A0A3Q0KHJ2_SCHMA Loading...

Putative sm29; Sm29

AlphaFold DB , UniProt , Accession A0A3Q0KHJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	59.2	Low	239 Å²	239	124.5 Å²	124.5	100%	1.177	62%	0.617	S	S	*	*				0	104.1	0	-74.6	159.2	68.9	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 3.36Å
2	K	45.8	Very low	60.1	Low	163 Å²	163	122.8 Å²	122.8	71%	0.709	61%	0.611	S	S	*	*			trans	-65.4	120.1	171.8	-78.1	-173.4	171.6	-172	0	107.3
3	S	54.6	Low	61.1	Low	65 Å²	65	126 Å²	126	46%	0.455	61%	0.614	S	S	.	*			trans	-66.8	141.3	-171.8	83.3	0	0	0	0	109.7	M1 W5 E6	M1-S3 PolarHBondContact O-N 3.36Å; S3-W5 PolarHBondContact O-N 3.2Å; S3-E6 PolarHBondContact O-N 3Å
4	G	54.5	Low	61.8	Low	47 Å²	47	122.9 Å²	122.9	49%	0.485	60%	0.6	S	S	.	*	H	α-helix	trans	-54.5	-12.7	-179.3	0	0	0	0	0	114.9	Y7 I8	G4-Y7 PolarHBondContact O-N 3.07Å; G4-I8 WeakPolarHBondContact O-CG1 3.44Å; G4-I8 PolarHBondContact O-N 3.34Å
5	W	54.6	Low	61.9	Low	209 Å²	209	120.3 Å²	120.3	79%	0.792	59%	0.588	S	S	*	*	H	α-helix	trans	-66.9	-32.9	174.2	-68.4	92.5	0	0	0	114.1	S3 Y7 I8 G9	S3-W5 PolarHBondContact O-N 3.2Å; W5-Y7 VanDerWaalsContact C-N 3.34Å; W5-Y7 PolarHBondContact O-N 2.99Å; W5-I8 PolarHBondContact O-N 2.96Å; W5-G9 PolarHBondContact O-N 3.44Å; W5-G9 VanDerWaalsContact O-N 3.08Å
6	E	57.4	Low	62	Low	104 Å²	104	118.6 Å²	118.6	49%	0.486	59%	0.586	S	S	.	*	H	α-helix	trans	-66.7	-37	176.5	-73	-175.9	165.6	0	0	111.6	S3 G9 I10	S3-E6 PolarHBondContact O-N 3Å; E6-G9 PolarHBondContact O-N 3.02Å; E6-I10 WeakPolarHBondContact O-CG1 3.25Å; E6-I10 PolarHBondContact O-N 3.39Å; E6-I10 VanDerWaalsContact O-N 3.11Å
7	Y	59.3	Low	61.8	Low	164 Å²	164	115.4 Å²	115.4	64%	0.643	57%	0.572	S	S	*	*	H	α-helix	trans	-70.7	-37.9	178.3	-77.3	-84.4	0	0	0	112.4	G4 W5 I10 F11	G4-Y7 PolarHBondContact O-N 3.07Å; W5-Y7 VanDerWaalsContact C-N 3.34Å; W5-Y7 PolarHBondContact O-N 2.99Å; Y7-I10 PolarHBondContact O-N 3.36Å; Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.17Å
8	I	67.8	Low	61.6	Low	95 Å²	95	112.8 Å²	112.8	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-65.3	-41.2	174.9	-66.6	168.1	0	0	0	110.5	G4 W5 F11 L12	G4-I8 WeakPolarHBondContact O-CG1 3.44Å; G4-I8 PolarHBondContact O-N 3.34Å; W5-I8 PolarHBondContact O-N 2.96Å; I8-F11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 3.83Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.06Å
9	G	66.3	Low	61	Low	40 Å²	40	112.3 Å²	112.3	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-61.4	-43.6	176.4	0	0	0	0	0	113	W5 E6 Y13	W5-G9 PolarHBondContact O-N 3.44Å; W5-G9 VanDerWaalsContact O-N 3.08Å; E6-G9 PolarHBondContact O-N 3.02Å; G9-Y13 WeakPolarHBondContact O-CB 3.28Å; G9-Y13 PolarHBondContact O-N 3.14Å
