A0A060VRA2_ONCMY Loading...

Beta-crystallin A2

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

AlphaFold DB (A0A1S3PLI5), UniProt , Accession A0A060VRA2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene CRYBA2, 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	47.5	Very low	51.3	Low	202 Å²	202	116.9 Å²	116.9	100%	0.995	60%	0.604	S	S	*	*				0	136.8	0	-66.9	176.1	-144.5	0	0	107.2
2	N	46.9	Very low	55	Low	117 Å²	117	107.8 Å²	107.8	63%	0.626	56%	0.556	S	S	*	*			trans	-85.6	152.8	-173	-123.7	8.2	0	0	0	111.4	Q4 Q5 M6	N2-Q4 PolarHBondContact O-N 2.91Å; N2-Q4 VanDerWaalsContact O-N 3.15Å; N2-Q5 WeakPolarHBondContact O-CB 3.44Å; N2-Q5 PolarHBondContact O-N 2.99Å; N2-M6 PolarHBondContact O-N 3.17Å
3	T	44.2	Very low	58.3	Low	98 Å²	98	103.8 Å²	103.8	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-55.6	-34	-174.1	-30.7	0	0	0	0	113.6	Q5 M6 E7	T3-Q5 PolarHBondContact O-N 3.43Å; T3-M6 PolarHBondContact O-N 3.15Å; T3-M6 VanDerWaalsContact O-N 3.17Å; T3-E7 PolarHBondContact O-N 3.4Å
4	Q	48	Very low	61.1	Low	145 Å²	145	96.4 Å²	96.4	68%	0.678	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-31.5	174.1	-76.2	176.4	-16.1	0	0	114.2	N2 Q8	N2-Q4 PolarHBondContact O-N 2.91Å; N2-Q4 VanDerWaalsContact O-N 3.15Å; Q4-Q8 PolarHBondContact O-N 3.41Å
5	Q	43.2	Very low	63.6	Low	117 Å²	117	89.9 Å²	89.9	55%	0.547	46%	0.461	S	S	.	.	H	α-helix	trans	-74.2	-31.7	173.8	-80.2	176	-26.9	0	0	111.3	N2 T3 M9	N2-Q5 WeakPolarHBondContact O-CB 3.44Å; N2-Q5 PolarHBondContact O-N 2.99Å; T3-Q5 PolarHBondContact O-N 3.43Å; Q5-M9 WeakPolarHBondContact O-CG 3.39Å; Q5-M9 PolarHBondContact O-N 3.25Å
6	M	43.8	Very low	65.8	Low	126 Å²	126	84.3 Å²	84.3	62%	0.621	43%	0.432	S	S	*	.	H	α-helix	trans	-74	-33.8	176.5	-64.4	-179.7	82.9	0	0	112	N2 T3 M9	N2-M6 PolarHBondContact O-N 3.17Å; T3-M6 PolarHBondContact O-N 3.15Å; T3-M6 VanDerWaalsContact O-N 3.17Å; M6-M9 PolarHBondContact O-N 3.44Å
7	E	48.9	Very low	67.7	Low	141 Å²	141	80.8 Å²	80.8	66%	0.659	41%	0.412	S	S	*	.	H	α-helix	trans	-68.2	-37.3	173.7	-74.8	172.3	175.4	0	0	112.6	T3 M9	T3-E7 PolarHBondContact O-N 3.4Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.29Å
8	Q	50.9	Low	69.4	Low	78 Å²	78	78.6 Å²	78.6	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-28.9	175.6	-79	-176.3	16	0	0	113.3	Q4 G10 Q11	Q4-Q8 PolarHBondContact O-N 3.41Å; Q8-G10 PolarHBondContact O-N 3.43Å; Q8-Q11 PolarHBondContact O-N 3.11Å
9	M	48.7	Very low	70.8	Confident	102 Å²	102	79.9 Å²	79.9	50%	0.502	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.2	-176	-79.5	177.9	64.5	0	0	114.7	Q5 M6 E7 L30	Q5-M9 WeakPolarHBondContact O-CG 3.39Å; Q5-M9 PolarHBondContact O-N 3.25Å; M6-M9 PolarHBondContact O-N 3.44Å; E7-M9 VanDerWaalsContact C-N 3.31Å; E7-M9 PolarHBondContact O-N 3.29Å; M9-L30 HydrophobicContact CE-CD1 4.5Å
10	G	59.2	Low	72.2	Confident	53 Å²	53	79.2 Å²	79.2	55%	0.546	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-11.8	175.3	0	0	0	0	0	114.7	Q8 N51	Q8-G10 PolarHBondContact O-N 3.43Å; G10-N51 PolarHBondContact O-ND2 3.2Å; G10-N51 VanDerWaalsContact O-ND2 3.11Å
11	Q	83.4	Confident	73.4	Confident	107 Å²	107	79.2 Å²	79.2	50%	0.5	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-29.8	-169.5	-168.9	177.9	9.4	0	0	113.2	Q8 N51	Q8-Q11 PolarHBondContact O-N 3.11Å; Q11-N51 VanDerWaalsContact O-CB 3.28Å; Q11-N51 WeakPolarHBondContact O-CB 3.06Å
12	F	95.3	Very high	75.9	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.035	36%	0.363	C	S	.	.			trans	-129.1	137.2	-177.1	-62.7	-81.9	0	0	0	110.7	L30 N51 G52 W54 P96 K98	F12-L30 WeakPolarHBondContact O-CD2 3.37Å; F12-N51 WeakPolarHBondContact CA-O 3.28Å; F12-G52 WeakPolarHBondContact CE1-O 3.46Å; F12-W54 HydrophobicContact CB-CH2 4.34Å; F12-W54 HydrophobicContact CB-CZ2 3.54Å; F12-P96 HydrophobicContact CB-CB 4.16Å; F12-P96 HydrophobicContact CD1-CB 3.49Å; F12-P96 VanDerWaalsContact CD1-CB 3.49Å; F12-P96 HydrophobicContact CD2-CB 3.79Å; F12-P96 HydrophobicContact CD2-CG 4.45Å; F12-P96 HydrophobicContact CE1-CB 3.73Å; F12-P96 HydrophobicContact CE2-CB 4.03Å; F12-P96 HydrophobicContact CG-CB 3.52Å; F12-P96 HydrophobicContact CG-CG 4.47Å; F12-P96 HydrophobicContact CZ-CB 4.01Å; F12-K98 HydrophobicContact CE2-CG 4.32Å; F12-K98 HydrophobicContact CZ-CG 4.43Å
13	K	97.4	Very high	78.3	Confident	55 Å²	55	71.5 Å²	71.5	24%	0.239	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	123.1	175.9	-176.6	176.7	168.5	131.7	0	110.2	E28 L30 E50 N51	K13-E28 WeakPolarHBondContact CE-OE1 3.33Å; K13-E28 VanDerWaalsContact CE-OE2 3.25Å; K13-E28 WeakPolarHBondContact CE-OE2 3.38Å; K13-E28 HydrophobicContact CG-CG 4.23Å; K13-E28 IonicContact NZ-OE1 3.3Å; K13-E28 PolarHBondContact NZ-OE1 3.42Å; K13-E28 IonicContact NZ-OE2 2.62Å; K13-E28 PolarHBondContact NZ-OE2 2.83Å; K13-L30 HydrophobicContact CB-CD2 4.1Å; K13-L30 HydrophobicContact CG-CD2 4.09Å; K13-E50 HydrophobicContact CB-CB 4.2Å; K13-E50 HydrophobicContact CD-CB 4Å; K13-E50 HydrophobicContact CD-CG 4.23Å; K13-E50 VanDerWaalsContact CE-CD 3.47Å; K13-E50 WeakPolarHBondContact CE-OE1 3.23Å; K13-E50 HydrophobicContact CG-CB 4.14Å; K13-E50 PolarHBondContact O-N 3.46Å; K13-E50 VanDerWaalsContact O-N 3.07Å; K13-N51 HydrophobicContact CB-CB 4.25Å; K13-N51 PolarHBondContact N-O 3.27Å; K13-N51 PolarHBondContact O-N 3.18Å; K13-N51 VanDerWaalsContact O-N 3.17Å; K13-N51 VanDerWaalsContact O-O 3.07Å
14	I	98.4	Very high	80.8	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	172.6	-173.6	173	0	0	0	108.9	V16 F29 I47 K48 V49 W54 L69 F94	I14-V16 HydrophobicContact CD1-CG1 4.32Å; I14-V16 HydrophobicContact CG1-CG1 4.18Å; I14-F29 HydrophobicContact CG2-CB 3.75Å; I14-F29 PolarHBondContact N-O 2.84Å; I14-F29 PolarHBondContact O-N 3.02Å; I14-I47 HydrophobicContact CD1-CG2 3.58Å; I14-I47 HydrophobicContact CG1-CG2 3.58Å; I14-K48 CarbonylContact C-O 3.58Å; I14-K48 WeakPolarHBondContact CA-O 3.47Å; I14-V49 HydrophobicContact CD1-CG2 4.18Å; I14-V49 HydrophobicContact CG1-CG2 4.11Å; I14-W54 HydrophobicContact CB-CD2 3.91Å; I14-W54 HydrophobicContact CB-CE3 4.47Å; I14-W54 HydrophobicContact CB-CG 4.19Å; I14-W54 HydrophobicContact CB-CZ2 3.97Å; I14-W54 HydrophobicContact CD1-CB 4.26Å; I14-W54 HydrophobicContact CD1-CD2 4.35Å; I14-W54 HydrophobicContact CD1-CG 4.15Å; I14-W54 HydrophobicContact CG2-CD2 3.66Å; I14-W54 HydrophobicContact CG2-CE3 3.74Å; I14-W54 HydrophobicContact CG2-CG 4.41Å; I14-W54 HydrophobicContact CG2-CH2 3.56Å; I14-W54 HydrophobicContact CG2-CZ2 3.46Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.46Å; I14-W54 HydrophobicContact CG2-CZ3 3.7Å; I14-L69 HydrophobicContact CD1-CD1 3.92Å; I14-F94 HydrophobicContact CG2-CD2 4.14Å; I14-F94 HydrophobicContact CG2-CE2 3.77Å
15	T	98.6	Very high	83.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.6	170.2	-53.7	0	0	0	0	109	W17 R26 C27 I47 K48 E50	T15-W17 VanDerWaalsContact C-CZ3 3.5Å; T15-W17 VanDerWaalsContact CB-CH2 3.42Å; T15-W17 VanDerWaalsContact CB-CZ3 3.45Å; T15-W17 HydrophobicContact CG2-CD2 4.29Å; T15-W17 HydrophobicContact CG2-CE3 3.98Å; T15-W17 HydrophobicContact CG2-CH2 3.16Å; T15-W17 HydrophobicContact CG2-CZ2 3.54Å; T15-W17 HydrophobicContact CG2-CZ3 3.4Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.4Å; T15-W17 WeakPolarHBondContact O-CZ3 3.27Å; T15-R26 HydrophobicContact CG2-CB 4.46Å; T15-R26 HydrophobicContact CG2-CG 4.49Å; T15-C27 WeakPolarHBondContact CA-O 3.16Å; T15-I47 CarbonylContact O-C 3.59Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; T15-K48 PolarHBondContact N-O 3.21Å; T15-K48 PolarHBondContact O-N 2.9Å; T15-E50 PolarHBondContact OG1-OE1 3.13Å; T15-E50 VanDerWaalsContact OG1-OE1 3.1Å
16	V	98.4	Very high	85.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.4	179.5	-51.1	0	0	0	0	110.4	I14 R26 C27 F29 F41 I44 I47 F94	I14-V16 HydrophobicContact CD1-CG1 4.32Å; I14-V16 HydrophobicContact CG1-CG1 4.18Å; V16-R26 VanDerWaalsContact O-CA 3.26Å; V16-R26 WeakPolarHBondContact O-CA 3.35Å; V16-C27 PolarHBondContact N-O 3.1Å; V16-C27 PolarHBondContact O-N 2.95Å; V16-F29 HydrophobicContact CG2-CD2 4.38Å; V16-F29 HydrophobicContact CG2-CE2 3.69Å; V16-F41 HydrophobicContact CG2-CD1 4.38Å; V16-F41 HydrophobicContact CG2-CE1 4.01Å; V16-F41 HydrophobicContact CG2-CZ 4.31Å; V16-I44 HydrophobicContact CB-CD1 3.96Å; V16-I44 HydrophobicContact CB-CG1 4.04Å; V16-I44 HydrophobicContact CB-CG2 4.02Å; V16-I44 HydrophobicContact CG1-CD1 3.94Å; V16-I44 HydrophobicContact CG1-CG2 4.41Å; V16-I44 HydrophobicContact CG2-CD1 4.08Å; V16-I44 HydrophobicContact CG2-CG1 4.15Å; V16-I47 HydrophobicContact CG1-CG1 4.29Å; V16-F94 HydrophobicContact CG1-CE1 4.19Å; V16-F94 HydrophobicContact CG1-CZ 4.24Å
17	W	98.5	Very high	88.4	Confident	24 Å²	24	63.1 Å²	63.1	9%	0.091	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.1	-179	-74.4	-100.4	0	0	0	111.6	T15 E19 F22 Q23 K25 R26 R45 S46 K48	T15-W17 VanDerWaalsContact C-CZ3 3.5Å; T15-W17 VanDerWaalsContact CB-CH2 3.42Å; T15-W17 VanDerWaalsContact CB-CZ3 3.45Å; T15-W17 HydrophobicContact CG2-CD2 4.29Å; T15-W17 HydrophobicContact CG2-CE3 3.98Å; T15-W17 HydrophobicContact CG2-CH2 3.16Å; T15-W17 HydrophobicContact CG2-CZ2 3.54Å; T15-W17 HydrophobicContact CG2-CZ3 3.4Å; T15-W17 VanDerWaalsContact CG2-CZ3 3.4Å; T15-W17 WeakPolarHBondContact O-CZ3 3.27Å; W17-E19 VanDerWaalsContact C-N 3.29Å; W17-E19 PolarHBondContact O-N 3.38Å; W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.02Å; W17-F22 HydrophobicContact CD2-CD1 4.38Å; W17-F22 HydrophobicContact CE3-CB 4.39Å; W17-F22 AromaticContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CG-CB 4.41Å; W17-F22 HydrophobicContact CH2-CD1 4.43Å; W17-F22 HydrophobicContact CZ2-CB 4.13Å; W17-F22 AromaticContact CZ3-CD1 3.96Å; W17-F22 HydrophobicContact CZ3-CD1 3.96Å; W17-F22 PolarHBondContact NE1-O 3.07Å; W17-Q23 WeakPolarHBondContact CB-O 3.38Å; W17-Q23 VanDerWaalsContact CD1-O 3.32Å; W17-K25 WeakPolarHBondContact CA-O 3.25Å; W17-R26 VanDerWaalsContact CD1-CB 3.44Å; W17-R26 HydrophobicContact CD2-CB 4.11Å; W17-R26 HydrophobicContact CG-CB 3.95Å; W17-R26 HydrophobicContact CZ2-CB 4.47Å; W17-R26 VanDerWaalsContact NE1-CB 3.34Å; W17-R45 PolarHBondContact O-N 2.71Å; W17-S46 WeakPolarHBondContact CB-OG 3.19Å; W17-S46 PolarHBondContact N-O 2.9Å; W17-S46 PolarHBondContact O-N 3.21Å; W17-K48 HydrophobicContact CH2-CB 4.01Å; W17-K48 HydrophobicContact CH2-CD 3.76Å; W17-K48 HydrophobicContact CH2-CG 3.74Å; W17-K48 HydrophobicContact CZ3-CB 3.78Å; W17-K48 HydrophobicContact CZ3-CD 4.16Å; W17-K48 HydrophobicContact CZ3-CG 3.59Å
18	E	96.9	Very high	90.7	Very high	41 Å²	41	60.2 Å²	60.2	19%	0.192	31%	0.305	C	S	.	.	S	Bend	trans	-73.2	-19.3	176.7	-74.7	-164.5	140.5	0	0	113.9	K25 F41 H42 K43 R45	E18-K25 HydrophobicContact CB-CB 4.4Å; E18-K25 HydrophobicContact CG-CB 3.99Å; E18-K25 PolarHBondContact N-O 2.76Å; E18-K25 WeakPolarHBondContact OE2-CB 3.45Å; E18-F41 HydrophobicContact CG-CD1 3.33Å; E18-F41 HydrophobicContact CG-CE1 3.58Å; E18-F41 HydrophobicContact CG-CG 4.19Å; E18-F41 WeakPolarHBondContact OE1-CA 3.5Å; E18-H42 PolarHBondContact OE1-N 2.96Å; E18-K43 WeakPolarHBondContact O-CE 3.34Å; E18-R45 WeakPolarHBondContact O-CB 3.41Å; E18-R45 VanDerWaalsContact O-CD 3.29Å; E18-R45 WeakPolarHBondContact O-CD 3.26Å; E18-R45 VanDerWaalsContact O-CG 3.27Å; E18-R45 WeakPolarHBondContact O-CG 3.38Å
19	E	97.7	Very high	92.9	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	29%	0.291	S	S	.	.	S	Bend	trans	-118.5	163	178.7	-60.8	178.4	-164.2	0	0	111.9	W17 Q23 R45 S46	W17-E19 VanDerWaalsContact C-N 3.29Å; W17-E19 PolarHBondContact O-N 3.38Å; E19-Q23 HydrophobicContact CB-CB 3.98Å; E19-Q23 WeakPolarHBondContact CB-O 3.48Å; E19-Q23 PolarHBondContact N-O 3.17Å; E19-R45 CarbonylContact O-C 3.59Å; E19-S46 WeakPolarHBondContact O-CB 3.32Å; E19-S46 PolarHBondContact O-N 3.01Å; E19-S46 PolarHBondContact O-OG 2.79Å
20	E	97.8	Very high	95.2	Very high	65 Å²	65	54.8 Å²	54.8	30%	0.304	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-68.8	162	175.3	-67.1	176.1	-161.4	0	0	110.6	F22 Q23 R45 P75 R76	E20-F22 PolarHBondContact O-N 3.17Å; E20-Q23 PolarHBondContact O-N 3.43Å; E20-R45 HydrophobicContact CG-CB 4Å; E20-R45 IonicContact OE1-NH1 3.76Å; E20-R45 PolarHBondContact OE1-NH1 3.05Å; E20-P75 CarbonylContact C-O 3.34Å; E20-P75 WeakPolarHBondContact CA-O 3.22Å; E20-P75 WeakPolarHBondContact CB-O 3.39Å; E20-R76 HydrophobicContact CG-CB 4.24Å
21	N	98.3	Very high	97	Very high	81 Å²	81	57.1 Å²	57.1	43%	0.433	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	55.6	35.5	177	-48.7	-66.3	0	0	0	113.5	Q23 P75	N21-Q23 PolarHBondContact O-N 3.34Å; N21-Q23 PolarHBondContact O-NE2 2.92Å; N21-P75 PolarHBondContact N-O 3.2Å
22	F	98.3	Very high	97.6	Very high	45 Å²	45	56.2 Å²	56.2	20%	0.197	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	62.9	38.5	172.8	-36.9	-65.9	0	0	0	113.7	W17 E20 S46 I47 K48 D73 P75	W17-F22 VanDerWaalsContact CD1-O 3.27Å; W17-F22 HydrophobicContact CD2-CB 4.02Å; W17-F22 HydrophobicContact CD2-CD1 4.38Å; W17-F22 HydrophobicContact CE3-CB 4.39Å; W17-F22 AromaticContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CE3-CD1 3.93Å; W17-F22 HydrophobicContact CG-CB 4.41Å; W17-F22 HydrophobicContact CH2-CD1 4.43Å; W17-F22 HydrophobicContact CZ2-CB 4.13Å; W17-F22 AromaticContact CZ3-CD1 3.96Å; W17-F22 HydrophobicContact CZ3-CD1 3.96Å; W17-F22 PolarHBondContact NE1-O 3.07Å; E20-F22 PolarHBondContact O-N 3.17Å; F22-S46 VanDerWaalsContact CA-OG 3.26Å; F22-S46 WeakPolarHBondContact CA-OG 3.49Å; F22-S46 PolarHBondContact N-OG 3.07Å; F22-I47 WeakPolarHBondContact CE1-O 3.4Å; F22-K48 HydrophobicContact CD1-CD 4.24Å; F22-K48 HydrophobicContact CD1-CG 3.69Å; F22-K48 HydrophobicContact CE1-CD 4.34Å; F22-K48 HydrophobicContact CE1-CG 3.55Å; F22-K48 HydrophobicContact CG-CG 4.44Å; F22-K48 HydrophobicContact CZ-CG 4.19Å; F22-D73 HydrophobicContact CZ-CB 3.85Å; F22-P75 HydrophobicContact CE2-CB 4.23Å; F22-P75 HydrophobicContact CZ-CB 3.97Å
23	Q	98.2	Very high	97.8	Very high	111 Å²	111	56 Å²	56	52%	0.519	28%	0.275	S	S	.	.			trans	-109.2	170.4	-178.8	-58.4	-53.9	-56	0	0	112.9	W17 E19 E20 N21	W17-Q23 WeakPolarHBondContact CB-O 3.38Å; W17-Q23 VanDerWaalsContact CD1-O 3.32Å; E19-Q23 HydrophobicContact CB-CB 3.98Å; E19-Q23 WeakPolarHBondContact CB-O 3.48Å; E19-Q23 PolarHBondContact N-O 3.17Å; E20-Q23 PolarHBondContact O-N 3.43Å; N21-Q23 PolarHBondContact O-N 3.34Å; N21-Q23 PolarHBondContact O-NE2 2.92Å
24	G	97.4	Very high	97.8	Very high	47 Å²	47	58 Å²	58	49%	0.485	29%	0.285	S	S	.	.	S	Bend	trans	72.2	-156.3	177.8	0	0	0	0	0	113.6	R26	G24-R26 PolarHBondContact O-N 3.05Å
25	K	97.6	Very high	97.8	Very high	89 Å²	89	59.4 Å²	59.4	39%	0.387	29%	0.292	S	S	.	.	S	Bend	trans	-61.8	131.4	178.8	-178.3	-178.8	174.7	-179	0	110	W17 E18 R39 G40 F41	W17-K25 WeakPolarHBondContact CA-O 3.25Å; E18-K25 HydrophobicContact CB-CB 4.4Å; E18-K25 HydrophobicContact CG-CB 3.99Å; E18-K25 PolarHBondContact N-O 2.76Å; E18-K25 WeakPolarHBondContact OE2-CB 3.45Å; K25-R39 PolarHBondContact NZ-O 3.45Å; K25-G40 PolarHBondContact NZ-O 2.82Å; K25-F41 HydrophobicContact CD-CE2 4.1Å; K25-F41 HydrophobicContact CD-CZ 4.15Å; K25-F41 HydrophobicContact CG-CE1 4.34Å; K25-F41 HydrophobicContact CG-CE2 4.2Å; K25-F41 HydrophobicContact CG-CZ 3.82Å; K25-F41 WeakPolarHBondContact O-CE1 3.38Å
26	R	97.8	Very high	97.7	Very high	142 Å²	142	59.4 Å²	59.4	54%	0.536	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.5	176.7	91.9	177.3	-179.7	100.7	1.1	112.6	T15 V16 W17 G24	T15-R26 HydrophobicContact CG2-CB 4.46Å; T15-R26 HydrophobicContact CG2-CG 4.49Å; V16-R26 VanDerWaalsContact O-CA 3.26Å; V16-R26 WeakPolarHBondContact O-CA 3.35Å; W17-R26 VanDerWaalsContact CD1-CB 3.44Å; W17-R26 HydrophobicContact CD2-CB 4.11Å; W17-R26 HydrophobicContact CG-CB 3.95Å; W17-R26 HydrophobicContact CZ2-CB 4.47Å; W17-R26 VanDerWaalsContact NE1-CB 3.34Å; G24-R26 PolarHBondContact O-N 3.05Å
27	C	98.2	Very high	97.6	Very high	33 Å²	33	64.2 Å²	64.2	22%	0.223	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.1	172.3	-171	0	0	0	0	110.2	T15 V16 F29 F41	T15-C27 WeakPolarHBondContact CA-O 3.16Å; V16-C27 PolarHBondContact N-O 3.1Å; V16-C27 PolarHBondContact O-N 2.95Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.16Å; C27-F41 HydrophobicContact CB-CD2 4.49Å; C27-F41 HydrophobicContact CB-CE2 3.36Å; C27-F41 HydrophobicContact CB-CZ 3.47Å; C27-F41 VanDerWaalsContact CB-CZ 3.47Å
