydrophobicContact CG-CD2 4.2Å; L47-Y74 HydrophobicContact CG-CG 4.27Å; L47-Y74 PolarHBondContact N-O 2.8Å; L47-Y74 WeakPolarHBondContact O-CB 3.36Å; L47-Y74 PolarHBondContact O-N 3.13Å; L47-F80 HydrophobicContact CD2-CD1 4Å; L47-F80 HydrophobicContact CD2-CE1 3.47Å; L47-F80 VanDerWaalsContact CD2-CE1 3.47Å; L47-F80 HydrophobicContact CD2-CZ 3.81Å; L47-F80 HydrophobicContact CG-CD1 4.39Å; L47-F80 HydrophobicContact CG-CE1 3.69Å; 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 4.32Å
48	R	97.8	Very high	96.2	Very high	77 Å²	77	36 Å²	36	29%	0.291	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.1	171	-60.4	-177.7	-179.1	175.5	-5.3	109.2	I14 I15 Y17 F22 G72 E73	I14-R48 CarbonylContact C-O 3.51Å; I14-R48 WeakPolarHBondContact CA-O 3.4Å; I15-R48 PolarHBondContact N-O 3Å; I15-R48 PolarHBondContact O-N 2.94Å; Y17-R48 HydrophobicContact CE2-CG 4.49Å; F22-R48 HydrophobicContact CD1-CG 3.75Å; F22-R48 HydrophobicContact CE1-CG 3.68Å; F22-R48 HydrophobicContact CZ-CG 4.39Å; R48-G72 WeakPolarHBondContact CA-O 3.48Å; R48-E73 HydrophobicContact CG-CG 4.2Å; R48-E73 IonicContact CZ-OE1 3.13Å; R48-E73 IonicContact NE-OE1 2.75Å; R48-E73 IonicContact NH2-OE1 3.03Å
49	V	97.3	Very high	96.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.8	169.9	-178.2	0	0	0	0	107	I14 L47 G52 L69 E70 R71 G72 Y74	I14-V49 HydrophobicContact CD1-CG2 4.16Å; I14-V49 HydrophobicContact CG1-CG2 4.16Å; L47-V49 HydrophobicContact CD1-CG2 3.72Å; V49-G52 VanDerWaalsContact CG1-O 3.25Å; V49-G52 WeakPolarHBondContact CG1-O 3.42Å; V49-L69 HydrophobicContact CG2-CB 4Å; V49-E70 VanDerWaalsContact CB-O 3.3Å; V49-E70 WeakPolarHBondContact CB-O 3.19Å; V49-E70 WeakPolarHBondContact CG2-O 3.48Å; V49-R71 WeakPolarHBondContact O-CA 3.32Å; V49-R71 WeakPolarHBondContact O-CG 3.25Å; V49-G72 PolarHBondContact N-O 2.67Å; V49-G72 PolarHBondContact O-N 2.94Å; V49-G72 VanDerWaalsContact O-N 3.07Å; V49-Y74 HydrophobicContact CG2-CE2 4.05Å
50	E	96.4	Very high	96.2	Very high	86 Å²	86	30.1 Å²	30.1	40%	0.402	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-33.3	179.2	-68.1	-165.6	170.9	0	0	111.5	K13 I15 R71	K13-E50 HydrophobicContact CB-CB 4.22Å; K13-E50 HydrophobicContact CD-CB 4.25Å; K13-E50 HydrophobicContact CD-CG 4.45Å; K13-E50 WeakPolarHBondContact CD-OE2 3.37Å; K13-E50 WeakPolarHBondContact CE-OE2 3.26Å; K13-E50 HydrophobicContact CG-CB 4.18Å; K13-E50 IonicContact NZ-OE1 2.92Å; K13-E50 IonicContact NZ-OE2 3.57Å; K13-E50 PolarHBondContact NZ-OE2 3.22Å; K13-E50 PolarHBondContact O-N 3.18Å; I15-E50 HydrophobicContact CD1-CG 4.29Å; I15-E50 VanDerWaalsContact CD1-OE1 3.26Å; I15-E50 WeakPolarHBondContact CD1-OE1 3.47Å; E50-R71 PolarHBondContact O-NE 3.16Å
51	S	94.8	Very high	96.3	Very high	32 Å²	32	31.9 Å²	31.9	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	144.3	-178.4	54.8	0	0	0	0	113.3	H11 K13 W54	H11-S51 PolarHBondContact O-OG 3.18Å; K13-S51 WeakPolarHBondContact CB-OG 3.4Å; K13-S51 PolarHBondContact N-O 2.94Å; K13-S51 VanDerWaalsContact N-O 3.07Å; K13-S51 PolarHBondContact N-OG 3.32Å; K13-S51 PolarHBondContact O-N 3.19Å; S51-W54 PolarHBondContact O-NE1 2.86Å
52	G	93.8	Very high	96.3	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	17%	0.169	C	C	.	.	S	Bend	trans	82	177.2	-179.8	0	0	0	0	0	113.2	V49 Q196	V49-G52 VanDerWaalsContact CG1-O 3.25Å; V49-G52 WeakPolarHBondContact CG1-O 3.42Å; G52-Q196 PolarHBondContact N-OXT 2.98Å
53	A	95.6	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.151	C	C	.	.			trans	-105.7	141.2	168.9	0	0	0	0	0	109.7	I97 A100 I194 Q195	A53-I97 HydrophobicContact CB-CB 4.21Å; A53-I97 HydrophobicContact CB-CD1 4.27Å; A53-I97 PolarHBondContact O-N 2.83Å; A53-A100 HydrophobicContact CB-CB 3.85Å; A53-I194 HydrophobicContact CB-CG2 3.46Å; A53-I194 VanDerWaalsContact CB-CG2 3.46Å; A53-Q195 WeakPolarHBondContact CB-O 3.44Å
54	W	97.4	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.5	-179.6	-62.8	74.7	0	0	0	109.5	W12 I14 F29 S31 S51 L69 F94 R95 P96	W12-W54 HydrophobicContact CB-CH2 4.46Å; W12-W54 HydrophobicContact CB-CZ2 3.62Å; I14-W54 HydrophobicContact CB-CD2 4.07Å; I14-W54 HydrophobicContact CB-CE3 4.47Å; I14-W54 HydrophobicContact CB-CG 4.47Å; I14-W54 HydrophobicContact CB-CH2 4.48Å; I14-W54 HydrophobicContact CB-CZ2 4.07Å; I14-W54 HydrophobicContact CD1-CB 4.5Å; I14-W54 HydrophobicContact CD1-CD2 4.48Å; I14-W54 HydrophobicContact CD1-CG 4.39Å; I14-W54 HydrophobicContact CG2-CD2 3.89Å; I14-W54 HydrophobicContact CG2-CE3 3.8Å; I14-W54 HydrophobicContact CG2-CH2 3.61Å; I14-W54 HydrophobicContact CG2-CZ2 3.69Å; I14-W54 HydrophobicContact CG2-CZ3 3.67Å; F29-W54 HydrophobicContact CB-CH2 4.5Å; S31-W54 WeakPolarHBondContact O-CH2 3.44Å; S31-W54 VanDerWaalsContact O-CZ3 3.32Å; S31-W54 WeakPolarHBondContact O-CZ3 3.35Å; S51-W54 PolarHBondContact O-NE1 2.86Å; W54-L69 HydrophobicContact CB-CB 4Å; W54-L69 HydrophobicContact CB-CD1 4.48Å; W54-L69 PolarHBondContact N-O 2.85Å; W54-L69 PolarHBondContact O-N 2.96Å; W54-F94 AromaticContact CE3-CD2 3.87Å; W54-F94 HydrophobicContact CE3-CD2 3.87Å; W54-F94 AromaticContact CZ3-CD2 3.87Å; W54-F94 HydrophobicContact CZ3-CD2 3.87Å; W54-F94 HydrophobicContact CZ3-CE2 4.22Å; W54-R95 CarbonylContact C-O 3.57Å; W54-R95 WeakPolarHBondContact CA-O 3.39Å; W54-P96 HydrophobicContact CD2-CB 4.43Å; W54-P96 HydrophobicContact CE3-CB 4.37Å; W54-P96 HydrophobicContact CZ3-CB 4.45Å
55	V	97.3	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.7	166.4	52.4	0	0	0	0	108.7	Y57 Q66 F67 F94 R95 I97 I163	V55-Y57 HydrophobicContact CB-CE2 4.31Å; V55-Y57 HydrophobicContact CG1-CE2 3.69Å; V55-Y57 HydrophobicContact CG2-CD2 4.42Å; V55-Y57 HydrophobicContact CG2-CE1 4.27Å; V55-Y57 HydrophobicContact CG2-CE2 3.86Å; V55-Q66 HydrophobicContact CG2-CB 4.13Å; V55-Q66 HydrophobicContact CG2-CG 4.25Å; V55-F67 WeakPolarHBondContact CA-O 3.33Å; V55-F94 CarbonylContact O-C 3.54Å; V55-F94 WeakPolarHBondContact O-CA 3.38Å; V55-F94 WeakPolarHBondContact O-CB 3.37Å; V55-R95 HydrophobicContact CG1-CG 3.55Å; V55-R95 VanDerWaalsContact CG1-CZ 3.48Å; V55-R95 PolarHBondContact N-O 2.66Å; V55-R95 PolarHBondContact O-N 3.41Å; V55-I97 HydrophobicContact CB-CD1 4.08Å; V55-I97 HydrophobicContact CB-CG1 4.23Å; V55-I97 HydrophobicContact CG1-CD1 4.43Å; V55-I97 HydrophobicContact CG1-CG1 4.06Å; V55-I163 HydrophobicContact CB-CG1 4.11Å; V55-I163 HydrophobicContact CG2-CG1 3.66Å
56	G	96.9	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	151.8	169.9	0	0	0	0	0	111.5	Q66 F67 M91	G56-Q66 CarbonylContact O-C 3.51Å; G56-Q66 WeakPolarHBondContact O-CA 3.15Å; G56-F67 PolarHBondContact N-O 3.01Å; G56-F67 PolarHBondContact O-N 3.02Å; G56-M91 VanDerWaalsContact CA-SD 3.59Å
57	Y	96.6	Very high	96.1	Very high	8 Å²	8	26.2 Å²	26.2	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.2	179.8	-64.7	-90	0	0	0	111	V55 H59 Y62 Q65 Q66 M91 T92 S93 R95	V55-Y57 HydrophobicContact CB-CE2 4.31Å; V55-Y57 HydrophobicContact CG1-CE2 3.69Å; V55-Y57 HydrophobicContact CG2-CD2 4.42Å; V55-Y57 HydrophobicContact CG2-CE1 4.27Å; V55-Y57 HydrophobicContact CG2-CE2 3.86Å; Y57-H59 VanDerWaalsContact C-N 3.27Å; Y57-H59 PolarHBondContact O-N 3.45Å; Y57-Y62 WeakPolarHBondContact CD1-O 3.15Å; Y57-Y62 AromaticContact CD2-CD1 3.86Å; Y57-Y62 HydrophobicContact CD2-CD1 3.86Å; Y57-Y62 HydrophobicContact CD2-CG 4.38Å; Y57-Y62 WeakPolarHBondContact CE1-O 3.2Å; Y57-Y62 AromaticContact CE2-CD1 3.84Å; Y57-Y62 HydrophobicContact CE2-CD1 3.84Å; Y57-Y62 HydrophobicContact CE2-CG 4.17Å; Y57-Q65 WeakPolarHBondContact CA-O 3.46Å; Y57-Q66 HydrophobicContact CD1-CG 3.84Å; Y57-Q66 HydrophobicContact CE1-CG 3.54Å; Y57-M91 WeakPolarHBondContact O-CA 3.4Å; Y57-M91 WeakPolarHBondContact O-CG 3.4Å; Y57-T92 PolarHBondContact O-N 3.12Å; Y57-S93 WeakPolarHBondContact CB-OG 3.26Å; Y57-S93 PolarHBondContact N-O 2.94Å; Y57-S93 PolarHBondContact O-N 2.87Å; Y57-R95 HydrophobicContact CE2-CG 4.14Å; Y57-R95 PolarHBondContact OH-NE 2.77Å; Y57-R95 PolarHBondContact OH-NH2 2.63Å
58	E	94.4	Very high	96	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.084	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	-39.4	178.5	-169.7	-166.7	167.4	0	0	112.5	Q65 F67 Y86 R90 T92	E58-Q65 HydrophobicContact CB-CB 4.31Å; E58-Q65 PolarHBondContact N-O 3.03Å; E58-Q65 PolarHBondContact OE2-N 2.72Å; E58-F67 HydrophobicContact CB-CE2 4.29Å; E58-F67 HydrophobicContact CB-CZ 4.42Å; E58-Y86 PolarHBondContact OE1-OH 2.75Å; E58-Y86 PolarHBondContact OE2-OH 2.97Å; E58-Y86 VanDerWaalsContact OE2-OH 3.09Å; E58-R90 WeakPolarHBondContact CA-O 3.37Å; E58-R90 HydrophobicContact CG-CG 3.94Å; E58-T92 PolarHBondContact O-OG1 2.9Å
59	H	96.1	Very high	95.9	Very high	56 Å²	56	23 Å²	23	26%	0.259	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	163.2	-177.2	-55.2	-23.3	0	0	0	111.9	Y57 Q63 R90 T92 S93	Y57-H59 VanDerWaalsContact C-N 3.27Å; Y57-H59 PolarHBondContact O-N 3.45Å; H59-Q63 HydrophobicContact CB-CB 3.97Å; H59-Q63 WeakPolarHBondContact CB-O 3.5Å; H59-Q63 PolarHBondContact N-O 3.01Å; H59-R90 VanDerWaalsContact CE1-CZ 3.41Å; H59-R90 PolarHBondContact CE1-NH2 3.19Å; H59-R90 VanDerWaalsContact ND1-CZ 3.31Å; H59-R90 PolarHBondContact ND1-NH2 2.87Å; H59-T92 WeakPolarHBondContact CA-OG1 2.98Å; H59-S93 PolarHBondContact O-OG 2.86Å
60	A	97.4	Very high	95.8	Very high	29 Å²	29	24.2 Å²	24.2	24%	0.24	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	163.9	171.1	0	0	0	0	0	111.2	C34 N35 Y62 Q63 T92	C34-A60 CarbonylContact O-C 3.41Å; C34-A60 WeakPolarHBondContact O-CA 3.25Å; N35-A60 HydrophobicContact CB-CB 4.16Å; A60-Y62 PolarHBondContact O-N 3.18Å; A60-Q63 PolarHBondContact O-N 3.09Å; A60-T92 PolarHBondContact N-OG1 2.97Å
61	S	97.6	Very high	95.8	Very high	75 Å²	75	29 Å²	29	52%	0.524	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	33.5	179.3	-54.5	0	0	0	0	113.4	C34 Q63	C34-S61 PolarHBondContact O-N 3Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 WeakPolarHBondContact O-CG 3.26Å; S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q63 PolarHBondContact O-NE2 3.15Å
62	Y	97.1	Very high	95.8	Very high	43 Å²	43	28.8 Å²	28.8	17%	0.169	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	40.3	175.6	-40	-58.2	0	0	0	113	E32 C34 Y57 A60 S93 R95	E32-Y62 HydrophobicContact CB-CE1 4.48Å; E32-Y62 WeakPolarHBondContact CB-OH 3.41Å; E32-Y62 WeakPolarHBondContact CG-OH 3.45Å; E32-Y62 PolarHBondContact OE1-OH 2.77Å; C34-Y62 HydrophobicContact CB-CE1 4.36Å; C34-Y62 HydrophobicContact CB-CE2 4.31Å; Y57-Y62 WeakPolarHBondContact CD1-O 3.15Å; Y57-Y62 AromaticContact CD2-CD1 3.86Å; Y57-Y62 HydrophobicContact CD2-CD1 3.86Å; Y57-Y62 HydrophobicContact CD2-CG 4.38Å; Y57-Y62 WeakPolarHBondContact CE1-O 3.2Å; Y57-Y62 AromaticContact CE2-CD1 3.84Å; Y57-Y62 HydrophobicContact CE2-CD1 3.84Å; Y57-Y62 HydrophobicContact CE2-CG 4.17Å; A60-Y62 PolarHBondContact O-N 3.18Å; Y62-S93 WeakPolarHBondContact CA-OG 3.38Å; Y62-S93 PolarHBondContact N-OG 2.87Å; Y62-R95 HydrophobicContact CE1-CB 4.17Å
63	Q	96.5	Very high	95.9	Very high	93 Å²	93	34.4 Å²	34.4	44%	0.435	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	168	-178.4	-57.5	-57.5	-62.1	0	0	112	H59 A60 S61 S181	H59-Q63 HydrophobicContact CB-CB 3.97Å; H59-Q63 WeakPolarHBondContact CB-O 3.5Å; H59-Q63 PolarHBondContact N-O 3.01Å; A60-Q63 PolarHBondContact O-N 3.09Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 WeakPolarHBondContact O-CG 3.26Å; S61-Q63 PolarHBondContact O-N 2.89Å; S61-Q63 PolarHBondContact O-NE2 3.15Å; Q63-S181 WeakPolarHBondContact CA-OG 3.44Å; Q63-S181 PolarHBondContact OE1-OG 3.37Å
64	G	94.4	Very high	95.9	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-156.7	-179.5	0	0	0	0	0	113	S181	G64-S181 PolarHBondContact N-OG 3.48Å
65	Q	93.9	Very high	95.8	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.6	178	-176.6	49.3	35.9	0	0	111.7	Y57 E58 F67 Y86 Y160 Q161	Y57-Q65 WeakPolarHBondContact CA-O 3.46Å; E58-Q65 HydrophobicContact CB-CB 4.31Å; E58-Q65 PolarHBondContact N-O 3.03Å; E58-Q65 PolarHBondContact OE2-N 2.72Å; Q65-F67 HydrophobicContact CB-CE1 4.21Å; Q65-F67 HydrophobicContact CB-CZ 3.93Å; Q65-F67 HydrophobicContact CG-CD1 4.4Å; Q65-F67 HydrophobicContact CG-CE1 3.58Å; Q65-F67 HydrophobicContact CG-CZ 3.84Å; Q65-Y86 HydrophobicContact CB-CD1 4.34Å; Q65-Y86 HydrophobicContact CB-CE1 3.69Å; Q65-Y86 HydrophobicContact CG-CD1 3.85Å; Q65-Y86 HydrophobicContact CG-CE1 3.74Å; Q65-Y86 HydrophobicContact CG-CG 4.46Å; Q65-Y160 HydrophobicContact CG-CD1 4.23Å; Q65-Q161 PolarHBondContact NE2-O 3.47Å
66	Q	95.3	Very high	95.4	Very high	10 Å²	10	42 Å²	42	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	147.9	177.5	-68.4	169.3	71.6	0	0	111.4	V55 G56 Y57 I163 F179	V55-Q66 HydrophobicContact CG2-CB 4.13Å; V55-Q66 HydrophobicContact CG2-CG 4.25Å; G56-Q66 CarbonylContact O-C 3.51Å; G56-Q66 WeakPolarHBondContact O-CA 3.15Å; Y57-Q66 HydrophobicContact CD1-CG 3.84Å; Y57-Q66 HydrophobicContact CE1-CG 3.54Å; Q66-I163 HydrophobicContact CB-CG1 4.42Å; Q66-I163 VanDerWaalsContact OE1-N 3.09Å; Q66-F179 PolarHBondContact NE2-O 3.28Å