10	I	73.1	Confident	60.5	Low	99 Å²	99	111.6 Å²	111.6	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-42.3	175.6	-67.2	165.3	0	0	0	110.8	E6 Y7 Y13 I14	E6-I10 WeakPolarHBondContact O-CG1 3.25Å; E6-I10 PolarHBondContact O-N 3.39Å; E6-I10 VanDerWaalsContact O-N 3.11Å; Y7-I10 PolarHBondContact O-N 3.36Å; I10-Y13 PolarHBondContact O-N 3.05Å; I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.37Å
11	F	72.3	Confident	59.8	Low	144 Å²	144	114.2 Å²	114.2	63%	0.632	57%	0.565	S	S	*	*	H	α-helix	trans	-65.4	-41.8	179.9	-155.6	-87.6	0	0	0	112	Y7 I8 I14 M15	Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.17Å; I8-F11 PolarHBondContact O-N 3.02Å; F11-I14 PolarHBondContact O-N 3.39Å; F11-M15 HydrophobicContact CD1-CG 4.29Å; F11-M15 HydrophobicContact CE1-CG 4.15Å; F11-M15 WeakPolarHBondContact O-CB 3.01Å; F11-M15 PolarHBondContact O-N 3.44Å
12	L	70.7	Confident	59.7	Low	105 Å²	105	110.1 Å²	110.1	55%	0.55	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-41.9	173.9	-77.2	168	0	0	0	111.8	I8 I14 M15 V16	I8-L12 HydrophobicContact CG2-CD1 3.83Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.06Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.36Å; L12-M15 PolarHBondContact O-N 3.35Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 2.96Å; L12-V16 PolarHBondContact O-N 3.49Å
13	Y	73.1	Confident	59.6	Low	164 Å²	164	112.5 Å²	112.5	64%	0.643	55%	0.547	S	S	*	.	H	α-helix	trans	-61.9	-41.3	176	178.6	-97.1	0	0	0	112.1	G9 I10 N17	G9-Y13 WeakPolarHBondContact O-CB 3.28Å; G9-Y13 PolarHBondContact O-N 3.14Å; I10-Y13 PolarHBondContact O-N 3.05Å; Y13-N17 WeakPolarHBondContact CE1-ND2 3.29Å; Y13-N17 VanDerWaalsContact CE2-ND2 3.35Å; Y13-N17 WeakPolarHBondContact CE2-ND2 3.18Å; Y13-N17 WeakPolarHBondContact O-CB 3.3Å; Y13-N17 PolarHBondContact O-N 3.04Å; Y13-N17 PolarHBondContact O-ND2 3.11Å
14	I	71.1	Confident	59.2	Low	82 Å²	82	112.7 Å²	112.7	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-66.2	-46.7	175.3	-68.5	168	0	0	0	110.4	I10 F11 L12 V16 N17 I18	I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.44Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.37Å; I10-I14 PolarHBondContact O-N 3.37Å; F11-I14 PolarHBondContact O-N 3.39Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.36Å; I14-V16 PolarHBondContact O-N 3.25Å; I14-N17 PolarHBondContact O-N 3.05Å; I14-I18 HydrophobicContact CG2-CD1 3.48Å; I14-I18 VanDerWaalsContact CG2-CD1 3.48Å; I14-I18 HydrophobicContact CG2-CG1 4.16Å; I14-I18 WeakPolarHBondContact O-CB 3.36Å; I14-I18 WeakPolarHBondContact O-CG1 3.44Å; I14-I18 PolarHBondContact O-N 3.11Å
15	M	62	Low	59.2	Low	85 Å²	85	118.8 Å²	118.8	42%	0.419	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-42.3	177.9	-93.5	-76.9	132.9	0	0	112.8	F11 L12 I18 L19	F11-M15 HydrophobicContact CD1-CG 4.29Å; F11-M15 HydrophobicContact CE1-CG 4.15Å; F11-M15 WeakPolarHBondContact O-CB 3.01Å; F11-M15 PolarHBondContact O-N 3.44Å; L12-M15 PolarHBondContact O-N 3.35Å; M15-I18 HydrophobicContact CE-CD1 4.48Å; M15-I18 PolarHBondContact O-N 3.31Å; M15-L19 VanDerWaalsContact O-CB 3.27Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 WeakPolarHBondContact O-CG 3.24Å; M15-L19 PolarHBondContact O-N 2.68Å