28	E	97.9	Very high	97.5	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.6	179.8	-179.4	176.8	136.9	0	0	109.5	K13	K13-E28 WeakPolarHBondContact CE-OE1 3.33Å; K13-E28 VanDerWaalsContact CE-OE2 3.25Å; K13-E28 WeakPolarHBondContact CE-OE2 3.38Å; K13-E28 HydrophobicContact CG-CG 4.23Å; K13-E28 IonicContact NZ-OE1 3.3Å; K13-E28 PolarHBondContact NZ-OE1 3.42Å; K13-E28 IonicContact NZ-OE2 2.62Å; K13-E28 PolarHBondContact NZ-OE2 2.83Å
29	F	97.4	Very high	97.4	Very high	13 Å²	13	72.3 Å²	72.3	6%	0.057	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.6	-179.5	-60.2	-102.2	0	0	0	110.3	I14 V16 C27 C33 R39 W54 F94	I14-F29 HydrophobicContact CG2-CB 3.75Å; I14-F29 PolarHBondContact N-O 2.84Å; I14-F29 PolarHBondContact O-N 3.02Å; V16-F29 HydrophobicContact CG2-CD2 4.38Å; V16-F29 HydrophobicContact CG2-CE2 3.69Å; C27-F29 HydrophobicContact CB-CE2 3.71Å; C27-F29 HydrophobicContact CB-CZ 4.16Å; F29-C33 HydrophobicContact CD1-CB 3.87Å; F29-C33 HydrophobicContact CE1-CB 3.7Å; F29-R39 HydrophobicContact CE1-CG 3.76Å; F29-R39 HydrophobicContact CZ-CB 4.29Å; F29-R39 HydrophobicContact CZ-CG 3.78Å; F29-W54 HydrophobicContact CB-CH2 4.3Å; F29-F94 HydrophobicContact CB-CE2 3.78Å; F29-F94 HydrophobicContact CB-CZ 4.27Å; F29-F94 AromaticContact CD1-CE2 3.91Å; F29-F94 HydrophobicContact CD1-CE2 3.91Å; F29-F94 AromaticContact CD1-CZ 3.81Å; F29-F94 HydrophobicContact CD1-CZ 3.81Å; F29-F94 AromaticContact CD2-CE2 3.91Å; F29-F94 HydrophobicContact CD2-CE2 3.91Å; F29-F94 AromaticContact CD2-CZ 3.51Å; F29-F94 HydrophobicContact CD2-CZ 3.51Å; F29-F94 HydrophobicContact CE1-CE2 4.45Å; F29-F94 AromaticContact CE1-CZ 3.91Å; F29-F94 HydrophobicContact CE1-CZ 3.91Å; F29-F94 HydrophobicContact CE2-CE2 4.47Å; F29-F94 AromaticContact CE2-CZ 3.65Å; F29-F94 HydrophobicContact CE2-CZ 3.65Å; F29-F94 AromaticContact CG-CE2 3.6Å; F29-F94 HydrophobicContact CG-CE2 3.6Å; F29-F94 AromaticContact CG-CZ 3.6Å; F29-F94 HydrophobicContact CG-CZ 3.6Å; F29-F94 AromaticContact CZ-CZ 3.83Å; F29-F94 HydrophobicContact CZ-CZ 3.83Å
30	L	96.6	Very high	97.3	Very high	52 Å²	52	69 Å²	69	27%	0.272	35%	0.347	S	S	.	.	S	Bend	trans	-110.5	-10.8	173.9	-53.5	177.9	0	0	0	111.7	M9 F12 K13	M9-L30 HydrophobicContact CE-CD1 4.5Å; F12-L30 WeakPolarHBondContact O-CD2 3.37Å; K13-L30 HydrophobicContact CB-CD2 4.1Å; K13-L30 HydrophobicContact CG-CD2 4.09Å
31	L	95.9	Very high	97.3	Very high	103 Å²	103	66 Å²	66	54%	0.539	33%	0.333	S	S	.	.	S	Bend	trans	-133.3	173.1	-179	-61.5	176.4	0	0	0	109.3	W54	L31-W54 WeakPolarHBondContact O-CH2 3.48Å; L31-W54 WeakPolarHBondContact O-CZ3 3.19Å
32	E	97.6	Very high	97	Very high	88 Å²	88	69.1 Å²	69.1	41%	0.411	35%	0.345	S	S	.	.			trans	-58.2	150	175.2	65.3	-173.7	-134.3	0	0	113.6	Q34 F62 F94 R95	E32-Q34 PolarHBondContact OE1-NE2 2.83Å; E32-F62 HydrophobicContact CB-CE1 4.3Å; E32-F62 HydrophobicContact CB-CZ 3.93Å; E32-F62 HydrophobicContact CG-CZ 4.15Å; E32-F94 CarbonylContact C-O 3.57Å; E32-F94 WeakPolarHBondContact CA-O 3.4Å; E32-R95 HydrophobicContact CB-CB 3.59Å
33	C	98.1	Very high	96.8	Very high	3 Å²	3	71.6 Å²	71.6	2%	0.02	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-125.1	111	172.1	-177.3	0	0	0	0	108.1	F29 N35 S93 F94	F29-C33 HydrophobicContact CD1-CB 3.87Å; F29-C33 HydrophobicContact CE1-CB 3.7Å; C33-N35 VanDerWaalsContact C-N 3.35Å; C33-N35 VanDerWaalsContact SG-C 3.57Å; C33-N35 PolarHBondContact SG-O 2.89Å; C33-S93 CarbonylContact O-C 3.32Å; C33-S93 WeakPolarHBondContact O-CA 3.43Å; C33-S93 WeakPolarHBondContact O-CB 3.17Å; C33-F94 HydrophobicContact CB-CD1 4.47Å; C33-F94 HydrophobicContact CB-CD2 4.21Å; C33-F94 HydrophobicContact CB-CE1 4.01Å; C33-F94 HydrophobicContact CB-CE2 3.71Å; C33-F94 HydrophobicContact CB-CZ 3.6Å; C33-F94 PolarHBondContact N-O 3.49Å; C33-F94 PolarHBondContact O-N 3.37Å
34	Q	98.1	Very high	96.8	Very high	97 Å²	97	66.4 Å²	66.4	45%	0.453	33%	0.331	S	S	.	.	S	Bend	trans	-76.3	-24	179.9	-70	178.9	8.1	0	0	112.7	E32 P60 E61 F62 S93	E32-Q34 PolarHBondContact OE1-NE2 2.83Å; Q34-P60 CarbonylContact O-C 3.57Å; Q34-P60 VanDerWaalsContact O-CA 3.29Å; Q34-P60 WeakPolarHBondContact O-CA 3.37Å; Q34-E61 PolarHBondContact O-N 2.71Å; Q34-F62 HydrophobicContact CB-CZ 4.41Å; Q34-F62 HydrophobicContact CG-CE1 4.25Å; Q34-F62 HydrophobicContact CG-CE2 3.68Å; Q34-F62 HydrophobicContact CG-CZ 3.44Å; Q34-F62 VanDerWaalsContact CG-CZ 3.44Å; Q34-S93 VanDerWaalsContact O-CB 3.24Å; Q34-S93 WeakPolarHBondContact O-CB 3.33Å
35	N	98.1	Very high	96.8	Very high	29 Å²	29	67.3 Å²	67.3	16%	0.155	32%	0.32	C	S	.	.			trans	-156.8	118.3	176.7	-170.7	-10.4	0	0	0	110.4	C33 M37 D38 P60 L92	C33-N35 VanDerWaalsContact C-N 3.35Å; C33-N35 VanDerWaalsContact SG-C 3.57Å; C33-N35 PolarHBondContact SG-O 2.89Å; N35-M37 VanDerWaalsContact ND2-CE 3.33Å; N35-M37 WeakPolarHBondContact ND2-CE 3.43Å; N35-M37 PolarHBondContact O-N 2.75Å; N35-M37 WeakPolarHBondContact OD1-CB 3.36Å; N35-M37 WeakPolarHBondContact OD1-CE 3.45Å; N35-M37 WeakPolarHBondContact OD1-CG 3.46Å; N35-M37 PolarHBondContact OD1-N 2.64Å; N35-D38 WeakPolarHBondContact O-CB 3.13Å; N35-D38 PolarHBondContact O-N 3.18Å; N35-P60 HydrophobicContact CB-CB 4.24Å; N35-L92 WeakPolarHBondContact CA-O 3.27Å
36	I	97.8	Very high	96.8	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-65.9	-22	-179.8	65.7	166.1	0	0	0	112.8	D38 R39 G40 F41 I44 L92 F94	I36-D38 PolarHBondContact O-N 3.45Å; I36-R39 WeakPolarHBondContact O-CA 3.26Å; I36-R39 PolarHBondContact O-N 2.84Å; I36-G40 PolarHBondContact O-N 3.17Å; I36-F41 HydrophobicContact CB-CB 4Å; I36-F41 HydrophobicContact CD1-CB 3.96Å; I36-F41 HydrophobicContact CG1-CB 4.16Å; I36-F41 PolarHBondContact O-N 2.8Å; I36-F41 VanDerWaalsContact O-N 3.12Å; I36-I44 HydrophobicContact CD1-CD1 4.24Å; I36-I44 HydrophobicContact CD1-CG1 4Å; I36-I44 HydrophobicContact CG2-CD1 3.74Å; I36-L92 HydrophobicContact CD1-CD2 3.62Å; I36-L92 HydrophobicContact CG1-CD2 3.89Å; I36-L92 WeakPolarHBondContact CG2-O 3.4Å; I36-L92 PolarHBondContact N-O 3.47Å; I36-F94 HydrophobicContact CG2-CD1 4.4Å; I36-F94 HydrophobicContact CG2-CE1 3.81Å
37	M	96.6	Very high	96.8	Very high	100 Å²	100	56.3 Å²	56.3	49%	0.493	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.9	177.5	-63	-172.1	-71	0	0	111.7	N35 R39 G40 F41	N35-M37 VanDerWaalsContact ND2-CE 3.33Å; N35-M37 WeakPolarHBondContact ND2-CE 3.43Å; N35-M37 PolarHBondContact O-N 2.75Å; N35-M37 WeakPolarHBondContact OD1-CB 3.36Å; N35-M37 WeakPolarHBondContact OD1-CE 3.45Å; N35-M37 WeakPolarHBondContact OD1-CG 3.46Å; N35-M37 PolarHBondContact OD1-N 2.64Å; M37-R39 PolarHBondContact O-N 2.6Å; M37-R39 VanDerWaalsContact O-N 3.17Å; M37-G40 WeakPolarHBondContact O-CA 3.43Å; M37-G40 PolarHBondContact O-N 3.33Å; M37-F41 WeakPolarHBondContact CA-O 3.31Å
38	D	96.1	Very high	96.8	Very high	110 Å²	110	57.3 Å²	57.3	59%	0.588	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-70	-10.6	175.1	-58.4	-19	0	0	0	112.7	N35 I36	N35-D38 WeakPolarHBondContact O-CB 3.13Å; N35-D38 PolarHBondContact O-N 3.18Å; I36-D38 PolarHBondContact O-N 3.45Å
39	R	94.9	Very high	96.9	Very high	125 Å²	125	53.7 Å²	53.7	47%	0.472	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-105.7	8.8	170.6	-57.9	-63	-175.2	-89.2	-2.7	111.6	K25 F29 I36 M37 F41	K25-R39 PolarHBondContact NZ-O 3.45Å; F29-R39 HydrophobicContact CE1-CG 3.76Å; F29-R39 HydrophobicContact CZ-CB 4.29Å; F29-R39 HydrophobicContact CZ-CG 3.78Å; I36-R39 WeakPolarHBondContact O-CA 3.26Å; I36-R39 PolarHBondContact O-N 2.84Å; M37-R39 PolarHBondContact O-N 2.6Å; M37-R39 VanDerWaalsContact O-N 3.17Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 HydrophobicContact CB-CD2 3.93Å; R39-F41 HydrophobicContact CB-CE2 4.38Å; R39-F41 WeakPolarHBondContact O-CD2 3.27Å; R39-F41 PolarHBondContact O-N 3.27Å
40	G	95.4	Very high	96.8	Very high	35 Å²	35	56 Å²	56	36%	0.361	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	27.9	-177.3	0	0	0	0	0	113.4	K25 I36 M37	K25-G40 PolarHBondContact NZ-O 2.82Å; I36-G40 PolarHBondContact O-N 3.17Å; M37-G40 WeakPolarHBondContact O-CA 3.43Å; M37-G40 PolarHBondContact O-N 3.33Å
41	F	96.4	Very high	96.8	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	27%	0.274	C	S	.	.			trans	-94.8	137	170.8	-77.4	-109.7	0	0	0	109.2	V16 E18 K25 C27 I36 M37 R39	V16-F41 HydrophobicContact CG2-CD1 4.38Å; V16-F41 HydrophobicContact CG2-CE1 4.01Å; V16-F41 HydrophobicContact CG2-CZ 4.31Å; E18-F41 HydrophobicContact CG-CD1 3.33Å; E18-F41 HydrophobicContact CG-CE1 3.58Å; E18-F41 HydrophobicContact CG-CG 4.19Å; E18-F41 WeakPolarHBondContact OE1-CA 3.5Å; K25-F41 HydrophobicContact CD-CE2 4.1Å; K25-F41 HydrophobicContact CD-CZ 4.15Å; K25-F41 HydrophobicContact CG-CE1 4.34Å; K25-F41 HydrophobicContact CG-CE2 4.2Å; K25-F41 HydrophobicContact CG-CZ 3.82Å; K25-F41 WeakPolarHBondContact O-CE1 3.38Å; C27-F41 HydrophobicContact CB-CD2 4.49Å; C27-F41 HydrophobicContact CB-CE2 3.36Å; C27-F41 HydrophobicContact CB-CZ 3.47Å; C27-F41 VanDerWaalsContact CB-CZ 3.47Å; I36-F41 HydrophobicContact CB-CB 4Å; I36-F41 HydrophobicContact CD1-CB 3.96Å; I36-F41 HydrophobicContact CG1-CB 4.16Å; I36-F41 PolarHBondContact O-N 2.8Å; I36-F41 VanDerWaalsContact O-N 3.12Å; M37-F41 WeakPolarHBondContact CA-O 3.31Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 HydrophobicContact CB-CD2 3.93Å; R39-F41 HydrophobicContact CB-CE2 4.38Å; R39-F41 WeakPolarHBondContact O-CD2 3.27Å; R39-F41 PolarHBondContact O-N 3.27Å
42	H	92.5	Very high	96.7	Very high	148 Å²	148	51.9 Å²	51.9	69%	0.685	25%	0.251	S	S	*	.	S	Bend	trans	-98.2	-19.9	171.3	-63	-63.5	0	0	0	113	E18	E18-H42 PolarHBondContact OE1-N 2.96Å
43	K	94.8	Very high	96.6	Very high	96 Å²	96	47.7 Å²	47.7	42%	0.417	23%	0.231	S	C	.	.			trans	-158.4	153.6	-177.8	62.6	-164.6	-177.1	179.9	0	109.9	E18 R45	E18-K43 WeakPolarHBondContact O-CE 3.34Å; K43-R45 HydrophobicContact CD-CG 4.36Å; K43-R45 HydrophobicContact CG-CG 4.3Å
44	I	97.4	Very high	96.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	23%	0.23	C	C	.	.			trans	-112.2	126.7	166.4	-67.5	171	0	0	0	107	V16 I36 I47 W80 F94	V16-I44 HydrophobicContact CB-CD1 3.96Å; V16-I44 HydrophobicContact CB-CG1 4.04Å; V16-I44 HydrophobicContact CB-CG2 4.02Å; V16-I44 HydrophobicContact CG1-CD1 3.94Å; V16-I44 HydrophobicContact CG1-CG2 4.41Å; V16-I44 HydrophobicContact CG2-CD1 4.08Å; V16-I44 HydrophobicContact CG2-CG1 4.15Å; I36-I44 HydrophobicContact CD1-CD1 4.24Å; I36-I44 HydrophobicContact CD1-CG1 4Å; I36-I44 HydrophobicContact CG2-CD1 3.74Å; I44-I47 HydrophobicContact CG2-CD1 3.86Å; I44-I47 HydrophobicContact CG2-CG1 3.5Å; I44-I47 VanDerWaalsContact CG2-CG1 3.5Å; I44-W80 HydrophobicContact CG2-CH2 4.48Å; I44-F94 HydrophobicContact CD1-CD1 4.28Å; I44-F94 HydrophobicContact CD1-CE1 3.87Å
45	R	97	Very high	96.6	Very high	66 Å²	66	43 Å²	43	25%	0.249	21%	0.209	C	C	.	.			trans	-119.5	-17.1	-179.3	-74	-166.8	170.1	-89.5	-18.6	113.9	W17 E18 E19 E20 K43 R76 E89	W17-R45 PolarHBondContact O-N 2.71Å; E18-R45 WeakPolarHBondContact O-CB 3.41Å; E18-R45 VanDerWaalsContact O-CD 3.29Å; E18-R45 WeakPolarHBondContact O-CD 3.26Å; E18-R45 VanDerWaalsContact O-CG 3.27Å; E18-R45 WeakPolarHBondContact O-CG 3.38Å; E19-R45 CarbonylContact O-C 3.59Å; E20-R45 HydrophobicContact CG-CB 4Å; E20-R45 IonicContact OE1-NH1 3.76Å; E20-R45 PolarHBondContact OE1-NH1 3.05Å; K43-R45 HydrophobicContact CD-CG 4.36Å; K43-R45 HydrophobicContact CG-CG 4.3Å; R45-R76 WeakPolarHBondContact O-CA 3.32Å; R45-E89 IonicContact CZ-OE2 3.98Å; R45-E89 IonicContact NH1-OE2 2.63Å; R45-E89 IonicContact NH2-OE2 3.77Å; R45-E89 PolarHBondContact NH2-OE2 2.9Å
46	S	98.3	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154	166.2	57.7	0	0	0	0	111.5	W17 E19 F22 Y74 P75	W17-S46 WeakPolarHBondContact CB-OG 3.19Å; W17-S46 PolarHBondContact N-O 2.9Å; W17-S46 PolarHBondContact O-N 3.21Å; E19-S46 WeakPolarHBondContact O-CB 3.32Å; E19-S46 PolarHBondContact O-N 3.01Å; E19-S46 PolarHBondContact O-OG 2.79Å; F22-S46 VanDerWaalsContact CA-OG 3.26Å; F22-S46 WeakPolarHBondContact CA-OG 3.49Å; F22-S46 PolarHBondContact N-OG 3.07Å; S46-Y74 CarbonylContact C-O 3.56Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.37Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.41Å; S46-P75 WeakPolarHBondContact CB-O 3.26Å
47	I	98.5	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.6	-172.1	-58.2	173.7	0	0	0	109.1	I14 T15 V16 F22 I44 V49 L69 Y74 W80 M91	I14-I47 HydrophobicContact CD1-CG2 3.58Å; I14-I47 HydrophobicContact CG1-CG2 3.58Å; T15-I47 CarbonylContact O-C 3.59Å; T15-I47 WeakPolarHBondContact O-CA 3.46Å; V16-I47 HydrophobicContact CG1-CG1 4.29Å; F22-I47 WeakPolarHBondContact CE1-O 3.4Å; I44-I47 HydrophobicContact CG2-CD1 3.86Å; I44-I47 HydrophobicContact CG2-CG1 3.5Å; I44-I47 VanDerWaalsContact CG2-CG1 3.5Å; I47-V49 HydrophobicContact CG2-CG2 4.06Å; I47-L69 HydrophobicContact CD1-CD1 4.02Å; I47-L69 HydrophobicContact CD1-CD2 4.23Å; I47-Y74 HydrophobicContact CB-CD2 4.36Å; I47-Y74 HydrophobicContact CG2-CD2 4.37Å; I47-Y74 PolarHBondContact N-O 3.42Å; I47-Y74 WeakPolarHBondContact O-CA 3.37Å; I47-Y74 WeakPolarHBondContact O-CB 3.39Å; I47-Y74 PolarHBondContact O-N 3.29Å; I47-W80 HydrophobicContact CD1-CD2 4.3Å; I47-W80 HydrophobicContact CD1-CE3 4.16Å; I47-W80 HydrophobicContact CD1-CH2 4.33Å; I47-W80 HydrophobicContact CD1-CZ2 4.47Å; I47-W80 HydrophobicContact CD1-CZ3 4.18Å; I47-W80 HydrophobicContact CG1-CH2 4.37Å; I47-W80 HydrophobicContact CG1-CZ3 4.15Å; I47-M91 HydrophobicContact CD1-CE 3.89Å; I47-M91 HydrophobicContact CD1-SD 3.68Å
48	K	98.6	Very high	96.3	Very high	54 Å²	54	37.5 Å²	37.5	24%	0.235	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.3	162	-65.7	-168.4	178.7	-120.1	0	108.2	I14 T15 W17 F22 D73	I14-K48 CarbonylContact C-O 3.58Å; I14-K48 WeakPolarHBondContact CA-O 3.47Å; T15-K48 PolarHBondContact N-O 3.21Å; T15-K48 PolarHBondContact O-N 2.9Å; W17-K48 HydrophobicContact CH2-CB 4.01Å; W17-K48 HydrophobicContact CH2-CD 3.76Å; W17-K48 HydrophobicContact CH2-CG 3.74Å; W17-K48 HydrophobicContact CZ3-CB 3.78Å; W17-K48 HydrophobicContact CZ3-CD 4.16Å; W17-K48 HydrophobicContact CZ3-CG 3.59Å; F22-K48 HydrophobicContact CD1-CD 4.24Å; F22-K48 HydrophobicContact CD1-CG 3.69Å; F22-K48 HydrophobicContact CE1-CD 4.34Å; F22-K48 HydrophobicContact CE1-CG 3.55Å; F22-K48 HydrophobicContact CG-CG 4.44Å; F22-K48 HydrophobicContact CZ-CG 4.19Å; K48-D73 WeakPolarHBondContact CD-OD1 3.34Å; K48-D73 WeakPolarHBondContact CG-OD1 3.45Å; K48-D73 VanDerWaalsContact NZ-CG 3.28Å; K48-D73 IonicContact NZ-OD1 2.71Å; K48-D73 PolarHBondContact NZ-OD1 3.03Å; K48-D73 IonicContact NZ-OD2 3.14Å; K48-D73 PolarHBondContact NZ-OD2 2.97Å
49	V	98.3	Very high	96.3	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	100.8	171.5	179.7	0	0	0	0	106.9	I14 I47 L69 E70 K71 G72 Y74	I14-V49 HydrophobicContact CD1-CG2 4.18Å; I14-V49 HydrophobicContact CG1-CG2 4.11Å; I47-V49 HydrophobicContact CG2-CG2 4.06Å; V49-L69 HydrophobicContact CG2-CB 3.99Å; V49-E70 VanDerWaalsContact CB-O 3.31Å; V49-E70 WeakPolarHBondContact CB-O 3.47Å; V49-K71 WeakPolarHBondContact O-CA 3.48Å; V49-K71 WeakPolarHBondContact O-CG 3.38Å; V49-G72 PolarHBondContact N-O 3.46Å; V49-G72 PolarHBondContact O-N 3.06Å; V49-Y74 HydrophobicContact CG2-CD2 4.46Å; V49-Y74 HydrophobicContact CG2-CE2 3.98Å
50	E	96.8	Very high	96.4	Very high	61 Å²	61	32.9 Å²	32.9	29%	0.285	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-44.5	175.9	-64.2	98.6	142.7	0	0	111.3	K13 T15 K71	K13-E50 HydrophobicContact CB-CB 4.2Å; K13-E50 HydrophobicContact CD-CB 4Å; K13-E50 HydrophobicContact CD-CG 4.23Å; K13-E50 VanDerWaalsContact CE-CD 3.47Å; K13-E50 WeakPolarHBondContact CE-OE1 3.23Å; K13-E50 HydrophobicContact CG-CB 4.14Å; K13-E50 PolarHBondContact O-N 3.46Å; K13-E50 VanDerWaalsContact O-N 3.07Å; T15-E50 PolarHBondContact OG1-OE1 3.13Å; T15-E50 VanDerWaalsContact OG1-OE1 3.1Å; E50-K71 WeakPolarHBondContact O-CD 3.19Å; E50-K71 VanDerWaalsContact O-CE 3.27Å; E50-K71 WeakPolarHBondContact O-CE 3.44Å
51	N	95.3	Very high	96.5	Very high	63 Å²	63	37.6 Å²	37.6	34%	0.337	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.2	175.8	-64.9	-17.7	0	0	0	109.5	G10 Q11 F12 K13 W54	G10-N51 PolarHBondContact O-ND2 3.2Å; G10-N51 VanDerWaalsContact O-ND2 3.11Å; Q11-N51 VanDerWaalsContact O-CB 3.28Å; Q11-N51 WeakPolarHBondContact O-CB 3.06Å; F12-N51 WeakPolarHBondContact CA-O 3.28Å; K13-N51 HydrophobicContact CB-CB 4.25Å; K13-N51 PolarHBondContact N-O 3.27Å; K13-N51 PolarHBondContact O-N 3.18Å; K13-N51 VanDerWaalsContact O-N 3.17Å; K13-N51 VanDerWaalsContact O-O 3.07Å; N51-W54 PolarHBondContact O-NE1 2.96Å
52	G	93.7	Very high	96.5	Very high	5 Å²	5	39.1 Å²	39.1	5%	0.052	18%	0.18	C	C	.	.			trans	-125.9	-164.7	-171.3	0	0	0	0	0	113.4	F12	F12-G52 WeakPolarHBondContact CE1-O 3.46Å