67	F	94.3	Very high	94.8	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.3	176.8	-45.4	-67.7	0	0	0	110	V55 G56 E58 Q65 F80 Y86 I88	V55-F67 WeakPolarHBondContact CA-O 3.33Å; G56-F67 PolarHBondContact N-O 3.01Å; G56-F67 PolarHBondContact O-N 3.02Å; E58-F67 HydrophobicContact CB-CE2 4.29Å; E58-F67 HydrophobicContact CB-CZ 4.42Å; Q65-F67 HydrophobicContact CB-CE1 4.21Å; Q65-F67 HydrophobicContact CB-CZ 3.93Å; Q65-F67 HydrophobicContact CG-CD1 4.4Å; Q65-F67 HydrophobicContact CG-CE1 3.58Å; Q65-F67 HydrophobicContact CG-CZ 3.84Å; F67-F80 HydrophobicContact CB-CB 4.2Å; F67-F80 HydrophobicContact CG-CB 4.36Å; F67-Y86 HydrophobicContact CE1-CD1 4.29Å; F67-Y86 HydrophobicContact CZ-CE1 4.41Å; F67-I88 HydrophobicContact CD1-CD1 3.44Å; F67-I88 VanDerWaalsContact CD1-CD1 3.44Å; F67-I88 HydrophobicContact CD1-CG1 4.16Å; F67-I88 HydrophobicContact CE1-CB 4.4Å; F67-I88 HydrophobicContact CE1-CD1 3.29Å; F67-I88 HydrophobicContact CE1-CG1 3.47Å; F67-I88 VanDerWaalsContact CE1-CG1 3.47Å; F67-I88 HydrophobicContact CE1-CG2 4.11Å; F67-I88 HydrophobicContact CE2-CG2 4.07Å; F67-I88 HydrophobicContact CG-CD1 4.28Å; F67-I88 HydrophobicContact CZ-CB 4.37Å; F67-I88 HydrophobicContact CZ-CD1 4.02Å; F67-I88 HydrophobicContact CZ-CG1 3.9Å; F67-I88 HydrophobicContact CZ-CG2 3.7Å
68	I	95.6	Very high	94.1	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.1	172.8	-170.2	53.5	0	0	0	110.6	E70 I97 V150 Q161 I163 I194	I68-E70 HydrophobicContact CD1-CG 4.4Å; I68-E70 HydrophobicContact CG1-CG 4Å; I68-I97 HydrophobicContact CD1-CD1 3.5Å; I68-I97 VanDerWaalsContact CD1-CD1 3.5Å; I68-V150 HydrophobicContact CB-CB 4.5Å; I68-V150 HydrophobicContact CB-CG2 4.37Å; I68-V150 HydrophobicContact CG2-CG1 4.49Å; I68-V150 HydrophobicContact CG2-CG2 4.34Å; I68-Q161 VanDerWaalsContact CG2-OE1 3.29Å; I68-I163 HydrophobicContact CB-CD1 4.05Å; I68-I163 HydrophobicContact CD1-CD1 4.11Å; I68-I163 HydrophobicContact CG1-CD1 4.47Å; I68-I194 HydrophobicContact CD1-CB 4.46Å; I68-I194 HydrophobicContact CD1-CD1 3.64Å; I68-I194 HydrophobicContact CD1-CG1 3.81Å; I68-I194 HydrophobicContact CD1-CG2 3.83Å; I68-I194 HydrophobicContact CG1-CD1 4.44Å; I68-I194 HydrophobicContact CG1-CG1 4.21Å
69	L	96.1	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	92.9	-179.1	-56.6	176.1	0	0	0	108.5	I14 L47 V49 W54 Y74 F80 M91	I14-L69 HydrophobicContact CD1-CD1 4.01Å; L47-L69 HydrophobicContact CD1-CD1 4.48Å; L47-L69 HydrophobicContact CD1-CD2 4.37Å; L47-L69 HydrophobicContact CD2-CD1 3.83Å; L47-L69 HydrophobicContact CD2-CD2 4.1Å; V49-L69 HydrophobicContact CG2-CB 4Å; W54-L69 HydrophobicContact CB-CB 4Å; W54-L69 HydrophobicContact CB-CD1 4.48Å; W54-L69 PolarHBondContact N-O 2.85Å; W54-L69 PolarHBondContact O-N 2.96Å; L69-Y74 HydrophobicContact CD2-CD1 4.47Å; L69-Y74 HydrophobicContact CD2-CE1 4.2Å; L69-F80 HydrophobicContact CD2-CB 4.2Å; L69-F80 HydrophobicContact CD2-CD1 4.06Å; L69-F80 HydrophobicContact CD2-CG 4.3Å; L69-M91 HydrophobicContact CD1-CE 4.38Å; L69-M91 HydrophobicContact CD1-SD 3.91Å
70	E	95.3	Very high	92.4	Very high	29 Å²	29	44.8 Å²	44.8	14%	0.136	24%	0.236	C	C	.	.			trans	-90.6	170.9	176	-67.4	168.8	141.8	0	0	109.6	V49 I68 G72 Y74 R192 I194 Q195	V49-E70 VanDerWaalsContact CB-O 3.3Å; V49-E70 WeakPolarHBondContact CB-O 3.19Å; V49-E70 WeakPolarHBondContact CG2-O 3.48Å; I68-E70 HydrophobicContact CD1-CG 4.4Å; I68-E70 HydrophobicContact CG1-CG 4Å; E70-G72 PolarHBondContact O-N 3.31Å; E70-Y74 PolarHBondContact N-OH 3.16Å; E70-Y74 WeakPolarHBondContact O-CE2 3.34Å; E70-Y74 PolarHBondContact O-OH 2.88Å; E70-R192 VanDerWaalsContact CD-NH1 3.33Å; E70-R192 IonicContact OE1-CZ 3.15Å; E70-R192 IonicContact OE1-NH1 3.6Å; E70-R192 PolarHBondContact OE1-NH1 2.88Å; E70-R192 IonicContact OE1-NH2 2.82Å; E70-R192 IonicContact OE2-CZ 3.5Å; E70-R192 IonicContact OE2-NH1 3.09Å; E70-R192 PolarHBondContact OE2-NH1 2.89Å; E70-R192 VanDerWaalsContact OE2-NH1 3.13Å; E70-R192 IonicContact OE2-NH2 2.96Å; E70-R192 PolarHBondContact OE2-NH2 3.26Å; E70-I194 HydrophobicContact CG-CG2 4.48Å; E70-Q195 PolarHBondContact OE1-N 3.48Å
71	R	95.1	Very high	90.9	Very high	185 Å²	185	43.9 Å²	43.9	70%	0.698	23%	0.23	S	C	*	.	S	Bend	trans	-52.4	125	179	-173.2	179.4	-179.6	172.6	0.9	111.6	V49 E50	V49-R71 WeakPolarHBondContact O-CA 3.32Å; V49-R71 WeakPolarHBondContact O-CG 3.25Å; E50-R71 PolarHBondContact O-NE 3.16Å
72	G	95.2	Very high	89.1	Confident	29 Å²	29	43 Å²	43	30%	0.299	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.2	-175.3	-177.4	0	0	0	0	0	114	R48 V49 E70	R48-G72 WeakPolarHBondContact CA-O 3.48Å; V49-G72 PolarHBondContact N-O 2.67Å; V49-G72 PolarHBondContact O-N 2.94Å; V49-G72 VanDerWaalsContact O-N 3.07Å; E70-G72 PolarHBondContact O-N 3.31Å
73	E	96.3	Very high	87	Confident	126 Å²	126	42.9 Å²	42.9	59%	0.589	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	132	178.5	-64.4	-164.6	154.3	0	0	110.2	F22 R48	F22-E73 HydrophobicContact CE1-CB 4.42Å; F22-E73 HydrophobicContact CE2-CB 4.49Å; F22-E73 HydrophobicContact CZ-CB 3.76Å; F22-E73 HydrophobicContact CZ-CG 4.43Å; R48-E73 HydrophobicContact CG-CG 4.2Å; R48-E73 IonicContact CZ-OE1 3.13Å; R48-E73 IonicContact NE-OE1 2.75Å; R48-E73 IonicContact NH2-OE1 3.03Å
74	Y	95.2	Very high	85.1	Confident	30 Å²	30	46.1 Å²	46.1	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	89.7	-177.5	-60.5	-100.9	0	0	0	108.6	S46 L47 V49 L69 E70 Q76 A79 F80	S46-Y74 CarbonylContact C-O 3.59Å; S46-Y74 VanDerWaalsContact CA-O 3.29Å; S46-Y74 WeakPolarHBondContact CA-O 3.35Å; S46-Y74 VanDerWaalsContact CB-O 3.27Å; S46-Y74 WeakPolarHBondContact CB-O 3.45Å; L47-Y74 HydrophobicContact CD1-CD2 3.31Å; L47-Y74 HydrophobicContact CD1-CE2 3.94Å; L47-Y74 HydrophobicContact CD1-CG 3.84Å; L47-Y74 HydrophobicContact CG-CD2 4.2Å; L47-Y74 HydrophobicContact CG-CG 4.27Å; L47-Y74 PolarHBondContact N-O 2.8Å; L47-Y74 WeakPolarHBondContact O-CB 3.36Å; L47-Y74 PolarHBondContact O-N 3.13Å; V49-Y74 HydrophobicContact CG2-CE2 4.05Å; L69-Y74 HydrophobicContact CD2-CD1 4.47Å; L69-Y74 HydrophobicContact CD2-CE1 4.2Å; E70-Y74 PolarHBondContact N-OH 3.16Å; E70-Y74 WeakPolarHBondContact O-CE2 3.34Å; E70-Y74 PolarHBondContact O-OH 2.88Å; Y74-Q76 VanDerWaalsContact C-N 3.25Å; Y74-Q76 PolarHBondContact O-N 3.18Å; Y74-A79 HydrophobicContact CD1-CB 3.97Å; Y74-A79 WeakPolarHBondContact CD1-O 3.41Å; Y74-A79 HydrophobicContact CG-CB 4.49Å; Y74-F80 AromaticContact CD1-CD1 3.77Å; Y74-F80 HydrophobicContact CD1-CD1 3.77Å; Y74-F80 HydrophobicContact CD1-CE1 4.44Å; Y74-F80 HydrophobicContact CG-CD1 4.01Å; Y74-F80 HydrophobicContact CG-CE1 4.24Å
75	P	94.4	Very high	83.3	Confident	48 Å²	48	48.6 Å²	48.6	31%	0.312	28%	0.278	S	S	.	.			trans	-73.7	-12.6	-169.9	28.5	-35.3	0	0	0	114.1	E20 C21 F22 S46	E20-P75 CarbonylContact C-O 3.57Å; E20-P75 WeakPolarHBondContact CA-O 3.41Å; C21-P75 PolarHBondContact N-O 3.11Å; F22-P75 HydrophobicContact CE2-CB 4.06Å; F22-P75 HydrophobicContact CZ-CB 3.81Å; S46-P75 VanDerWaalsContact CB-O 3.3Å; S46-P75 WeakPolarHBondContact CB-O 3.4Å
76	Q	90.3	Very high	82.2	Confident	83 Å²	83	50.9 Å²	50.9	39%	0.388	29%	0.287	S	S	.	.	S	Bend	trans	-156.7	164.8	-179.5	63.6	-173.2	4.6	0	0	110.7	E20 R45 Y74 D78 A79	E20-Q76 HydrophobicContact CG-CB 4.23Å; R45-Q76 CarbonylContact O-C 3.59Å; R45-Q76 WeakPolarHBondContact O-CA 3.27Å; Y74-Q76 VanDerWaalsContact C-N 3.25Å; Y74-Q76 PolarHBondContact O-N 3.18Å; Q76-D78 VanDerWaalsContact C-N 3.28Å; Q76-D78 HydrophobicContact CG-CB 4.37Å; Q76-D78 PolarHBondContact O-N 2.92Å; Q76-A79 VanDerWaalsContact O-CB 3.25Å; Q76-A79 WeakPolarHBondContact O-CB 3.48Å; Q76-A79 PolarHBondContact O-N 3.03Å
77	C	83.7	Confident	81.1	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.061	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-56	-38.6	-176.8	-67	0	0	0	0	114.2	R45 A79 F80 I88	R45-C77 PolarHBondContact O-N 2.81Å; C77-A79 PolarHBondContact O-N 3.46Å; C77-A79 VanDerWaalsContact O-N 3.14Å; C77-F80 VanDerWaalsContact CA-CE2 3.45Å; C77-F80 HydrophobicContact CB-CD2 4.24Å; C77-F80 HydrophobicContact CB-CE2 4Å; C77-F80 WeakPolarHBondContact O-CB 3.3Å; C77-F80 VanDerWaalsContact O-CD2 3.22Å; C77-F80 WeakPolarHBondContact O-CD2 3.39Å; C77-F80 VanDerWaalsContact O-CG 3.22Å; C77-F80 WeakPolarHBondContact O-CG 3.29Å; C77-F80 PolarHBondContact O-N 2.77Å; C77-I88 HydrophobicContact CB-CB 4.32Å; C77-I88 HydrophobicContact CB-CG2 4.32Å; C77-I88 WeakPolarHBondContact CB-O 3.29Å
78	D	82.3	Confident	80.3	Confident	87 Å²	87	56.8 Å²	56.8	47%	0.465	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.5	179.8	-70	-16.2	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 2.92Å; D78-F80 PolarHBondContact O-N 2.92Å; D78-G81 PolarHBondContact O-N 2.91Å
79	A	80.5	Confident	79.3	Confident	40 Å²	40	62.2 Å²	62.2	33%	0.331	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-67.3	-23	176.2	0	0	0	0	0	112.3	Y74 Q76 C77 G81	Y74-A79 HydrophobicContact CD1-CB 3.97Å; Y74-A79 WeakPolarHBondContact CD1-O 3.41Å; Y74-A79 HydrophobicContact CG-CB 4.49Å; Q76-A79 VanDerWaalsContact O-CB 3.25Å; Q76-A79 WeakPolarHBondContact O-CB 3.48Å; Q76-A79 PolarHBondContact O-N 3.03Å; C77-A79 PolarHBondContact O-N 3.46Å; C77-A79 VanDerWaalsContact O-N 3.14Å; A79-G81 VanDerWaalsContact C-N 3.34Å
80	F	74.1	Confident	78.9	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.013	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-74.1	-26.7	178.4	-43.3	-32	0	0	0	112	V44 L47 F67 L69 Y74 C77 D78 I88 Q161	V44-F80 HydrophobicContact CG1-CZ 4.43Å; L47-F80 HydrophobicContact CD2-CD1 4Å; L47-F80 HydrophobicContact CD2-CE1 3.47Å; L47-F80 VanDerWaalsContact CD2-CE1 3.47Å; L47-F80 HydrophobicContact CD2-CZ 3.81Å; L47-F80 HydrophobicContact CG-CD1 4.39Å; L47-F80 HydrophobicContact CG-CE1 3.69Å; L47-F80 HydrophobicContact CG-CZ 4.29Å; F67-F80 HydrophobicContact CB-CB 4.2Å; F67-F80 HydrophobicContact CG-CB 4.36Å; L69-F80 HydrophobicContact CD2-CB 4.2Å; L69-F80 HydrophobicContact CD2-CD1 4.06Å; L69-F80 HydrophobicContact CD2-CG 4.3Å; Y74-F80 AromaticContact CD1-CD1 3.77Å; Y74-F80 HydrophobicContact CD1-CD1 3.77Å; Y74-F80 HydrophobicContact CD1-CE1 4.44Å; Y74-F80 HydrophobicContact CG-CD1 4.01Å; Y74-F80 HydrophobicContact CG-CE1 4.24Å; C77-F80 VanDerWaalsContact CA-CE2 3.45Å; C77-F80 HydrophobicContact CB-CD2 4.24Å; C77-F80 HydrophobicContact CB-CE2 4Å; C77-F80 WeakPolarHBondContact O-CB 3.3Å; C77-F80 VanDerWaalsContact O-CD2 3.22Å; C77-F80 WeakPolarHBondContact O-CD2 3.39Å; C77-F80 VanDerWaalsContact O-CG 3.22Å; C77-F80 WeakPolarHBondContact O-CG 3.29Å; C77-F80 PolarHBondContact O-N 2.77Å; D78-F80 PolarHBondContact O-N 2.92Å; F80-I88 HydrophobicContact CB-CD1 3.81Å; F80-I88 HydrophobicContact CD2-CG2 4.2Å; F80-Q161 PolarHBondContact O-NE2 3.2Å
81	G	66.6	Low	78.9	Confident	11 Å²	11	66 Å²	66	11%	0.113	35%	0.353	C	S	.	.	S	Bend	trans	-84.3	-12.9	-164.2	0	0	0	0	0	116.3	D78 A79 S83 Q161	D78-G81 PolarHBondContact O-N 2.91Å; A79-G81 VanDerWaalsContact C-N 3.34Å; G81-S83 PolarHBondContact O-N 2.99Å; G81-Q161 VanDerWaalsContact C-NE2 3.28Å; G81-Q161 PolarHBondContact O-NE2 2.91Å
82	G	58.9	Low	79	Confident	56 Å²	56	57.7 Å²	57.7	58%	0.577	32%	0.323	S	S	*	.	S	Bend	trans	68.6	-18.1	174.7	0	0	0	0	0	116.4
83	S	54.2	Low	79.2	Confident	41 Å²	41	56.3 Å²	56.3	29%	0.287	31%	0.308	S	S	.	.	S	Bend	trans	179	131.1	168.9	173.6	0	0	0	0	110	G81 A85 R158	G81-S83 PolarHBondContact O-N 2.99Å; S83-A85 PolarHBondContact O-N 3.13Å; S83-R158 VanDerWaalsContact CB-CG 3.4Å; S83-R158 WeakPolarHBondContact OG-CD 3.21Å; S83-R158 WeakPolarHBondContact OG-CG 3.45Å
84	N	55.3	Low	79.3	Confident	161 Å²	161	50.3 Å²	50.3	86%	0.861	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38	34.9	-178.6	-67.9	-3.9	0	0	0	120.6
85	A	57.3	Low	79.4	Confident	57 Å²	57	49.7 Å²	49.7	47%	0.471	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-21.8	-180	0	0	0	0	0	113.1	S83	S83-A85 PolarHBondContact O-N 3.13Å
86	Y	69.7	Low	79.5	Confident	52 Å²	52	48.3 Å²	48.3	20%	0.204	27%	0.268	C	S	.	.	S	Bend	trans	-128.2	123.9	175.5	-171.1	-103	0	0	0	110.2	E58 Q65 F67 I88 Y160	E58-Y86 PolarHBondContact OE1-OH 2.75Å; E58-Y86 PolarHBondContact OE2-OH 2.97Å; E58-Y86 VanDerWaalsContact OE2-OH 3.09Å; Q65-Y86 HydrophobicContact CB-CD1 4.34Å; Q65-Y86 HydrophobicContact CB-CE1 3.69Å; Q65-Y86 HydrophobicContact CG-CD1 3.85Å; Q65-Y86 HydrophobicContact CG-CE1 3.74Å; Q65-Y86 HydrophobicContact CG-CG 4.46Å; F67-Y86 HydrophobicContact CE1-CD1 4.29Å; F67-Y86 HydrophobicContact CZ-CE1 4.41Å; Y86-I88 HydrophobicContact CD1-CG1 4.11Å; Y86-I88 PolarHBondContact O-N 2.75Å; Y86-Y160 AromaticContact CD2-CD1 3.95Å; Y86-Y160 HydrophobicContact CD2-CD1 3.95Å; Y86-Y160 AromaticContact CD2-CE1 3.12Å; Y86-Y160 HydrophobicContact CD2-CE1 3.12Å; Y86-Y160 AromaticContact CD2-CZ 3.75Å; Y86-Y160 HydrophobicContact CE2-CD1 4.4Å; Y86-Y160 AromaticContact CE2-CE1 3.38Å; Y86-Y160 HydrophobicContact CE2-CE1 3.38Å; Y86-Y160 HydrophobicContact CG-CD1 4.24Å; Y86-Y160 AromaticContact CG-CE1 3.85Å; Y86-Y160 HydrophobicContact CG-CE1 3.85Å