16	V	64	Low	60.2	Low	93 Å²	93	110.9 Å²	110.9	56%	0.564	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-45	175.2	172	0	0	0	0	110.2	L12 I14 I18 L19 D20	L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 2.96Å; L12-V16 PolarHBondContact O-N 3.49Å; I14-V16 PolarHBondContact O-N 3.25Å; V16-I18 VanDerWaalsContact C-N 3.35Å; V16-I18 PolarHBondContact O-N 3.46Å; V16-L19 PolarHBondContact O-N 3.13Å; V16-D20 VanDerWaalsContact O-CB 3.24Å; V16-D20 WeakPolarHBondContact O-CB 3.08Å; V16-D20 PolarHBondContact O-N 2.8Å
17	N	58.1	Low	61.5	Low	63 Å²	63	106.3 Å²	106.3	34%	0.337	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-33.5	176.1	-84.9	-74.9	0	0	0	113.4	Y13 I14 K21	Y13-N17 WeakPolarHBondContact CE1-ND2 3.29Å; Y13-N17 VanDerWaalsContact CE2-ND2 3.35Å; Y13-N17 WeakPolarHBondContact CE2-ND2 3.18Å; Y13-N17 WeakPolarHBondContact O-CB 3.3Å; Y13-N17 PolarHBondContact O-N 3.04Å; Y13-N17 PolarHBondContact O-ND2 3.11Å; I14-N17 PolarHBondContact O-N 3.05Å; N17-K21 VanDerWaalsContact O-CB 3.27Å; N17-K21 WeakPolarHBondContact O-CB 3.23Å; N17-K21 WeakPolarHBondContact O-CG 3.47Å; N17-K21 PolarHBondContact O-N 3.06Å
18	I	58.5	Low	62.9	Low	69 Å²	69	103.3 Å²	103.3	35%	0.354	51%	0.507	S	S	.	.	H	α-helix	trans	-71.1	-43.8	175.3	-70.7	170.7	0	0	0	110.2	I14 M15 V16 D20 K21 Q22	I14-I18 HydrophobicContact CG2-CD1 3.48Å; I14-I18 VanDerWaalsContact CG2-CD1 3.48Å; I14-I18 HydrophobicContact CG2-CG1 4.16Å; I14-I18 WeakPolarHBondContact O-CB 3.36Å; I14-I18 WeakPolarHBondContact O-CG1 3.44Å; I14-I18 PolarHBondContact O-N 3.11Å; M15-I18 HydrophobicContact CE-CD1 4.48Å; M15-I18 PolarHBondContact O-N 3.31Å; V16-I18 VanDerWaalsContact C-N 3.35Å; V16-I18 PolarHBondContact O-N 3.46Å; I18-D20 VanDerWaalsContact C-N 3.35Å; I18-K21 CarbonylContact O-C 3.1Å; I18-K21 PolarHBondContact O-N 3.35Å; I18-Q22 WeakPolarHBondContact O-CB 3.39Å; I18-Q22 WeakPolarHBondContact O-CG 3.48Å; I18-Q22 PolarHBondContact O-N 3.11Å
19	L	51.2	Low	63.9	Low	103 Å²	103	98.8 Å²	98.8	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-36.8	176.3	-80.5	162.4	0	0	0	111.9	M15 V16 Q22 R23	M15-L19 VanDerWaalsContact O-CB 3.27Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 WeakPolarHBondContact O-CG 3.24Å; M15-L19 PolarHBondContact O-N 2.68Å; V16-L19 PolarHBondContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 2.87Å; L19-R23 WeakPolarHBondContact O-CB 3.32Å; L19-R23 PolarHBondContact O-N 3.42Å
20	D	49.6	Very low	64.9	Low	98 Å²	98	98.7 Å²	98.7	52%	0.524	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-42.2	174.8	-148.1	36.9	0	0	0	110.4	V16 I18 Q22 R23 C24	V16-D20 VanDerWaalsContact O-CB 3.24Å; V16-D20 WeakPolarHBondContact O-CB 3.08Å; V16-D20 PolarHBondContact O-N 2.8Å; I18-D20 VanDerWaalsContact C-N 3.35Å; D20-Q22 PolarHBondContact O-N 2.68Å; D20-R23 PolarHBondContact O-N 2.87Å; D20-C24 WeakPolarHBondContact O-CB 3.47Å; D20-C24 PolarHBondContact O-N 2.99Å; D20-C24 PolarHBondContact O-SG 2.87Å