53	P	96.8	Very high	96.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.166	C	C	.	.			cis	-86.3	157	-3.7	24.8	-13.3	0	0	0	112.1	I68 E70 I97 A100 I194 Q195	P53-I68 HydrophobicContact CB-CD1 4.36Å; P53-E70 HydrophobicContact CB-CG 4.36Å; P53-I97 HydrophobicContact CB-CD1 4.48Å; P53-I97 HydrophobicContact CG-CB 4.08Å; P53-I97 PolarHBondContact O-N 2.83Å; P53-A100 HydrophobicContact CG-CB 3.36Å; P53-I194 HydrophobicContact CB-CG2 3.64Å; P53-I194 HydrophobicContact CG-CG2 3.42Å; P53-I194 VanDerWaalsContact CG-CG2 3.42Å; P53-Q195 WeakPolarHBondContact CB-O 3.43Å; P53-Q195 VanDerWaalsContact CG-O 3.27Å; P53-Q195 WeakPolarHBondContact CG-O 3.3Å
54	W	97.9	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.7	173.9	-66	77.3	0	0	0	110.6	F12 I14 F29 L31 N51 L69 F94 R95 P96	F12-W54 HydrophobicContact CB-CH2 4.34Å; F12-W54 HydrophobicContact CB-CZ2 3.54Å; I14-W54 HydrophobicContact CB-CD2 3.91Å; I14-W54 HydrophobicContact CB-CE3 4.47Å; I14-W54 HydrophobicContact CB-CG 4.19Å; I14-W54 HydrophobicContact CB-CZ2 3.97Å; I14-W54 HydrophobicContact CD1-CB 4.26Å; I14-W54 HydrophobicContact CD1-CD2 4.35Å; I14-W54 HydrophobicContact CD1-CG 4.15Å; I14-W54 HydrophobicContact CG2-CD2 3.66Å; I14-W54 HydrophobicContact CG2-CE3 3.74Å; I14-W54 HydrophobicContact CG2-CG 4.41Å; I14-W54 HydrophobicContact CG2-CH2 3.56Å; I14-W54 HydrophobicContact CG2-CZ2 3.46Å; I14-W54 VanDerWaalsContact CG2-CZ2 3.46Å; I14-W54 HydrophobicContact CG2-CZ3 3.7Å; F29-W54 HydrophobicContact CB-CH2 4.3Å; L31-W54 WeakPolarHBondContact O-CH2 3.48Å; L31-W54 WeakPolarHBondContact O-CZ3 3.19Å; N51-W54 PolarHBondContact O-NE1 2.96Å; W54-L69 HydrophobicContact CB-CB 4.03Å; W54-L69 HydrophobicContact CB-CD1 4.39Å; W54-L69 PolarHBondContact N-O 3.03Å; W54-L69 WeakPolarHBondContact O-CB 3.34Å; W54-L69 PolarHBondContact O-N 2.86Å; W54-F94 AromaticContact CE3-CD2 3.77Å; W54-F94 HydrophobicContact CE3-CD2 3.77Å; W54-F94 HydrophobicContact CE3-CE2 4.45Å; W54-F94 AromaticContact CZ3-CD2 3.8Å; W54-F94 HydrophobicContact CZ3-CD2 3.8Å; W54-F94 HydrophobicContact CZ3-CE2 4.14Å; W54-R95 CarbonylContact C-O 3.58Å; W54-R95 WeakPolarHBondContact CA-O 3.48Å; W54-P96 HydrophobicContact CE3-CB 4.46Å
55	L	97.3	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.9	172.9	-176.4	51.8	0	0	0	109.3	Y57 Q66 F67 F94 R95 I97 I163	L55-Y57 HydrophobicContact CB-CE2 4.2Å; L55-Y57 HydrophobicContact CD2-CE1 4.24Å; L55-Y57 HydrophobicContact CD2-CE2 3.91Å; L55-Y57 VanDerWaalsContact CD2-CZ 3.49Å; L55-Y57 WeakPolarHBondContact CD2-OH 3.44Å; L55-Y57 HydrophobicContact CG-CD2 4.34Å; L55-Y57 HydrophobicContact CG-CE1 4.41Å; L55-Y57 HydrophobicContact CG-CE2 3.64Å; L55-Q66 HydrophobicContact CD1-CB 3.94Å; L55-Q66 HydrophobicContact CD1-CG 4.49Å; L55-F67 WeakPolarHBondContact CD1-O 3.45Å; L55-F94 CarbonylContact O-C 3.56Å; L55-F94 WeakPolarHBondContact O-CA 3.22Å; L55-F94 WeakPolarHBondContact O-CB 3.2Å; L55-R95 HydrophobicContact CB-CG 4.38Å; L55-R95 PolarHBondContact N-O 2.84Å; L55-R95 PolarHBondContact O-N 2.85Å; L55-I97 HydrophobicContact CB-CD1 4.02Å; L55-I97 HydrophobicContact CB-CG1 3.94Å; L55-I163 HydrophobicContact CD1-CB 4.16Å; L55-I163 HydrophobicContact CD1-CD1 3.65Å; L55-I163 HydrophobicContact CD1-CG1 3.6Å; L55-I163 HydrophobicContact CD2-CB 3.94Å; L55-I163 HydrophobicContact CD2-CG1 4.29Å; L55-I163 HydrophobicContact CD2-CG2 3.9Å
56	G	96.9	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	151.8	171.9	0	0	0	0	0	112.1	Q66 F67	G56-Q66 CarbonylContact O-C 3.52Å; G56-Q66 WeakPolarHBondContact O-CA 3.37Å; G56-F67 PolarHBondContact N-O 3.08Å; G56-F67 PolarHBondContact O-N 2.67Å
57	Y	95.9	Very high	95.8	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.1	-179.6	-66	-92.7	0	0	0	110.8	L55 Y59 F62 Q65 Q66 M91 L92 S93 R95	L55-Y57 HydrophobicContact CB-CE2 4.2Å; L55-Y57 HydrophobicContact CD2-CE1 4.24Å; L55-Y57 HydrophobicContact CD2-CE2 3.91Å; L55-Y57 VanDerWaalsContact CD2-CZ 3.49Å; L55-Y57 WeakPolarHBondContact CD2-OH 3.44Å; L55-Y57 HydrophobicContact CG-CD2 4.34Å; L55-Y57 HydrophobicContact CG-CE1 4.41Å; L55-Y57 HydrophobicContact CG-CE2 3.64Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 3.39Å; Y57-F62 HydrophobicContact CD1-CB 4.2Å; Y57-F62 WeakPolarHBondContact CD1-O 3.44Å; Y57-F62 HydrophobicContact CD2-CB 3.94Å; Y57-F62 AromaticContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CG 4.36Å; Y57-F62 HydrophobicContact CE1-CB 3.97Å; Y57-F62 WeakPolarHBondContact CE1-O 3.49Å; Y57-F62 HydrophobicContact CE2-CB 3.7Å; Y57-F62 AromaticContact CE2-CD1 3.78Å; Y57-F62 HydrophobicContact CE2-CD1 3.78Å; Y57-F62 HydrophobicContact CE2-CG 4.1Å; Y57-F62 HydrophobicContact CG-CB 4.16Å; Y57-Q65 CarbonylContact C-O 3.6Å; Y57-Q65 WeakPolarHBondContact CA-O 3.33Å; Y57-Q66 HydrophobicContact CD1-CG 3.95Å; Y57-Q66 HydrophobicContact CE1-CG 3.75Å; Y57-M91 CarbonylContact O-C 3.59Å; Y57-M91 VanDerWaalsContact O-CA 3.27Å; Y57-M91 WeakPolarHBondContact O-CA 3.4Å; Y57-L92 PolarHBondContact O-N 3.49Å; Y57-S93 WeakPolarHBondContact CB-OG 3.4Å; Y57-S93 PolarHBondContact N-O 2.92Å; Y57-S93 PolarHBondContact O-N 2.87Å; Y57-R95 HydrophobicContact CE2-CG 4.16Å; Y57-R95 PolarHBondContact OH-NE 3.37Å; Y57-R95 PolarHBondContact OH-NH2 2.86Å
58	E	94.4	Very high	95.6	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	14%	0.141	C	C	.	.	S	Bend	trans	-59	-42.6	179	-179	174.9	-151.6	0	0	113	Q65 F67 Y86 T88 H90 L92 Q182	E58-Q65 HydrophobicContact CB-CB 4.18Å; E58-Q65 PolarHBondContact N-O 3.08Å; E58-Q65 PolarHBondContact OE2-N 2.85Å; E58-F67 HydrophobicContact CB-CE2 4.39Å; E58-Y86 WeakPolarHBondContact OE1-CE1 3.47Å; E58-Y86 PolarHBondContact OE1-OH 2.79Å; E58-Y86 VanDerWaalsContact OE1-OH 3.08Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.42Å; E58-Y86 PolarHBondContact OE2-OH 2.74Å; E58-T88 HydrophobicContact CG-CG2 4.32Å; E58-T88 WeakPolarHBondContact OE1-CB 3.13Å; E58-T88 PolarHBondContact OE1-OG1 3.28Å; E58-H90 WeakPolarHBondContact CA-O 3.4Å; E58-H90 HydrophobicContact CG-CB 4.12Å; E58-L92 WeakPolarHBondContact O-CB 3.1Å; E58-L92 WeakPolarHBondContact O-CD1 3.29Å; E58-L92 VanDerWaalsContact O-CG 3.23Å; E58-L92 WeakPolarHBondContact O-CG 3.27Å; E58-L92 PolarHBondContact O-N 2.81Å; E58-Q182 PolarHBondContact OE2-NE2 2.99Å
59	Y	96	Very high	95.6	Very high	102 Å²	102	27.1 Å²	27.1	40%	0.4	13%	0.13	S	C	.	.	S	Bend	trans	-110.8	166.1	-175.7	-60.4	-48.9	0	0	0	112.2	Y57 Q63 S93	Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 3.39Å; Y59-Q63 WeakPolarHBondContact CB-O 3.35Å; Y59-Q63 PolarHBondContact N-O 2.79Å; Y59-S93 WeakPolarHBondContact O-CB 3.46Å; Y59-S93 PolarHBondContact O-OG 3.39Å
60	P	97.1	Very high	95.5	Very high	36 Å²	36	28.2 Å²	28.2	23%	0.234	14%	0.135	C	C	.	.	S	Bend	trans	-56.5	166	168.3	-24.5	36.6	0	0	0	112.3	Q34 N35 F62 Q63 L92	Q34-P60 CarbonylContact O-C 3.57Å; Q34-P60 VanDerWaalsContact O-CA 3.29Å; Q34-P60 WeakPolarHBondContact O-CA 3.37Å; N35-P60 HydrophobicContact CB-CB 4.24Å; P60-F62 PolarHBondContact O-N 3.4Å; P60-F62 VanDerWaalsContact O-N 3.16Å; P60-Q63 PolarHBondContact O-N 3.14Å; P60-L92 HydrophobicContact CG-CB 4.19Å; P60-L92 HydrophobicContact CG-CD1 4.36Å
61	E	96.9	Very high	95.5	Very high	135 Å²	135	32.1 Å²	32.1	63%	0.631	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	32.9	173.3	-55.2	-178.6	161.3	0	0	113.7	Q34 Q63	Q34-E61 PolarHBondContact O-N 2.71Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 HydrophobicContact CB-CG 4.49Å; E61-Q63 PolarHBondContact O-N 2.79Å; E61-Q63 PolarHBondContact O-NE2 3.15Å
62	F	96.3	Very high	95.5	Very high	33 Å²	33	30.4 Å²	30.4	15%	0.145	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	36.9	176.1	-42.7	-54.8	0	0	0	113.5	E32 Q34 Y57 P60 S93 R95	E32-F62 HydrophobicContact CB-CE1 4.3Å; E32-F62 HydrophobicContact CB-CZ 3.93Å; E32-F62 HydrophobicContact CG-CZ 4.15Å; Q34-F62 HydrophobicContact CB-CZ 4.41Å; Q34-F62 HydrophobicContact CG-CE1 4.25Å; Q34-F62 HydrophobicContact CG-CE2 3.68Å; Q34-F62 HydrophobicContact CG-CZ 3.44Å; Q34-F62 VanDerWaalsContact CG-CZ 3.44Å; Y57-F62 HydrophobicContact CD1-CB 4.2Å; Y57-F62 WeakPolarHBondContact CD1-O 3.44Å; Y57-F62 HydrophobicContact CD2-CB 3.94Å; Y57-F62 AromaticContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CD1 3.82Å; Y57-F62 HydrophobicContact CD2-CG 4.36Å; Y57-F62 HydrophobicContact CE1-CB 3.97Å; Y57-F62 WeakPolarHBondContact CE1-O 3.49Å; Y57-F62 HydrophobicContact CE2-CB 3.7Å; Y57-F62 AromaticContact CE2-CD1 3.78Å; Y57-F62 HydrophobicContact CE2-CD1 3.78Å; Y57-F62 HydrophobicContact CE2-CG 4.1Å; Y57-F62 HydrophobicContact CG-CB 4.16Å; P60-F62 PolarHBondContact O-N 3.4Å; P60-F62 VanDerWaalsContact O-N 3.16Å; F62-S93 WeakPolarHBondContact CA-OG 3.15Å; F62-S93 PolarHBondContact N-OG 3.33Å; F62-R95 HydrophobicContact CE1-CB 3.99Å; F62-R95 HydrophobicContact CZ-CB 4.37Å
63	Q	94.9	Very high	95.8	Very high	84 Å²	84	34.8 Å²	34.8	39%	0.393	17%	0.17	S	C	.	.			trans	-105.6	158.2	-179.4	-57.8	-58.6	-60.6	0	0	112	Y59 P60 E61	Y59-Q63 WeakPolarHBondContact CB-O 3.35Å; Y59-Q63 PolarHBondContact N-O 2.79Å; P60-Q63 PolarHBondContact O-N 3.14Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 HydrophobicContact CB-CG 4.49Å; E61-Q63 PolarHBondContact O-N 2.79Å; E61-Q63 PolarHBondContact O-NE2 3.15Å
64	G	92.4	Very high	95.8	Very high	3 Å²	3	36 Å²	36	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	91.4	-155.6	170.6	0	0	0	0	0	114.3	T181 Q182	G64-T181 PolarHBondContact N-OG1 3Å; G64-T181 VanDerWaalsContact N-OG1 3.12Å; G64-Q182 VanDerWaalsContact C-CD 3.42Å; G64-Q182 VanDerWaalsContact CA-CD 3.48Å
65	Q	91.2	Very high	95.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-64.6	139.4	178.6	-178.5	52.5	39.1	0	0	110.6	Y57 E58 F67 Y86 Q161 Q182	Y57-Q65 CarbonylContact C-O 3.6Å; Y57-Q65 WeakPolarHBondContact CA-O 3.33Å; E58-Q65 HydrophobicContact CB-CB 4.18Å; E58-Q65 PolarHBondContact N-O 3.08Å; E58-Q65 PolarHBondContact OE2-N 2.85Å; Q65-F67 HydrophobicContact CB-CE2 4.33Å; Q65-F67 HydrophobicContact CB-CZ 3.9Å; Q65-F67 HydrophobicContact CG-CE1 3.74Å; Q65-F67 HydrophobicContact CG-CE2 4.27Å; Q65-F67 HydrophobicContact CG-CZ 3.56Å; Q65-F67 WeakPolarHBondContact O-CE2 3.36Å; Q65-Y86 HydrophobicContact CB-CD1 3.94Å; Q65-Y86 HydrophobicContact CB-CE1 4Å; Q65-Y86 HydrophobicContact CG-CD1 4Å; Q65-Q161 PolarHBondContact NE2-O 2.61Å; Q65-Q182 VanDerWaalsContact N-CD 3.26Å; Q65-Q182 VanDerWaalsContact N-OE1 3.14Å
66	Q	92.8	Very high	95.7	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.3	-179.9	-64.6	176.2	-6.6	0	0	111.7	L55 G56 Y57 I163 S180	L55-Q66 HydrophobicContact CD1-CB 3.94Å; L55-Q66 HydrophobicContact CD1-CG 4.49Å; G56-Q66 CarbonylContact O-C 3.52Å; G56-Q66 WeakPolarHBondContact O-CA 3.37Å; Y57-Q66 HydrophobicContact CD1-CG 3.95Å; Y57-Q66 HydrophobicContact CE1-CG 3.75Å; Q66-I163 HydrophobicContact CB-CD1 3.84Å; Q66-S180 PolarHBondContact NE2-OG 3.47Å
67	F	93.8	Very high	95.4	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.9	178.1	-49.7	-78.7	0	0	0	110.4	L55 G56 E58 Q65 W80 T88 M91	L55-F67 WeakPolarHBondContact CD1-O 3.45Å; G56-F67 PolarHBondContact N-O 3.08Å; G56-F67 PolarHBondContact O-N 2.67Å; E58-F67 HydrophobicContact CB-CE2 4.39Å; Q65-F67 HydrophobicContact CB-CE2 4.33Å; Q65-F67 HydrophobicContact CB-CZ 3.9Å; Q65-F67 HydrophobicContact CG-CE1 3.74Å; Q65-F67 HydrophobicContact CG-CE2 4.27Å; Q65-F67 HydrophobicContact CG-CZ 3.56Å; Q65-F67 WeakPolarHBondContact O-CE2 3.36Å; F67-W80 AromaticContact CD1-CD1 3.94Å; F67-W80 AromaticContact CG-CD1 3.96Å; F67-T88 HydrophobicContact CE1-CG2 4.26Å; F67-T88 HydrophobicContact CE2-CG2 4.4Å; F67-T88 HydrophobicContact CZ-CG2 3.49Å; F67-T88 VanDerWaalsContact CZ-CG2 3.49Å; F67-M91 HydrophobicContact CB-CE 3.99Å; F67-M91 HydrophobicContact CD2-CE 3.86Å; F67-M91 HydrophobicContact CG-CE 4.11Å
68	I	95.1	Very high	95.2	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.9	173	-170	59.2	0	0	0	110.6	P53 E70 I97 I194	P53-I68 HydrophobicContact CB-CD1 4.36Å; I68-E70 HydrophobicContact CG1-CG 4.14Å; I68-I97 HydrophobicContact CD1-CD1 3.43Å; I68-I97 VanDerWaalsContact CD1-CD1 3.43Å; I68-I194 HydrophobicContact CD1-CD1 3.67Å; I68-I194 HydrophobicContact CD1-CG1 3.99Å; I68-I194 HydrophobicContact CD1-CG2 3.8Å; I68-I194 HydrophobicContact CG1-CD1 4.36Å; I68-I194 HydrophobicContact CG1-CG1 4.25Å; I68-I194 HydrophobicContact CG1-CG2 4.37Å
69	L	96.9	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	88.7	-179.2	-60.1	173.5	0	0	0	109	I14 I47 V49 W54 Y74 W80 M91	I14-L69 HydrophobicContact CD1-CD1 3.92Å; I47-L69 HydrophobicContact CD1-CD1 4.02Å; I47-L69 HydrophobicContact CD1-CD2 4.23Å; V49-L69 HydrophobicContact CG2-CB 3.99Å; W54-L69 HydrophobicContact CB-CB 4.03Å; W54-L69 HydrophobicContact CB-CD1 4.39Å; W54-L69 PolarHBondContact N-O 3.03Å; W54-L69 WeakPolarHBondContact O-CB 3.34Å; W54-L69 PolarHBondContact O-N 2.86Å; L69-Y74 HydrophobicContact CD2-CD1 4.44Å; L69-Y74 HydrophobicContact CD2-CE1 4.2Å; L69-Y74 HydrophobicContact CD2-CE2 4.39Å; L69-W80 HydrophobicContact CD2-CB 3.57Å; L69-W80 HydrophobicContact CD2-CG 4.24Å; L69-M91 HydrophobicContact CD1-CE 4.03Å; L69-M91 HydrophobicContact CD1-SD 3.93Å; L69-M91 HydrophobicContact CD2-CE 4.28Å
70	E	96.2	Very high	94.8	Very high	27 Å²	27	46.1 Å²	46.1	13%	0.126	23%	0.231	C	C	.	.			trans	-79.7	172.2	174.1	-71.2	165.2	145.3	0	0	110.4	V49 P53 I68 G72 Y74 R192 I194 Q195	V49-E70 VanDerWaalsContact CB-O 3.31Å; V49-E70 WeakPolarHBondContact CB-O 3.47Å; P53-E70 HydrophobicContact CB-CG 4.36Å; I68-E70 HydrophobicContact CG1-CG 4.14Å; E70-G72 PolarHBondContact O-N 3.44Å; E70-Y74 PolarHBondContact N-OH 2.95Å; E70-Y74 WeakPolarHBondContact O-CE2 3.42Å; E70-Y74 PolarHBondContact O-OH 3.12Å; E70-Y74 VanDerWaalsContact O-OH 3.05Å; E70-R192 IonicContact OE1-CZ 3.44Å; E70-R192 IonicContact OE1-NH1 3.72Å; E70-R192 PolarHBondContact OE1-NH1 3.19Å; E70-R192 IonicContact OE1-NH2 3.79Å; E70-R192 IonicContact OE2-CZ 3.75Å; E70-R192 IonicContact OE2-NH1 3.62Å; E70-R192 PolarHBondContact OE2-NH1 3.44Å; E70-R192 IonicContact OE2-NH2 2.98Å; E70-R192 PolarHBondContact OE2-NH2 2.84Å; E70-I194 HydrophobicContact CG-CG2 4.45Å; E70-Q195 HydrophobicContact CG-CB 4.36Å; E70-Q195 WeakPolarHBondContact OE1-CB 3.49Å; E70-Q195 PolarHBondContact OE1-N 2.91Å
71	K	96.7	Very high	94.2	Very high	144 Å²	144	44.7 Å²	44.7	63%	0.626	22%	0.222	S	C	*	.	S	Bend	trans	-55.8	125.3	178.5	-178.8	174.1	-177	164.5	0	111	V49 E50	V49-K71 WeakPolarHBondContact O-CA 3.48Å; V49-K71 WeakPolarHBondContact O-CG 3.38Å; E50-K71 WeakPolarHBondContact O-CD 3.19Å; E50-K71 VanDerWaalsContact O-CE 3.27Å; E50-K71 WeakPolarHBondContact O-CE 3.44Å
72	G	97.3	Very high	92.7	Very high	26 Å²	26	40.6 Å²	40.6	27%	0.268	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-179.9	-178.8	0	0	0	0	0	114.9	V49 E70	V49-G72 PolarHBondContact N-O 3.46Å; V49-G72 PolarHBondContact O-N 3.06Å; E70-G72 PolarHBondContact O-N 3.44Å
73	D	98.3	Very high	91.4	Very high	97 Å²	97	43.4 Å²	43.4	52%	0.519	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.8	-179.8	-84.2	4.9	0	0	0	109.7	F22 K48 P75	F22-D73 HydrophobicContact CZ-CB 3.85Å; K48-D73 WeakPolarHBondContact CD-OD1 3.34Å; K48-D73 WeakPolarHBondContact CG-OD1 3.45Å; K48-D73 VanDerWaalsContact NZ-CG 3.28Å; K48-D73 IonicContact NZ-OD1 2.71Å; K48-D73 PolarHBondContact NZ-OD1 3.03Å; K48-D73 IonicContact NZ-OD2 3.14Å; K48-D73 PolarHBondContact NZ-OD2 2.97Å; D73-P75 WeakPolarHBondContact O-CD 3.23Å
74	Y	97.6	Very high	90.1	Very high	28 Å²	28	40 Å²	40	11%	0.11	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	87.8	-179.2	-60.7	-94.2	0	0	0	109.8	S46 I47 V49 L69 E70 R76 A79 W80	S46-Y74 CarbonylContact C-O 3.56Å; S46-Y74 VanDerWaalsContact CA-O 3.23Å; S46-Y74 WeakPolarHBondContact CA-O 3.37Å; S46-Y74 VanDerWaalsContact CB-O 3.26Å; S46-Y74 WeakPolarHBondContact CB-O 3.41Å; I47-Y74 HydrophobicContact CB-CD2 4.36Å; I47-Y74 HydrophobicContact CG2-CD2 4.37Å; I47-Y74 PolarHBondContact N-O 3.42Å; I47-Y74 WeakPolarHBondContact O-CA 3.37Å; I47-Y74 WeakPolarHBondContact O-CB 3.39Å; I47-Y74 PolarHBondContact O-N 3.29Å; V49-Y74 HydrophobicContact CG2-CD2 4.46Å; V49-Y74 HydrophobicContact CG2-CE2 3.98Å; L69-Y74 HydrophobicContact CD2-CD1 4.44Å; L69-Y74 HydrophobicContact CD2-CE1 4.2Å; L69-Y74 HydrophobicContact CD2-CE2 4.39Å; E70-Y74 PolarHBondContact N-OH 2.95Å; E70-Y74 WeakPolarHBondContact O-CE2 3.42Å; E70-Y74 PolarHBondContact O-OH 3.12Å; E70-Y74 VanDerWaalsContact O-OH 3.05Å; Y74-R76 VanDerWaalsContact C-N 3.27Å; Y74-R76 PolarHBondContact O-N 2.81Å; Y74-A79 HydrophobicContact CD1-CB 3.85Å; Y74-A79 HydrophobicContact CG-CB 4.4Å; Y74-W80 HydrophobicContact CD1-CB 3.96Å; Y74-W80 HydrophobicContact CD1-CE3 4.37Å; Y74-W80 HydrophobicContact CE1-CB 4.22Å; Y74-W80 HydrophobicContact CG-CE3 4.39Å