87	H	73.9	Confident	79.8	Confident	130 Å²	130	44.4 Å²	44.4	60%	0.602	25%	0.25	S	S	*	.			trans	-77	116	176.8	-177.3	-95.7	0	0	0	109.2	E89	H87-E89 WeakPolarHBondContact ND1-CG 3.46Å; H87-E89 IonicContact ND1-OE1 3.76Å; H87-E89 PolarHBondContact O-N 3.3Å
88	I	76.7	Confident	80.2	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.036	27%	0.27	C	S	.	.			trans	-91.1	98.2	-177.2	-56	177.3	0	0	0	108.8	F67 C77 F80 Y86	F67-I88 HydrophobicContact CD1-CD1 3.44Å; F67-I88 VanDerWaalsContact CD1-CD1 3.44Å; F67-I88 HydrophobicContact CD1-CG1 4.16Å; F67-I88 HydrophobicContact CE1-CB 4.4Å; F67-I88 HydrophobicContact CE1-CD1 3.29Å; F67-I88 HydrophobicContact CE1-CG1 3.47Å; F67-I88 VanDerWaalsContact CE1-CG1 3.47Å; F67-I88 HydrophobicContact CE1-CG2 4.11Å; F67-I88 HydrophobicContact CE2-CG2 4.07Å; F67-I88 HydrophobicContact CG-CD1 4.28Å; F67-I88 HydrophobicContact CZ-CB 4.37Å; F67-I88 HydrophobicContact CZ-CD1 4.02Å; F67-I88 HydrophobicContact CZ-CG1 3.9Å; F67-I88 HydrophobicContact CZ-CG2 3.7Å; C77-I88 HydrophobicContact CB-CB 4.32Å; C77-I88 HydrophobicContact CB-CG2 4.32Å; C77-I88 WeakPolarHBondContact CB-O 3.29Å; F80-I88 HydrophobicContact CB-CD1 3.81Å; F80-I88 HydrophobicContact CD2-CG2 4.2Å; Y86-I88 HydrophobicContact CD1-CG1 4.11Å; Y86-I88 PolarHBondContact O-N 2.75Å
89	E	74.7	Confident	80.7	Confident	123 Å²	123	43.4 Å²	43.4	58%	0.575	25%	0.253	S	S	*	.			trans	-78	-31.8	-179.9	-68.2	-173.2	173.9	0	0	112.9	R45 H87	R45-E89 PolarHBondContact NH1-O 2.94Å; R45-E89 VanDerWaalsContact NH1-O 3.15Å; H87-E89 WeakPolarHBondContact ND1-CG 3.46Å; H87-E89 IonicContact ND1-OE1 3.76Å; H87-E89 PolarHBondContact O-N 3.3Å
90	R	87.9	Confident	81.1	Confident	109 Å²	109	41.7 Å²	41.7	41%	0.411	24%	0.239	S	C	.	.			trans	-157.2	151.1	-171	54.4	177.4	170.2	167.4	-6.7	112.5	S43 E58 H59 T92	S43-R90 VanDerWaalsContact OG-CA 3.29Å; S43-R90 WeakPolarHBondContact OG-CA 3.41Å; E58-R90 WeakPolarHBondContact CA-O 3.37Å; E58-R90 HydrophobicContact CG-CG 3.94Å; H59-R90 VanDerWaalsContact CE1-CZ 3.41Å; H59-R90 PolarHBondContact CE1-NH2 3.19Å; H59-R90 VanDerWaalsContact ND1-CZ 3.31Å; H59-R90 PolarHBondContact ND1-NH2 2.87Å; R90-T92 HydrophobicContact CB-CG2 4.41Å
91	M	95	Very high	81.8	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.			trans	-134.5	120.3	165.1	-175.3	-176.5	69.3	0	0	107.9	S43 V44 L47 G56 Y57 L69 F94	S43-M91 PolarHBondContact OG-N 2.82Å; S43-M91 PolarHBondContact OG-O 2.76Å; V44-M91 HydrophobicContact CB-CB 4.45Å; V44-M91 HydrophobicContact CB-CE 3.48Å; V44-M91 VanDerWaalsContact CB-CE 3.48Å; V44-M91 HydrophobicContact CG1-CE 3.56Å; V44-M91 HydrophobicContact CG2-CE 3.66Å; V44-M91 PolarHBondContact N-O 2.96Å; L47-M91 HydrophobicContact CD2-CE 3.42Å; L47-M91 VanDerWaalsContact CD2-CE 3.42Å; L47-M91 HydrophobicContact CD2-SD 4.32Å; G56-M91 VanDerWaalsContact CA-SD 3.59Å; Y57-M91 WeakPolarHBondContact O-CA 3.4Å; Y57-M91 WeakPolarHBondContact O-CG 3.4Å; L69-M91 HydrophobicContact CD1-CE 4.38Å; L69-M91 HydrophobicContact CD1-SD 3.91Å; M91-F94 HydrophobicContact CE-CD1 4.26Å
92	T	96.9	Very high	82.6	Confident	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.254	C	S	.	.			trans	-127.8	-5.3	-168.7	55.2	0	0	0	0	114.5	N35 V36 Y57 E58 H59 A60 R90	N35-T92 WeakPolarHBondContact CA-O 3.29Å; V36-T92 WeakPolarHBondContact CG1-O 3.5Å; V36-T92 HydrophobicContact CG2-CG2 4.36Å; V36-T92 PolarHBondContact N-O 3.23Å; Y57-T92 PolarHBondContact O-N 3.12Å; E58-T92 PolarHBondContact O-OG1 2.9Å; H59-T92 WeakPolarHBondContact CA-OG1 2.98Å; A60-T92 PolarHBondContact N-OG1 2.97Å; R90-T92 HydrophobicContact CB-CG2 4.41Å
93	S	98.4	Very high	83.9	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.3	165.7	67.4	0	0	0	0	111.3	C33 C34 Y57 H59 Y62	C33-S93 CarbonylContact O-C 3.46Å; C33-S93 VanDerWaalsContact O-CA 3.26Å; C33-S93 WeakPolarHBondContact O-CA 3.32Å; C33-S93 WeakPolarHBondContact O-CB 3.45Å; C34-S93 WeakPolarHBondContact O-CB 3.47Å; Y57-S93 WeakPolarHBondContact CB-OG 3.26Å; Y57-S93 PolarHBondContact N-O 2.94Å; Y57-S93 PolarHBondContact O-N 2.87Å; H59-S93 PolarHBondContact O-OG 2.86Å; Y62-S93 WeakPolarHBondContact CA-OG 3.38Å; Y62-S93 PolarHBondContact N-OG 2.87Å
94	F	98.3	Very high	85.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.7	178.1	50.6	-96.1	0	0	0	111.2	I14 V16 F29 E32 C33 V36 V44 W54 V55 M91	I14-F94 HydrophobicContact CG2-CD2 4.12Å; I14-F94 HydrophobicContact CG2-CE2 3.79Å; V16-F94 HydrophobicContact CG1-CE1 3.97Å; V16-F94 HydrophobicContact CG1-CZ 4.09Å; F29-F94 HydrophobicContact CB-CE2 3.81Å; F29-F94 HydrophobicContact CB-CZ 4.29Å; F29-F94 HydrophobicContact CD1-CE2 4.1Å; F29-F94 HydrophobicContact CD1-CZ 4.04Å; F29-F94 AromaticContact CD2-CE2 3.87Å; F29-F94 HydrophobicContact CD2-CE2 3.87Å; F29-F94 AromaticContact CD2-CZ 3.43Å; F29-F94 HydrophobicContact CD2-CZ 3.43Å; F29-F94 VanDerWaalsContact CD2-CZ 3.43Å; 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 3.66Å; F29-F94 HydrophobicContact CG-CE2 3.66Å; F29-F94 AromaticContact CG-CZ 3.66Å; F29-F94 HydrophobicContact CG-CZ 3.66Å; F29-F94 AromaticContact CZ-CZ 3.98Å; F29-F94 HydrophobicContact CZ-CZ 3.98Å; E32-F94 WeakPolarHBondContact CA-O 3.3Å; C33-F94 HydrophobicContact CB-CD2 4.14Å; C33-F94 HydrophobicContact CB-CE1 4.04Å; C33-F94 HydrophobicContact CB-CE2 3.59Å; C33-F94 HydrophobicContact CB-CZ 3.52Å; C33-F94 PolarHBondContact N-O 2.85Å; C33-F94 PolarHBondContact O-N 3.44Å; V36-F94 HydrophobicContact CG1-CD1 4.23Å; V36-F94 HydrophobicContact CG1-CE1 3.58Å; V36-F94 HydrophobicContact CG1-CZ 4.45Å; V44-F94 HydrophobicContact CG2-CE1 4.39Å; W54-F94 AromaticContact CE3-CD2 3.87Å; W54-F94 HydrophobicContact CE3-CD2 3.87Å; W54-F94 AromaticContact CZ3-CD2 3.87Å; W54-F94 HydrophobicContact CZ3-CD2 3.87Å; W54-F94 HydrophobicContact CZ3-CE2 4.22Å; V55-F94 CarbonylContact O-C 3.54Å; V55-F94 WeakPolarHBondContact O-CA 3.38Å; V55-F94 WeakPolarHBondContact O-CB 3.37Å; M91-F94 HydrophobicContact CE-CD1 4.26Å
95	R	97.9	Very high	87.4	Confident	17 Å²	17	50.3 Å²	50.3	6%	0.064	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.3	177.3	66.9	178.3	175.7	82.5	0	111.7	E32 W54 V55 Y57 Y62 E165 R168	E32-R95 HydrophobicContact CB-CB 3.55Å; W54-R95 CarbonylContact C-O 3.57Å; W54-R95 WeakPolarHBondContact CA-O 3.39Å; V55-R95 HydrophobicContact CG1-CG 3.55Å; V55-R95 VanDerWaalsContact CG1-CZ 3.48Å; V55-R95 PolarHBondContact N-O 2.66Å; V55-R95 PolarHBondContact O-N 3.41Å; Y57-R95 HydrophobicContact CE2-CG 4.14Å; Y57-R95 PolarHBondContact OH-NE 2.77Å; Y57-R95 PolarHBondContact OH-NH2 2.63Å; Y62-R95 HydrophobicContact CE1-CB 4.17Å; R95-E165 IonicContact CZ-OE1 3.45Å; R95-E165 VanDerWaalsContact CZ-OE1 3.28Å; R95-E165 IonicContact CZ-OE2 2.75Å; R95-E165 VanDerWaalsContact NH1-CD 3.33Å; R95-E165 IonicContact NH1-OE1 3.86Å; R95-E165 PolarHBondContact NH1-OE1 2.94Å; R95-E165 VanDerWaalsContact NH1-OE1 3.09Å; R95-E165 IonicContact NH1-OE2 3.64Å; R95-E165 PolarHBondContact NH1-OE2 3.24Å; R95-E165 IonicContact NH2-OE1 2.99Å; R95-E165 PolarHBondContact NH2-OE1 3.13Å; R95-E165 IonicContact NH2-OE2 3.36Å; R95-R168 VanDerWaalsContact CZ-NH1 3.32Å
96	P	96.9	Very high	89.3	Confident	18 Å²	18	53.7 Å²	53.7	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	154	170.9	29.2	-34.6	0	0	0	111.5	W12 W54	W12-P96 HydrophobicContact CB-CB 4.49Å; W12-P96 HydrophobicContact CD2-CB 3.62Å; W12-P96 HydrophobicContact CD2-CG 4.27Å; W12-P96 HydrophobicContact CE3-CB 3.43Å; W12-P96 VanDerWaalsContact CE3-CB 3.43Å; W12-P96 HydrophobicContact CE3-CG 3.54Å; W12-P96 HydrophobicContact CG-CB 4.12Å; W12-P96 HydrophobicContact CH2-CB 4.45Å; W12-P96 HydrophobicContact CZ3-CB 3.88Å; W12-P96 HydrophobicContact CZ3-CG 3.72Å; W54-P96 HydrophobicContact CD2-CB 4.43Å; W54-P96 HydrophobicContact CE3-CB 4.37Å; W54-P96 HydrophobicContact CZ3-CB 4.45Å
97	I	96.3	Very high	90.7	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	23%	0.234	C	C	.	.			trans	-103.8	89.7	173	-55.3	178.7	0	0	0	107.2	A53 V55 I68 C99 A100 A148 I163 E165 I194	A53-I97 HydrophobicContact CB-CB 4.21Å; A53-I97 HydrophobicContact CB-CD1 4.27Å; A53-I97 PolarHBondContact O-N 2.83Å; V55-I97 HydrophobicContact CB-CD1 4.08Å; V55-I97 HydrophobicContact CB-CG1 4.23Å; V55-I97 HydrophobicContact CG1-CD1 4.43Å; V55-I97 HydrophobicContact CG1-CG1 4.06Å; I68-I97 HydrophobicContact CD1-CD1 3.5Å; I68-I97 VanDerWaalsContact CD1-CD1 3.5Å; I97-C99 VanDerWaalsContact C-N 3.29Å; I97-C99 PolarHBondContact O-N 2.8Å; I97-A100 HydrophobicContact CB-CB 4.21Å; I97-A100 HydrophobicContact CG2-CB 3.88Å; I97-A100 WeakPolarHBondContact O-CB 3.39Å; I97-A100 PolarHBondContact O-N 3.04Å; I97-A148 HydrophobicContact CG2-CB 3.57Å; I97-I163 HydrophobicContact CD1-CG2 4Å; I97-E165 HydrophobicContact CG2-CG 3.97Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.35Å; I97-I194 HydrophobicContact CD1-CD1 3.87Å; I97-I194 HydrophobicContact CD1-CG2 4.37Å
98	A	92.9	Very high	91.8	Very high	57 Å²	57	45.3 Å²	45.3	47%	0.471	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.3	-167.9	0	0	0	0	0	113.5	W12 A100	W12-A98 HydrophobicContact CH2-CB 3.56Å; W12-A98 HydrophobicContact CZ2-CB 3.87Å; A98-A100 VanDerWaalsContact C-N 3.33Å
99	C	92.5	Very high	92.9	Very high	17 Å²	17	45 Å²	45	12%	0.115	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.2	178.9	62.2	0	0	0	0	114.6	I97 N101 G147 E165 C166 D167	I97-C99 VanDerWaalsContact C-N 3.29Å; I97-C99 PolarHBondContact O-N 2.8Å; C99-N101 PolarHBondContact O-N 2.88Å; C99-G147 CarbonylContact O-C 3.45Å; C99-G147 VanDerWaalsContact O-CA 3.23Å; C99-G147 WeakPolarHBondContact O-CA 3.46Å; C99-E165 VanDerWaalsContact SG-CB 3.54Å; C99-C166 WeakPolarHBondContact CB-SG 3.31Å; C99-D167 HydrophobicContact CB-CB 4.39Å; C99-D167 PolarHBondContact SG-OD1 2.97Å
100	A	89.4	Confident	94	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	18%	0.181	C	C	.	.			trans	-62.6	104.2	177.2	0	0	0	0	0	111	A53 I97 A98 I194 Q196	A53-A100 HydrophobicContact CB-CB 3.85Å; I97-A100 HydrophobicContact CB-CB 4.21Å; I97-A100 HydrophobicContact CG2-CB 3.88Å; I97-A100 WeakPolarHBondContact O-CB 3.39Å; I97-A100 PolarHBondContact O-N 3.04Å; A98-A100 VanDerWaalsContact C-N 3.33Å; A100-I194 HydrophobicContact CB-CG2 3.92Å; A100-Q196 PolarHBondContact O-OE1 2.81Å; A100-Q196 VanDerWaalsContact O-OE1 3.13Å
101	N	87.3	Confident	94.5	Very high	31 Å²	31	37.8 Å²	37.8	17%	0.166	18%	0.177	C	C	.	.			trans	-139.4	90.8	176.2	178.9	6	0	0	0	109.8	C99 R103 E104 C105	C99-N101 PolarHBondContact O-N 2.88Å; N101-R103 PolarHBondContact O-N 2.96Å; N101-R103 PolarHBondContact OD1-N 2.99Å; N101-E104 CarbonylContact O-C 3.57Å; N101-E104 PolarHBondContact O-N 3.15Å; N101-C105 PolarHBondContact O-SG 3.31Å
102	H	83.6	Confident	94.6	Very high	58 Å²	58	44.9 Å²	44.9	27%	0.269	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.2	-175	-173.7	75.4	0	0	0	114.7	R193	H102-R193 PolarHBondContact CE1-NE 3.14Å
103	R	85.9	Confident	94.7	Very high	240 Å²	240	47.3 Å²	47.3	91%	0.906	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.1	-178.4	-63.9	-174.3	179	-167.4	-0.1	113.6	N101	N101-R103 PolarHBondContact O-N 2.96Å; N101-R103 PolarHBondContact OD1-N 2.99Å
104	E	89.5	Confident	94.7	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	23%	0.234	S	C	.	.	S	Bend	trans	-139	68	-174.7	-165	178.6	-174.5	0	0	110.4	N101 S146 G147	N101-E104 CarbonylContact O-C 3.57Å; N101-E104 PolarHBondContact O-N 3.15Å; E104-S146 CarbonylContact O-C 3.54Å; E104-S146 WeakPolarHBondContact O-CB 3.22Å; E104-S146 PolarHBondContact O-OG 3.27Å; E104-G147 PolarHBondContact O-N 3Å
105	C	94.3	Very high	94.7	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.068	24%	0.241	C	C	.	.			trans	-106.9	129.8	175.5	-68.3	0	0	0	0	110.8	N101 S146 F149 R193	N101-C105 PolarHBondContact O-SG 3.31Å; C105-S146 WeakPolarHBondContact CA-O 3.04Å; C105-F149 HydrophobicContact CB-CE1 4.1Å; C105-F149 HydrophobicContact CB-CE2 3.88Å; C105-F149 HydrophobicContact CB-CZ 3.5Å; C105-F149 VanDerWaalsContact CB-CZ 3.5Å; C105-R193 HydrophobicContact CB-CB 4.35Å; C105-R193 HydrophobicContact CB-CG 3.59Å
106	R	97.5	Very high	94.7	Very high	129 Å²	129	57 Å²	57	49%	0.487	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	128.4	173.1	-167.5	-175.6	-54.2	135.8	11.2	109.9	L122 Q145 S146	R106-L122 WeakPolarHBondContact CA-O 3.3Å; R106-Q145 HydrophobicContact CB-CB 4.26Å; R106-Q145 HydrophobicContact CG-CB 4.46Å; R106-Q145 PolarHBondContact O-N 2.82Å; R106-Q145 PolarHBondContact O-OE1 3.29Å; R106-S146 PolarHBondContact N-O 3.26Å; R106-S146 PolarHBondContact N-OG 3Å; R106-S146 PolarHBondContact O-N 2.88Å
107	M	98.2	Very high	94.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	176.3	173.2	-172.9	-81.8	0	0	110.1	I109 E121 L122 F142 R143 V144 F149 M164 I191	M107-I109 HydrophobicContact CG-CG2 4.27Å; M107-I109 HydrophobicContact SD-CG2 3.93Å; M107-E121 WeakPolarHBondContact O-CA 3.49Å; M107-L122 HydrophobicContact CB-CB 4.5Å; M107-L122 PolarHBondContact N-O 3.08Å; M107-L122 PolarHBondContact O-N 3.05Å; M107-F142 HydrophobicContact CE-CD1 4.02Å; M107-F142 HydrophobicContact CG-CD1 4.33Å; M107-F142 HydrophobicContact SD-CD1 3.56Å; M107-F142 VanDerWaalsContact SD-CD1 3.56Å; M107-F142 HydrophobicContact SD-CE1 4.07Å; M107-R143 CarbonylContact C-O 3.56Å; M107-R143 VanDerWaalsContact CA-O 3.28Å; M107-R143 WeakPolarHBondContact CA-O 3.36Å; M107-V144 HydrophobicContact CE-CG2 3.67Å; M107-F149 HydrophobicContact CB-CD2 4Å; M107-F149 HydrophobicContact CB-CE1 4.26Å; M107-F149 HydrophobicContact CB-CE2 3.54Å; M107-F149 HydrophobicContact CB-CZ 3.65Å; M107-F149 HydrophobicContact CE-CB 3.58Å; M107-F149 HydrophobicContact CE-CD1 4.48Å; M107-F149 HydrophobicContact CE-CD2 3.62Å; M107-F149 HydrophobicContact CE-CE2 4.39Å; M107-F149 HydrophobicContact CE-CG 3.66Å; M107-F149 HydrophobicContact SD-CD2 4.46Å; M107-F149 HydrophobicContact SD-CG 4.33Å; M107-M164 HydrophobicContact CE-CB 3.43Å; M107-M164 VanDerWaalsContact CE-CB 3.43Å; M107-M164 HydrophobicContact CE-CG 3.83Å; M107-I191 HydrophobicContact SD-CD1 4.39Å; M107-I191 HydrophobicContact SD-CG2 4.43Å
108	T	98.6	Very high	94.7	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	162.8	-54.4	0	0	0	0	109.6	F110 K119 G120 E121 F142 R143 Q145	T108-F110 HydrophobicContact CG2-CD2 4.25Å; T108-F110 HydrophobicContact CG2-CE1 4.1Å; T108-F110 HydrophobicContact CG2-CE2 3.55Å; T108-F110 HydrophobicContact CG2-CZ 3.46Å; T108-F110 VanDerWaalsContact CG2-CZ 3.46Å; T108-K119 HydrophobicContact CG2-CB 4.03Å; T108-K119 HydrophobicContact CG2-CD 4.09Å; T108-G120 CarbonylContact C-O 3.59Å; T108-G120 VanDerWaalsContact CA-O 3.3Å; T108-G120 WeakPolarHBondContact CA-O 3.18Å; T108-G120 WeakPolarHBondContact CG2-O 3.33Å; T108-E121 HydrophobicContact CG2-CG 4.3Å; T108-F142 WeakPolarHBondContact O-CA 3.43Å; T108-R143 PolarHBondContact N-O 2.98Å; T108-R143 PolarHBondContact O-N 2.96Å; T108-Q145 PolarHBondContact OG1-NE2 3.03Å
109	I	98.6	Very high	95	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.9	171.6	66.1	173.9	0	0	0	110	M107 K119 G120 L122 L129 M132 W134 V139 F142 I191	M107-I109 HydrophobicContact CG-CG2 4.27Å; M107-I109 HydrophobicContact SD-CG2 3.93Å; I109-K119 CarbonylContact O-C 3.55Å; I109-K119 WeakPolarHBondContact O-CA 3.25Å; I109-G120 PolarHBondContact N-O 2.76Å; I109-G120 PolarHBondContact O-N 2.79Å; I109-L122 HydrophobicContact CB-CD1 4.36Å; I109-L122 HydrophobicContact CD1-CD1 3.87Å; I109-L122 HydrophobicContact CG1-CD1 3.7Å; I109-L122 HydrophobicContact CG2-CD1 3.88Å; I109-L122 HydrophobicContact CG2-CD2 4.17Å; I109-L129 HydrophobicContact CD1-CD1 4.37Å; I109-L129 HydrophobicContact CD1-CD2 4.47Å; I109-M132 HydrophobicContact CD1-CE 4.22Å; I109-W134 HydrophobicContact CD1-CD2 3.76Å; I109-W134 HydrophobicContact CD1-CE3 3.67Å; I109-W134 HydrophobicContact CD1-CG 4.39Å; I109-W134 HydrophobicContact CD1-CH2 4.02Å; I109-W134 HydrophobicContact CD1-CZ2 4.09Å; I109-W134 HydrophobicContact CD1-CZ3 3.82Å; I109-W134 HydrophobicContact CG1-CE3 4.18Å; I109-W134 HydrophobicContact CG1-CH2 3.86Å; I109-W134 HydrophobicContact CG1-CZ2 4.31Å; I109-W134 HydrophobicContact CG1-CZ3 3.79Å; I109-V139 HydrophobicContact CB-CG1 3.74Å; I109-V139 HydrophobicContact CD1-CG2 4.3Å; I109-V139 HydrophobicContact CG2-CG1 4.15Å; I109-F142 HydrophobicContact CB-CD1 4.49Å; I109-F142 HydrophobicContact CG2-CD1 3.71Å; I109-F142 HydrophobicContact CG2-CE1 3.69Å; I109-I191 HydrophobicContact CG2-CD1 3.89Å
110	F	98.6	Very high	95.2	Very high	16 Å²	16	67.5 Å²	67.5	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.9	178.6	-61.1	-95.1	0	0	0	110.8	T108 R112 F115 R118 K119 G140 S141 R143	T108-F110 HydrophobicContact CG2-CD2 4.25Å; T108-F110 HydrophobicContact CG2-CE1 4.1Å; T108-F110 HydrophobicContact CG2-CE2 3.55Å; T108-F110 HydrophobicContact CG2-CZ 3.46Å; T108-F110 VanDerWaalsContact CG2-CZ 3.46Å; F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 2.68Å; F110-F115 VanDerWaalsContact CD1-C 3.45Å; F110-F115 HydrophobicContact CD1-CB 3.98Å; F110-F115 VanDerWaalsContact CD1-O 3.31Å; F110-F115 WeakPolarHBondContact CD1-O 3.47Å; F110-F115 HydrophobicContact CD2-CB 4.12Å; F110-F115 AromaticContact CD2-CD1 3.77Å; F110-F115 HydrophobicContact CD2-CD1 3.77Å; F110-F115 HydrophobicContact CD2-CG 4.4Å; F110-F115 HydrophobicContact CE1-CB 3.87Å; F110-F115 HydrophobicContact CE2-CB 4.03Å; F110-F115 AromaticContact CE2-CD1 3.78Å; F110-F115 HydrophobicContact CE2-CD1 3.78Å; F110-F115 HydrophobicContact CE2-CG 4.22Å; F110-F115 HydrophobicContact CG-CB 4.11Å; F110-F115 HydrophobicContact CG-CD1 4.45Å; F110-F115 HydrophobicContact CZ-CB 3.9Å; F110-F115 HydrophobicContact CZ-CD1 4.45Å; F110-F115 HydrophobicContact CZ-CG 4.45Å; F110-R118 WeakPolarHBondContact CA-O 3.49Å; F110-K119 HydrophobicContact CD1-CB 3.78Å; F110-K119 HydrophobicContact CE1-CB 3.83Å; F110-K119 HydrophobicContact CE1-CD 4.25Å; F110-G140 PolarHBondContact O-N 3.43Å; F110-S141 WeakPolarHBondContact CB-OG 3.24Å; F110-S141 PolarHBondContact N-O 3.34Å; F110-S141 PolarHBondContact O-N 2.86Å; F110-R143 HydrophobicContact CE2-CB 4.2Å; F110-R143 HydrophobicContact CE2-CG 4Å
111	E	97.6	Very high	95.6	Very high	66 Å²	66	73.1 Å²	73.1	31%	0.308	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-36.8	-178.9	-174.2	-167.3	147.3	0	0	112	R118 W134 G140	E111-R118 HydrophobicContact CB-CB 4.35Å; E111-R118 PolarHBondContact N-O 3.24Å; E111-R118 WeakPolarHBondContact OE2-CB 3.44Å; E111-R118 PolarHBondContact OE2-N 3.41Å; E111-W134 HydrophobicContact CB-CH2 4.26Å; E111-W134 HydrophobicContact CB-CZ2 4.28Å; E111-G140 PolarHBondContact O-N 3Å
112	R	97.9	Very high	96	Very high	148 Å²	148	71.8 Å²	71.8	56%	0.558	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.5	-175.8	-57.5	-179.1	-172.2	-171.6	0.1	111.1	F110 M116 G140 S141	F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 2.68Å; R112-M116 HydrophobicContact CB-CB 4.03Å; R112-M116 PolarHBondContact N-O 3.4Å; R112-G140 CarbonylContact O-C 3.59Å; R112-S141 PolarHBondContact O-N 3.4Å; R112-S141 PolarHBondContact O-OG 2.76Å
113	E	98.1	Very high	96.6	Very high	62 Å²	62	71.9 Å²	71.9	29%	0.29	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-58.1	162.6	170.5	-62.7	-162.5	145.2	0	0	111.4	F115 M116 K174 H175 F176	E113-F115 PolarHBondContact O-N 2.96Å; E113-M116 PolarHBondContact O-N 2.82Å; E113-K174 CarbonylContact C-O 3.6Å; E113-K174 VanDerWaalsContact CA-O 3.26Å; E113-K174 WeakPolarHBondContact CA-O 3.13Å; E113-K174 VanDerWaalsContact CB-O 3.26Å; E113-K174 WeakPolarHBondContact CB-O 3.22Å; E113-H175 VanDerWaalsContact CD-ND1 3.25Å; E113-H175 WeakPolarHBondContact OE1-CA 3.38Å; E113-H175 IonicContact OE1-CG 2.92Å; E113-H175 IonicContact OE1-ND1 3.69Å; E113-H175 IonicContact OE2-CE1 3.72Å; E113-H175 IonicContact OE2-CG 3.82Å; E113-H175 IonicContact OE2-ND1 2.92Å; E113-H175 PolarHBondContact OE2-ND1 3.38Å; E113-F176 WeakPolarHBondContact OE1-CD1 3.36Å; E113-F176 PolarHBondContact OE1-N 3.49Å
114	N	98.2	Very high	97.1	Very high	80 Å²	80	64 Å²	64	43%	0.428	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	57.7	30.5	179.8	-57.7	-68.1	0	0	0	114.6	M116 K174	N114-M116 VanDerWaalsContact C-N 3.3Å; N114-M116 HydrophobicContact CB-CG 4.45Å; N114-M116 PolarHBondContact O-N 3.02Å; N114-K174 PolarHBondContact N-O 3.38Å
115	F	98.3	Very high	97.5	Very high	30 Å²	30	60.9 Å²	60.9	13%	0.132	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	62.6	33.8	177	-41	-49.9	0	0	0	114	F110 E113 S141 F142 R143 E172 K174	F110-F115 VanDerWaalsContact CD1-C 3.45Å; F110-F115 HydrophobicContact CD1-CB 3.98Å; F110-F115 VanDerWaalsContact CD1-O 3.31Å; F110-F115 WeakPolarHBondContact CD1-O 3.47Å; F110-F115 HydrophobicContact CD2-CB 4.12Å; F110-F115 AromaticContact CD2-CD1 3.77Å; F110-F115 HydrophobicContact CD2-CD1 3.77Å; F110-F115 HydrophobicContact CD2-CG 4.4Å; F110-F115 HydrophobicContact CE1-CB 3.87Å; F110-F115 HydrophobicContact CE2-CB 4.03Å; F110-F115 AromaticContact CE2-CD1 3.78Å; F110-F115 HydrophobicContact CE2-CD1 3.78Å; F110-F115 HydrophobicContact CE2-CG 4.22Å; F110-F115 HydrophobicContact CG-CB 4.11Å; F110-F115 HydrophobicContact CG-CD1 4.45Å; F110-F115 HydrophobicContact CZ-CB 3.9Å; F110-F115 HydrophobicContact CZ-CD1 4.45Å; F110-F115 HydrophobicContact CZ-CG 4.45Å; E113-F115 PolarHBondContact O-N 2.96Å; F115-S141 VanDerWaalsContact CA-OG 3.31Å; F115-S141 WeakPolarHBondContact CA-OG 3.33Å; F115-S141 WeakPolarHBondContact CD1-OG 3.49Å; F115-S141 PolarHBondContact N-OG 3.36Å; F115-F142 VanDerWaalsContact CE1-O 3.27Å; F115-F142 WeakPolarHBondContact CE1-O 3.49Å; F115-R143 HydrophobicContact CD1-CG 3.9Å; F115-R143 HydrophobicContact CE1-CG 3.64Å; F115-R143 HydrophobicContact CE2-CG 4.39Å; F115-R143 HydrophobicContact CG-CG 4.42Å; F115-R143 HydrophobicContact CZ-CG 3.88Å; F115-E172 HydrophobicContact CE2-CB 4.5Å; F115-E172 HydrophobicContact CE2-CG 4.32Å; F115-E172 WeakPolarHBondContact CE2-OE1 3.28Å; F115-E172 HydrophobicContact CZ-CB 3.82Å; F115-E172 HydrophobicContact CZ-CG 3.98Å; F115-K174 HydrophobicContact CD2-CG 4.46Å; F115-K174 HydrophobicContact CE1-CG 4.03Å; F115-K174 HydrophobicContact CE2-CD 4.16Å; F115-K174 HydrophobicContact CE2-CG 3.62Å; F115-K174 HydrophobicContact CZ-CB 4.48Å; F115-K174 HydrophobicContact CZ-CD 4.27Å; F115-K174 HydrophobicContact CZ-CG 3.36Å
116	M	98.3	Very high	97.6	Very high	111 Å²	111	62.8 Å²	62.8	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	162.8	-177.6	-63.2	-173.6	68.2	0	0	112.7	R112 E113 N114	R112-M116 HydrophobicContact CB-CB 4.03Å; R112-M116 PolarHBondContact N-O 3.4Å; E113-M116 PolarHBondContact O-N 2.82Å; N114-M116 VanDerWaalsContact C-N 3.3Å; N114-M116 HydrophobicContact CB-CG 4.45Å; N114-M116 PolarHBondContact O-N 3.02Å
117	G	97.3	Very high	97.6	Very high	49 Å²	49	60 Å²	60	51%	0.505	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81	-159.4	177.2	0	0	0	0	0	113
118	R	97.1	Very high	97.6	Very high	135 Å²	135	61.3 Å²	61.3	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.8	177.4	-172.3	173.1	176.8	-168.2	-8	110.2	F110 E111 G133 W134 C135	F110-R118 WeakPolarHBondContact CA-O 3.49Å; E111-R118 HydrophobicContact CB-CB 4.35Å; E111-R118 PolarHBondContact N-O 3.24Å; E111-R118 WeakPolarHBondContact OE2-CB 3.44Å; E111-R118 PolarHBondContact OE2-N 3.41Å; R118-G133 PolarHBondContact NH2-O 2.95Å; R118-W134 WeakPolarHBondContact O-CH2 3.27Å; R118-C135 PolarHBondContact NH1-SG 3.45Å
119	K	97.6	Very high	97.6	Very high	117 Å²	117	61.1 Å²	61.1	51%	0.509	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	155.3	175.3	68.7	165.5	-174.9	149.8	0	112.5	T108 I109 F110 E121	T108-K119 HydrophobicContact CG2-CB 4.03Å; T108-K119 HydrophobicContact CG2-CD 4.09Å; I109-K119 CarbonylContact O-C 3.55Å; I109-K119 WeakPolarHBondContact O-CA 3.25Å; F110-K119 HydrophobicContact CD1-CB 3.78Å; F110-K119 HydrophobicContact CE1-CB 3.83Å; F110-K119 HydrophobicContact CE1-CD 4.25Å; K119-E121 IonicContact NZ-OE1 3.96Å; K119-E121 PolarHBondContact NZ-OE1 2.9Å
120	G	97.1	Very high	97.5	Very high	13 Å²	13	63.8 Å²	63.8	13%	0.134	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.5	170.6	0	0	0	0	0	110.3	T108 I109	T108-G120 CarbonylContact C-O 3.59Å; T108-G120 VanDerWaalsContact CA-O 3.3Å; T108-G120 WeakPolarHBondContact CA-O 3.18Å; T108-G120 WeakPolarHBondContact CG2-O 3.33Å; I109-G120 PolarHBondContact N-O 2.76Å; I109-G120 PolarHBondContact O-N 2.79Å
121	E	97.5	Very high	97.4	Very high	122 Å²	122	67.1 Å²	67.1	57%	0.57	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.1	177.6	-68.6	177.1	-163.3	0	0	109.4	M107 T108 K119	M107-E121 WeakPolarHBondContact O-CA 3.49Å; T108-E121 HydrophobicContact CG2-CG 4.3Å; K119-E121 IonicContact NZ-OE1 3.96Å; K119-E121 PolarHBondContact NZ-OE1 2.9Å
122	L	96.8	Very high	97.3	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.3	-172.2	-73	70.2	0	0	0	109.2	R106 M107 I109 Y126 L129 M132 I191	R106-L122 WeakPolarHBondContact CA-O 3.3Å; M107-L122 HydrophobicContact CB-CB 4.5Å; M107-L122 PolarHBondContact N-O 3.08Å; M107-L122 PolarHBondContact O-N 3.05Å; I109-L122 HydrophobicContact CB-CD1 4.36Å; I109-L122 HydrophobicContact CD1-CD1 3.87Å; I109-L122 HydrophobicContact CG1-CD1 3.7Å; I109-L122 HydrophobicContact CG2-CD1 3.88Å; I109-L122 HydrophobicContact CG2-CD2 4.17Å; L122-Y126 HydrophobicContact CB-CD2 4.43Å; L122-Y126 HydrophobicContact CB-CE2 3.95Å; L122-Y126 HydrophobicContact CD2-CD2 3.86Å; L122-Y126 HydrophobicContact CD2-CE2 4.16Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.73Å; L122-L129 HydrophobicContact CD2-CD2 4.19Å; L122-M132 HydrophobicContact CD1-CE 4.48Å; L122-I191 HydrophobicContact CD2-CB 4.12Å; L122-I191 HydrophobicContact CD2-CD1 3.77Å; L122-I191 HydrophobicContact CD2-CG1 4.47Å; L122-I191 HydrophobicContact CD2-CG2 4.12Å