75	P	97.6	Very high	88.9	Confident	39 Å²	39	43.1 Å²	43.1	25%	0.253	24%	0.239	S	C	.	.			trans	-74.1	-13.7	-169.5	28.3	-35.9	0	0	0	114.5	E20 N21 F22 S46 D73	E20-P75 CarbonylContact C-O 3.34Å; E20-P75 WeakPolarHBondContact CA-O 3.22Å; E20-P75 WeakPolarHBondContact CB-O 3.39Å; N21-P75 PolarHBondContact N-O 3.2Å; F22-P75 HydrophobicContact CE2-CB 4.23Å; F22-P75 HydrophobicContact CZ-CB 3.97Å; S46-P75 WeakPolarHBondContact CB-O 3.26Å; D73-P75 WeakPolarHBondContact O-CD 3.23Å
76	R	95.3	Very high	88.1	Confident	116 Å²	116	45.9 Å²	45.9	44%	0.438	25%	0.25	S	C	.	.	S	Bend	trans	-159	165.2	-177.4	63.9	-177.1	81	-178.1	4.5	110.2	E20 R45 Y74 E78 A79 W80	E20-R76 HydrophobicContact CG-CB 4.24Å; R45-R76 WeakPolarHBondContact O-CA 3.32Å; Y74-R76 VanDerWaalsContact C-N 3.27Å; Y74-R76 PolarHBondContact O-N 2.81Å; R76-E78 VanDerWaalsContact C-N 3.27Å; R76-E78 WeakPolarHBondContact CB-OE2 3.04Å; R76-E78 WeakPolarHBondContact CD-OE2 3.44Å; R76-E78 HydrophobicContact CG-CB 4.41Å; R76-E78 WeakPolarHBondContact CG-OE2 3.45Å; R76-E78 PolarHBondContact O-N 3.04Å; R76-A79 WeakPolarHBondContact O-CB 3.39Å; R76-A79 PolarHBondContact O-N 2.84Å; R76-W80 VanDerWaalsContact O-CE3 3.22Å; R76-W80 WeakPolarHBondContact O-CZ3 3.47Å
77	Y	90.8	Very high	87.3	Confident	39 Å²	39	56 Å²	56	15%	0.153	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-172.8	79.7	-80.3	0	0	0	114.5	A79 W80 S81 E89	Y77-A79 PolarHBondContact O-N 3.44Å; Y77-A79 VanDerWaalsContact O-N 3.11Å; Y77-W80 VanDerWaalsContact CA-CE2 3.43Å; Y77-W80 PolarHBondContact O-N 2.98Å; Y77-W80 VanDerWaalsContact O-N 3.12Å; Y77-S81 WeakPolarHBondContact CD2-OG 3.42Å; Y77-S81 PolarHBondContact O-N 3.45Å; Y77-S81 PolarHBondContact O-OG 3.23Å; Y77-E89 HydrophobicContact CD1-CG 3.89Å; Y77-E89 HydrophobicContact CD2-CB 4.37Å; Y77-E89 HydrophobicContact CD2-CG 3.77Å; Y77-E89 HydrophobicContact CE1-CG 3.9Å; Y77-E89 HydrophobicContact CE2-CG 3.8Å; Y77-E89 HydrophobicContact CG-CB 4.31Å; Y77-E89 HydrophobicContact CG-CG 3.85Å
78	E	91.1	Very high	86.9	Confident	78 Å²	78	56.4 Å²	56.4	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-20.6	175.4	-58.6	90.2	160.6	0	0	112.9	R76 W80 G82	R76-E78 VanDerWaalsContact C-N 3.27Å; R76-E78 WeakPolarHBondContact CB-OE2 3.04Å; R76-E78 WeakPolarHBondContact CD-OE2 3.44Å; R76-E78 HydrophobicContact CG-CB 4.41Å; R76-E78 WeakPolarHBondContact CG-OE2 3.45Å; R76-E78 PolarHBondContact O-N 3.04Å; E78-W80 VanDerWaalsContact C-N 3.3Å; E78-W80 PolarHBondContact O-N 2.99Å; E78-G82 WeakPolarHBondContact O-CA 3.49Å; E78-G82 PolarHBondContact O-N 2.82Å
79	A	92.2	Very high	86.6	Confident	48 Å²	48	59.8 Å²	59.8	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-27.7	177.5	0	0	0	0	0	112.7	Y74 R76 Y77	Y74-A79 HydrophobicContact CD1-CB 3.85Å; Y74-A79 HydrophobicContact CG-CB 4.4Å; R76-A79 WeakPolarHBondContact O-CB 3.39Å; R76-A79 PolarHBondContact O-N 2.84Å; Y77-A79 PolarHBondContact O-N 3.44Å; Y77-A79 VanDerWaalsContact O-N 3.11Å
80	W	90.1	Very high	86.4	Confident	9 Å²	9	64.7 Å²	64.7	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-106.5	-23.5	175.5	61.3	85.8	0	0	0	113.5	I44 I47 F67 L69 Y74 R76 Y77 E78 M91	I44-W80 HydrophobicContact CG2-CH2 4.48Å; I47-W80 HydrophobicContact CD1-CD2 4.3Å; I47-W80 HydrophobicContact CD1-CE3 4.16Å; I47-W80 HydrophobicContact CD1-CH2 4.33Å; I47-W80 HydrophobicContact CD1-CZ2 4.47Å; I47-W80 HydrophobicContact CD1-CZ3 4.18Å; I47-W80 HydrophobicContact CG1-CH2 4.37Å; I47-W80 HydrophobicContact CG1-CZ3 4.15Å; F67-W80 AromaticContact CD1-CD1 3.94Å; F67-W80 AromaticContact CG-CD1 3.96Å; L69-W80 HydrophobicContact CD2-CB 3.57Å; L69-W80 HydrophobicContact CD2-CG 4.24Å; Y74-W80 HydrophobicContact CD1-CB 3.96Å; Y74-W80 HydrophobicContact CD1-CE3 4.37Å; Y74-W80 HydrophobicContact CE1-CB 4.22Å; Y74-W80 HydrophobicContact CG-CE3 4.39Å; R76-W80 VanDerWaalsContact O-CE3 3.22Å; R76-W80 WeakPolarHBondContact O-CZ3 3.47Å; Y77-W80 VanDerWaalsContact CA-CE2 3.43Å; Y77-W80 PolarHBondContact O-N 2.98Å; Y77-W80 VanDerWaalsContact O-N 3.12Å; E78-W80 VanDerWaalsContact C-N 3.3Å; E78-W80 PolarHBondContact O-N 2.99Å; W80-M91 HydrophobicContact CD2-CE 4.3Å; W80-M91 HydrophobicContact CG-CE 4Å
81	S	84.4	Confident	86.3	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-107.1	-11.2	-178	75.3	0	0	0	0	114.5	Y77 N83 S84	Y77-S81 WeakPolarHBondContact CD2-OG 3.42Å; Y77-S81 PolarHBondContact O-N 3.45Å; Y77-S81 PolarHBondContact O-OG 3.23Å; S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.77Å; S81-S84 WeakPolarHBondContact O-CA 3.49Å; S81-S84 WeakPolarHBondContact O-CB 3.42Å; S81-S84 PolarHBondContact O-N 2.82Å
82	G	66.6	Low	86.4	Confident	48 Å²	48	57.8 Å²	57.8	50%	0.495	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.6	-160.1	0	0	0	0	0	117.2	E78	E78-G82 WeakPolarHBondContact O-CA 3.49Å; E78-G82 PolarHBondContact O-N 2.82Å
83	N	67.9	Low	86.4	Confident	92 Å²	92	56.6 Å²	56.6	49%	0.492	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.2	172.8	-94	1.9	0	0	0	113.7	S81 Y157 R158 G159	S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.77Å; N83-Y157 WeakPolarHBondContact CB-O 3.36Å; N83-Y157 PolarHBondContact ND2-O 2.66Å; N83-Y157 VanDerWaalsContact ND2-O 3.11Å; N83-R158 HydrophobicContact CB-CG 4.3Å; N83-R158 CarbonylContact O-C 3.43Å; N83-R158 WeakPolarHBondContact O-CA 3.46Å; N83-G159 PolarHBondContact O-N 2.63Å
84	S	67.7	Low	86.4	Confident	14 Å²	14	52 Å²	52	10%	0.098	26%	0.261	C	S	.	.			trans	-76.7	135.7	177.5	-171.7	0	0	0	0	110.8	S81 Y86 G159	S81-S84 WeakPolarHBondContact O-CA 3.49Å; S81-S84 WeakPolarHBondContact O-CB 3.42Å; S81-S84 PolarHBondContact O-N 2.82Å; S84-Y86 WeakPolarHBondContact CB-O 3.29Å; S84-Y86 PolarHBondContact O-N 3.14Å; S84-Y86 WeakPolarHBondContact OG-CB 3.25Å; S84-Y86 PolarHBondContact OG-N 2.95Å; S84-Y86 PolarHBondContact OG-O 3.03Å; S84-G159 WeakPolarHBondContact CA-O 3.06Å
85	S	68.2	Low	86.4	Confident	67 Å²	67	51.1 Å²	51.1	47%	0.469	26%	0.258	S	S	.	.	S	Bend	trans	-69.7	-12.8	165.7	47.2	0	0	0	0	112	G159	S85-G159 WeakPolarHBondContact OG-CA 3.39Å
86	Y	74.4	Confident	86.4	Confident	59 Å²	59	49.7 Å²	49.7	23%	0.231	25%	0.249	C	C	.	.	S	Bend	trans	-99.7	110	178.1	-172.4	-100.6	0	0	0	110.3	E58 Q65 S84 T88 Y160	E58-Y86 WeakPolarHBondContact OE1-CE1 3.47Å; E58-Y86 PolarHBondContact OE1-OH 2.79Å; E58-Y86 VanDerWaalsContact OE1-OH 3.08Å; E58-Y86 WeakPolarHBondContact OE2-CE1 3.42Å; E58-Y86 PolarHBondContact OE2-OH 2.74Å; Q65-Y86 HydrophobicContact CB-CD1 3.94Å; Q65-Y86 HydrophobicContact CB-CE1 4Å; Q65-Y86 HydrophobicContact CG-CD1 4Å; S84-Y86 WeakPolarHBondContact CB-O 3.29Å; S84-Y86 PolarHBondContact O-N 3.14Å; S84-Y86 WeakPolarHBondContact OG-CB 3.25Å; S84-Y86 PolarHBondContact OG-N 2.95Å; S84-Y86 PolarHBondContact OG-O 3.03Å; Y86-T88 HydrophobicContact CD1-CG2 3.7Å; Y86-T88 HydrophobicContact CE1-CG2 3.56Å; Y86-T88 PolarHBondContact O-N 2.98Å; Y86-Y160 AromaticContact CD2-CE1 3.75Å; Y86-Y160 HydrophobicContact CD2-CE1 3.75Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.27Å; Y86-Y160 AromaticContact CG-CE1 3.71Å; Y86-Y160 HydrophobicContact CG-CE1 3.71Å
87	R	75.8	Confident	86.5	Confident	227 Å²	227	44.2 Å²	44.2	86%	0.857	23%	0.228	S	C	*	.			trans	-87.7	104.8	178.8	-66.3	-166.9	-178.8	-153.9	1.2	109.7
88	T	86	Confident	86.7	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	24%	0.243	C	C	.	.			trans	-135.9	141	168	-172.1	0	0	0	0	109	E58 F67 Y86 H90	E58-T88 HydrophobicContact CG-CG2 4.32Å; E58-T88 WeakPolarHBondContact OE1-CB 3.13Å; E58-T88 PolarHBondContact OE1-OG1 3.28Å; F67-T88 HydrophobicContact CE1-CG2 4.26Å; F67-T88 HydrophobicContact CE2-CG2 4.4Å; F67-T88 HydrophobicContact CZ-CG2 3.49Å; F67-T88 VanDerWaalsContact CZ-CG2 3.49Å; Y86-T88 HydrophobicContact CD1-CG2 3.7Å; Y86-T88 HydrophobicContact CE1-CG2 3.56Å; Y86-T88 PolarHBondContact O-N 2.98Å; T88-H90 PolarHBondContact OG1-N 3.28Å
89	E	87.9	Confident	86.8	Confident	82 Å²	82	45 Å²	45	38%	0.383	23%	0.234	S	C	.	.			trans	-95.3	-3.8	172	-62.5	-173.7	-164.4	0	0	111.3	R45 Y77	R45-E89 IonicContact CZ-OE2 3.98Å; R45-E89 IonicContact NH1-OE2 2.63Å; R45-E89 IonicContact NH2-OE2 3.77Å; R45-E89 PolarHBondContact NH2-OE2 2.9Å; Y77-E89 HydrophobicContact CD1-CG 3.89Å; Y77-E89 HydrophobicContact CD2-CB 4.37Å; Y77-E89 HydrophobicContact CD2-CG 3.77Å; Y77-E89 HydrophobicContact CE1-CG 3.9Å; Y77-E89 HydrophobicContact CE2-CG 3.8Å; Y77-E89 HydrophobicContact CG-CB 4.31Å; Y77-E89 HydrophobicContact CG-CG 3.85Å
90	H	91.8	Very high	86.9	Confident	103 Å²	103	43.3 Å²	43.3	48%	0.477	22%	0.22	S	C	.	.			trans	-86	129.5	-173.8	-62.2	-70.2	0	0	0	110.9	E58 T88	E58-H90 WeakPolarHBondContact CA-O 3.4Å; E58-H90 HydrophobicContact CG-CB 4.12Å; T88-H90 PolarHBondContact OG1-N 3.28Å
91	M	95.9	Very high	87.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.233	C	C	.	.			trans	-138.3	109.2	162.9	-176.4	-176.9	-60.3	0	0	106.8	I47 Y57 F67 L69 W80	I47-M91 HydrophobicContact CD1-CE 3.89Å; I47-M91 HydrophobicContact CD1-SD 3.68Å; Y57-M91 CarbonylContact O-C 3.59Å; Y57-M91 VanDerWaalsContact O-CA 3.27Å; Y57-M91 WeakPolarHBondContact O-CA 3.4Å; F67-M91 HydrophobicContact CB-CE 3.99Å; F67-M91 HydrophobicContact CD2-CE 3.86Å; F67-M91 HydrophobicContact CG-CE 4.11Å; L69-M91 HydrophobicContact CD1-CE 4.03Å; L69-M91 HydrophobicContact CD1-SD 3.93Å; L69-M91 HydrophobicContact CD2-CE 4.28Å; W80-M91 HydrophobicContact CD2-CE 4.3Å; W80-M91 HydrophobicContact CG-CE 4Å
92	L	97.2	Very high	87.4	Confident	26 Å²	26	47.7 Å²	47.7	14%	0.136	24%	0.242	C	C	.	.			trans	-115.2	-10.9	-169.3	-62.1	179.9	0	0	0	113.4	N35 I36 Y57 E58 P60	N35-L92 WeakPolarHBondContact CA-O 3.27Å; I36-L92 HydrophobicContact CD1-CD2 3.62Å; I36-L92 HydrophobicContact CG1-CD2 3.89Å; I36-L92 WeakPolarHBondContact CG2-O 3.4Å; I36-L92 PolarHBondContact N-O 3.47Å; Y57-L92 PolarHBondContact O-N 3.49Å; E58-L92 WeakPolarHBondContact O-CB 3.1Å; E58-L92 WeakPolarHBondContact O-CD1 3.29Å; E58-L92 VanDerWaalsContact O-CG 3.23Å; E58-L92 WeakPolarHBondContact O-CG 3.27Å; E58-L92 PolarHBondContact O-N 2.81Å; P60-L92 HydrophobicContact CG-CB 4.19Å; P60-L92 HydrophobicContact CG-CD1 4.36Å
93	S	98.3	Very high	88.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.2	170.2	66.6	0	0	0	0	111.3	C33 Q34 Y57 Y59 F62	C33-S93 CarbonylContact O-C 3.32Å; C33-S93 WeakPolarHBondContact O-CA 3.43Å; C33-S93 WeakPolarHBondContact O-CB 3.17Å; Q34-S93 VanDerWaalsContact O-CB 3.24Å; Q34-S93 WeakPolarHBondContact O-CB 3.33Å; Y57-S93 WeakPolarHBondContact CB-OG 3.4Å; Y57-S93 PolarHBondContact N-O 2.92Å; Y57-S93 PolarHBondContact O-N 2.87Å; Y59-S93 WeakPolarHBondContact O-CB 3.46Å; Y59-S93 PolarHBondContact O-OG 3.39Å; F62-S93 WeakPolarHBondContact CA-OG 3.15Å; F62-S93 PolarHBondContact N-OG 3.33Å
94	F	98.4	Very high	90	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157	177	51.6	-95.4	0	0	0	112.1	I14 V16 F29 E32 C33 I36 I44 W54 L55	I14-F94 HydrophobicContact CG2-CD2 4.14Å; I14-F94 HydrophobicContact CG2-CE2 3.77Å; V16-F94 HydrophobicContact CG1-CE1 4.19Å; V16-F94 HydrophobicContact CG1-CZ 4.24Å; F29-F94 HydrophobicContact CB-CE2 3.78Å; F29-F94 HydrophobicContact CB-CZ 4.27Å; F29-F94 AromaticContact CD1-CE2 3.91Å; F29-F94 HydrophobicContact CD1-CE2 3.91Å; F29-F94 AromaticContact CD1-CZ 3.81Å; F29-F94 HydrophobicContact CD1-CZ 3.81Å; F29-F94 AromaticContact CD2-CE2 3.91Å; F29-F94 HydrophobicContact CD2-CE2 3.91Å; F29-F94 AromaticContact CD2-CZ 3.51Å; F29-F94 HydrophobicContact CD2-CZ 3.51Å; F29-F94 HydrophobicContact CE1-CE2 4.45Å; F29-F94 AromaticContact CE1-CZ 3.91Å; F29-F94 HydrophobicContact CE1-CZ 3.91Å; F29-F94 HydrophobicContact CE2-CE2 4.47Å; F29-F94 AromaticContact CE2-CZ 3.65Å; F29-F94 HydrophobicContact CE2-CZ 3.65Å; F29-F94 AromaticContact CG-CE2 3.6Å; F29-F94 HydrophobicContact CG-CE2 3.6Å; F29-F94 AromaticContact CG-CZ 3.6Å; F29-F94 HydrophobicContact CG-CZ 3.6Å; F29-F94 AromaticContact CZ-CZ 3.83Å; F29-F94 HydrophobicContact CZ-CZ 3.83Å; E32-F94 CarbonylContact C-O 3.57Å; E32-F94 WeakPolarHBondContact CA-O 3.4Å; C33-F94 HydrophobicContact CB-CD1 4.47Å; C33-F94 HydrophobicContact CB-CD2 4.21Å; C33-F94 HydrophobicContact CB-CE1 4.01Å; C33-F94 HydrophobicContact CB-CE2 3.71Å; C33-F94 HydrophobicContact CB-CZ 3.6Å; C33-F94 PolarHBondContact N-O 3.49Å; C33-F94 PolarHBondContact O-N 3.37Å; I36-F94 HydrophobicContact CG2-CD1 4.4Å; I36-F94 HydrophobicContact CG2-CE1 3.81Å; I44-F94 HydrophobicContact CD1-CD1 4.28Å; I44-F94 HydrophobicContact CD1-CE1 3.87Å; W54-F94 AromaticContact CE3-CD2 3.77Å; W54-F94 HydrophobicContact CE3-CD2 3.77Å; W54-F94 HydrophobicContact CE3-CE2 4.45Å; W54-F94 AromaticContact CZ3-CD2 3.8Å; W54-F94 HydrophobicContact CZ3-CD2 3.8Å; W54-F94 HydrophobicContact CZ3-CE2 4.14Å; L55-F94 CarbonylContact O-C 3.56Å; L55-F94 WeakPolarHBondContact O-CA 3.22Å; L55-F94 WeakPolarHBondContact O-CB 3.2Å
95	R	97.9	Very high	91.4	Very high	11 Å²	11	50.5 Å²	50.5	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158	178.9	67.8	178.4	175	82.5	-4.1	112.2	E32 W54 L55 Y57 F62 E165	E32-R95 HydrophobicContact CB-CB 3.59Å; W54-R95 CarbonylContact C-O 3.58Å; W54-R95 WeakPolarHBondContact CA-O 3.48Å; L55-R95 HydrophobicContact CB-CG 4.38Å; L55-R95 PolarHBondContact N-O 2.84Å; L55-R95 PolarHBondContact O-N 2.85Å; Y57-R95 HydrophobicContact CE2-CG 4.16Å; Y57-R95 PolarHBondContact OH-NE 3.37Å; Y57-R95 PolarHBondContact OH-NH2 2.86Å; F62-R95 HydrophobicContact CE1-CB 3.99Å; F62-R95 HydrophobicContact CZ-CB 4.37Å; R95-E165 IonicContact CZ-OE1 3.75Å; R95-E165 VanDerWaalsContact CZ-OE1 3.3Å; R95-E165 IonicContact CZ-OE2 3.57Å; R95-E165 IonicContact NH1-OE1 3.55Å; R95-E165 PolarHBondContact NH1-OE1 3.33Å; R95-E165 VanDerWaalsContact NH1-OE1 3.14Å; R95-E165 IonicContact NH1-OE2 2.72Å; R95-E165 PolarHBondContact NH1-OE2 2.84Å; R95-E165 IonicContact NH2-OE1 3Å; R95-E165 PolarHBondContact NH2-OE1 3.44Å; R95-E165 IonicContact NH2-OE2 2.7Å
96	P	97.4	Very high	92.8	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	152.4	170.5	29.1	-34.7	0	0	0	111.8	F12 W54	F12-P96 HydrophobicContact CB-CB 4.16Å; F12-P96 HydrophobicContact CD1-CB 3.49Å; F12-P96 VanDerWaalsContact CD1-CB 3.49Å; F12-P96 HydrophobicContact CD2-CB 3.79Å; F12-P96 HydrophobicContact CD2-CG 4.45Å; F12-P96 HydrophobicContact CE1-CB 3.73Å; F12-P96 HydrophobicContact CE2-CB 4.03Å; F12-P96 HydrophobicContact CG-CB 3.52Å; F12-P96 HydrophobicContact CG-CG 4.47Å; F12-P96 HydrophobicContact CZ-CB 4.01Å; W54-P96 HydrophobicContact CE3-CB 4.46Å
97	I	96.8	Very high	94	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.235	C	C	.	.			trans	-103.2	102.3	170.2	-60.4	176.9	0	0	0	107.7	P53 L55 I68 A100 A148 I163 E165 I194	P53-I97 HydrophobicContact CB-CD1 4.48Å; P53-I97 HydrophobicContact CG-CB 4.08Å; P53-I97 PolarHBondContact O-N 2.83Å; L55-I97 HydrophobicContact CB-CD1 4.02Å; L55-I97 HydrophobicContact CB-CG1 3.94Å; I68-I97 HydrophobicContact CD1-CD1 3.43Å; I68-I97 VanDerWaalsContact CD1-CD1 3.43Å; I97-A100 HydrophobicContact CG2-CB 3.88Å; I97-A148 HydrophobicContact CG2-CB 3.63Å; I97-I163 HydrophobicContact CD1-CG2 4.09Å; I97-E165 HydrophobicContact CG2-CG 4.01Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.44Å; I97-I194 HydrophobicContact CD1-CD1 3.94Å
98	K	94.5	Very high	95	Very high	108 Å²	108	37.2 Å²	37.2	47%	0.47	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-29.5	-169.2	-62.4	-174.4	-177.3	-173.2	0	113.7	F12 A100	F12-K98 HydrophobicContact CE2-CG 4.32Å; F12-K98 HydrophobicContact CZ-CG 4.43Å; K98-A100 VanDerWaalsContact C-N 3.35Å
99	C	94.6	Very high	95.6	Very high	25 Å²	25	36.8 Å²	36.8	17%	0.169	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.6	-177.3	65.5	0	0	0	0	114	N101 G147 R166 D167	C99-N101 PolarHBondContact O-N 2.85Å; C99-G147 CarbonylContact O-C 3.48Å; C99-G147 WeakPolarHBondContact O-CA 3.46Å; C99-R166 HydrophobicContact CB-CB 4.42Å; C99-D167 HydrophobicContact CB-CB 4.18Å; C99-D167 VanDerWaalsContact SG-CG 3.59Å; C99-D167 PolarHBondContact SG-OD1 2.96Å
100	A	94.1	Very high	96.1	Very high	12 Å²	12	34.4 Å²	34.4	10%	0.099	18%	0.18	C	C	.	.			trans	-64	119.2	177.4	0	0	0	0	0	110.7	P53 I97 K98 A148 I194 H196	P53-A100 HydrophobicContact CG-CB 3.36Å; I97-A100 HydrophobicContact CG2-CB 3.88Å; K98-A100 VanDerWaalsContact C-N 3.35Å; A100-A148 HydrophobicContact CB-CB 4.19Å; A100-I194 HydrophobicContact CB-CG2 4.1Å; A100-H196 HydrophobicContact CB-CB 4.31Å
101	N	93.3	Very high	96.4	Very high	58 Å²	58	32 Å²	32	31%	0.31	17%	0.169	S	C	.	.			trans	-146.4	96.9	175.4	-178.4	-15	0	0	0	107.6	C99 S103 D104 S105	C99-N101 PolarHBondContact O-N 2.85Å; N101-S103 VanDerWaalsContact C-N 3.31Å; N101-S103 PolarHBondContact O-N 2.75Å; N101-S103 PolarHBondContact OD1-N 3.38Å; N101-S103 PolarHBondContact OD1-OG 3.44Å; N101-D104 CarbonylContact O-C 3.51Å; N101-D104 PolarHBondContact O-N 2.97Å; N101-D104 PolarHBondContact OD1-N 3.44Å; N101-S105 PolarHBondContact O-N 2.89Å; N101-S105 PolarHBondContact O-OG 2.86Å
102	H	91.9	Very high	96.5	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.227	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.2	-41.4	-171.8	-173.9	79.5	0	0	0	112.2	D104 D125 R193 H196	H102-D104 VanDerWaalsContact C-N 3.34Å; H102-D104 PolarHBondContact O-N 2.62Å; H102-D125 IonicContact CE1-OD2 3.62Å; H102-R193 PolarHBondContact CE1-NE 3.06Å; H102-H196 PolarHBondContact N-ND1 3.41Å
103	S	93.3	Very high	96.5	Very high	108 Å²	108	37.3 Å²	37.3	76%	0.755	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-74	-20	-177.1	44.1	0	0	0	0	115	N101	N101-S103 VanDerWaalsContact C-N 3.31Å; N101-S103 PolarHBondContact O-N 2.75Å; N101-S103 PolarHBondContact OD1-N 3.38Å; N101-S103 PolarHBondContact OD1-OG 3.44Å
104	D	94.3	Very high	96.5	Very high	101 Å²	101	40.6 Å²	40.6	54%	0.54	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-123.6	32.4	-178.3	-170.8	36.8	0	0	0	110.9	N101 H102 S146	N101-D104 CarbonylContact O-C 3.51Å; N101-D104 PolarHBondContact O-N 2.97Å; N101-D104 PolarHBondContact OD1-N 3.44Å; H102-D104 VanDerWaalsContact C-N 3.34Å; H102-D104 PolarHBondContact O-N 2.62Å; D104-S146 WeakPolarHBondContact O-CB 3.37Å; D104-S146 PolarHBondContact O-OG 3.14Å
105	S	97	Very high	96.5	Very high	5 Å²	5	42 Å²	42	4%	0.035	22%	0.223	C	C	.	.			trans	-86	128.4	176.8	-73.3	0	0	0	0	110.8	N101	N101-S105 PolarHBondContact O-N 2.89Å; N101-S105 PolarHBondContact O-OG 2.86Å
106	K	98.3	Very high	96.5	Very high	70 Å²	70	47.2 Å²	47.2	30%	0.304	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.8	176.2	-178.7	175	159.1	152.8	0	111	E121 M122 N145 S146	K106-E121 HydrophobicContact CD-CG 4.48Å; K106-E121 WeakPolarHBondContact CE-OE1 3.41Å; K106-E121 WeakPolarHBondContact CE-OE2 3.36Å; K106-E121 HydrophobicContact CG-CG 4.33Å; K106-E121 IonicContact NZ-OE1 3.72Å; K106-E121 PolarHBondContact NZ-OE1 2.8Å; K106-E121 IonicContact NZ-OE2 3.43Å; K106-E121 PolarHBondContact NZ-OE2 2.7Å; K106-M122 WeakPolarHBondContact CA-O 3.44Å; K106-N145 HydrophobicContact CB-CB 4.05Å; K106-N145 HydrophobicContact CD-CB 4.2Å; K106-N145 HydrophobicContact CG-CB 3.91Å; K106-N145 WeakPolarHBondContact O-CB 3.27Å; K106-N145 PolarHBondContact O-N 2.81Å; K106-S146 WeakPolarHBondContact CB-OG 3.37Å; K106-S146 PolarHBondContact N-O 2.96Å; K106-S146 PolarHBondContact N-OG 2.82Å; K106-S146 VanDerWaalsContact N-OG 3.14Å; K106-S146 PolarHBondContact O-N 2.81Å; K106-S146 VanDerWaalsContact O-N 3.13Å
107	V	98.6	Very high	96.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.6	179.9	67.8	0	0	0	0	111	L109 E121 M122 I142 K143 V144 W149 I191	V107-L109 HydrophobicContact CG2-CD2 4.2Å; V107-E121 WeakPolarHBondContact O-CA 3.22Å; V107-M122 HydrophobicContact CG1-CB 3.81Å; V107-M122 PolarHBondContact N-O 2.9Å; V107-M122 PolarHBondContact O-N 2.83Å; V107-I142 HydrophobicContact CG2-CG2 3.35Å; V107-K143 CarbonylContact C-O 3.53Å; V107-K143 WeakPolarHBondContact CA-O 3.5Å; V107-V144 HydrophobicContact CG2-CG2 4.39Å; V107-W149 HydrophobicContact CB-CD2 3.94Å; V107-W149 HydrophobicContact CB-CG 4.23Å; V107-W149 HydrophobicContact CB-CZ2 3.93Å; V107-W149 HydrophobicContact CG1-CD2 3.7Å; V107-W149 HydrophobicContact CG1-CE3 3.83Å; V107-W149 HydrophobicContact CG1-CG 4.42Å; V107-W149 HydrophobicContact CG1-CH2 3.66Å; V107-W149 HydrophobicContact CG1-CZ2 3.56Å; V107-W149 HydrophobicContact CG1-CZ3 3.8Å; V107-I191 HydrophobicContact CG1-CD1 4.22Å; V107-I191 HydrophobicContact CG2-CD1 4.45Å
108	T	98.6	Very high	96.4	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.025	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.7	173.9	-51.9	0	0	0	0	109.6	Y110 K119 F120 I142 K143 N145	T108-Y110 HydrophobicContact CG2-CD2 4.2Å; T108-Y110 HydrophobicContact CG2-CE1 4.34Å; T108-Y110 HydrophobicContact CG2-CE2 3.52Å; T108-K119 HydrophobicContact CG2-CB 3.89Å; T108-K119 HydrophobicContact CG2-CD 4.17Å; T108-K119 HydrophobicContact CG2-CG 4.44Å; T108-F120 CarbonylContact C-O 3.5Å; T108-F120 WeakPolarHBondContact CA-O 3.24Å; T108-I142 WeakPolarHBondContact O-CA 3.23Å; T108-K143 PolarHBondContact N-O 2.72Å; T108-K143 PolarHBondContact O-N 2.93Å; T108-N145 PolarHBondContact N-OD1 2.97Å; T108-N145 PolarHBondContact OG1-OD1 2.72Å
109	L	98.4	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146.3	172.5	-46.8	-175	0	0	0	109.7	V107 K119 F120 M122 L129 W134 V139 I142 I191	V107-L109 HydrophobicContact CG2-CD2 4.2Å; L109-K119 CarbonylContact O-C 3.56Å; L109-K119 WeakPolarHBondContact O-CA 3.45Å; L109-F120 PolarHBondContact N-O 3.05Å; L109-F120 PolarHBondContact O-N 3.16Å; L109-M122 HydrophobicContact CD1-SD 3.46Å; L109-M122 WeakPolarHBondContact CD1-SD 3.1Å; L109-M122 HydrophobicContact CD2-SD 4.46Å; L109-M122 HydrophobicContact CG-SD 3.69Å; L109-L129 HydrophobicContact CD1-CD1 3.83Å; L109-L129 HydrophobicContact CD1-CD2 3.85Å; L109-W134 HydrophobicContact CB-CE3 4.48Å; L109-W134 HydrophobicContact CB-CH2 3.84Å; L109-W134 HydrophobicContact CB-CZ2 4.42Å; L109-W134 HydrophobicContact CB-CZ3 3.87Å; L109-V139 HydrophobicContact CB-CG1 3.9Å; L109-V139 HydrophobicContact CD1-CG1 4.46Å; L109-V139 HydrophobicContact CD1-CG2 4.16Å; L109-V139 HydrophobicContact CD2-CG1 4.12Å; L109-V139 HydrophobicContact CG-CG1 4.36Å; L109-I142 HydrophobicContact CD2-CB 4.46Å; L109-I142 HydrophobicContact CD2-CD1 3.93Å; L109-I142 HydrophobicContact CD2-CG1 3.71Å; L109-I142 HydrophobicContact CD2-CG2 4.04Å; L109-I191 HydrophobicContact CD2-CD1 4.23Å
110	Y	98.4	Very high	96.6	Very high	31 Å²	31	60 Å²	60	12%	0.122	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.3	179.3	-66.5	-95.6	0	0	0	111.2	T108 C112 F115 K119 W134 P140 S141 K143	T108-Y110 HydrophobicContact CG2-CD2 4.2Å; T108-Y110 HydrophobicContact CG2-CE1 4.34Å; T108-Y110 HydrophobicContact CG2-CE2 3.52Å; Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 2.9Å; Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.38Å; Y110-F115 HydrophobicContact CD2-CB 4.13Å; Y110-F115 AromaticContact CD2-CD1 3.67Å; Y110-F115 HydrophobicContact CD2-CD1 3.67Å; Y110-F115 HydrophobicContact CD2-CG 4.33Å; Y110-F115 HydrophobicContact CE1-CB 3.72Å; Y110-F115 VanDerWaalsContact CE1-O 3.27Å; Y110-F115 WeakPolarHBondContact CE1-O 3.33Å; Y110-F115 HydrophobicContact CE2-CB 3.98Å; Y110-F115 AromaticContact CE2-CD1 3.71Å; Y110-F115 HydrophobicContact CE2-CD1 3.71Å; Y110-F115 HydrophobicContact CE2-CG 4.12Å; Y110-F115 HydrophobicContact CG-CB 4.09Å; Y110-F115 HydrophobicContact CG-CD1 4.29Å; Y110-K119 HydrophobicContact CD1-CB 3.87Å; Y110-K119 HydrophobicContact CE1-CB 3.84Å; Y110-K119 HydrophobicContact CE1-CD 4.31Å; Y110-W134 VanDerWaalsContact C-CH2 3.49Å; Y110-P140 WeakPolarHBondContact O-CD 3.38Å; Y110-S141 WeakPolarHBondContact CB-OG 3.48Å; Y110-S141 PolarHBondContact N-O 3.15Å; Y110-K143 HydrophobicContact CE2-CB 3.92Å
111	E	96.9	Very high	96.7	Very high	53 Å²	53	64.3 Å²	64.3	25%	0.248	33%	0.329	C	S	.	.	S	Bend	trans	-73.2	-19.3	-177.4	-76	-170	143.2	0	0	113.9	R118 W134 P140	E111-R118 HydrophobicContact CG-CB 4.08Å; E111-R118 PolarHBondContact N-O 3.48Å; E111-R118 IonicContact OE1-CZ 2.79Å; E111-R118 IonicContact OE1-NE 3.28Å; E111-R118 PolarHBondContact OE1-NE 3.37Å; E111-R118 IonicContact OE1-NH2 2.74Å; E111-R118 PolarHBondContact OE1-NH2 3.3Å; E111-R118 WeakPolarHBondContact OE2-CB 3.08Å; E111-R118 VanDerWaalsContact OE2-CG 3.24Å; E111-R118 WeakPolarHBondContact OE2-CG 2.95Å; E111-R118 IonicContact OE2-CZ 2.83Å; E111-R118 PolarHBondContact OE2-N 2.99Å; E111-R118 IonicContact OE2-NE 2.63Å; E111-R118 PolarHBondContact OE2-NE 2.79Å; E111-R118 IonicContact OE2-NH2 3.09Å; E111-W134 HydrophobicContact CG-CH2 3.89Å; E111-W134 HydrophobicContact CG-CZ2 4.29Å; E111-W134 HydrophobicContact CG-CZ3 4.41Å; E111-P140 WeakPolarHBondContact O-CG 3.43Å
112	C	97.9	Very high	96.8	Very high	60 Å²	60	61.7 Å²	61.7	41%	0.405	32%	0.315	S	S	.	.	S	Bend	trans	-129.2	166.1	179.9	-61.7	0	0	0	0	110.2	Y110 Q116 S141	Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 2.9Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-Q116 PolarHBondContact N-O 3.43Å; C112-S141 PolarHBondContact O-OG 3.12Å
113	E	98	Very high	97	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.2	165.7	170.7	-61.7	-172.5	163.2	0	0	110.6	F115 Q116 P140 R174 H175	E113-F115 PolarHBondContact O-N 2.68Å; E113-F115 VanDerWaalsContact O-N 3.11Å; E113-Q116 PolarHBondContact O-N 3.02Å; E113-P140 HydrophobicContact CG-CB 3.7Å; E113-R174 WeakPolarHBondContact CA-O 3.42Å; E113-H175 VanDerWaalsContact CD-ND1 3.29Å; E113-H175 IonicContact OE1-ND1 2.9Å; E113-H175 IonicContact OE2-CE1 3.46Å; E113-H175 PolarHBondContact OE2-CE1 3Å; E113-H175 IonicContact OE2-ND1 3.53Å; E113-H175 PolarHBondContact OE2-ND1 3.09Å
114	D	98.2	Very high	97.2	Very high	69 Å²	69	61.2 Å²	61.2	37%	0.369	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	54.5	32.4	179	-72	-57.9	0	0	0	114.6	Q116 R174 H175	D114-Q116 VanDerWaalsContact C-N 3.26Å; D114-Q116 HydrophobicContact CB-CG 4.49Å; D114-Q116 PolarHBondContact O-N 3.43Å; D114-Q116 PolarHBondContact O-NE2 2.88Å; D114-R174 PolarHBondContact N-O 3.03Å; D114-R174 IonicContact OD1-NH1 2.82Å; D114-H175 IonicContact OD1-NE2 3.84Å; D114-H175 IonicContact OD2-CE1 3.61Å; D114-H175 IonicContact OD2-NE2 2.87Å
115	F	98.2	Very high	97.4	Very high	30 Å²	30	58.9 Å²	58.9	13%	0.132	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	60	32.7	176.7	-45.1	-47.6	0	0	0	114.1	Y110 E113 S141 I142 K143 E172 Y173 R174	Y110-F115 HydrophobicContact CD1-CB 3.91Å; Y110-F115 WeakPolarHBondContact CD1-O 3.38Å; Y110-F115 HydrophobicContact CD2-CB 4.13Å; Y110-F115 AromaticContact CD2-CD1 3.67Å; Y110-F115 HydrophobicContact CD2-CD1 3.67Å; Y110-F115 HydrophobicContact CD2-CG 4.33Å; Y110-F115 HydrophobicContact CE1-CB 3.72Å; Y110-F115 VanDerWaalsContact CE1-O 3.27Å; Y110-F115 WeakPolarHBondContact CE1-O 3.33Å; Y110-F115 HydrophobicContact CE2-CB 3.98Å; Y110-F115 AromaticContact CE2-CD1 3.71Å; Y110-F115 HydrophobicContact CE2-CD1 3.71Å; Y110-F115 HydrophobicContact CE2-CG 4.12Å; Y110-F115 HydrophobicContact CG-CB 4.09Å; Y110-F115 HydrophobicContact CG-CD1 4.29Å; E113-F115 PolarHBondContact O-N 2.68Å; E113-F115 VanDerWaalsContact O-N 3.11Å; F115-S141 WeakPolarHBondContact CD1-OG 3.3Å; F115-S141 PolarHBondContact N-OG 2.97Å; F115-S141 VanDerWaalsContact N-OG 3.13Å; F115-I142 WeakPolarHBondContact CE1-O 3.34Å; F115-K143 HydrophobicContact CE1-CB 4.35Å; F115-E172 HydrophobicContact CE2-CB 3.98Å; F115-E172 HydrophobicContact CE2-CG 4.09Å; F115-E172 HydrophobicContact CZ-CB 3.65Å; F115-E172 HydrophobicContact CZ-CG 4.09Å; F115-Y173 WeakPolarHBondContact CE1-O 3.43Å; F115-R174 HydrophobicContact CD2-CG 4.43Å; F115-R174 HydrophobicContact CE1-CG 4.29Å; F115-R174 HydrophobicContact CE2-CG 3.57Å; F115-R174 HydrophobicContact CZ-CB 4.38Å; F115-R174 HydrophobicContact CZ-CG 3.46Å; F115-R174 VanDerWaalsContact CZ-CG 3.46Å
116	Q	98.2	Very high	97.4	Very high	121 Å²	121	60.1 Å²	60.1	57%	0.565	30%	0.302	S	S	*	.			trans	-95.4	167.8	178.5	-57.4	-55.3	-53.7	0	0	112.6	C112 E113 D114	C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-Q116 PolarHBondContact N-O 3.43Å; E113-Q116 PolarHBondContact O-N 3.02Å; D114-Q116 VanDerWaalsContact C-N 3.26Å; D114-Q116 HydrophobicContact CB-CG 4.49Å; D114-Q116 PolarHBondContact O-N 3.43Å; D114-Q116 PolarHBondContact O-NE2 2.88Å
117	G	96.6	Very high	97.3	Very high	55 Å²	55	60 Å²	60	57%	0.567	31%	0.309	S	S	*	.	S	Bend	trans	80.5	-161.7	177.1	0	0	0	0	0	113.6
118	R	95.8	Very high	97.3	Very high	154 Å²	154	61.5 Å²	61.5	58%	0.581	32%	0.319	S	S	*	.			trans	-68.7	150.6	175	-57.6	179.9	-73.4	175.5	-0	109.4	E111	E111-R118 HydrophobicContact CG-CB 4.08Å; E111-R118 PolarHBondContact N-O 3.48Å; E111-R118 IonicContact OE1-CZ 2.79Å; E111-R118 IonicContact OE1-NE 3.28Å; E111-R118 PolarHBondContact OE1-NE 3.37Å; E111-R118 IonicContact OE1-NH2 2.74Å; E111-R118 PolarHBondContact OE1-NH2 3.3Å; E111-R118 WeakPolarHBondContact OE2-CB 3.08Å; E111-R118 VanDerWaalsContact OE2-CG 3.24Å; E111-R118 WeakPolarHBondContact OE2-CG 2.95Å; E111-R118 IonicContact OE2-CZ 2.83Å; E111-R118 PolarHBondContact OE2-N 2.99Å; E111-R118 IonicContact OE2-NE 2.63Å; E111-R118 PolarHBondContact OE2-NE 2.79Å; E111-R118 IonicContact OE2-NH2 3.09Å
119	K	96.3	Very high	97.3	Very high	142 Å²	142	61.5 Å²	61.5	62%	0.617	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.4	178.2	68.5	177.3	-178.4	173.7	0	111.4	T108 L109 Y110	T108-K119 HydrophobicContact CG2-CB 3.89Å; T108-K119 HydrophobicContact CG2-CD 4.17Å; T108-K119 HydrophobicContact CG2-CG 4.44Å; L109-K119 CarbonylContact O-C 3.56Å; L109-K119 WeakPolarHBondContact O-CA 3.45Å; Y110-K119 HydrophobicContact CD1-CB 3.87Å; Y110-K119 HydrophobicContact CE1-CB 3.84Å; Y110-K119 HydrophobicContact CE1-CD 4.31Å
120	F	96.3	Very high	97.2	Very high	61 Å²	61	64.1 Å²	64.1	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.2	173.5	-155	-48.8	0	0	0	108.7	T108 L109 M122 M132 W134	T108-F120 CarbonylContact C-O 3.5Å; T108-F120 WeakPolarHBondContact CA-O 3.24Å; L109-F120 PolarHBondContact N-O 3.05Å; L109-F120 PolarHBondContact O-N 3.16Å; F120-M122 HydrophobicContact CD1-CG 3.66Å; F120-M122 HydrophobicContact CD1-SD 4.35Å; F120-M122 HydrophobicContact CE1-CG 4.17Å; F120-M132 WeakPolarHBondContact CE2-O 3.4Å; F120-M132 HydrophobicContact CZ-CB 4.33Å; F120-M132 VanDerWaalsContact CZ-O 3.3Å; F120-M132 WeakPolarHBondContact CZ-O 3.49Å; F120-W134 HydrophobicContact CB-CE3 3.76Å; F120-W134 HydrophobicContact CB-CZ3 3.72Å; F120-W134 HydrophobicContact CD2-CE3 4.12Å; F120-W134 HydrophobicContact CG-CE3 4.38Å
121	E	96.9	Very high	97	Very high	101 Å²	101	66.5 Å²	66.5	47%	0.472	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.9	177.3	-171	180	105.9	0	0	110.7	K106 V107	K106-E121 HydrophobicContact CD-CG 4.48Å; K106-E121 WeakPolarHBondContact CE-OE1 3.41Å; K106-E121 WeakPolarHBondContact CE-OE2 3.36Å; K106-E121 HydrophobicContact CG-CG 4.33Å; K106-E121 IonicContact NZ-OE1 3.72Å; K106-E121 PolarHBondContact NZ-OE1 2.8Å; K106-E121 IonicContact NZ-OE2 3.43Å; K106-E121 PolarHBondContact NZ-OE2 2.7Å; V107-E121 WeakPolarHBondContact O-CA 3.22Å
122	M	95	Very high	96.9	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.7	-165.4	-56	174.6	67.2	0	0	110.4	K106 V107 L109 F120 Y126 L129 I191	K106-M122 WeakPolarHBondContact CA-O 3.44Å; V107-M122 HydrophobicContact CG1-CB 3.81Å; V107-M122 PolarHBondContact N-O 2.9Å; V107-M122 PolarHBondContact O-N 2.83Å; L109-M122 HydrophobicContact CD1-SD 3.46Å; L109-M122 WeakPolarHBondContact CD1-SD 3.1Å; L109-M122 HydrophobicContact CD2-SD 4.46Å; L109-M122 HydrophobicContact CG-SD 3.69Å; F120-M122 HydrophobicContact CD1-CG 3.66Å; F120-M122 HydrophobicContact CD1-SD 4.35Å; F120-M122 HydrophobicContact CE1-CG 4.17Å; M122-Y126 HydrophobicContact CB-CD2 4.39Å; M122-Y126 HydrophobicContact CB-CE2 3.74Å; M122-Y126 HydrophobicContact CE-CD1 3.91Å; M122-Y126 HydrophobicContact CE-CD2 2.93Å; M122-Y126 HydrophobicContact CE-CE1 4.19Å; M122-Y126 HydrophobicContact CE-CE2 3.3Å; M122-Y126 HydrophobicContact CE-CG 3.23Å; M122-Y126 HydrophobicContact CG-CE2 4.15Å; M122-L129 HydrophobicContact CE-CD2 3.45Å; M122-L129 VanDerWaalsContact CE-CD2 3.45Å; M122-L129 HydrophobicContact SD-CD2 4.01Å; M122-I191 HydrophobicContact CE-CG2 3.56Å; M122-I191 HydrophobicContact SD-CG2 4.33Å
123	C	96.6	Very high	96.6	Very high	71 Å²	71	68.2 Å²	68.2	48%	0.48	37%	0.373	S	S	.	.			trans	-130	1.8	179.2	57.1	0	0	0	0	113.9	R193	C123-R193 WeakPolarHBondContact O-CD 3.1Å; C123-R193 PolarHBondContact O-NH1 3.35Å