123	S	95.8	Very high	97.2	Very high	60 Å²	60	61.7 Å²	61.7	42%	0.42	34%	0.343	S	S	.	.			trans	-126.3	-4	172.5	52.4	0	0	0	0	113.3	R193	S123-R193 WeakPolarHBondContact O-CD 3.28Å; S123-R193 PolarHBondContact O-NH1 3.03Å
124	D	95.9	Very high	97.2	Very high	74 Å²	74	59.2 Å²	59.2	40%	0.396	33%	0.331	S	S	.	.	S	Bend	trans	-133.6	179.3	-171.9	-67.6	-69.6	0	0	0	111.7	Y126 R193	D124-Y126 HydrophobicContact CB-CE2 4.23Å; D124-Y126 WeakPolarHBondContact O-CD2 3.22Å; D124-Y126 VanDerWaalsContact O-CE2 3.24Å; D124-Y126 WeakPolarHBondContact O-CE2 3.22Å; D124-R193 IonicContact OD1-CZ 3.6Å; D124-R193 IonicContact OD1-NH1 3.28Å; D124-R193 PolarHBondContact OD1-NH1 3.14Å; D124-R193 IonicContact OD1-NH2 2.63Å
125	D	97.6	Very high	96.8	Very high	50 Å²	50	60.6 Å²	60.6	27%	0.267	35%	0.346	S	S	.	.			trans	-89.6	128.8	-179.3	-51.2	-41.1	0	0	0	110	R192 R193	D125-R192 HydrophobicContact CB-CB 3.91Å; D125-R192 WeakPolarHBondContact OD1-CA 3.26Å; D125-R192 WeakPolarHBondContact OD1-CB 3.19Å; D125-R193 WeakPolarHBondContact OD1-CB 3.45Å; D125-R193 WeakPolarHBondContact OD1-CG 3.37Å; D125-R193 IonicContact OD1-CZ 3.64Å; D125-R193 PolarHBondContact OD1-N 3.15Å; D125-R193 IonicContact OD1-NE 2.77Å; D125-R193 PolarHBondContact OD1-NE 3.21Å; D125-R193 IonicContact OD1-NH2 3.76Å; D125-R193 IonicContact OD2-CZ 3.92Å; D125-R193 IonicContact OD2-NE 3.71Å; D125-R193 IonicContact OD2-NH2 3.51Å; D125-R193 PolarHBondContact OD2-NH2 3.1Å
126	Y	97.8	Very high	96.4	Very high	50 Å²	50	62 Å²	62	20%	0.196	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-121.9	96	-176.4	-65.5	-84.1	0	0	0	110.1	L122 D124 S128 M132 S190 I191	L122-Y126 HydrophobicContact CB-CD2 4.43Å; L122-Y126 HydrophobicContact CB-CE2 3.95Å; L122-Y126 HydrophobicContact CD2-CD2 3.86Å; L122-Y126 HydrophobicContact CD2-CE2 4.16Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.73Å; D124-Y126 HydrophobicContact CB-CE2 4.23Å; D124-Y126 WeakPolarHBondContact O-CD2 3.22Å; D124-Y126 VanDerWaalsContact O-CE2 3.24Å; D124-Y126 WeakPolarHBondContact O-CE2 3.22Å; Y126-S128 PolarHBondContact O-N 3.22Å; Y126-M132 HydrophobicContact CD1-CB 3.72Å; Y126-M132 HydrophobicContact CD1-CG 3.79Å; Y126-M132 HydrophobicContact CE1-CB 3.93Å; Y126-M132 HydrophobicContact CE1-CG 3.49Å; Y126-M132 VanDerWaalsContact CE1-CG 3.49Å; Y126-S190 VanDerWaalsContact O-CA 3.27Å; Y126-S190 WeakPolarHBondContact O-CA 3.43Å; Y126-S190 WeakPolarHBondContact O-CB 3.41Å; Y126-I191 CarbonylContact C-O 3.54Å; Y126-I191 PolarHBondContact N-O 3.01Å; Y126-I191 PolarHBondContact O-N 3.06Å
127	P	97.4	Very high	96.3	Very high	69 Å²	69	60.4 Å²	60.4	45%	0.448	35%	0.348	S	S	.	.	S	Bend	trans	-68.1	-14.1	175.4	28.4	-34.3	0	0	0	112.6	P155 G156 Y157 S190	P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.32Å; P127-P155 WeakPolarHBondContact O-CA 3.31Å; P127-G156 PolarHBondContact O-N 3.38Å; P127-Y157 HydrophobicContact CB-CE1 4.33Å; P127-Y157 HydrophobicContact CB-CE2 4.13Å; P127-Y157 WeakPolarHBondContact CD-OH 3.3Å; P127-S190 VanDerWaalsContact O-CB 3.31Å; P127-S190 WeakPolarHBondContact O-CB 3.31Å
128	S	97.9	Very high	96.4	Very high	29 Å²	29	61.9 Å²	61.9	20%	0.203	34%	0.342	C	S	.	.			trans	-146.6	118.7	167.5	171.2	0	0	0	0	109.7	Y126 Q130 A131 M132 Q189	Y126-S128 PolarHBondContact O-N 3.22Å; S128-Q130 VanDerWaalsContact C-N 3.25Å; S128-Q130 PolarHBondContact O-N 2.78Å; S128-Q130 PolarHBondContact OG-N 2.88Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; S128-Q130 VanDerWaalsContact OG-OE1 3.1Å; S128-A131 PolarHBondContact O-N 3.39Å; S128-A131 PolarHBondContact OG-N 2.98Å; S128-A131 VanDerWaalsContact OG-N 3.08Å; S128-M132 PolarHBondContact O-N 3.15Å; S128-Q189 WeakPolarHBondContact CA-O 3.34Å
129	L	98.1	Very high	96.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-33.3	172.5	-66.4	-176.6	0	0	0	111.2	I109 L122 A131 M132 G133 W134 V139 I188 Q189 I191	I109-L129 HydrophobicContact CD1-CD1 4.37Å; I109-L129 HydrophobicContact CD1-CD2 4.47Å; L122-L129 HydrophobicContact CD2-CD2 4.19Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 2.97Å; L129-M132 HydrophobicContact CD2-CE 4.38Å; L129-M132 WeakPolarHBondContact O-CB 3.24Å; L129-M132 PolarHBondContact O-N 2.92Å; L129-M132 VanDerWaalsContact O-N 3.12Å; L129-G133 PolarHBondContact O-N 3.35Å; L129-W134 HydrophobicContact CB-CB 3.82Å; L129-W134 HydrophobicContact CB-CG 4.22Å; L129-W134 WeakPolarHBondContact O-CB 3.45Å; L129-W134 PolarHBondContact O-N 2.99Å; L129-V139 HydrophobicContact CD1-CG2 3.93Å; L129-I188 HydrophobicContact CD1-CG2 4.18Å; L129-Q189 PolarHBondContact N-O 2.85Å; L129-I191 HydrophobicContact CD1-CD1 3.98Å; L129-I191 HydrophobicContact CD1-CG1 4.23Å; L129-I191 HydrophobicContact CD2-CB 4.5Å; L129-I191 HydrophobicContact CD2-CD1 4.08Å; L129-I191 HydrophobicContact CD2-CG1 4.17Å
130	Q	97.1	Very high	96.4	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-39.1	177	-58.5	87	-9.4	0	0	111.9	S128 M132 G133 W134 N137	S128-Q130 VanDerWaalsContact C-N 3.25Å; S128-Q130 PolarHBondContact O-N 2.78Å; S128-Q130 PolarHBondContact OG-N 2.88Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; S128-Q130 VanDerWaalsContact OG-OE1 3.1Å; Q130-M132 PolarHBondContact O-N 2.77Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.86Å; Q130-W134 WeakPolarHBondContact CA-O 3.43Å; Q130-N137 PolarHBondContact NE2-OD1 2.88Å
131	A	96.6	Very high	96.5	Very high	86 Å²	86	49.5 Å²	49.5	71%	0.711	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-27	173.6	0	0	0	0	0	112.9	S128 L129 G133	S128-A131 PolarHBondContact O-N 3.39Å; S128-A131 PolarHBondContact OG-N 2.98Å; S128-A131 VanDerWaalsContact OG-N 3.08Å; L129-A131 VanDerWaalsContact C-N 3.35Å; L129-A131 PolarHBondContact O-N 2.97Å; A131-G133 PolarHBondContact O-N 2.87Å
132	M	95.1	Very high	96.6	Very high	68 Å²	68	43.7 Å²	43.7	34%	0.335	26%	0.262	S	S	.	.	H	α-helix	trans	-73.7	-15.5	170.9	-179.2	-86	-73.4	0	0	112.8	I109 L122 Y126 S128 L129 Q130 W134	I109-M132 HydrophobicContact CD1-CE 4.22Å; L122-M132 HydrophobicContact CD1-CE 4.48Å; Y126-M132 HydrophobicContact CD1-CB 3.72Å; Y126-M132 HydrophobicContact CD1-CG 3.79Å; Y126-M132 HydrophobicContact CE1-CB 3.93Å; Y126-M132 HydrophobicContact CE1-CG 3.49Å; Y126-M132 VanDerWaalsContact CE1-CG 3.49Å; S128-M132 PolarHBondContact O-N 3.15Å; L129-M132 HydrophobicContact CD2-CE 4.38Å; L129-M132 WeakPolarHBondContact O-CB 3.24Å; L129-M132 PolarHBondContact O-N 2.92Å; L129-M132 VanDerWaalsContact O-N 3.12Å; Q130-M132 PolarHBondContact O-N 2.77Å; M132-W134 HydrophobicContact CE-CB 4.2Å
133	G	96	Very high	96.6	Very high	32 Å²	32	48 Å²	48	33%	0.33	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	13.9	-177.4	0	0	0	0	0	114.1	R118 L129 Q130 A131 C135	R118-G133 PolarHBondContact NH2-O 2.95Å; L129-G133 PolarHBondContact O-N 3.35Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.86Å; A131-G133 PolarHBondContact O-N 2.87Å; G133-C135 PolarHBondContact O-N 3.08Å
134	W	97.2	Very high	96.8	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.038	26%	0.26	C	S	.	.			trans	-73.3	118.7	168.9	-165.5	-112.6	0	0	0	110	I109 E111 R118 L129 Q130 M132 N136 E138 V139	I109-W134 HydrophobicContact CD1-CD2 3.76Å; I109-W134 HydrophobicContact CD1-CE3 3.67Å; I109-W134 HydrophobicContact CD1-CG 4.39Å; I109-W134 HydrophobicContact CD1-CH2 4.02Å; I109-W134 HydrophobicContact CD1-CZ2 4.09Å; I109-W134 HydrophobicContact CD1-CZ3 3.82Å; I109-W134 HydrophobicContact CG1-CE3 4.18Å; I109-W134 HydrophobicContact CG1-CH2 3.86Å; I109-W134 HydrophobicContact CG1-CZ2 4.31Å; I109-W134 HydrophobicContact CG1-CZ3 3.79Å; E111-W134 HydrophobicContact CB-CH2 4.26Å; E111-W134 HydrophobicContact CB-CZ2 4.28Å; R118-W134 WeakPolarHBondContact O-CH2 3.27Å; L129-W134 HydrophobicContact CB-CB 3.82Å; L129-W134 HydrophobicContact CB-CG 4.22Å; L129-W134 WeakPolarHBondContact O-CB 3.45Å; L129-W134 PolarHBondContact O-N 2.99Å; Q130-W134 WeakPolarHBondContact CA-O 3.43Å; M132-W134 HydrophobicContact CE-CB 4.2Å; W134-N136 PolarHBondContact O-N 3.19Å; W134-E138 PolarHBondContact NE1-O 2.91Å; W134-V139 HydrophobicContact CZ2-CG2 4.24Å
135	C	90.2	Very high	96.8	Very high	110 Å²	110	46 Å²	46	74%	0.743	26%	0.261	S	S	*	.			trans	-84.1	-9.4	-168.8	-60.7	0	0	0	0	114.8	R118 G133	R118-C135 PolarHBondContact NH1-SG 3.45Å; G133-C135 PolarHBondContact O-N 3.08Å
136	N	91.2	Very high	96.8	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	25%	0.254	S	S	.	.	S	Bend	trans	-113.5	161.7	-177.7	-161.6	-3.2	0	0	0	110.5	W134 E138	W134-N136 PolarHBondContact O-N 3.19Å; N136-E138 VanDerWaalsContact C-N 3.26Å
137	N	96.3	Very high	96.7	Very high	77 Å²	77	42.4 Å²	42.4	41%	0.412	25%	0.247	S	C	.	.	S	Bend	trans	-88.4	1.6	169.7	-64.5	-20.7	0	0	0	112.3	Q130 Q187 I188 Q189	Q130-N137 PolarHBondContact NE2-OD1 2.88Å; N137-Q187 CarbonylContact O-C 3.56Å; N137-Q187 WeakPolarHBondContact O-CA 3.45Å; N137-Q187 WeakPolarHBondContact O-CG 3.47Å; N137-I188 PolarHBondContact O-N 2.82Å; N137-Q189 HydrophobicContact CB-CG 4.13Å
138	E	97.6	Very high	96.7	Very high	81 Å²	81	39.1 Å²	39.1	38%	0.379	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-120.1	150.7	-175.1	-58.7	178.1	164.3	0	0	111.2	W134 N136 P186	W134-E138 PolarHBondContact NE1-O 2.91Å; N136-E138 VanDerWaalsContact C-N 3.26Å; E138-P186 CarbonylContact C-O 3.48Å; E138-P186 VanDerWaalsContact CA-O 3.31Å; E138-P186 WeakPolarHBondContact CA-O 3.18Å; E138-P186 HydrophobicContact CB-CB 4.28Å; E138-P186 HydrophobicContact CB-CG 4.12Å; E138-P186 HydrophobicContact CG-CG 4.07Å
139	V	98.4	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.			trans	-128.2	114.7	168.4	178.6	0	0	0	0	107.1	I109 L129 W134 F142 F179 P186 I188	I109-V139 HydrophobicContact CB-CG1 3.74Å; I109-V139 HydrophobicContact CD1-CG2 4.3Å; I109-V139 HydrophobicContact CG2-CG1 4.15Å; L129-V139 HydrophobicContact CD1-CG2 3.93Å; W134-V139 HydrophobicContact CZ2-CG2 4.24Å; V139-F142 HydrophobicContact CB-CE1 4.16Å; V139-F142 HydrophobicContact CB-CZ 3.82Å; V139-F142 HydrophobicContact CG1-CD1 4.02Å; V139-F142 HydrophobicContact CG1-CE1 3.44Å; V139-F142 VanDerWaalsContact CG1-CE1 3.44Å; V139-F142 HydrophobicContact CG1-CE2 4.08Å; V139-F142 HydrophobicContact CG1-CZ 3.46Å; V139-F142 VanDerWaalsContact CG1-CZ 3.46Å; V139-F179 WeakPolarHBondContact O-CE2 3.08Å; V139-F179 WeakPolarHBondContact O-CZ 3.26Å; V139-P186 PolarHBondContact N-O 3.4Å; V139-P186 WeakPolarHBondContact O-CB 3.39Å; V139-I188 HydrophobicContact CB-CB 4.16Å; V139-I188 HydrophobicContact CB-CG1 4.49Å; V139-I188 HydrophobicContact CG2-CB 4Å; V139-I188 HydrophobicContact CG2-CG2 4.28Å
140	G	97.8	Very high	96.7	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	22%	0.216	C	C	.	.			trans	-80	-28.7	-173.3	0	0	0	0	0	114.1	F110 E111 R112	F110-G140 PolarHBondContact O-N 3.43Å; E111-G140 PolarHBondContact O-N 3Å; R112-G140 CarbonylContact O-C 3.59Å
141	S	98.6	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	160.8	176.5	54	0	0	0	0	113.2	F110 R112 F115 Y173	F110-S141 WeakPolarHBondContact CB-OG 3.24Å; F110-S141 PolarHBondContact N-O 3.34Å; F110-S141 PolarHBondContact O-N 2.86Å; R112-S141 PolarHBondContact O-N 3.4Å; R112-S141 PolarHBondContact O-OG 2.76Å; F115-S141 VanDerWaalsContact CA-OG 3.31Å; F115-S141 WeakPolarHBondContact CA-OG 3.33Å; F115-S141 WeakPolarHBondContact CD1-OG 3.49Å; F115-S141 PolarHBondContact N-OG 3.36Å; S141-Y173 CarbonylContact C-O 3.51Å; S141-Y173 VanDerWaalsContact CA-O 3.26Å; S141-Y173 WeakPolarHBondContact CA-O 3.42Å; S141-Y173 WeakPolarHBondContact CB-O 3.32Å