124	D	96.8	Very high	96.5	Very high	76 Å²	76	65 Å²	65	41%	0.406	36%	0.358	S	S	.	.	S	Bend	trans	-126.1	-178.6	-178.3	-74	-60.1	0	0	0	112.6	Y126 W149 R193	D124-Y126 VanDerWaalsContact C-CE2 3.47Å; D124-Y126 HydrophobicContact CB-CE2 4.02Å; D124-Y126 WeakPolarHBondContact O-CD2 3.36Å; D124-Y126 WeakPolarHBondContact O-CE2 3.45Å; D124-W149 WeakPolarHBondContact O-CH2 3.44Å; D124-W149 VanDerWaalsContact O-CZ3 3.22Å; D124-W149 WeakPolarHBondContact O-CZ3 3.32Å; D124-R193 IonicContact OD1-CZ 3.71Å; D124-R193 IonicContact OD1-NH1 2.76Å; D124-R193 PolarHBondContact OD1-NH1 2.63Å; D124-R193 IonicContact OD1-NH2 3.41Å; D124-R193 PolarHBondContact OD1-NH2 2.98Å
125	D	97.9	Very high	96.3	Very high	51 Å²	51	66.3 Å²	66.3	27%	0.273	37%	0.371	S	S	.	.			trans	-90.4	135.8	177.9	-52.7	-41.5	0	0	0	110.6	H102 R192 R193	H102-D125 IonicContact CE1-OD2 3.62Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.08Å; D125-R192 WeakPolarHBondContact OD1-CB 3.09Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.48Å; D125-R193 IonicContact OD1-CZ 2.75Å; D125-R193 PolarHBondContact OD1-N 3.11Å; D125-R193 IonicContact OD1-NE 2.82Å; D125-R193 PolarHBondContact OD1-NE 2.83Å; D125-R193 IonicContact OD1-NH2 3.73Å; D125-R193 IonicContact OD2-CZ 3.17Å; D125-R193 IonicContact OD2-NE 2.79Å; D125-R193 IonicContact OD2-NH2 3.79Å; D125-R193 PolarHBondContact OD2-NH2 2.9Å
126	Y	97.4	Very high	96.1	Very high	31 Å²	31	67 Å²	67	12%	0.122	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-128.7	95.8	-170.9	-68.4	-86.4	0	0	0	111.1	M122 D124 S128 M132 S190 I191	M122-Y126 HydrophobicContact CB-CD2 4.39Å; M122-Y126 HydrophobicContact CB-CE2 3.74Å; M122-Y126 HydrophobicContact CE-CD1 3.91Å; M122-Y126 HydrophobicContact CE-CD2 2.93Å; M122-Y126 HydrophobicContact CE-CE1 4.19Å; M122-Y126 HydrophobicContact CE-CE2 3.3Å; M122-Y126 HydrophobicContact CE-CG 3.23Å; M122-Y126 HydrophobicContact CG-CE2 4.15Å; D124-Y126 VanDerWaalsContact C-CE2 3.47Å; D124-Y126 HydrophobicContact CB-CE2 4.02Å; D124-Y126 WeakPolarHBondContact O-CD2 3.36Å; D124-Y126 WeakPolarHBondContact O-CE2 3.45Å; Y126-S128 PolarHBondContact O-N 2.95Å; Y126-M132 HydrophobicContact CD1-CB 4.16Å; Y126-M132 HydrophobicContact CD1-CG 3.38Å; Y126-M132 HydrophobicContact CD1-SD 4.46Å; Y126-M132 HydrophobicContact CE1-CB 4.19Å; Y126-M132 HydrophobicContact CE1-CE 4.02Å; Y126-M132 HydrophobicContact CE1-CG 3.61Å; Y126-M132 HydrophobicContact CE1-SD 4.44Å; Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.33Å; Y126-S190 WeakPolarHBondContact O-CB 3.44Å; Y126-I191 PolarHBondContact N-O 3.12Å; Y126-I191 PolarHBondContact O-N 2.92Å
127	P	97.4	Very high	96	Very high	69 Å²	69	67.3 Å²	67.3	45%	0.448	38%	0.379	S	S	.	.	S	Bend	trans	-69.9	-14.4	178.1	28.9	-34.5	0	0	0	112.7	P155 G156 Y157 S190	P127-P155 CarbonylContact O-C 3.6Å; P127-P155 VanDerWaalsContact O-CA 3.27Å; P127-P155 WeakPolarHBondContact O-CA 3.44Å; P127-P155 WeakPolarHBondContact O-CB 3.39Å; P127-G156 PolarHBondContact O-N 3.45Å; P127-Y157 HydrophobicContact CB-CE1 4.42Å; P127-Y157 HydrophobicContact CB-CE2 4.21Å; P127-Y157 WeakPolarHBondContact CD-OH 3.46Å; P127-S190 WeakPolarHBondContact O-CB 3.4Å
128	S	97.9	Very high	96.1	Very high	31 Å²	31	69.1 Å²	69.1	22%	0.217	37%	0.373	C	S	.	.			trans	-147.6	115.1	168.3	176.3	0	0	0	0	110.3	Y126 Q130 A131 Q189	Y126-S128 PolarHBondContact O-N 2.95Å; S128-Q130 VanDerWaalsContact C-N 3.28Å; S128-Q130 PolarHBondContact O-N 3.11Å; S128-Q130 PolarHBondContact OG-OE1 2.83Å; S128-A131 PolarHBondContact O-N 2.84Å; S128-A131 PolarHBondContact OG-N 2.8Å; S128-Q189 WeakPolarHBondContact CA-O 3.43Å
129	L	97.8	Very high	96.2	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.016	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-39.4	173.7	-69	-178.1	0	0	0	111.3	L109 M122 A131 M132 G133 W134 V139 V188 Q189 I191	L109-L129 HydrophobicContact CD1-CD1 3.83Å; L109-L129 HydrophobicContact CD1-CD2 3.85Å; M122-L129 HydrophobicContact CE-CD2 3.45Å; M122-L129 VanDerWaalsContact CE-CD2 3.45Å; M122-L129 HydrophobicContact SD-CD2 4.01Å; L129-A131 PolarHBondContact O-N 2.87Å; L129-M132 PolarHBondContact O-N 2.95Å; L129-M132 VanDerWaalsContact O-N 3.11Å; L129-G133 PolarHBondContact O-N 3.41Å; L129-W134 HydrophobicContact CB-CB 3.76Å; L129-W134 HydrophobicContact CB-CG 4.16Å; L129-W134 VanDerWaalsContact O-CB 3.25Å; L129-W134 WeakPolarHBondContact O-CB 3.46Å; L129-W134 PolarHBondContact O-N 3Å; L129-W134 VanDerWaalsContact O-N 3.08Å; L129-V139 HydrophobicContact CD1-CG2 4.02Å; L129-V188 HydrophobicContact CD1-CG1 4Å; L129-V188 WeakPolarHBondContact CD1-O 3.49Å; L129-Q189 PolarHBondContact N-O 2.92Å; L129-I191 HydrophobicContact CD2-CG2 3.83Å
130	Q	96.1	Very high	96.3	Very high	56 Å²	56	55.7 Å²	55.7	26%	0.262	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-65.3	-39.2	-178.5	-62.9	78.5	16.9	0	0	112.1	S128 M132 G133 W134 S136	S128-Q130 VanDerWaalsContact C-N 3.28Å; S128-Q130 PolarHBondContact O-N 3.11Å; S128-Q130 PolarHBondContact OG-OE1 2.83Å; Q130-M132 PolarHBondContact O-N 2.95Å; Q130-M132 VanDerWaalsContact O-N 3.15Å; Q130-G133 PolarHBondContact O-N 2.91Å; Q130-G133 VanDerWaalsContact O-N 3.07Å; Q130-W134 WeakPolarHBondContact CA-O 3.34Å; Q130-S136 PolarHBondContact NE2-O 3.23Å
131	A	95.9	Very high	96.4	Very high	81 Å²	81	52.8 Å²	52.8	67%	0.669	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.2	176.2	0	0	0	0	0	113	S128 L129	S128-A131 PolarHBondContact O-N 2.84Å; S128-A131 PolarHBondContact OG-N 2.8Å; L129-A131 PolarHBondContact O-N 2.87Å
132	M	93.6	Very high	96.5	Very high	101 Å²	101	48 Å²	48	50%	0.498	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-98.1	5.5	178.4	-60.4	-47.9	-66.4	0	0	114.3	F120 Y126 L129 Q130	F120-M132 WeakPolarHBondContact CE2-O 3.4Å; F120-M132 HydrophobicContact CZ-CB 4.33Å; F120-M132 VanDerWaalsContact CZ-O 3.3Å; F120-M132 WeakPolarHBondContact CZ-O 3.49Å; Y126-M132 HydrophobicContact CD1-CB 4.16Å; Y126-M132 HydrophobicContact CD1-CG 3.38Å; Y126-M132 HydrophobicContact CD1-SD 4.46Å; Y126-M132 HydrophobicContact CE1-CB 4.19Å; Y126-M132 HydrophobicContact CE1-CE 4.02Å; Y126-M132 HydrophobicContact CE1-CG 3.61Å; Y126-M132 HydrophobicContact CE1-SD 4.44Å; L129-M132 PolarHBondContact O-N 2.95Å; L129-M132 VanDerWaalsContact O-N 3.11Å; Q130-M132 PolarHBondContact O-N 2.95Å; Q130-M132 VanDerWaalsContact O-N 3.15Å
133	G	92.8	Very high	96.7	Very high	48 Å²	48	50.8 Å²	50.8	50%	0.495	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	4.4	175.6	0	0	0	0	0	115.1	L129 Q130 C135	L129-G133 PolarHBondContact O-N 3.41Å; Q130-G133 PolarHBondContact O-N 2.91Å; Q130-G133 VanDerWaalsContact O-N 3.07Å; G133-C135 PolarHBondContact O-N 2.93Å; G133-C135 PolarHBondContact O-SG 3.31Å; G133-C135 VanDerWaalsContact O-SG 3.41Å
134	W	95.8	Very high	96.7	Very high	11 Å²	11	47.4 Å²	47.4	4%	0.042	27%	0.274	C	S	.	.			trans	-66.5	116.1	167.7	-169	-109.9	0	0	0	109.8	L109 Y110 E111 F120 L129 Q130 S136 E138 V139	L109-W134 HydrophobicContact CB-CE3 4.48Å; L109-W134 HydrophobicContact CB-CH2 3.84Å; L109-W134 HydrophobicContact CB-CZ2 4.42Å; L109-W134 HydrophobicContact CB-CZ3 3.87Å; Y110-W134 VanDerWaalsContact C-CH2 3.49Å; E111-W134 HydrophobicContact CG-CH2 3.89Å; E111-W134 HydrophobicContact CG-CZ2 4.29Å; E111-W134 HydrophobicContact CG-CZ3 4.41Å; F120-W134 HydrophobicContact CB-CE3 3.76Å; F120-W134 HydrophobicContact CB-CZ3 3.72Å; F120-W134 HydrophobicContact CD2-CE3 4.12Å; F120-W134 HydrophobicContact CG-CE3 4.38Å; L129-W134 HydrophobicContact CB-CB 3.76Å; L129-W134 HydrophobicContact CB-CG 4.16Å; L129-W134 VanDerWaalsContact O-CB 3.25Å; L129-W134 WeakPolarHBondContact O-CB 3.46Å; L129-W134 PolarHBondContact O-N 3Å; L129-W134 VanDerWaalsContact O-N 3.08Å; Q130-W134 WeakPolarHBondContact CA-O 3.34Å; W134-S136 VanDerWaalsContact C-N 3.28Å; W134-S136 PolarHBondContact O-N 2.77Å; W134-E138 PolarHBondContact NE1-O 3.45Å; W134-V139 HydrophobicContact CZ2-CB 4.48Å; W134-V139 HydrophobicContact CZ2-CG1 4.42Å; W134-V139 HydrophobicContact CZ2-CG2 3.95Å
135	C	92.3	Very high	96.8	Very high	95 Å²	95	46.2 Å²	46.2	64%	0.642	27%	0.268	S	S	*	.			trans	-80.5	-5	-168.6	-63.8	0	0	0	0	114.4	G133	G133-C135 PolarHBondContact O-N 2.93Å; G133-C135 PolarHBondContact O-SG 3.31Å; G133-C135 VanDerWaalsContact O-SG 3.41Å
136	S	94.9	Very high	96.8	Very high	45 Å²	45	44.8 Å²	44.8	32%	0.315	26%	0.262	S	S	.	.			trans	-120	168.8	-176.2	-172.5	0	0	0	0	112.1	Q130 W134 E138	Q130-S136 PolarHBondContact NE2-O 3.23Å; W134-S136 VanDerWaalsContact C-N 3.28Å; W134-S136 PolarHBondContact O-N 2.77Å; S136-E138 PolarHBondContact OG-N 3.35Å
137	K	97	Very high	96.8	Very high	128 Å²	128	43.6 Å²	43.6	56%	0.557	26%	0.259	S	S	*	.	S	Bend	trans	-91.9	-8.6	163	-62.7	-174.5	-177.7	173.2	0	112.3	Q187 V188 Q189	K137-Q187 HydrophobicContact CB-CG 4.46Å; K137-Q187 CarbonylContact O-C 3.58Å; K137-Q187 WeakPolarHBondContact O-CA 3.48Å; K137-V188 CarbonylContact O-C 3.59Å; K137-V188 PolarHBondContact O-N 3.32Å; K137-V188 VanDerWaalsContact O-O 3.04Å; K137-Q189 HydrophobicContact CB-CG 4.28Å
138	E	97.6	Very high	96.8	Very high	93 Å²	93	40.3 Å²	40.3	44%	0.435	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-109.7	146.5	-173.1	-62.3	177.6	-162	0	0	110.1	W134 S136 N186	W134-E138 PolarHBondContact NE1-O 3.45Å; S136-E138 PolarHBondContact OG-N 3.35Å; E138-N186 CarbonylContact C-O 3.57Å; E138-N186 WeakPolarHBondContact CA-O 3.31Å; E138-N186 VanDerWaalsContact CG-OD1 3.3Å; E138-N186 WeakPolarHBondContact CG-OD1 3.41Å; E138-N186 PolarHBondContact OE2-ND2 3.41Å; E138-N186 PolarHBondContact OE2-OD1 3.24Å
139	V	98.1	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.			trans	-131.7	96.6	171.2	-176.7	0	0	0	0	106.8	L109 L129 W134 I142 Y179 N186 V188	L109-V139 HydrophobicContact CB-CG1 3.9Å; L109-V139 HydrophobicContact CD1-CG1 4.46Å; L109-V139 HydrophobicContact CD1-CG2 4.16Å; L109-V139 HydrophobicContact CD2-CG1 4.12Å; L109-V139 HydrophobicContact CG-CG1 4.36Å; L129-V139 HydrophobicContact CD1-CG2 4.02Å; W134-V139 HydrophobicContact CZ2-CB 4.48Å; W134-V139 HydrophobicContact CZ2-CG1 4.42Å; W134-V139 HydrophobicContact CZ2-CG2 3.95Å; V139-I142 HydrophobicContact CG1-CD1 3.81Å; V139-I142 HydrophobicContact CG1-CG1 3.47Å; V139-I142 VanDerWaalsContact CG1-CG1 3.47Å; V139-Y179 WeakPolarHBondContact O-CE2 3.17Å; V139-Y179 PolarHBondContact O-OH 3.07Å; V139-N186 PolarHBondContact N-O 3.46Å; V139-V188 HydrophobicContact CB-CB 4.08Å; V139-V188 HydrophobicContact CB-CG2 4.38Å; V139-V188 HydrophobicContact CG2-CB 3.81Å; V139-V188 HydrophobicContact CG2-CG1 4.28Å
140	P	97.9	Very high	96.7	Very high	14 Å²	14	38.7 Å²	38.7	9%	0.091	23%	0.227	C	C	.	.			trans	-73	-29.6	-175.2	-24.6	36.7	0	0	0	115.4	Y110 E111 E113 H175 Y176 Y179	Y110-P140 WeakPolarHBondContact O-CD 3.38Å; E111-P140 WeakPolarHBondContact O-CG 3.43Å; E113-P140 HydrophobicContact CG-CB 3.7Å; P140-H175 CarbonylContact O-C 3.54Å; P140-Y176 PolarHBondContact O-N 3.28Å; P140-Y179 PolarHBondContact O-OH 3.15Å
141	S	98.5	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.6	173.6	69.2	0	0	0	0	113.1	Y110 C112 F115 Y173 R174 Y179	Y110-S141 WeakPolarHBondContact CB-OG 3.48Å; Y110-S141 PolarHBondContact N-O 3.15Å; C112-S141 PolarHBondContact O-OG 3.12Å; F115-S141 WeakPolarHBondContact CD1-OG 3.3Å; F115-S141 PolarHBondContact N-OG 2.97Å; F115-S141 VanDerWaalsContact N-OG 3.13Å; S141-Y173 CarbonylContact C-O 3.6Å; S141-Y173 VanDerWaalsContact CA-O 3.31Å; S141-Y173 WeakPolarHBondContact CA-O 3.31Å; S141-Y173 VanDerWaalsContact CB-O 3.25Å; S141-Y173 WeakPolarHBondContact CB-O 3.31Å; S141-R174 VanDerWaalsContact CB-O 3.24Å; S141-R174 WeakPolarHBondContact CB-O 3.47Å; S141-Y179 VanDerWaalsContact CA-OH 3.3Å; S141-Y179 WeakPolarHBondContact CA-OH 3.4Å; S141-Y179 PolarHBondContact N-OH 3.11Å
142	I	98.6	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.7	-175.6	-62.8	172.4	0	0	0	109.9	V107 T108 L109 F115 V139 V144 L164 Y173 Y179	V107-I142 HydrophobicContact CG2-CG2 3.35Å; T108-I142 WeakPolarHBondContact O-CA 3.23Å; L109-I142 HydrophobicContact CD2-CB 4.46Å; L109-I142 HydrophobicContact CD2-CD1 3.93Å; L109-I142 HydrophobicContact CD2-CG1 3.71Å; L109-I142 HydrophobicContact CD2-CG2 4.04Å; F115-I142 WeakPolarHBondContact CE1-O 3.34Å; V139-I142 HydrophobicContact CG1-CD1 3.81Å; V139-I142 HydrophobicContact CG1-CG1 3.47Å; V139-I142 VanDerWaalsContact CG1-CG1 3.47Å; I142-V144 HydrophobicContact CG2-CG2 4.47Å; I142-L164 HydrophobicContact CB-CD1 4.29Å; I142-L164 HydrophobicContact CD1-CD1 3.47Å; I142-L164 VanDerWaalsContact CD1-CD1 3.47Å; I142-L164 HydrophobicContact CG1-CD1 4.45Å; I142-L164 HydrophobicContact CG2-CD1 3.88Å; I142-Y173 PolarHBondContact N-O 3.27Å; I142-Y173 WeakPolarHBondContact O-CB 3.45Å; I142-Y173 PolarHBondContact O-N 2.79Å; I142-Y179 HydrophobicContact CB-CE1 4.17Å; I142-Y179 HydrophobicContact CD1-CE1 3.97Å; I142-Y179 HydrophobicContact CD1-CE2 4.22Å; I142-Y179 HydrophobicContact CG1-CE1 4.05Å; I142-Y179 WeakPolarHBondContact CG1-OH 3.41Å
143	K	98.7	Very high	96.8	Very high	62 Å²	62	28.9 Å²	28.9	27%	0.27	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.6	168.6	-173.1	161.7	-179.1	154.2	0	110.6	V107 T108 Y110 F115 N145 G171 E172	V107-K143 CarbonylContact C-O 3.53Å; V107-K143 WeakPolarHBondContact CA-O 3.5Å; T108-K143 PolarHBondContact N-O 2.72Å; T108-K143 PolarHBondContact O-N 2.93Å; Y110-K143 HydrophobicContact CE2-CB 3.92Å; F115-K143 HydrophobicContact CE1-CB 4.35Å; K143-N145 PolarHBondContact O-N 3.35Å; K143-N145 PolarHBondContact O-OD1 3.11Å; K143-G171 CarbonylContact C-O 3.56Å; K143-G171 VanDerWaalsContact CA-O 3.25Å; K143-G171 WeakPolarHBondContact CA-O 3.35Å; K143-E172 HydrophobicContact CD-CG 4.38Å; K143-E172 HydrophobicContact CG-CG 4.47Å; K143-E172 IonicContact NZ-OE1 2.99Å; K143-E172 PolarHBondContact NZ-OE1 3.04Å
144	V	98.6	Very high	97	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.2	169.4	-174.4	0	0	0	0	107.7	V107 I142 L164 R166 G171 Y173	V107-V144 HydrophobicContact CG2-CG2 4.39Å; I142-V144 HydrophobicContact CG2-CG2 4.47Å; V144-L164 HydrophobicContact CG2-CB 3.57Å; V144-R166 HydrophobicContact CG1-CB 3.97Å; V144-R166 WeakPolarHBondContact O-CD 3.3Å; V144-G171 PolarHBondContact N-O 3.09Å; V144-Y173 HydrophobicContact CG2-CD2 4.36Å; V144-Y173 HydrophobicContact CG2-CE2 3.99Å
145	N	98.1	Very high	97	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.273	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-37	-178.6	-57.5	99.6	0	0	0	111.2	K106 T108 K143 R166	K106-N145 HydrophobicContact CB-CB 4.05Å; K106-N145 HydrophobicContact CD-CB 4.2Å; K106-N145 HydrophobicContact CG-CB 3.91Å; K106-N145 WeakPolarHBondContact O-CB 3.27Å; K106-N145 PolarHBondContact O-N 2.81Å; T108-N145 PolarHBondContact N-OD1 2.97Å; T108-N145 PolarHBondContact OG1-OD1 2.72Å; K143-N145 PolarHBondContact O-N 3.35Å; K143-N145 PolarHBondContact O-OD1 3.11Å; N145-R166 VanDerWaalsContact O-CD 3.23Å; N145-R166 WeakPolarHBondContact O-CD 3.49Å; N145-R166 PolarHBondContact O-NE 3.3Å; N145-R166 VanDerWaalsContact O-NE 3.15Å
146	S	97.7	Very high	97.2	Very high	21 Å²	21	27.9 Å²	27.9	15%	0.147	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	158.7	177.3	56.3	0	0	0	0	110.7	D104 K106 W149	D104-S146 WeakPolarHBondContact O-CB 3.37Å; D104-S146 PolarHBondContact O-OG 3.14Å; K106-S146 WeakPolarHBondContact CB-OG 3.37Å; K106-S146 PolarHBondContact N-O 2.96Å; K106-S146 PolarHBondContact N-OG 2.82Å; K106-S146 VanDerWaalsContact N-OG 3.14Å; K106-S146 PolarHBondContact O-N 2.81Å; K106-S146 VanDerWaalsContact O-N 3.13Å; S146-W149 PolarHBondContact O-NE1 3.12Å
147	G	96.6	Very high	97.2	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	15%	0.146	C	C	.	.	S	Bend	trans	76.5	-160.5	-179.5	0	0	0	0	0	113.9	C99 R166	C99-G147 CarbonylContact O-C 3.48Å; C99-G147 WeakPolarHBondContact O-CA 3.46Å; G147-R166 WeakPolarHBondContact O-CB 3.18Å; G147-R166 PolarHBondContact O-N 3.03Å
148	A	97.8	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.3	173	0	0	0	0	0	109.2	I97 A100 L164 E165 I194	I97-A148 HydrophobicContact CG2-CB 3.63Å; A100-A148 HydrophobicContact CB-CB 4.19Å; A148-L164 CarbonylContact C-O 3.58Å; A148-L164 WeakPolarHBondContact CA-O 3.26Å; A148-E165 HydrophobicContact CB-CG 4.07Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.87Å; A148-I194 PolarHBondContact O-N 3.04Å