142	F	98.6	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.6	-178.2	-57	-87.7	0	0	0	112.4	M107 T108 I109 F115 V139 M164 Y173 F179 I188 I191	M107-F142 HydrophobicContact CE-CD1 4.02Å; M107-F142 HydrophobicContact CG-CD1 4.33Å; M107-F142 HydrophobicContact SD-CD1 3.56Å; M107-F142 VanDerWaalsContact SD-CD1 3.56Å; M107-F142 HydrophobicContact SD-CE1 4.07Å; T108-F142 WeakPolarHBondContact O-CA 3.43Å; I109-F142 HydrophobicContact CB-CD1 4.49Å; I109-F142 HydrophobicContact CG2-CD1 3.71Å; I109-F142 HydrophobicContact CG2-CE1 3.69Å; F115-F142 VanDerWaalsContact CE1-O 3.27Å; F115-F142 WeakPolarHBondContact CE1-O 3.49Å; V139-F142 HydrophobicContact CB-CE1 4.16Å; V139-F142 HydrophobicContact CB-CZ 3.82Å; V139-F142 HydrophobicContact CG1-CD1 4.02Å; V139-F142 HydrophobicContact CG1-CE1 3.44Å; V139-F142 VanDerWaalsContact CG1-CE1 3.44Å; V139-F142 HydrophobicContact CG1-CE2 4.08Å; V139-F142 HydrophobicContact CG1-CZ 3.46Å; V139-F142 VanDerWaalsContact CG1-CZ 3.46Å; F142-M164 HydrophobicContact CD2-CE 3.8Å; F142-M164 HydrophobicContact CD2-CG 4.41Å; F142-M164 HydrophobicContact CD2-SD 3.88Å; F142-M164 HydrophobicContact CE2-CE 3.6Å; F142-M164 HydrophobicContact CE2-SD 4.29Å; F142-M164 HydrophobicContact CG-CG 4.43Å; F142-M164 HydrophobicContact CG-SD 4.34Å; F142-M164 HydrophobicContact CZ-CE 4.33Å; F142-Y173 HydrophobicContact CB-CD2 4.31Å; F142-Y173 PolarHBondContact N-O 3Å; F142-Y173 PolarHBondContact O-N 2.72Å; F142-F179 AromaticContact CD2-CD1 3.87Å; F142-F179 HydrophobicContact CD2-CD1 3.87Å; F142-F179 AromaticContact CD2-CE1 3.32Å; F142-F179 HydrophobicContact CD2-CE1 3.32Å; F142-F179 HydrophobicContact CD2-CE2 4.26Å; F142-F179 AromaticContact CD2-CZ 3.55Å; F142-F179 HydrophobicContact CD2-CZ 3.55Å; F142-F179 AromaticContact CE2-CD1 3.87Å; F142-F179 HydrophobicContact CE2-CD1 3.87Å; F142-F179 AromaticContact CE2-CD2 3.95Å; F142-F179 HydrophobicContact CE2-CD2 3.95Å; F142-F179 AromaticContact CE2-CE1 3.42Å; F142-F179 HydrophobicContact CE2-CE1 3.42Å; F142-F179 VanDerWaalsContact CE2-CE1 3.42Å; F142-F179 AromaticContact CE2-CE2 3.48Å; F142-F179 HydrophobicContact CE2-CE2 3.48Å; F142-F179 VanDerWaalsContact CE2-CE2 3.48Å; F142-F179 HydrophobicContact CE2-CG 4.16Å; F142-F179 AromaticContact CE2-CZ 3.2Å; F142-F179 HydrophobicContact CE2-CZ 3.2Å; F142-F179 HydrophobicContact CZ-CE2 4.37Å; F142-F179 HydrophobicContact CZ-CZ 4.32Å; F142-I188 HydrophobicContact CZ-CG1 4.16Å; F142-I188 HydrophobicContact CZ-CG2 4.43Å; F142-I191 HydrophobicContact CE1-CD1 4.01Å
143	R	98.6	Very high	96.7	Very high	93 Å²	93	28.8 Å²	28.8	35%	0.351	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.9	160.8	-77.5	-178.8	163	157.8	-5.4	109.7	M107 T108 F110 F115 Q145 G171 E172	M107-R143 CarbonylContact C-O 3.56Å; M107-R143 VanDerWaalsContact CA-O 3.28Å; M107-R143 WeakPolarHBondContact CA-O 3.36Å; T108-R143 PolarHBondContact N-O 2.98Å; T108-R143 PolarHBondContact O-N 2.96Å; F110-R143 HydrophobicContact CE2-CB 4.2Å; F110-R143 HydrophobicContact CE2-CG 4Å; F115-R143 HydrophobicContact CD1-CG 3.9Å; F115-R143 HydrophobicContact CE1-CG 3.64Å; F115-R143 HydrophobicContact CE2-CG 4.39Å; F115-R143 HydrophobicContact CG-CG 4.42Å; F115-R143 HydrophobicContact CZ-CG 3.88Å; R143-Q145 PolarHBondContact O-OE1 3.33Å; R143-Q145 VanDerWaalsContact O-OE1 3.12Å; R143-G171 CarbonylContact C-O 3.57Å; R143-G171 VanDerWaalsContact CA-O 3.24Å; R143-G171 WeakPolarHBondContact CA-O 3.39Å; R143-E172 IonicContact CZ-OE1 3.61Å; R143-E172 IonicContact NE-OE1 3.56Å; R143-E172 PolarHBondContact NE-OE1 2.8Å; R143-E172 VanDerWaalsContact NE-OE1 3.15Å; R143-E172 IonicContact NH2-OE1 2.8Å; R143-E172 PolarHBondContact NH2-OE1 2.98Å
144	V	98.3	Very high	96.7	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103	175.8	-164.9	0	0	0	0	108.3	M107 F149 M164 C166 G171 Y173	M107-V144 HydrophobicContact CE-CG2 3.67Å; V144-F149 HydrophobicContact CG1-CD2 3.98Å; V144-F149 HydrophobicContact CG1-CE2 4.07Å; V144-M164 HydrophobicContact CG2-CB 3.68Å; V144-C166 HydrophobicContact CB-CB 4.23Å; V144-C166 HydrophobicContact CG1-CB 3.86Å; V144-C166 WeakPolarHBondContact O-CB 3.39Å; V144-G171 PolarHBondContact N-O 2.88Å; V144-Y173 HydrophobicContact CG2-CD2 4.32Å; V144-Y173 HydrophobicContact CG2-CE2 4Å
145	Q	97.5	Very high	96.6	Very high	86 Å²	86	32.6 Å²	32.6	40%	0.402	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-33.6	-180	-61.4	94.5	-21.6	0	0	112.2	R106 T108 R143	R106-Q145 HydrophobicContact CB-CB 4.26Å; R106-Q145 HydrophobicContact CG-CB 4.46Å; R106-Q145 PolarHBondContact O-N 2.82Å; R106-Q145 PolarHBondContact O-OE1 3.29Å; T108-Q145 PolarHBondContact OG1-NE2 3.03Å; R143-Q145 PolarHBondContact O-OE1 3.33Å; R143-Q145 VanDerWaalsContact O-OE1 3.12Å
146	S	96.7	Very high	96.8	Very high	19 Å²	19	29.2 Å²	29.2	13%	0.133	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	152.5	178	70.4	0	0	0	0	111.3	E104 C105 R106	E104-S146 CarbonylContact O-C 3.54Å; E104-S146 WeakPolarHBondContact O-CB 3.22Å; E104-S146 PolarHBondContact O-OG 3.27Å; C105-S146 WeakPolarHBondContact CA-O 3.04Å; R106-S146 PolarHBondContact N-O 3.26Å; R106-S146 PolarHBondContact N-OG 3Å; R106-S146 PolarHBondContact O-N 2.88Å
147	G	95.9	Very high	97	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	77.9	-165.6	178.5	0	0	0	0	0	113.1	C99 E104 C166	C99-G147 CarbonylContact O-C 3.45Å; C99-G147 VanDerWaalsContact O-CA 3.23Å; C99-G147 WeakPolarHBondContact O-CA 3.46Å; E104-G147 PolarHBondContact O-N 3Å; G147-C166 PolarHBondContact O-N 2.82Å
148	A	97.4	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149	173.7	0	0	0	0	0	110.1	I97 M164 E165 I194	I97-A148 HydrophobicContact CG2-CB 3.57Å; A148-M164 CarbonylContact C-O 3.59Å; A148-M164 VanDerWaalsContact CA-O 3.29Å; A148-M164 WeakPolarHBondContact CA-O 3.43Å; A148-E165 HydrophobicContact CB-CG 4.15Å; A148-I194 HydrophobicContact CB-CB 4.28Å; A148-I194 HydrophobicContact CB-CD1 3.83Å; A148-I194 HydrophobicContact CB-CG1 4.5Å; A148-I194 PolarHBondContact O-N 3.48Å
149	F	98.2	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.2	-178.4	-64.8	-100.8	0	0	0	110	C105 M107 V144 M164 I191 R192 R193	C105-F149 HydrophobicContact CB-CE1 4.1Å; C105-F149 HydrophobicContact CB-CE2 3.88Å; C105-F149 HydrophobicContact CB-CZ 3.5Å; C105-F149 VanDerWaalsContact CB-CZ 3.5Å; M107-F149 HydrophobicContact CB-CD2 4Å; M107-F149 HydrophobicContact CB-CE1 4.26Å; M107-F149 HydrophobicContact CB-CE2 3.54Å; M107-F149 HydrophobicContact CB-CZ 3.65Å; M107-F149 HydrophobicContact CE-CB 3.58Å; M107-F149 HydrophobicContact CE-CD1 4.48Å; M107-F149 HydrophobicContact CE-CD2 3.62Å; M107-F149 HydrophobicContact CE-CE2 4.39Å; M107-F149 HydrophobicContact CE-CG 3.66Å; M107-F149 HydrophobicContact SD-CD2 4.46Å; M107-F149 HydrophobicContact SD-CG 4.33Å; V144-F149 HydrophobicContact CG1-CD2 3.98Å; V144-F149 HydrophobicContact CG1-CE2 4.07Å; F149-M164 PolarHBondContact N-O 2.9Å; F149-M164 PolarHBondContact O-N 3.07Å; F149-I191 HydrophobicContact CB-CG2 4.17Å; F149-I191 HydrophobicContact CD1-CG2 3.83Å; F149-I191 HydrophobicContact CG-CG2 4.39Å; F149-R192 WeakPolarHBondContact CA-O 3.37Å; F149-R193 HydrophobicContact CD1-CG 4.07Å; F149-R193 HydrophobicContact CE1-CG 3.69Å; F149-R193 HydrophobicContact CZ-CG 4.38Å
150	V	97.5	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.8	165.3	53.3	0	0	0	0	108.7	I68 Y152 Q161 I163 I191 R192 I194	I68-V150 HydrophobicContact CB-CB 4.5Å; I68-V150 HydrophobicContact CB-CG2 4.37Å; I68-V150 HydrophobicContact CG2-CG1 4.49Å; I68-V150 HydrophobicContact CG2-CG2 4.34Å; V150-Y152 HydrophobicContact CB-CE2 4.13Å; V150-Y152 HydrophobicContact CG1-CE2 3.6Å; V150-Y152 HydrophobicContact CG2-CD2 4.22Å; V150-Y152 HydrophobicContact CG2-CE1 4.08Å; V150-Y152 HydrophobicContact CG2-CE2 3.61Å; V150-Q161 HydrophobicContact CG2-CB 3.99Å; V150-I163 HydrophobicContact CB-CD1 3.74Å; V150-I163 HydrophobicContact CG2-CD1 3.75Å; V150-I191 WeakPolarHBondContact O-CA 3.47Å; V150-R192 HydrophobicContact CG1-CG 3.43Å; V150-R192 VanDerWaalsContact CG1-CG 3.43Å; V150-R192 PolarHBondContact N-O 3.38Å; V150-R192 PolarHBondContact O-N 3.4Å; V150-I194 HydrophobicContact CB-CD1 4.38Å; V150-I194 HydrophobicContact CB-CG1 4.27Å; V150-I194 HydrophobicContact CG1-CG1 4.16Å
151	C	97.6	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.6	179	-59.4	0	0	0	0	109.4	Q161 Y162 I188 I191	C151-Q161 CarbonylContact O-C 3.58Å; C151-Q161 WeakPolarHBondContact O-CA 3.36Å; C151-Y162 PolarHBondContact N-O 3.42Å; C151-Y162 PolarHBondContact O-N 2.91Å; C151-I188 HydrophobicContact CB-CD1 3.93Å; C151-I188 HydrophobicContact CB-CG2 3.86Å; C151-I191 HydrophobicContact CB-CG1 4.25Å
152	Y	96.3	Very high	96	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.02	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143	-175	-62.9	-94.3	0	0	0	112	V150 Y154 Y157 Y160 Q161 I188 Q189 S190 R192	V150-Y152 HydrophobicContact CB-CE2 4.13Å; V150-Y152 HydrophobicContact CG1-CE2 3.6Å; V150-Y152 HydrophobicContact CG2-CD2 4.22Å; V150-Y152 HydrophobicContact CG2-CE1 4.08Å; V150-Y152 HydrophobicContact CG2-CE2 3.61Å; Y152-Y154 VanDerWaalsContact C-N 3.31Å; Y152-Y154 PolarHBondContact O-N 2.95Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.39Å; Y152-Y157 AromaticContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CG 4.26Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.39Å; Y152-Y157 AromaticContact CE2-CD1 3.74Å; Y152-Y157 HydrophobicContact CE2-CD1 3.74Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y152-Y160 WeakPolarHBondContact CA-O 3.22Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.85Å; Y152-Q161 HydrophobicContact CE1-CB 4.35Å; Y152-Q161 HydrophobicContact CE1-CG 3.6Å; Y152-I188 WeakPolarHBondContact O-CA 3.5Å; Y152-Q189 PolarHBondContact O-N 2.87Å; Y152-S190 WeakPolarHBondContact CB-OG 3.48Å; Y152-S190 PolarHBondContact N-O 2.91Å; Y152-S190 PolarHBondContact O-N 3.34Å; Y152-R192 HydrophobicContact CE2-CG 4.06Å; Y152-R192 PolarHBondContact OH-NE 3.43Å; Y152-R192 VanDerWaalsContact OH-NE 3.08Å
153	Q	95.4	Very high	96	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.084	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-37.6	179.9	-172.7	-176.9	15.6	0	0	113.6	R158 Y160 Q187 Q189	Q153-R158 PolarHBondContact N-O 3.41Å; Q153-Y160 PolarHBondContact N-O 2.7Å; Q153-Q187 HydrophobicContact CG-CB 4.3Å; Q153-Q187 HydrophobicContact CG-CG 3.93Å; Q153-Q189 WeakPolarHBondContact O-CB 3.31Å; Q153-Q189 VanDerWaalsContact O-CG 3.31Å; Q153-Q189 WeakPolarHBondContact O-CG 3.5Å; Q153-Q189 PolarHBondContact O-NE2 2.9Å
154	Y	95.3	Very high	96	Very high	84 Å²	84	26.4 Å²	26.4	33%	0.329	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	160.3	-175.9	-60.5	-61.7	0	0	0	112.4	Y152 R158 S190	Y152-Y154 VanDerWaalsContact C-N 3.31Å; Y152-Y154 PolarHBondContact O-N 2.95Å; Y154-R158 PolarHBondContact N-O 3.25Å; Y154-S190 PolarHBondContact O-OG 3.47Å
155	P	95.8	Very high	95.9	Very high	38 Å²	38	26.2 Å²	26.2	25%	0.247	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	151.7	170.9	-22.3	33.9	0	0	0	112.1	P127 R158 Q189	P127-P155 CarbonylContact O-C 3.57Å; P127-P155 VanDerWaalsContact O-CA 3.32Å; P127-P155 WeakPolarHBondContact O-CA 3.31Å; P155-R158 PolarHBondContact O-NE 2.92Å; P155-R158 PolarHBondContact O-NH2 3.36Å; P155-Q189 HydrophobicContact CG-CB 3.97Å
156	G	95.1	Very high	95.9	Very high	39 Å²	39	23.8 Å²	23.8	40%	0.402	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	27.5	179.6	0	0	0	0	0	113.8	P127 R158	P127-G156 PolarHBondContact O-N 3.38Å; G156-R158 VanDerWaalsContact O-CG 3.3Å; G156-R158 WeakPolarHBondContact O-CG 3.27Å
157	Y	94.3	Very high	95.8	Very high	60 Å²	60	27 Å²	27	24%	0.235	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	47.5	176.7	-43.1	-52.9	0	0	0	113.8	P127 Y152 S190 R192	P127-Y157 HydrophobicContact CB-CE1 4.33Å; P127-Y157 HydrophobicContact CB-CE2 4.13Å; P127-Y157 WeakPolarHBondContact CD-OH 3.3Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.39Å; Y152-Y157 AromaticContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CD1 3.74Å; Y152-Y157 HydrophobicContact CD2-CG 4.26Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.39Å; Y152-Y157 AromaticContact CE2-CD1 3.74Å; Y152-Y157 HydrophobicContact CE2-CD1 3.74Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y157-S190 WeakPolarHBondContact CA-OG 3.49Å; Y157-S190 PolarHBondContact N-OG 2.89Å; Y157-R192 HydrophobicContact CD1-CB 4.35Å; Y157-R192 HydrophobicContact CD1-CG 4.29Å; Y157-R192 HydrophobicContact CE1-CB 3.77Å; Y157-R192 HydrophobicContact CE1-CG 4.2Å
158	R	92.4	Very high	95.7	Very high	114 Å²	114	31.2 Å²	31.2	43%	0.43	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.8	-174.3	-45.7	-175.9	-76.6	143.1	0.2	112.5	S83 Q153 Y154 P155 G156	S83-R158 VanDerWaalsContact CB-CG 3.4Å; S83-R158 WeakPolarHBondContact OG-CD 3.21Å; S83-R158 WeakPolarHBondContact OG-CG 3.45Å; Q153-R158 PolarHBondContact N-O 3.41Å; Y154-R158 PolarHBondContact N-O 3.25Å; P155-R158 PolarHBondContact O-NE 2.92Å; P155-R158 PolarHBondContact O-NH2 3.36Å; G156-R158 VanDerWaalsContact O-CG 3.3Å; G156-R158 WeakPolarHBondContact O-CG 3.27Å
159	G	91.9	Very high	95.3	Very high	5 Å²	5	35.7 Å²	35.7	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.1	-159.8	-178.2	0	0	0	0	0	112.1
160	Y	93	Very high	95.1	Very high	65 Å²	65	41.3 Å²	41.3	26%	0.255	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	139.7	176.1	-63.9	-62.4	0	0	0	111.7	Q65 Y86 Y152 Q153 Y162 H182	Q65-Y160 HydrophobicContact CG-CD1 4.23Å; Y86-Y160 AromaticContact CD2-CD1 3.95Å; Y86-Y160 HydrophobicContact CD2-CD1 3.95Å; Y86-Y160 AromaticContact CD2-CE1 3.12Å; Y86-Y160 HydrophobicContact CD2-CE1 3.12Å; Y86-Y160 AromaticContact CD2-CZ 3.75Å; Y86-Y160 HydrophobicContact CE2-CD1 4.4Å; Y86-Y160 AromaticContact CE2-CE1 3.38Å; Y86-Y160 HydrophobicContact CE2-CE1 3.38Å; Y86-Y160 HydrophobicContact CG-CD1 4.24Å; Y86-Y160 AromaticContact CG-CE1 3.85Å; Y86-Y160 HydrophobicContact CG-CE1 3.85Å; Y152-Y160 WeakPolarHBondContact CA-O 3.22Å; Q153-Y160 PolarHBondContact N-O 2.7Å; Y160-Y162 VanDerWaalsContact CB-OH 3.28Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.35Å; Y160-H182 AromaticContact CE1-CD2 3.86Å; Y160-H182 AromaticContact CE1-NE2 3.87Å
161	Q	94.7	Very high	95.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142	176.7	-42.7	-176.9	13.9	0	0	110	Q65 I68 F80 G81 V150 C151 Y152	Q65-Q161 PolarHBondContact NE2-O 3.47Å; I68-Q161 VanDerWaalsContact CG2-OE1 3.29Å; F80-Q161 PolarHBondContact O-NE2 3.2Å; G81-Q161 VanDerWaalsContact C-NE2 3.28Å; G81-Q161 PolarHBondContact O-NE2 2.91Å; V150-Q161 HydrophobicContact CG2-CB 3.99Å; C151-Q161 CarbonylContact O-C 3.58Å; C151-Q161 WeakPolarHBondContact O-CA 3.36Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.85Å; Y152-Q161 HydrophobicContact CE1-CB 4.35Å; Y152-Q161 HydrophobicContact CE1-CG 3.6Å
162	Y	96.6	Very high	95.1	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.4	175.2	-52.4	-76.2	0	0	0	109.7	C151 Y160 F179 C183 I188	C151-Y162 PolarHBondContact N-O 3.42Å; C151-Y162 PolarHBondContact O-N 2.91Å; Y160-Y162 VanDerWaalsContact CB-OH 3.28Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.35Å; Y162-F179 HydrophobicContact CD1-CB 4.1Å; Y162-F179 HydrophobicContact CG-CB 4.15Å; Y162-C183 HydrophobicContact CD1-CB 4.23Å; Y162-C183 HydrophobicContact CE1-CB 3.61Å; Y162-I188 HydrophobicContact CD2-CD1 3.53Å; Y162-I188 HydrophobicContact CE2-CD1 3.87Å
163	I	97.5	Very high	95.2	Very high	3 Å²	3	44 Å²	44	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123	-176	-53.2	-54	0	0	0	109.7	V55 Q66 I68 I97 V150 E165 I194	V55-I163 HydrophobicContact CB-CG1 4.11Å; V55-I163 HydrophobicContact CG2-CG1 3.66Å; Q66-I163 HydrophobicContact CB-CG1 4.42Å; Q66-I163 VanDerWaalsContact OE1-N 3.09Å; I68-I163 HydrophobicContact CB-CD1 4.05Å; I68-I163 HydrophobicContact CD1-CD1 4.11Å; I68-I163 HydrophobicContact CG1-CD1 4.47Å; I97-I163 HydrophobicContact CD1-CG2 4Å; V150-I163 HydrophobicContact CB-CD1 3.74Å; V150-I163 HydrophobicContact CG2-CD1 3.75Å; I163-E165 HydrophobicContact CG2-CG 4.01Å; I163-I194 HydrophobicContact CD1-CD1 4.15Å; I163-I194 HydrophobicContact CG2-CD1 3.89Å
164	M	97.9	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.9	178.7	-54.5	-62.8	164.9	0	0	109.1	M107 F142 V144 A148 F149 Y173 F179	M107-M164 HydrophobicContact CE-CB 3.43Å; M107-M164 VanDerWaalsContact CE-CB 3.43Å; M107-M164 HydrophobicContact CE-CG 3.83Å; F142-M164 HydrophobicContact CD2-CE 3.8Å; F142-M164 HydrophobicContact CD2-CG 4.41Å; F142-M164 HydrophobicContact CD2-SD 3.88Å; F142-M164 HydrophobicContact CE2-CE 3.6Å; F142-M164 HydrophobicContact CE2-SD 4.29Å; F142-M164 HydrophobicContact CG-CG 4.43Å; F142-M164 HydrophobicContact CG-SD 4.34Å; F142-M164 HydrophobicContact CZ-CE 4.33Å; V144-M164 HydrophobicContact CG2-CB 3.68Å; A148-M164 CarbonylContact C-O 3.59Å; A148-M164 VanDerWaalsContact CA-O 3.29Å; A148-M164 WeakPolarHBondContact CA-O 3.43Å; F149-M164 PolarHBondContact N-O 2.9Å; F149-M164 PolarHBondContact O-N 3.07Å; M164-Y173 HydrophobicContact CB-CE2 4.22Å; M164-Y173 HydrophobicContact SD-CD1 3.64Å; M164-Y173 HydrophobicContact SD-CD2 3.95Å; M164-Y173 HydrophobicContact SD-CE1 3.68Å; M164-Y173 HydrophobicContact SD-CE2 4.01Å; M164-Y173 HydrophobicContact SD-CG 3.76Å; M164-F179 HydrophobicContact CE-CB 3.58Å; M164-F179 HydrophobicContact CE-CD1 3.69Å; M164-F179 HydrophobicContact CE-CD2 4.22Å; M164-F179 HydrophobicContact CE-CE1 4.5Å; M164-F179 HydrophobicContact CE-CG 3.56Å; M164-F179 HydrophobicContact SD-CD1 4.4Å
165	E	97.4	Very high	95.5	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.1	-171.7	-74.8	170.5	-73.3	0	0	110.5	R95 I97 C99 A148 I163 D167 R168 Y173	R95-E165 IonicContact CZ-OE1 3.45Å; R95-E165 VanDerWaalsContact CZ-OE1 3.28Å; R95-E165 IonicContact CZ-OE2 2.75Å; R95-E165 VanDerWaalsContact NH1-CD 3.33Å; R95-E165 IonicContact NH1-OE1 3.86Å; R95-E165 PolarHBondContact NH1-OE1 2.94Å; R95-E165 VanDerWaalsContact NH1-OE1 3.09Å; R95-E165 IonicContact NH1-OE2 3.64Å; R95-E165 PolarHBondContact NH1-OE2 3.24Å; R95-E165 IonicContact NH2-OE1 2.99Å; R95-E165 PolarHBondContact NH2-OE1 3.13Å; R95-E165 IonicContact NH2-OE2 3.36Å; I97-E165 HydrophobicContact CG2-CG 3.97Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.35Å; C99-E165 VanDerWaalsContact SG-CB 3.54Å; A148-E165 HydrophobicContact CB-CG 4.15Å; I163-E165 HydrophobicContact CG2-CG 4.01Å; E165-D167 VanDerWaalsContact C-N 3.32Å; E165-D167 WeakPolarHBondContact CB-OD1 3.38Å; E165-R168 HydrophobicContact CB-CB 3.85Å; E165-Y173 PolarHBondContact N-OH 3.1Å
166	C	97.1	Very high	95.4	Very high	35 Å²	35	45.8 Å²	45.8	24%	0.236	23%	0.229	C	C	.	.	S	Bend	trans	-73.9	-22.6	177.9	70.1	0	0	0	0	113.7	C99 V144 G147 C170 G171	C99-C166 WeakPolarHBondContact CB-SG 3.31Å; V144-C166 HydrophobicContact CB-CB 4.23Å; V144-C166 HydrophobicContact CG1-CB 3.86Å; V144-C166 WeakPolarHBondContact O-CB 3.39Å; G147-C166 PolarHBondContact O-N 2.82Å; C166-C170 CarbonylContact O-C 3.57Å; C166-G171 PolarHBondContact O-N 3.26Å
167	D	95.1	Very high	95.4	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	25%	0.245	S	C	.	.	S	Bend	trans	-93.6	-14.7	179.9	58.7	-0.2	0	0	0	113.5	C99 E165	C99-D167 HydrophobicContact CB-CB 4.39Å; C99-D167 PolarHBondContact SG-OD1 2.97Å; E165-D167 VanDerWaalsContact C-N 3.32Å; E165-D167 WeakPolarHBondContact CB-OD1 3.38Å
168	R	92.7	Very high	95.5	Very high	93 Å²	93	53.4 Å²	53.4	35%	0.351	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-93.5	138.6	174.3	-155.3	-178.7	178.5	106.8	-1	110.6	R95 E165 C170 G171	R95-R168 VanDerWaalsContact CZ-NH1 3.32Å; E165-R168 HydrophobicContact CB-CB 3.85Å; R168-C170 PolarHBondContact O-N 3.19Å; R168-G171 PolarHBondContact O-N 3.16Å
169	H	90.3	Very high	95.6	Very high	94 Å²	94	48.1 Å²	48.1	44%	0.435	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	52.7	24.9	-174.3	-55.5	-79.1	0	0	0	113.9	G171 E172 Y173	H169-G171 PolarHBondContact O-N 3.09Å; H169-E172 VanDerWaalsContact CB-O 3.26Å; H169-E172 WeakPolarHBondContact CB-O 3.48Å; H169-E172 PolarHBondContact O-N 3.46Å; H169-Y173 AromaticContact CD2-CE1 3.66Å
170	C	93.9	Very high	95.7	Very high	118 Å²	118	48.5 Å²	48.5	80%	0.797	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	54.8	31.1	-170.1	-53.5	0	0	0	0	113.3	C166 R168 E172	C166-C170 CarbonylContact O-C 3.57Å; R168-C170 PolarHBondContact O-N 3.19Å; C170-E172 PolarHBondContact O-N 2.88Å
171	G	97.3	Very high	95.7	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	71.6	5.1	-175.1	0	0	0	0	0	114.2	R143 V144 C166 R168 H169	R143-G171 CarbonylContact C-O 3.57Å; R143-G171 VanDerWaalsContact CA-O 3.24Å; R143-G171 WeakPolarHBondContact CA-O 3.39Å; V144-G171 PolarHBondContact N-O 2.88Å; C166-G171 PolarHBondContact O-N 3.26Å; R168-G171 PolarHBondContact O-N 3.16Å; H169-G171 PolarHBondContact O-N 3.09Å
172	E	98.3	Very high	95.5	Very high	57 Å²	57	50.7 Å²	50.7	27%	0.266	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113	-176.3	-71.8	-151.9	143.1	0	0	111.4	F115 R143 H169 C170 K174	F115-E172 HydrophobicContact CE2-CB 4.5Å; F115-E172 HydrophobicContact CE2-CG 4.32Å; F115-E172 WeakPolarHBondContact CE2-OE1 3.28Å; F115-E172 HydrophobicContact CZ-CB 3.82Å; F115-E172 HydrophobicContact CZ-CG 3.98Å; R143-E172 IonicContact CZ-OE1 3.61Å; R143-E172 IonicContact NE-OE1 3.56Å; R143-E172 PolarHBondContact NE-OE1 2.8Å; R143-E172 VanDerWaalsContact NE-OE1 3.15Å; R143-E172 IonicContact NH2-OE1 2.8Å; R143-E172 PolarHBondContact NH2-OE1 2.98Å; H169-E172 VanDerWaalsContact CB-O 3.26Å; H169-E172 WeakPolarHBondContact CB-O 3.48Å; H169-E172 PolarHBondContact O-N 3.46Å; C170-E172 PolarHBondContact O-N 2.88Å; E172-K174 WeakPolarHBondContact OE2-CE 3.2Å; E172-K174 IonicContact OE2-NZ 3.89Å; E172-K174 PolarHBondContact OE2-NZ 3.33Å
173	Y	98.4	Very high	95.3	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	95.2	175	-61.1	-101.3	0	0	0	108.8	S141 F142 V144 M164 E165 H169 E178	S141-Y173 CarbonylContact C-O 3.51Å; S141-Y173 VanDerWaalsContact CA-O 3.26Å; S141-Y173 WeakPolarHBondContact CA-O 3.42Å; S141-Y173 WeakPolarHBondContact CB-O 3.32Å; F142-Y173 HydrophobicContact CB-CD2 4.31Å; F142-Y173 PolarHBondContact N-O 3Å; F142-Y173 PolarHBondContact O-N 2.72Å; V144-Y173 HydrophobicContact CG2-CD2 4.32Å; V144-Y173 HydrophobicContact CG2-CE2 4Å; M164-Y173 HydrophobicContact CB-CE2 4.22Å; M164-Y173 HydrophobicContact SD-CD1 3.64Å; M164-Y173 HydrophobicContact SD-CD2 3.95Å; M164-Y173 HydrophobicContact SD-CE1 3.68Å; M164-Y173 HydrophobicContact SD-CE2 4.01Å; M164-Y173 HydrophobicContact SD-CG 3.76Å; E165-Y173 PolarHBondContact N-OH 3.1Å; H169-Y173 AromaticContact CD2-CE1 3.66Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.31Å; Y173-E178 HydrophobicContact CD1-CB 4.26Å; Y173-E178 WeakPolarHBondContact CD1-O 3.24Å
174	K	98.2	Very high	95.1	Very high	74 Å²	74	57.6 Å²	57.6	32%	0.322	28%	0.284	S	S	.	.			trans	-83.1	-27.1	-169.8	-74.5	170.5	179.6	149.4	0	113.3	E113 N114 F115 E172 E178	E113-K174 CarbonylContact C-O 3.6Å; E113-K174 VanDerWaalsContact CA-O 3.26Å; E113-K174 WeakPolarHBondContact CA-O 3.13Å; E113-K174 VanDerWaalsContact CB-O 3.26Å; E113-K174 WeakPolarHBondContact CB-O 3.22Å; N114-K174 PolarHBondContact N-O 3.38Å; F115-K174 HydrophobicContact CD2-CG 4.46Å; F115-K174 HydrophobicContact CE1-CG 4.03Å; F115-K174 HydrophobicContact CE2-CD 4.16Å; F115-K174 HydrophobicContact CE2-CG 3.62Å; F115-K174 HydrophobicContact CZ-CB 4.48Å; F115-K174 HydrophobicContact CZ-CD 4.27Å; F115-K174 HydrophobicContact CZ-CG 3.36Å; E172-K174 WeakPolarHBondContact OE2-CE 3.2Å; E172-K174 IonicContact OE2-NZ 3.89Å; E172-K174 PolarHBondContact OE2-NZ 3.33Å; K174-E178 PolarHBondContact N-OE2 3.12Å
175	H	97.1	Very high	94.9	Very high	62 Å²	62	59.5 Å²	59.5	29%	0.287	30%	0.295	S	S	.	.	S	Bend	trans	-132.1	149.1	-174.9	-59.7	-77.8	0	0	0	110.8	E113 R177 E178 F179	E113-H175 VanDerWaalsContact CD-ND1 3.25Å; E113-H175 WeakPolarHBondContact OE1-CA 3.38Å; E113-H175 IonicContact OE1-CG 2.92Å; E113-H175 IonicContact OE1-ND1 3.69Å; E113-H175 IonicContact OE2-CE1 3.72Å; E113-H175 IonicContact OE2-CG 3.82Å; E113-H175 IonicContact OE2-ND1 2.92Å; E113-H175 PolarHBondContact OE2-ND1 3.38Å; H175-R177 PolarHBondContact O-N 3.5Å; H175-R177 VanDerWaalsContact O-N 3.1Å; H175-E178 HydrophobicContact CB-CG 4.35Å; H175-E178 IonicContact CD2-OE1 3.71Å; H175-E178 PolarHBondContact CD2-OE1 3.27Å; H175-E178 WeakPolarHBondContact O-CB 3.19Å; H175-E178 PolarHBondContact O-N 3.08Å; H175-F179 WeakPolarHBondContact O-CE1 3.13Å
176	F	94.7	Very high	94.9	Very high	41 Å²	41	60.4 Å²	60.4	18%	0.18	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.9	-24.1	-179.5	73.2	-93.5	0	0	0	113.2	E113 E178 F179 C183 P186	E113-F176 WeakPolarHBondContact OE1-CD1 3.36Å; E113-F176 PolarHBondContact OE1-N 3.49Å; F176-E178 PolarHBondContact O-N 3.24Å; F176-F179 HydrophobicContact CB-CD2 3.9Å; F176-F179 HydrophobicContact CB-CE2 3.62Å; F176-F179 HydrophobicContact CB-CG 4.48Å; F176-F179 HydrophobicContact CB-CZ 3.97Å; F176-F179 VanDerWaalsContact O-CB 3.22Å; F176-F179 WeakPolarHBondContact O-CB 3.46Å; F176-F179 VanDerWaalsContact O-CG 3.24Å; F176-F179 WeakPolarHBondContact O-CG 3.34Å; F176-F179 PolarHBondContact O-N 2.98Å; F176-F179 VanDerWaalsContact O-N 3.08Å; F176-C183 WeakPolarHBondContact O-CB 3.26Å; F176-C183 PolarHBondContact O-SG 2.77Å; F176-P186 HydrophobicContact CB-CB 3.94Å; F176-P186 HydrophobicContact CG-CB 4.43Å
177	R	94.6	Very high	94.9	Very high	195 Å²	195	60.8 Å²	60.8	74%	0.736	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-66	-19	174.4	-63.5	179.7	-177.5	151.8	0.6	113.1	H175 F179	H175-R177 PolarHBondContact O-N 3.5Å; H175-R177 VanDerWaalsContact O-N 3.1Å; R177-F179 VanDerWaalsContact C-N 3.34Å
178	E	95.6	Very high	95.1	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-84.4	-12.1	175.7	-60.4	173.1	-174.7	0	0	111.9	Y173 K174 H175 F176 G180	Y173-E178 WeakPolarHBondContact CA-OE2 3.31Å; Y173-E178 HydrophobicContact CD1-CB 4.26Å; Y173-E178 WeakPolarHBondContact CD1-O 3.24Å; K174-E178 PolarHBondContact N-OE2 3.12Å; H175-E178 HydrophobicContact CB-CG 4.35Å; H175-E178 IonicContact CD2-OE1 3.71Å; H175-E178 PolarHBondContact CD2-OE1 3.27Å; H175-E178 WeakPolarHBondContact O-CB 3.19Å; H175-E178 PolarHBondContact O-N 3.08Å; F176-E178 PolarHBondContact O-N 3.24Å; E178-G180 PolarHBondContact O-N 2.92Å