149	W	98.2	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.9	-172.1	-66.5	77.5	0	0	0	110.3	V107 D124 S146 I163 L164 I191 R192 R193	V107-W149 HydrophobicContact CB-CD2 3.94Å; V107-W149 HydrophobicContact CB-CG 4.23Å; V107-W149 HydrophobicContact CB-CZ2 3.93Å; V107-W149 HydrophobicContact CG1-CD2 3.7Å; V107-W149 HydrophobicContact CG1-CE3 3.83Å; V107-W149 HydrophobicContact CG1-CG 4.42Å; V107-W149 HydrophobicContact CG1-CH2 3.66Å; V107-W149 HydrophobicContact CG1-CZ2 3.56Å; V107-W149 HydrophobicContact CG1-CZ3 3.8Å; D124-W149 WeakPolarHBondContact O-CH2 3.44Å; D124-W149 VanDerWaalsContact O-CZ3 3.22Å; D124-W149 WeakPolarHBondContact O-CZ3 3.32Å; S146-W149 PolarHBondContact O-NE1 3.12Å; W149-I163 WeakPolarHBondContact O-CA 3.39Å; W149-L164 HydrophobicContact CB-CB 4.46Å; W149-L164 PolarHBondContact N-O 2.87Å; W149-L164 PolarHBondContact O-N 2.93Å; W149-I191 HydrophobicContact CB-CD1 4.28Å; W149-I191 HydrophobicContact CB-CG1 4.4Å; W149-I191 HydrophobicContact CE3-CD1 4.09Å; W149-I191 HydrophobicContact CE3-CG1 3.91Å; W149-R192 WeakPolarHBondContact CA-O 3.39Å; W149-R192 VanDerWaalsContact CE3-C 3.43Å; W149-R193 HydrophobicContact CD2-CG 4.25Å; W149-R193 HydrophobicContact CE3-CG 3.95Å; W149-R193 HydrophobicContact CH2-CG 3.46Å; W149-R193 VanDerWaalsContact CH2-CG 3.46Å; W149-R193 HydrophobicContact CZ2-CG 3.75Å; W149-R193 HydrophobicContact CZ3-CG 3.57Å
150	V	97.1	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.6	167.4	54.8	0	0	0	0	109.2	Y152 Q161 Y162 I163 I191 R192 I194	V150-Y152 HydrophobicContact CB-CE2 4.19Å; V150-Y152 HydrophobicContact CG1-CE2 3.66Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.44Å; V150-Y152 HydrophobicContact CG2-CD2 4.31Å; V150-Y152 HydrophobicContact CG2-CE1 4.06Å; V150-Y152 HydrophobicContact CG2-CE2 3.69Å; V150-Q161 HydrophobicContact CG2-CB 4.06Å; V150-Y162 WeakPolarHBondContact CA-O 3.42Å; V150-I163 HydrophobicContact CB-CG1 4.45Å; V150-I163 HydrophobicContact CG2-CD1 4.05Å; V150-I163 HydrophobicContact CG2-CG1 4.47Å; V150-I191 WeakPolarHBondContact O-CA 3.37Å; V150-I191 WeakPolarHBondContact O-CG1 3.41Å; V150-R192 HydrophobicContact CG1-CG 3.46Å; V150-R192 VanDerWaalsContact CG1-CG 3.46Å; V150-R192 PolarHBondContact N-O 3.17Å; V150-R192 PolarHBondContact O-N 2.94Å; V150-I194 HydrophobicContact CB-CD1 4.44Å; V150-I194 HydrophobicContact CB-CG1 4.33Å; V150-I194 HydrophobicContact CG1-CG1 4.15Å
151	A	96.9	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.1	174.8	0	0	0	0	0	110	Q161 Y162 L164 V188 I191	A151-Q161 WeakPolarHBondContact O-CA 3.17Å; A151-Y162 HydrophobicContact CB-CD2 4.43Å; A151-Y162 PolarHBondContact N-O 3.31Å; A151-Y162 PolarHBondContact O-N 2.91Å; A151-L164 HydrophobicContact CB-CD1 4.12Å; A151-V188 HydrophobicContact CB-CG1 3.78Å; A151-V188 HydrophobicContact CB-CG2 4.38Å; A151-I191 HydrophobicContact CB-CD1 4.21Å; A151-I191 HydrophobicContact CB-CG1 4.06Å
152	Y	95.6	Very high	95.9	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.039	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.7	-176.1	-62.2	-93.5	0	0	0	111.6	V150 F154 Y157 Y160 Q161 V188 Q189 S190 R192	V150-Y152 HydrophobicContact CB-CE2 4.19Å; V150-Y152 HydrophobicContact CG1-CE2 3.66Å; V150-Y152 WeakPolarHBondContact CG1-OH 3.44Å; V150-Y152 HydrophobicContact CG2-CD2 4.31Å; V150-Y152 HydrophobicContact CG2-CE1 4.06Å; V150-Y152 HydrophobicContact CG2-CE2 3.69Å; Y152-F154 VanDerWaalsContact C-N 3.3Å; Y152-F154 PolarHBondContact O-N 2.88Å; Y152-Y157 VanDerWaalsContact CD1-C 3.42Å; Y152-Y157 AromaticContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CG 4.27Å; Y152-Y157 AromaticContact CE2-CD1 3.69Å; Y152-Y157 HydrophobicContact CE2-CD1 3.69Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y152-Y160 WeakPolarHBondContact CA-O 3.45Å; Y152-Q161 HydrophobicContact CD1-CB 4.49Å; Y152-Q161 HydrophobicContact CD1-CG 3.86Å; Y152-Q161 HydrophobicContact CE1-CB 4.35Å; Y152-Q161 HydrophobicContact CE1-CG 3.59Å; Y152-V188 WeakPolarHBondContact O-CA 3.21Å; Y152-Q189 PolarHBondContact O-N 3.04Å; Y152-S190 WeakPolarHBondContact CB-OG 3.4Å; Y152-S190 PolarHBondContact N-O 3.05Å; Y152-S190 PolarHBondContact O-N 3.45Å; Y152-R192 HydrophobicContact CE2-CG 4.08Å; Y152-R192 PolarHBondContact OH-NE 3.35Å; Y152-R192 VanDerWaalsContact OH-NE 3.11Å
153	Q	95.1	Very high	95.8	Very high	21 Å²	21	26 Å²	26	10%	0.098	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-38.2	-179.8	-172.5	-178	16.9	0	0	113.4	R158 Y160 Q187 Q189	Q153-R158 PolarHBondContact N-O 3.13Å; Q153-Y160 PolarHBondContact N-O 3.2Å; Q153-Y160 VanDerWaalsContact N-O 3.12Å; Q153-Y160 VanDerWaalsContact OE1-CD2 3.22Å; Q153-Q187 WeakPolarHBondContact CA-O 3.49Å; Q153-Q187 HydrophobicContact CG-CB 4.24Å; Q153-Q187 HydrophobicContact CG-CG 4.03Å; Q153-Q189 WeakPolarHBondContact O-CB 3.24Å; Q153-Q189 VanDerWaalsContact O-CG 3.25Å; Q153-Q189 WeakPolarHBondContact O-CG 3.2Å; Q153-Q189 PolarHBondContact O-OE1 2.88Å
154	F	95.8	Very high	95.8	Very high	63 Å²	63	23 Å²	23	28%	0.276	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.8	-175.7	-58.7	-59.4	0	0	0	112.4	Y152 R158 S190	Y152-F154 VanDerWaalsContact C-N 3.3Å; Y152-F154 PolarHBondContact O-N 2.88Å; F154-R158 HydrophobicContact CB-CB 4.11Å; F154-R158 PolarHBondContact N-O 3.02Å; F154-S190 PolarHBondContact O-OG 3.27Å
155	P	96.8	Very high	95.7	Very high	38 Å²	38	23.1 Å²	23.1	25%	0.247	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	150.7	171.1	-22.6	34	0	0	0	112.4	P127 R158 Q189	P127-P155 CarbonylContact O-C 3.6Å; P127-P155 VanDerWaalsContact O-CA 3.27Å; P127-P155 WeakPolarHBondContact O-CA 3.44Å; P127-P155 WeakPolarHBondContact O-CB 3.39Å; P155-R158 PolarHBondContact O-NE 3.15Å; P155-R158 PolarHBondContact O-NH2 2.79Å; P155-Q189 HydrophobicContact CG-CB 3.94Å
156	G	96.3	Very high	95.7	Very high	33 Å²	33	25.6 Å²	25.6	34%	0.34	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	29.9	179.4	0	0	0	0	0	113.7	P127	P127-G156 PolarHBondContact O-N 3.45Å
157	Y	94.9	Very high	95.6	Very high	58 Å²	58	28.7 Å²	28.7	23%	0.227	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	50.1	175.9	-41.6	-54.8	0	0	0	113.2	N83 P127 Y152 S190 R192	N83-Y157 WeakPolarHBondContact CB-O 3.36Å; N83-Y157 PolarHBondContact ND2-O 2.66Å; N83-Y157 VanDerWaalsContact ND2-O 3.11Å; P127-Y157 HydrophobicContact CB-CE1 4.42Å; P127-Y157 HydrophobicContact CB-CE2 4.21Å; P127-Y157 WeakPolarHBondContact CD-OH 3.46Å; Y152-Y157 VanDerWaalsContact CD1-C 3.42Å; Y152-Y157 AromaticContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CD1 3.73Å; Y152-Y157 HydrophobicContact CD2-CG 4.27Å; Y152-Y157 AromaticContact CE2-CD1 3.69Å; Y152-Y157 HydrophobicContact CE2-CD1 3.69Å; Y152-Y157 HydrophobicContact CE2-CG 4.02Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 2.87Å; Y157-R192 HydrophobicContact CD1-CB 4.37Å; Y157-R192 HydrophobicContact CD1-CG 4.33Å; Y157-R192 HydrophobicContact CE1-CB 3.78Å; Y157-R192 HydrophobicContact CE1-CG 4.22Å
158	R	92.8	Very high	95.5	Very high	121 Å²	121	33.3 Å²	33.3	46%	0.457	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.4	-176	-67.9	179.8	-59.9	134.1	4.6	112.3	N83 Q153 F154 P155	N83-R158 HydrophobicContact CB-CG 4.3Å; N83-R158 CarbonylContact O-C 3.43Å; N83-R158 WeakPolarHBondContact O-CA 3.46Å; Q153-R158 PolarHBondContact N-O 3.13Å; F154-R158 HydrophobicContact CB-CB 4.11Å; F154-R158 PolarHBondContact N-O 3.02Å; P155-R158 PolarHBondContact O-NE 3.15Å; P155-R158 PolarHBondContact O-NH2 2.79Å
159	G	91.6	Very high	95.2	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-159.7	-178.4	0	0	0	0	0	112.1	N83 S84 S85	N83-G159 PolarHBondContact O-N 2.63Å; S84-G159 WeakPolarHBondContact CA-O 3.06Å; S85-G159 WeakPolarHBondContact OG-CA 3.39Å
160	Y	90.8	Very high	95.1	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.184	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	140.3	175.3	-69.4	-66.7	0	0	0	111.7	Y86 Y152 Q153 Y162	Y86-Y160 AromaticContact CD2-CE1 3.75Å; Y86-Y160 HydrophobicContact CD2-CE1 3.75Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.27Å; Y86-Y160 AromaticContact CG-CE1 3.71Å; Y86-Y160 HydrophobicContact CG-CE1 3.71Å; Y152-Y160 WeakPolarHBondContact CA-O 3.45Å; Q153-Y160 PolarHBondContact N-O 3.2Å; Q153-Y160 VanDerWaalsContact N-O 3.12Å; Q153-Y160 VanDerWaalsContact OE1-CD2 3.22Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.49Å
161	Q	92.3	Very high	95.1	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.4	175.7	-47.6	-173	24.2	0	0	110.1	Q65 V150 A151 Y152 I163	Q65-Q161 PolarHBondContact NE2-O 2.61Å; V150-Q161 HydrophobicContact CG2-CB 4.06Å; A151-Q161 WeakPolarHBondContact O-CA 3.17Å; Y152-Q161 HydrophobicContact CD1-CB 4.49Å; Y152-Q161 HydrophobicContact CD1-CG 3.86Å; Y152-Q161 HydrophobicContact CE1-CB 4.35Å; Y152-Q161 HydrophobicContact CE1-CG 3.59Å; Q161-I163 HydrophobicContact CB-CD1 4.31Å
162	Y	94.6	Very high	95.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.5	174.4	-48.5	-67.2	0	0	0	109.4	V150 A151 Y160 A183 V188	V150-Y162 WeakPolarHBondContact CA-O 3.42Å; A151-Y162 HydrophobicContact CB-CD2 4.43Å; A151-Y162 PolarHBondContact N-O 3.31Å; A151-Y162 PolarHBondContact O-N 2.91Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.49Å; Y162-A183 HydrophobicContact CD1-CB 4.38Å; Y162-A183 HydrophobicContact CE1-CB 3.99Å; Y162-V188 HydrophobicContact CD2-CG2 4.37Å; Y162-V188 HydrophobicContact CE2-CG2 4.47Å
163	I	96.4	Very high	95.3	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.8	179.8	-73.2	68	0	0	0	108.8	L55 Q66 I97 W149 V150 Q161 E165 I194	L55-I163 HydrophobicContact CD1-CB 4.16Å; L55-I163 HydrophobicContact CD1-CD1 3.65Å; L55-I163 HydrophobicContact CD1-CG1 3.6Å; L55-I163 HydrophobicContact CD2-CB 3.94Å; L55-I163 HydrophobicContact CD2-CG1 4.29Å; L55-I163 HydrophobicContact CD2-CG2 3.9Å; Q66-I163 HydrophobicContact CB-CD1 3.84Å; I97-I163 HydrophobicContact CD1-CG2 4.09Å; W149-I163 WeakPolarHBondContact O-CA 3.39Å; V150-I163 HydrophobicContact CB-CG1 4.45Å; V150-I163 HydrophobicContact CG2-CD1 4.05Å; V150-I163 HydrophobicContact CG2-CG1 4.47Å; Q161-I163 HydrophobicContact CB-CD1 4.31Å; I163-E165 HydrophobicContact CG2-CG 4.05Å; I163-I194 HydrophobicContact CG1-CD1 4.37Å; I163-I194 HydrophobicContact CG2-CD1 4.07Å
164	L	97.7	Very high	95.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118	-175.1	-52.4	171.9	0	0	0	108.3	I142 V144 A148 W149 A151 Y173 Y179	I142-L164 HydrophobicContact CB-CD1 4.29Å; I142-L164 HydrophobicContact CD1-CD1 3.47Å; I142-L164 VanDerWaalsContact CD1-CD1 3.47Å; I142-L164 HydrophobicContact CG1-CD1 4.45Å; I142-L164 HydrophobicContact CG2-CD1 3.88Å; V144-L164 HydrophobicContact CG2-CB 3.57Å; A148-L164 CarbonylContact C-O 3.58Å; A148-L164 WeakPolarHBondContact CA-O 3.26Å; W149-L164 HydrophobicContact CB-CB 4.46Å; W149-L164 PolarHBondContact N-O 2.87Å; W149-L164 PolarHBondContact O-N 2.93Å; A151-L164 HydrophobicContact CB-CD1 4.12Å; L164-Y173 WeakPolarHBondContact CA-OH 3.34Å; L164-Y173 HydrophobicContact CB-CE2 3.95Å; L164-Y173 HydrophobicContact CD2-CD1 3.92Å; L164-Y173 HydrophobicContact CD2-CD2 4.04Å; L164-Y173 HydrophobicContact CD2-CE1 3.82Å; L164-Y173 HydrophobicContact CD2-CE2 3.97Å; L164-Y173 HydrophobicContact CD2-CG 4.02Å; L164-Y179 HydrophobicContact CD2-CD1 3.83Å; L164-Y179 HydrophobicContact CD2-CG 4.18Å
165	E	97.8	Very high	95.6	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.8	-170.8	-80.3	170	-72.7	0	0	110.9	R95 I97 A148 I163 D167 R168 Y173	R95-E165 IonicContact CZ-OE1 3.75Å; R95-E165 VanDerWaalsContact CZ-OE1 3.3Å; R95-E165 IonicContact CZ-OE2 3.57Å; R95-E165 IonicContact NH1-OE1 3.55Å; R95-E165 PolarHBondContact NH1-OE1 3.33Å; R95-E165 VanDerWaalsContact NH1-OE1 3.14Å; R95-E165 IonicContact NH1-OE2 2.72Å; R95-E165 PolarHBondContact NH1-OE2 2.84Å; R95-E165 IonicContact NH2-OE1 3Å; R95-E165 PolarHBondContact NH2-OE1 3.44Å; R95-E165 IonicContact NH2-OE2 2.7Å; I97-E165 HydrophobicContact CG2-CG 4.01Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.44Å; A148-E165 HydrophobicContact CB-CG 4.07Å; I163-E165 HydrophobicContact CG2-CG 4.05Å; E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 WeakPolarHBondContact CB-OD1 3.31Å; E165-D167 PolarHBondContact O-N 3.11Å; E165-R168 HydrophobicContact CB-CB 3.97Å; E165-R168 HydrophobicContact CB-CG 3.85Å; E165-R168 PolarHBondContact O-N 2.93Å; E165-R168 VanDerWaalsContact O-O 3.08Å; E165-R168 WeakPolarHBondContact OE1-CG 3.49Å; E165-Y173 PolarHBondContact N-OH 3.27Å
166	R	97.6	Very high	95.5	Very high	104 Å²	104	52.5 Å²	52.5	39%	0.392	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.3	176.5	175.9	57.3	-176.1	86.6	-3.6	113.1	C99 V144 N145 G147 Q170 G171	C99-R166 HydrophobicContact CB-CB 4.42Å; V144-R166 HydrophobicContact CG1-CB 3.97Å; V144-R166 WeakPolarHBondContact O-CD 3.3Å; N145-R166 VanDerWaalsContact O-CD 3.23Å; N145-R166 WeakPolarHBondContact O-CD 3.49Å; N145-R166 PolarHBondContact O-NE 3.3Å; N145-R166 VanDerWaalsContact O-NE 3.15Å; G147-R166 WeakPolarHBondContact O-CB 3.18Å; G147-R166 PolarHBondContact O-N 3.03Å; R166-Q170 PolarHBondContact NH1-O 3.25Å; R166-Q170 VanDerWaalsContact NH1-O 3.08Å; R166-Q170 CarbonylContact O-C 3.52Å; R166-G171 PolarHBondContact O-N 2.95Å; R166-G171 VanDerWaalsContact O-N 3.08Å
167	D	95.8	Very high	95.4	Very high	85 Å²	85	55.5 Å²	55.5	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.7	-176.1	62.5	-6.3	0	0	0	113.6	C99 E165	C99-D167 HydrophobicContact CB-CB 4.18Å; C99-D167 VanDerWaalsContact SG-CG 3.59Å; C99-D167 PolarHBondContact SG-OD1 2.96Å; E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 WeakPolarHBondContact CB-OD1 3.31Å; E165-D167 PolarHBondContact O-N 3.11Å
168	R	94.1	Very high	95.5	Very high	104 Å²	104	55.5 Å²	55.5	39%	0.392	24%	0.243	S	C	.	.	S	Bend	trans	-99	140.5	170.4	-66.4	-78.5	-178.1	164.5	-6.2	109.8	E165 Q170 G171	E165-R168 HydrophobicContact CB-CB 3.97Å; E165-R168 HydrophobicContact CB-CG 3.85Å; E165-R168 PolarHBondContact O-N 2.93Å; E165-R168 VanDerWaalsContact O-O 3.08Å; E165-R168 WeakPolarHBondContact OE1-CG 3.49Å; R168-Q170 PolarHBondContact O-N 3.22Å; R168-G171 PolarHBondContact O-N 3.01Å
169	H	91.6	Very high	95.6	Very high	112 Å²	112	49.9 Å²	49.9	52%	0.519	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	51.3	22.9	-178	-56	-87.4	0	0	0	114	G171 E172 Y173	H169-G171 PolarHBondContact O-N 3.2Å; H169-G171 VanDerWaalsContact O-N 3.15Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 WeakPolarHBondContact O-CB 3.42Å; H169-E172 PolarHBondContact O-N 3.23Å; H169-Y173 AromaticContact CD2-CE1 3.81Å
170	Q	95.3	Very high	95.6	Very high	150 Å²	150	50.1 Å²	50.1	70%	0.701	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	56.4	23.6	-170.8	-47.8	179.1	24	0	0	113.9	R166 R168 E172	R166-Q170 PolarHBondContact NH1-O 3.25Å; R166-Q170 VanDerWaalsContact NH1-O 3.08Å; R166-Q170 CarbonylContact O-C 3.52Å; R168-Q170 PolarHBondContact O-N 3.22Å; Q170-E172 VanDerWaalsContact C-N 3.26Å
171	G	97.7	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	74.4	11.9	-173.6	0	0	0	0	0	113.6	K143 V144 R166 R168 H169	K143-G171 CarbonylContact C-O 3.56Å; K143-G171 VanDerWaalsContact CA-O 3.25Å; K143-G171 WeakPolarHBondContact CA-O 3.35Å; V144-G171 PolarHBondContact N-O 3.09Å; R166-G171 PolarHBondContact O-N 2.95Å; R166-G171 VanDerWaalsContact O-N 3.08Å; R168-G171 PolarHBondContact O-N 3.01Å; H169-G171 PolarHBondContact O-N 3.2Å; H169-G171 VanDerWaalsContact O-N 3.15Å
172	E	98.4	Very high	95.2	Very high	44 Å²	44	52.6 Å²	52.6	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.1	-175.3	-66.7	-164.1	164.7	0	0	110.6	F115 K143 H169 Q170 R174	F115-E172 HydrophobicContact CE2-CB 3.98Å; F115-E172 HydrophobicContact CE2-CG 4.09Å; F115-E172 HydrophobicContact CZ-CB 3.65Å; F115-E172 HydrophobicContact CZ-CG 4.09Å; K143-E172 HydrophobicContact CD-CG 4.38Å; K143-E172 HydrophobicContact CG-CG 4.47Å; K143-E172 IonicContact NZ-OE1 2.99Å; K143-E172 PolarHBondContact NZ-OE1 3.04Å; H169-E172 WeakPolarHBondContact CB-O 3.43Å; H169-E172 WeakPolarHBondContact O-CB 3.42Å; H169-E172 PolarHBondContact O-N 3.23Å; Q170-E172 VanDerWaalsContact C-N 3.26Å; E172-R174 IonicContact OE2-CZ 3.56Å; E172-R174 IonicContact OE2-NE 3.96Å; E172-R174 IonicContact OE2-NH2 3.48Å; E172-R174 PolarHBondContact OE2-NH2 2.97Å
173	Y	98.4	Very high	95	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	92.4	175.5	-60.8	-95	0	0	0	108.6	F115 S141 I142 V144 L164 E165 H169 E178 Y179	F115-Y173 WeakPolarHBondContact CE1-O 3.43Å; S141-Y173 CarbonylContact C-O 3.6Å; S141-Y173 VanDerWaalsContact CA-O 3.31Å; S141-Y173 WeakPolarHBondContact CA-O 3.31Å; S141-Y173 VanDerWaalsContact CB-O 3.25Å; S141-Y173 WeakPolarHBondContact CB-O 3.31Å; I142-Y173 PolarHBondContact N-O 3.27Å; I142-Y173 WeakPolarHBondContact O-CB 3.45Å; I142-Y173 PolarHBondContact O-N 2.79Å; V144-Y173 HydrophobicContact CG2-CD2 4.36Å; V144-Y173 HydrophobicContact CG2-CE2 3.99Å; L164-Y173 WeakPolarHBondContact CA-OH 3.34Å; L164-Y173 HydrophobicContact CB-CE2 3.95Å; L164-Y173 HydrophobicContact CD2-CD1 3.92Å; L164-Y173 HydrophobicContact CD2-CD2 4.04Å; L164-Y173 HydrophobicContact CD2-CE1 3.82Å; L164-Y173 HydrophobicContact CD2-CE2 3.97Å; L164-Y173 HydrophobicContact CD2-CG 4.02Å; E165-Y173 PolarHBondContact N-OH 3.27Å; H169-Y173 AromaticContact CD2-CE1 3.81Å; Y173-E178 VanDerWaalsContact CA-OE2 3.31Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.45Å; Y173-E178 HydrophobicContact CD1-CB 4.04Å; Y173-E178 VanDerWaalsContact CD1-O 3.31Å; Y173-E178 WeakPolarHBondContact CD1-O 3.26Å; Y173-E178 WeakPolarHBondContact CE1-O 3.18Å; Y173-Y179 HydrophobicContact CD1-CD1 4.05Å; Y173-Y179 HydrophobicContact CG-CD1 4.11Å; Y173-Y179 HydrophobicContact CG-CE1 4.41Å