179	F	95.8	Very high	95.3	Very high	3 Å²	3	53 Å²	53	1%	0.013	27%	0.265	C	S	.	.	S	Bend	trans	-68.3	-26	178.8	-58.3	-5.2	0	0	0	111.7	Q66 V139 F142 Y162 M164 H175 F176 R177 C183	Q66-F179 PolarHBondContact NE2-O 3.28Å; V139-F179 WeakPolarHBondContact O-CE2 3.08Å; V139-F179 WeakPolarHBondContact O-CZ 3.26Å; F142-F179 AromaticContact CD2-CD1 3.87Å; F142-F179 HydrophobicContact CD2-CD1 3.87Å; F142-F179 AromaticContact CD2-CE1 3.32Å; F142-F179 HydrophobicContact CD2-CE1 3.32Å; F142-F179 HydrophobicContact CD2-CE2 4.26Å; F142-F179 AromaticContact CD2-CZ 3.55Å; F142-F179 HydrophobicContact CD2-CZ 3.55Å; F142-F179 AromaticContact CE2-CD1 3.87Å; F142-F179 HydrophobicContact CE2-CD1 3.87Å; F142-F179 AromaticContact CE2-CD2 3.95Å; F142-F179 HydrophobicContact CE2-CD2 3.95Å; F142-F179 AromaticContact CE2-CE1 3.42Å; F142-F179 HydrophobicContact CE2-CE1 3.42Å; F142-F179 VanDerWaalsContact CE2-CE1 3.42Å; F142-F179 AromaticContact CE2-CE2 3.48Å; F142-F179 HydrophobicContact CE2-CE2 3.48Å; F142-F179 VanDerWaalsContact CE2-CE2 3.48Å; F142-F179 HydrophobicContact CE2-CG 4.16Å; F142-F179 AromaticContact CE2-CZ 3.2Å; F142-F179 HydrophobicContact CE2-CZ 3.2Å; F142-F179 HydrophobicContact CZ-CE2 4.37Å; F142-F179 HydrophobicContact CZ-CZ 4.32Å; Y162-F179 HydrophobicContact CD1-CB 4.1Å; Y162-F179 HydrophobicContact CG-CB 4.15Å; M164-F179 HydrophobicContact CE-CB 3.58Å; M164-F179 HydrophobicContact CE-CD1 3.69Å; M164-F179 HydrophobicContact CE-CD2 4.22Å; M164-F179 HydrophobicContact CE-CE1 4.5Å; M164-F179 HydrophobicContact CE-CG 3.56Å; M164-F179 HydrophobicContact SD-CD1 4.4Å; H175-F179 WeakPolarHBondContact O-CE1 3.13Å; F176-F179 HydrophobicContact CB-CD2 3.9Å; F176-F179 HydrophobicContact CB-CE2 3.62Å; F176-F179 HydrophobicContact CB-CG 4.48Å; F176-F179 HydrophobicContact CB-CZ 3.97Å; F176-F179 VanDerWaalsContact O-CB 3.22Å; F176-F179 WeakPolarHBondContact O-CB 3.46Å; F176-F179 VanDerWaalsContact O-CG 3.24Å; F176-F179 WeakPolarHBondContact O-CG 3.34Å; F176-F179 PolarHBondContact O-N 2.98Å; F176-F179 VanDerWaalsContact O-N 3.08Å; R177-F179 VanDerWaalsContact C-N 3.34Å; F179-C183 HydrophobicContact CB-CB 4.2Å
180	G	93.9	Very high	95.7	Very high	13 Å²	13	48.6 Å²	48.6	13%	0.134	24%	0.244	C	C	.	.			trans	166.8	155.1	177.7	0	0	0	0	0	111.1	E178 H182 C183	E178-G180 PolarHBondContact O-N 2.92Å; G180-H182 PolarHBondContact O-N 2.88Å; G180-H182 VanDerWaalsContact O-N 3.16Å; G180-C183 WeakPolarHBondContact O-CB 3.32Å; G180-C183 PolarHBondContact O-N 3.35Å
181	S	93.3	Very high	95.9	Very high	61 Å²	61	43 Å²	43	43%	0.427	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.6	-177.3	61.9	0	0	0	0	114	Q63 G64	Q63-S181 WeakPolarHBondContact CA-OG 3.44Å; Q63-S181 PolarHBondContact OE1-OG 3.37Å; G64-S181 PolarHBondContact N-OG 3.48Å
182	H	89.8	Confident	95.9	Very high	54 Å²	54	44.4 Å²	44.4	25%	0.25	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.5	176.8	-163.9	79	0	0	0	113	Y160 G180 Q184	Y160-H182 AromaticContact CE1-CD2 3.86Å; Y160-H182 AromaticContact CE1-NE2 3.87Å; G180-H182 PolarHBondContact O-N 2.88Å; G180-H182 VanDerWaalsContact O-N 3.16Å; H182-Q184 PolarHBondContact O-N 3.1Å
183	C	93.2	Very high	95.9	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.041	21%	0.206	C	C	.	.			trans	-69.4	115.2	-177.4	-172.4	0	0	0	0	111.4	Y162 F176 F179 G180 T185	Y162-C183 HydrophobicContact CD1-CB 4.23Å; Y162-C183 HydrophobicContact CE1-CB 3.61Å; F176-C183 WeakPolarHBondContact O-CB 3.26Å; F176-C183 PolarHBondContact O-SG 2.77Å; F179-C183 HydrophobicContact CB-CB 4.2Å; G180-C183 WeakPolarHBondContact O-CB 3.32Å; G180-C183 PolarHBondContact O-N 3.35Å; C183-T185 PolarHBondContact SG-O 2.89Å
184	Q	92.1	Very high	95.8	Very high	145 Å²	145	43.4 Å²	43.4	68%	0.678	21%	0.205	S	C	*	.			trans	-104.5	-13.5	179.1	-59.2	-57.1	-40.9	0	0	113.6	H182	H182-Q184 PolarHBondContact O-N 3.1Å
185	T	95.3	Very high	95.3	Very high	39 Å²	39	44.7 Å²	44.7	24%	0.239	21%	0.212	C	C	.	.			trans	-146.8	146.5	-174.1	170.9	0	0	0	0	110.8	C183 Q187	C183-T185 PolarHBondContact SG-O 2.89Å; T185-Q187 HydrophobicContact CG2-CB 3.92Å; T185-Q187 PolarHBondContact O-N 2.88Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.14Å; T185-Q187 PolarHBondContact OG1-N 2.88Å; T185-Q187 VanDerWaalsContact OG1-N 3.14Å
186	P	97.1	Very high	94.4	Very high	23 Å²	23	46 Å²	46	15%	0.149	22%	0.219	C	C	.	.			trans	-74.5	9	171.2	33	-37	0	0	0	113.8	E138 V139 F176 I188	E138-P186 CarbonylContact C-O 3.48Å; E138-P186 VanDerWaalsContact CA-O 3.31Å; E138-P186 WeakPolarHBondContact CA-O 3.18Å; E138-P186 HydrophobicContact CB-CB 4.28Å; E138-P186 HydrophobicContact CB-CG 4.12Å; E138-P186 HydrophobicContact CG-CG 4.07Å; V139-P186 PolarHBondContact N-O 3.4Å; V139-P186 WeakPolarHBondContact O-CB 3.39Å; F176-P186 HydrophobicContact CB-CB 3.94Å; F176-P186 HydrophobicContact CG-CB 4.43Å; P186-I188 PolarHBondContact O-N 2.67Å; P186-I188 VanDerWaalsContact O-N 3.15Å
187	Q	97.4	Very high	94.3	Very high	42 Å²	42	46.3 Å²	46.3	20%	0.196	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-63.3	113.7	-178	-175	-179.1	16	0	0	111.9	N137 Q153 T185	N137-Q187 CarbonylContact O-C 3.56Å; N137-Q187 WeakPolarHBondContact O-CA 3.45Å; N137-Q187 WeakPolarHBondContact O-CG 3.47Å; Q153-Q187 HydrophobicContact CG-CB 4.3Å; Q153-Q187 HydrophobicContact CG-CG 3.93Å; T185-Q187 HydrophobicContact CG2-CB 3.92Å; T185-Q187 PolarHBondContact O-N 2.88Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.14Å; T185-Q187 PolarHBondContact OG1-N 2.88Å; T185-Q187 VanDerWaalsContact OG1-N 3.14Å
188	I	97.9	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.			trans	-143.6	125.9	178.6	-59.5	-66	0	0	0	108	L129 N137 V139 F142 C151 Y152 Y162 P186 I191	L129-I188 HydrophobicContact CD1-CG2 4.18Å; N137-I188 PolarHBondContact O-N 2.82Å; V139-I188 HydrophobicContact CB-CB 4.16Å; V139-I188 HydrophobicContact CB-CG1 4.49Å; V139-I188 HydrophobicContact CG2-CB 4Å; V139-I188 HydrophobicContact CG2-CG2 4.28Å; F142-I188 HydrophobicContact CZ-CG1 4.16Å; F142-I188 HydrophobicContact CZ-CG2 4.43Å; C151-I188 HydrophobicContact CB-CD1 3.93Å; C151-I188 HydrophobicContact CB-CG2 3.86Å; Y152-I188 WeakPolarHBondContact O-CA 3.5Å; Y162-I188 HydrophobicContact CD2-CD1 3.53Å; Y162-I188 HydrophobicContact CE2-CD1 3.87Å; P186-I188 PolarHBondContact O-N 2.67Å; P186-I188 VanDerWaalsContact O-N 3.15Å; I188-I191 HydrophobicContact CG2-CD1 4.03Å; I188-I191 HydrophobicContact CG2-CG1 3.88Å
189	Q	97.9	Very high	94.3	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.084	19%	0.188	C	C	.	.			trans	-133.3	-10	-171.9	-63.6	-176.6	74.2	0	0	114.3	S128 L129 N137 Y152 Q153 P155	S128-Q189 WeakPolarHBondContact CA-O 3.34Å; L129-Q189 PolarHBondContact N-O 2.85Å; N137-Q189 HydrophobicContact CB-CG 4.13Å; Y152-Q189 PolarHBondContact O-N 2.87Å; Q153-Q189 WeakPolarHBondContact O-CB 3.31Å; Q153-Q189 VanDerWaalsContact O-CG 3.31Å; Q153-Q189 WeakPolarHBondContact O-CG 3.5Å; Q153-Q189 PolarHBondContact O-NE2 2.9Å; P155-Q189 HydrophobicContact CG-CB 3.97Å
190	S	97.9	Very high	94.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.5	166.1	60.4	0	0	0	0	111.1	Y126 P127 Y152 Y154 Y157	Y126-S190 VanDerWaalsContact O-CA 3.27Å; Y126-S190 WeakPolarHBondContact O-CA 3.43Å; Y126-S190 WeakPolarHBondContact O-CB 3.41Å; P127-S190 VanDerWaalsContact O-CB 3.31Å; P127-S190 WeakPolarHBondContact O-CB 3.31Å; Y152-S190 WeakPolarHBondContact CB-OG 3.48Å; Y152-S190 PolarHBondContact N-O 2.91Å; Y152-S190 PolarHBondContact O-N 3.34Å; Y154-S190 PolarHBondContact O-OG 3.47Å; Y157-S190 WeakPolarHBondContact CA-OG 3.49Å; Y157-S190 PolarHBondContact N-OG 2.89Å
191	I	98.3	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.2	-176	-60.4	179.4	0	0	0	107.4	M107 I109 L122 Y126 L129 F142 F149 V150 C151 I188	M107-I191 HydrophobicContact SD-CD1 4.39Å; M107-I191 HydrophobicContact SD-CG2 4.43Å; I109-I191 HydrophobicContact CG2-CD1 3.89Å; L122-I191 HydrophobicContact CD2-CB 4.12Å; L122-I191 HydrophobicContact CD2-CD1 3.77Å; L122-I191 HydrophobicContact CD2-CG1 4.47Å; L122-I191 HydrophobicContact CD2-CG2 4.12Å; Y126-I191 CarbonylContact C-O 3.54Å; Y126-I191 PolarHBondContact N-O 3.01Å; Y126-I191 PolarHBondContact O-N 3.06Å; L129-I191 HydrophobicContact CD1-CD1 3.98Å; L129-I191 HydrophobicContact CD1-CG1 4.23Å; L129-I191 HydrophobicContact CD2-CB 4.5Å; L129-I191 HydrophobicContact CD2-CD1 4.08Å; L129-I191 HydrophobicContact CD2-CG1 4.17Å; F142-I191 HydrophobicContact CE1-CD1 4.01Å; F149-I191 HydrophobicContact CB-CG2 4.17Å; F149-I191 HydrophobicContact CD1-CG2 3.83Å; F149-I191 HydrophobicContact CG-CG2 4.39Å; V150-I191 WeakPolarHBondContact O-CA 3.47Å; C151-I191 HydrophobicContact CB-CG1 4.25Å; I188-I191 HydrophobicContact CG2-CD1 4.03Å; I188-I191 HydrophobicContact CG2-CG1 3.88Å
192	R	97.4	Very high	94.2	Very high	33 Å²	33	39.3 Å²	39.3	13%	0.125	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.4	169.5	67	-179.6	-172	86.5	-13.8	110.9	E70 D125 F149 V150 Y152 Y157	E70-R192 VanDerWaalsContact CD-NH1 3.33Å; E70-R192 IonicContact OE1-CZ 3.15Å; E70-R192 IonicContact OE1-NH1 3.6Å; E70-R192 PolarHBondContact OE1-NH1 2.88Å; E70-R192 IonicContact OE1-NH2 2.82Å; E70-R192 IonicContact OE2-CZ 3.5Å; E70-R192 IonicContact OE2-NH1 3.09Å; E70-R192 PolarHBondContact OE2-NH1 2.89Å; E70-R192 VanDerWaalsContact OE2-NH1 3.13Å; E70-R192 IonicContact OE2-NH2 2.96Å; E70-R192 PolarHBondContact OE2-NH2 3.26Å; D125-R192 HydrophobicContact CB-CB 3.91Å; D125-R192 WeakPolarHBondContact OD1-CA 3.26Å; D125-R192 WeakPolarHBondContact OD1-CB 3.19Å; F149-R192 WeakPolarHBondContact CA-O 3.37Å; V150-R192 HydrophobicContact CG1-CG 3.43Å; V150-R192 VanDerWaalsContact CG1-CG 3.43Å; V150-R192 PolarHBondContact N-O 3.38Å; V150-R192 PolarHBondContact O-N 3.4Å; Y152-R192 HydrophobicContact CE2-CG 4.06Å; Y152-R192 PolarHBondContact OH-NE 3.43Å; Y152-R192 VanDerWaalsContact OH-NE 3.08Å; Y157-R192 HydrophobicContact CD1-CB 4.35Å; Y157-R192 HydrophobicContact CD1-CG 4.29Å; Y157-R192 HydrophobicContact CE1-CB 3.77Å; Y157-R192 HydrophobicContact CE1-CG 4.2Å
193	R	97.5	Very high	94.6	Very high	39 Å²	39	38.3 Å²	38.3	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	147.1	171	-60.7	169	-69.2	-165.5	7.6	109.7	H102 C105 S123 D124 D125 F149	H102-R193 PolarHBondContact CE1-NE 3.14Å; C105-R193 HydrophobicContact CB-CB 4.35Å; C105-R193 HydrophobicContact CB-CG 3.59Å; S123-R193 WeakPolarHBondContact O-CD 3.28Å; S123-R193 PolarHBondContact O-NH1 3.03Å; D124-R193 IonicContact OD1-CZ 3.6Å; D124-R193 IonicContact OD1-NH1 3.28Å; D124-R193 PolarHBondContact OD1-NH1 3.14Å; D124-R193 IonicContact OD1-NH2 2.63Å; D125-R193 WeakPolarHBondContact OD1-CB 3.45Å; D125-R193 WeakPolarHBondContact OD1-CG 3.37Å; D125-R193 IonicContact OD1-CZ 3.64Å; D125-R193 PolarHBondContact OD1-N 3.15Å; D125-R193 IonicContact OD1-NE 2.77Å; D125-R193 PolarHBondContact OD1-NE 3.21Å; D125-R193 IonicContact OD1-NH2 3.76Å; D125-R193 IonicContact OD2-CZ 3.92Å; D125-R193 IonicContact OD2-NE 3.71Å; D125-R193 IonicContact OD2-NH2 3.51Å; D125-R193 PolarHBondContact OD2-NH2 3.1Å; F149-R193 HydrophobicContact CD1-CG 4.07Å; F149-R193 HydrophobicContact CE1-CG 3.69Å; F149-R193 HydrophobicContact CZ-CG 4.38Å
194	I	96.2	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-85.5	135	173.1	-67.4	169.8	0	0	0	109.3	A53 I68 E70 I97 A100 A148 V150 I163	A53-I194 HydrophobicContact CB-CG2 3.46Å; A53-I194 VanDerWaalsContact CB-CG2 3.46Å; I68-I194 HydrophobicContact CD1-CB 4.46Å; I68-I194 HydrophobicContact CD1-CD1 3.64Å; I68-I194 HydrophobicContact CD1-CG1 3.81Å; I68-I194 HydrophobicContact CD1-CG2 3.83Å; I68-I194 HydrophobicContact CG1-CD1 4.44Å; I68-I194 HydrophobicContact CG1-CG1 4.21Å; E70-I194 HydrophobicContact CG-CG2 4.48Å; I97-I194 HydrophobicContact CD1-CD1 3.87Å; I97-I194 HydrophobicContact CD1-CG2 4.37Å; A100-I194 HydrophobicContact CB-CG2 3.92Å; A148-I194 HydrophobicContact CB-CB 4.28Å; A148-I194 HydrophobicContact CB-CD1 3.83Å; A148-I194 HydrophobicContact CB-CG1 4.5Å; A148-I194 PolarHBondContact O-N 3.48Å; V150-I194 HydrophobicContact CB-CD1 4.38Å; V150-I194 HydrophobicContact CB-CG1 4.27Å; V150-I194 HydrophobicContact CG1-CG1 4.16Å; I163-I194 HydrophobicContact CD1-CD1 4.15Å; I163-I194 HydrophobicContact CG2-CD1 3.89Å
195	Q	89.4	Confident	94.9	Very high	101 Å²	101	32.1 Å²	32.1	47%	0.472	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-96.8	140.9	177.1	-58.6	-178.8	30.7	0	0	110	A53 E70	A53-Q195 WeakPolarHBondContact CB-O 3.44Å; E70-Q195 PolarHBondContact OE1-N 3.48Å
196	Q	76.4	Confident	94.9	Very high	90 Å²	90	31.5 Å²	31.5	42%	0.421	15%	0.145	S	C	.	.			trans	-101.7	0	177.7	60.7	177	-12	0	0	112.1	F8 G52 A100	F8-Q196 VanDerWaalsContact CE1-NE2 3.29Å; G52-Q196 PolarHBondContact N-OXT 2.98Å; A100-Q196 PolarHBondContact O-OE1 2.81Å; A100-Q196 VanDerWaalsContact O-OE1 3.13Å

Retrieved 196 of 196 residues in 52.6 ms (Link to these results)

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