174	R	98.3	Very high	94.6	Very high	94 Å²	94	59.3 Å²	59.3	36%	0.355	28%	0.276	S	S	.	.			trans	-78.6	-26.7	-168.8	-70.2	172.6	179.1	-84.7	-6.3	113.1	E113 D114 F115 S141 E172 E178	E113-R174 WeakPolarHBondContact CA-O 3.42Å; D114-R174 PolarHBondContact N-O 3.03Å; D114-R174 IonicContact OD1-NH1 2.82Å; F115-R174 HydrophobicContact CD2-CG 4.43Å; F115-R174 HydrophobicContact CE1-CG 4.29Å; F115-R174 HydrophobicContact CE2-CG 3.57Å; F115-R174 HydrophobicContact CZ-CB 4.38Å; F115-R174 HydrophobicContact CZ-CG 3.46Å; F115-R174 VanDerWaalsContact CZ-CG 3.46Å; S141-R174 VanDerWaalsContact CB-O 3.24Å; S141-R174 WeakPolarHBondContact CB-O 3.47Å; E172-R174 IonicContact OE2-CZ 3.56Å; E172-R174 IonicContact OE2-NE 3.96Å; E172-R174 IonicContact OE2-NH2 3.48Å; E172-R174 PolarHBondContact OE2-NH2 2.97Å; R174-E178 PolarHBondContact N-OE2 3.04Å
175	H	97.8	Very high	94.4	Very high	54 Å²	54	61.1 Å²	61.1	25%	0.25	29%	0.286	C	S	.	.	S	Bend	trans	-133.7	150.6	177.8	-54.5	-80.3	0	0	0	109.4	E113 D114 P140 N177 E178	E113-H175 VanDerWaalsContact CD-ND1 3.29Å; E113-H175 IonicContact OE1-ND1 2.9Å; E113-H175 IonicContact OE2-CE1 3.46Å; E113-H175 PolarHBondContact OE2-CE1 3Å; E113-H175 IonicContact OE2-ND1 3.53Å; E113-H175 PolarHBondContact OE2-ND1 3.09Å; D114-H175 IonicContact OD1-NE2 3.84Å; D114-H175 IonicContact OD2-CE1 3.61Å; D114-H175 IonicContact OD2-NE2 2.87Å; P140-H175 CarbonylContact O-C 3.54Å; H175-N177 WeakPolarHBondContact CB-OD1 3.39Å; H175-N177 PolarHBondContact O-N 3.32Å; H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CD2-OE1 3.8Å; H175-E178 VanDerWaalsContact O-CB 3.31Å; H175-E178 WeakPolarHBondContact O-CB 3.44Å; H175-E178 PolarHBondContact O-N 2.86Å
176	Y	95.4	Very high	94.3	Very high	75 Å²	75	62.1 Å²	62.1	29%	0.294	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-64	-26.5	-175.3	75.1	-88	0	0	0	113.9	P140 E178 Y179 A183 T185 N186	P140-Y176 PolarHBondContact O-N 3.28Å; Y176-E178 PolarHBondContact O-N 3.08Å; Y176-Y179 VanDerWaalsContact O-CB 3.26Å; Y176-Y179 WeakPolarHBondContact O-CB 3.28Å; Y176-Y179 WeakPolarHBondContact O-CD2 3.14Å; Y176-Y179 PolarHBondContact O-N 3.43Å; Y176-Y179 VanDerWaalsContact O-N 3.09Å; Y176-A183 HydrophobicContact CD2-CB 4.43Å; Y176-A183 WeakPolarHBondContact CE2-O 3.25Å; Y176-A183 WeakPolarHBondContact O-CB 3.24Å; Y176-T185 VanDerWaalsContact CD2-C 3.47Å; Y176-N186 VanDerWaalsContact CB-CB 3.49Å; Y176-N186 HydrophobicContact CD1-CB 4Å; Y176-N186 HydrophobicContact CD2-CB 4.35Å; Y176-N186 HydrophobicContact CG-CB 3.68Å
177	N	94.9	Very high	94.2	Very high	97 Å²	97	59 Å²	59	52%	0.519	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-67.9	-12.6	176.1	63.4	-10.2	0	0	0	112.7	H175	H175-N177 WeakPolarHBondContact CB-OD1 3.39Å; H175-N177 PolarHBondContact O-N 3.32Å
178	E	96	Very high	94.3	Very high	57 Å²	57	54.9 Å²	54.9	27%	0.266	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-82.2	-15.8	173	-58.7	176.7	-179.5	0	0	112.2	Y173 R174 H175 Y176 S180	Y173-E178 VanDerWaalsContact CA-OE2 3.31Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.45Å; Y173-E178 HydrophobicContact CD1-CB 4.04Å; Y173-E178 VanDerWaalsContact CD1-O 3.31Å; Y173-E178 WeakPolarHBondContact CD1-O 3.26Å; Y173-E178 WeakPolarHBondContact CE1-O 3.18Å; R174-E178 PolarHBondContact N-OE2 3.04Å; H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CD2-OE1 3.8Å; H175-E178 VanDerWaalsContact O-CB 3.31Å; H175-E178 WeakPolarHBondContact O-CB 3.44Å; H175-E178 PolarHBondContact O-N 2.86Å; Y176-E178 PolarHBondContact O-N 3.08Å; E178-S180 VanDerWaalsContact C-N 3.26Å; E178-S180 PolarHBondContact O-N 3.48Å
179	Y	94.9	Very high	94.5	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.012	25%	0.245	C	C	.	.	S	Bend	trans	-63.3	-34.1	179.9	-61.4	-15	0	0	0	112.3	V139 P140 S141 I142 L164 Y173 Y176 V188	V139-Y179 WeakPolarHBondContact O-CE2 3.17Å; V139-Y179 PolarHBondContact O-OH 3.07Å; P140-Y179 PolarHBondContact O-OH 3.15Å; S141-Y179 VanDerWaalsContact CA-OH 3.3Å; S141-Y179 WeakPolarHBondContact CA-OH 3.4Å; S141-Y179 PolarHBondContact N-OH 3.11Å; I142-Y179 HydrophobicContact CB-CE1 4.17Å; I142-Y179 HydrophobicContact CD1-CE1 3.97Å; I142-Y179 HydrophobicContact CD1-CE2 4.22Å; I142-Y179 HydrophobicContact CG1-CE1 4.05Å; I142-Y179 WeakPolarHBondContact CG1-OH 3.41Å; L164-Y179 HydrophobicContact CD2-CD1 3.83Å; L164-Y179 HydrophobicContact CD2-CG 4.18Å; Y173-Y179 HydrophobicContact CD1-CD1 4.05Å; Y173-Y179 HydrophobicContact CG-CD1 4.11Å; Y173-Y179 HydrophobicContact CG-CE1 4.41Å; Y176-Y179 VanDerWaalsContact O-CB 3.26Å; Y176-Y179 WeakPolarHBondContact O-CB 3.28Å; Y176-Y179 WeakPolarHBondContact O-CD2 3.14Å; Y176-Y179 PolarHBondContact O-N 3.43Å; Y176-Y179 VanDerWaalsContact O-N 3.09Å; Y179-V188 HydrophobicContact CE2-CG2 4.41Å
180	S	91.4	Very high	94.8	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	22%	0.221	C	C	.	.			trans	-169.1	155.4	177.7	173.9	0	0	0	0	109.6	Q66 E178 Q182 A183	Q66-S180 PolarHBondContact NE2-OG 3.47Å; E178-S180 VanDerWaalsContact C-N 3.26Å; E178-S180 PolarHBondContact O-N 3.48Å; S180-Q182 PolarHBondContact O-N 3.19Å; S180-Q182 VanDerWaalsContact O-N 3.09Å; S180-Q182 PolarHBondContact OG-N 3.46Å; S180-A183 VanDerWaalsContact O-CB 3.28Å; S180-A183 WeakPolarHBondContact O-CB 3.25Å; S180-A183 PolarHBondContact O-N 3.08Å
181	T	89.6	Confident	94.9	Very high	85 Å²	85	38.3 Å²	38.3	52%	0.521	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.4	171.4	56.2	0	0	0	0	113.2	G64	G64-T181 PolarHBondContact N-OG1 3Å; G64-T181 VanDerWaalsContact N-OG1 3.12Å
182	Q	86.3	Confident	94.9	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.107	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	24.7	174.2	-78.7	-170.8	8.6	0	0	113	E58 G64 Q65 S180 H184	E58-Q182 PolarHBondContact OE2-NE2 2.99Å; G64-Q182 VanDerWaalsContact C-CD 3.42Å; G64-Q182 VanDerWaalsContact CA-CD 3.48Å; Q65-Q182 VanDerWaalsContact N-CD 3.26Å; Q65-Q182 VanDerWaalsContact N-OE1 3.14Å; S180-Q182 PolarHBondContact O-N 3.19Å; S180-Q182 VanDerWaalsContact O-N 3.09Å; S180-Q182 PolarHBondContact OG-N 3.46Å; Q182-H184 PolarHBondContact O-CE1 3.01Å; Q182-H184 VanDerWaalsContact O-CE1 3.32Å; Q182-H184 PolarHBondContact O-N 3.48Å; Q182-H184 PolarHBondContact O-ND1 3.47Å
183	A	89.9	Confident	94.9	Very high	13 Å²	13	39.4 Å²	39.4	11%	0.107	19%	0.189	C	C	.	.			trans	-75.4	93.8	172.2	0	0	0	0	0	110.6	Y162 Y176 S180	Y162-A183 HydrophobicContact CD1-CB 4.38Å; Y162-A183 HydrophobicContact CE1-CB 3.99Å; Y176-A183 HydrophobicContact CD2-CB 4.43Å; Y176-A183 WeakPolarHBondContact CE2-O 3.25Å; Y176-A183 WeakPolarHBondContact O-CB 3.24Å; S180-A183 VanDerWaalsContact O-CB 3.28Å; S180-A183 WeakPolarHBondContact O-CB 3.25Å; S180-A183 PolarHBondContact O-N 3.08Å
184	H	87.9	Confident	94.8	Very high	131 Å²	131	39.2 Å²	39.2	61%	0.606	19%	0.188	S	C	*	.			trans	-86.9	-10.3	179.1	-55.8	96.2	0	0	0	113.7	Q182	Q182-H184 PolarHBondContact O-CE1 3.01Å; Q182-H184 VanDerWaalsContact O-CE1 3.32Å; Q182-H184 PolarHBondContact O-N 3.48Å; Q182-H184 PolarHBondContact O-ND1 3.47Å
185	T	92.6	Very high	94.5	Very high	37 Å²	37	39.8 Å²	39.8	23%	0.227	20%	0.195	C	C	.	.			trans	-152.7	152	-177.4	177.9	0	0	0	0	109.6	Y176 Q187	Y176-T185 VanDerWaalsContact CD2-C 3.47Å; T185-Q187 VanDerWaalsContact C-N 3.25Å; T185-Q187 HydrophobicContact CG2-CB 3.97Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.25Å; T185-Q187 PolarHBondContact OG1-N 3.2Å
186	N	95.5	Very high	93.6	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.128	21%	0.213	C	C	.	.			trans	-85.3	7.1	169.3	63.6	-10.2	0	0	0	112.6	E138 V139 Y176 V188	E138-N186 CarbonylContact C-O 3.57Å; E138-N186 WeakPolarHBondContact CA-O 3.31Å; E138-N186 VanDerWaalsContact CG-OD1 3.3Å; E138-N186 WeakPolarHBondContact CG-OD1 3.41Å; E138-N186 PolarHBondContact OE2-ND2 3.41Å; E138-N186 PolarHBondContact OE2-OD1 3.24Å; V139-N186 PolarHBondContact N-O 3.46Å; Y176-N186 VanDerWaalsContact CB-CB 3.49Å; Y176-N186 HydrophobicContact CD1-CB 4Å; Y176-N186 HydrophobicContact CD2-CB 4.35Å; Y176-N186 HydrophobicContact CG-CB 3.68Å; N186-V188 PolarHBondContact O-N 2.89Å
187	Q	97	Very high	93.5	Very high	38 Å²	38	42 Å²	42	18%	0.178	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-65.7	114.3	177.7	-174.5	-176.6	2.7	0	0	110.6	K137 Q153 T185 Q189	K137-Q187 HydrophobicContact CB-CG 4.46Å; K137-Q187 CarbonylContact O-C 3.58Å; K137-Q187 WeakPolarHBondContact O-CA 3.48Å; Q153-Q187 WeakPolarHBondContact CA-O 3.49Å; Q153-Q187 HydrophobicContact CG-CB 4.24Å; Q153-Q187 HydrophobicContact CG-CG 4.03Å; T185-Q187 VanDerWaalsContact C-N 3.25Å; T185-Q187 HydrophobicContact CG2-CB 3.97Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.25Å; T185-Q187 PolarHBondContact OG1-N 3.2Å; Q187-Q189 HydrophobicContact CG-CG 4.3Å
188	V	97.4	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.			trans	-137.7	125.3	175.9	177.2	0	0	0	0	107.6	L129 K137 V139 A151 Y152 Y162 Y179 N186	L129-V188 HydrophobicContact CD1-CG1 4Å; L129-V188 WeakPolarHBondContact CD1-O 3.49Å; K137-V188 CarbonylContact O-C 3.59Å; K137-V188 PolarHBondContact O-N 3.32Å; K137-V188 VanDerWaalsContact O-O 3.04Å; V139-V188 HydrophobicContact CB-CB 4.08Å; V139-V188 HydrophobicContact CB-CG2 4.38Å; V139-V188 HydrophobicContact CG2-CB 3.81Å; V139-V188 HydrophobicContact CG2-CG1 4.28Å; A151-V188 HydrophobicContact CB-CG1 3.78Å; A151-V188 HydrophobicContact CB-CG2 4.38Å; Y152-V188 WeakPolarHBondContact O-CA 3.21Å; Y162-V188 HydrophobicContact CD2-CG2 4.37Å; Y162-V188 HydrophobicContact CE2-CG2 4.47Å; Y179-V188 HydrophobicContact CE2-CG2 4.41Å; N186-V188 PolarHBondContact O-N 2.89Å
189	Q	97.9	Very high	93.3	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.084	19%	0.188	C	C	.	.			trans	-131.5	-10.8	-174.1	-59.5	-166.9	-94.7	0	0	114.1	S128 L129 K137 Y152 Q153 P155 Q187	S128-Q189 WeakPolarHBondContact CA-O 3.43Å; L129-Q189 PolarHBondContact N-O 2.92Å; K137-Q189 HydrophobicContact CB-CG 4.28Å; Y152-Q189 PolarHBondContact O-N 3.04Å; Q153-Q189 WeakPolarHBondContact O-CB 3.24Å; Q153-Q189 VanDerWaalsContact O-CG 3.25Å; Q153-Q189 WeakPolarHBondContact O-CG 3.2Å; Q153-Q189 PolarHBondContact O-OE1 2.88Å; P155-Q189 HydrophobicContact CG-CB 3.94Å; Q187-Q189 HydrophobicContact CG-CG 4.3Å
190	S	97.9	Very high	93.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153	164.5	59.9	0	0	0	0	110.5	Y126 P127 Y152 F154 Y157	Y126-S190 VanDerWaalsContact O-CA 3.26Å; Y126-S190 WeakPolarHBondContact O-CA 3.33Å; Y126-S190 WeakPolarHBondContact O-CB 3.44Å; P127-S190 WeakPolarHBondContact O-CB 3.4Å; Y152-S190 WeakPolarHBondContact CB-OG 3.4Å; Y152-S190 PolarHBondContact N-O 3.05Å; Y152-S190 PolarHBondContact O-N 3.45Å; F154-S190 PolarHBondContact O-OG 3.27Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 2.87Å
191	I	98.1	Very high	93.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.3	-179.7	-164.9	175.4	0	0	0	108.5	V107 L109 M122 Y126 L129 W149 V150 A151	V107-I191 HydrophobicContact CG1-CD1 4.22Å; V107-I191 HydrophobicContact CG2-CD1 4.45Å; L109-I191 HydrophobicContact CD2-CD1 4.23Å; M122-I191 HydrophobicContact CE-CG2 3.56Å; M122-I191 HydrophobicContact SD-CG2 4.33Å; Y126-I191 PolarHBondContact N-O 3.12Å; Y126-I191 PolarHBondContact O-N 2.92Å; L129-I191 HydrophobicContact CD2-CG2 3.83Å; W149-I191 HydrophobicContact CB-CD1 4.28Å; W149-I191 HydrophobicContact CB-CG1 4.4Å; W149-I191 HydrophobicContact CE3-CD1 4.09Å; W149-I191 HydrophobicContact CE3-CG1 3.91Å; V150-I191 WeakPolarHBondContact O-CA 3.37Å; V150-I191 WeakPolarHBondContact O-CG1 3.41Å; A151-I191 HydrophobicContact CB-CD1 4.21Å; A151-I191 HydrophobicContact CB-CG1 4.06Å
192	R	97.9	Very high	93.5	Very high	33 Å²	33	39.4 Å²	39.4	13%	0.125	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.1	175.2	68.2	-179.6	-173.1	86.8	-14.2	111	E70 D125 W149 V150 Y152 Y157	E70-R192 IonicContact OE1-CZ 3.44Å; E70-R192 IonicContact OE1-NH1 3.72Å; E70-R192 PolarHBondContact OE1-NH1 3.19Å; E70-R192 IonicContact OE1-NH2 3.79Å; E70-R192 IonicContact OE2-CZ 3.75Å; E70-R192 IonicContact OE2-NH1 3.62Å; E70-R192 PolarHBondContact OE2-NH1 3.44Å; E70-R192 IonicContact OE2-NH2 2.98Å; E70-R192 PolarHBondContact OE2-NH2 2.84Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.08Å; D125-R192 WeakPolarHBondContact OD1-CB 3.09Å; W149-R192 WeakPolarHBondContact CA-O 3.39Å; W149-R192 VanDerWaalsContact CE3-C 3.43Å; V150-R192 HydrophobicContact CG1-CG 3.46Å; V150-R192 VanDerWaalsContact CG1-CG 3.46Å; V150-R192 PolarHBondContact N-O 3.17Å; V150-R192 PolarHBondContact O-N 2.94Å; Y152-R192 HydrophobicContact CE2-CG 4.08Å; Y152-R192 PolarHBondContact OH-NE 3.35Å; Y152-R192 VanDerWaalsContact OH-NE 3.11Å; Y157-R192 HydrophobicContact CD1-CB 4.37Å; Y157-R192 HydrophobicContact CD1-CG 4.33Å; Y157-R192 HydrophobicContact CE1-CB 3.78Å; Y157-R192 HydrophobicContact CE1-CG 4.22Å
193	R	98.1	Very high	94.1	Very high	34 Å²	34	40.6 Å²	40.6	13%	0.128	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.2	171	-57.3	168.4	-69.3	-167.8	4.7	109.1	H102 C123 D124 D125 W149	H102-R193 PolarHBondContact CE1-NE 3.06Å; C123-R193 WeakPolarHBondContact O-CD 3.1Å; C123-R193 PolarHBondContact O-NH1 3.35Å; D124-R193 IonicContact OD1-CZ 3.71Å; D124-R193 IonicContact OD1-NH1 2.76Å; D124-R193 PolarHBondContact OD1-NH1 2.63Å; D124-R193 IonicContact OD1-NH2 3.41Å; D124-R193 PolarHBondContact OD1-NH2 2.98Å; D125-R193 WeakPolarHBondContact OD1-CB 3.46Å; D125-R193 WeakPolarHBondContact OD1-CG 3.48Å; D125-R193 IonicContact OD1-CZ 2.75Å; D125-R193 PolarHBondContact OD1-N 3.11Å; D125-R193 IonicContact OD1-NE 2.82Å; D125-R193 PolarHBondContact OD1-NE 2.83Å; D125-R193 IonicContact OD1-NH2 3.73Å; D125-R193 IonicContact OD2-CZ 3.17Å; D125-R193 IonicContact OD2-NE 2.79Å; D125-R193 IonicContact OD2-NH2 3.79Å; D125-R193 PolarHBondContact OD2-NH2 2.9Å; W149-R193 HydrophobicContact CD2-CG 4.25Å; W149-R193 HydrophobicContact CE3-CG 3.95Å; W149-R193 HydrophobicContact CH2-CG 3.46Å; W149-R193 VanDerWaalsContact CH2-CG 3.46Å; W149-R193 HydrophobicContact CZ2-CG 3.75Å; W149-R193 HydrophobicContact CZ3-CG 3.57Å
194	I	96.8	Very high	94.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-85.3	134.7	172.8	-66.9	171.6	0	0	0	109	P53 I68 E70 I97 A100 A148 V150 I163	P53-I194 HydrophobicContact CB-CG2 3.64Å; P53-I194 HydrophobicContact CG-CG2 3.42Å; P53-I194 VanDerWaalsContact CG-CG2 3.42Å; I68-I194 HydrophobicContact CD1-CD1 3.67Å; I68-I194 HydrophobicContact CD1-CG1 3.99Å; I68-I194 HydrophobicContact CD1-CG2 3.8Å; I68-I194 HydrophobicContact CG1-CD1 4.36Å; I68-I194 HydrophobicContact CG1-CG1 4.25Å; I68-I194 HydrophobicContact CG1-CG2 4.37Å; E70-I194 HydrophobicContact CG-CG2 4.45Å; I97-I194 HydrophobicContact CD1-CD1 3.94Å; A100-I194 HydrophobicContact CB-CG2 4.1Å; A148-I194 HydrophobicContact CB-CB 4.33Å; A148-I194 HydrophobicContact CB-CD1 3.87Å; A148-I194 PolarHBondContact O-N 3.04Å; V150-I194 HydrophobicContact CB-CD1 4.44Å; V150-I194 HydrophobicContact CB-CG1 4.33Å; V150-I194 HydrophobicContact CG1-CG1 4.15Å; I163-I194 HydrophobicContact CG1-CD1 4.37Å; I163-I194 HydrophobicContact CG2-CD1 4.07Å
195	Q	90.8	Very high	94.9	Very high	106 Å²	106	35.3 Å²	35.3	50%	0.495	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-84.9	139.2	175.7	-60.9	-177	7.1	0	0	110.7	P53 E70	P53-Q195 WeakPolarHBondContact CB-O 3.43Å; P53-Q195 VanDerWaalsContact CG-O 3.27Å; P53-Q195 WeakPolarHBondContact CG-O 3.3Å; E70-Q195 HydrophobicContact CG-CB 4.36Å; E70-Q195 WeakPolarHBondContact OE1-CB 3.49Å; E70-Q195 PolarHBondContact OE1-N 2.91Å
196	H	79.1	Confident	95.1	Very high	134 Å²	134	35.2 Å²	35.2	62%	0.62	16%	0.16	S	C	*	.			trans	-107.4	0	175.8	63.1	-70.9	0	0	0	110.3	A100 H102	A100-H196 HydrophobicContact CB-CB 4.31Å; H102-H196 PolarHBondContact N-ND1 3.41Å

Retrieved 196 of 196 residues in 490 ms (Link to these results)

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