21	K	47.2	Very low	65.6	Low	167 Å²	167	97 Å²	97	73%	0.726	47%	0.465	S	S	*	.	H	α-helix	trans	-64.2	-33.8	170.5	-84.9	-176	174	-178.1	0	113.9	N17 I18 C24	N17-K21 VanDerWaalsContact O-CB 3.27Å; N17-K21 WeakPolarHBondContact O-CB 3.23Å; N17-K21 WeakPolarHBondContact O-CG 3.47Å; N17-K21 PolarHBondContact O-N 3.06Å; I18-K21 CarbonylContact O-C 3.1Å; I18-K21 PolarHBondContact O-N 3.35Å; K21-C24 PolarHBondContact O-N 2.84Å
22	Q	43.6	Very low	65.9	Low	153 Å²	153	91.2 Å²	91.2	72%	0.715	44%	0.443	S	S	*	.	H	α-helix	trans	-79.1	-23.7	177	-83.5	-176.1	-34	0	0	112.9	I18 L19 D20 C24	I18-Q22 WeakPolarHBondContact O-CB 3.39Å; I18-Q22 WeakPolarHBondContact O-CG 3.48Å; I18-Q22 PolarHBondContact O-N 3.11Å; L19-Q22 PolarHBondContact O-N 2.87Å; D20-Q22 PolarHBondContact O-N 2.68Å; Q22-C24 VanDerWaalsContact C-N 3.27Å
23	R	42.9	Very low	66.4	Low	213 Å²	213	89 Å²	89	80%	0.804	43%	0.431	S	S	*	.	H	α-helix	trans	-73.6	-19.2	165.8	-102.3	-178	170.8	171.7	-1.2	113	L19 D20	L19-R23 WeakPolarHBondContact O-CB 3.32Å; L19-R23 PolarHBondContact O-N 3.42Å; D20-R23 PolarHBondContact O-N 2.87Å
24	C	46.8	Very low	66.4	Low	70 Å²	70	82.3 Å²	82.3	47%	0.473	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	90.9	-173.2	-73.4	0	0	0	0	111	D20 K21 Q22	D20-C24 WeakPolarHBondContact O-CB 3.47Å; D20-C24 PolarHBondContact O-N 2.99Å; D20-C24 PolarHBondContact O-SG 2.87Å; K21-C24 PolarHBondContact O-N 2.84Å; Q22-C24 VanDerWaalsContact C-N 3.27Å
25	H	54.3	Low	66.5	Low	175 Å²	175	78.7 Å²	78.7	81%	0.81	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.9	33.6	137.9	-90.2	-61	0	0	0	110.6	V27	H25-V27 PolarHBondContact O-N 2.69Å
26	S	74.6	Confident	66.8	Low	43 Å²	43	75.1 Å²	75.1	30%	0.301	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-73.1	119.1	168.6	64.9	0	0	0	0	109.9	N47	S26-N47 WeakPolarHBondContact CB-O 3.36Å; S26-N47 WeakPolarHBondContact OG-CB 3.32Å
27	V	85.1	Confident	67	Low	8 Å²	8	75.1 Å²	75.1	5%	0.048	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-90	135.5	174.8	-171.8	0	0	0	0	108.2	H25 C49 C52 T85 D86	H25-V27 PolarHBondContact O-N 2.69Å; V27-C49 HydrophobicContact CB-CB 4.48Å; V27-C49 PolarHBondContact N-O 2.79Å; V27-C49 WeakPolarHBondContact O-CB 3.41Å; V27-C49 PolarHBondContact O-SG 2.8Å; V27-C52 VanDerWaalsContact CG1-SG 3.6Å; V27-T85 WeakPolarHBondContact CG1-O 3.34Å; V27-D86 WeakPolarHBondContact CA-OD1 3.27Å
28	R	88	Confident	67.4	Low	101 Å²	101	73.1 Å²	73.1	38%	0.381	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-84.6	135.9	166.6	-68.4	179.9	-64	163.3	2.1	109.4	I43 C52 D86 L87	R28-I43 HydrophobicContact CB-CG2 4.24Å; R28-C52 PolarHBondContact O-SG 2.86Å; R28-D86 IonicContact CZ-OD2 3.32Å; R28-D86 PolarHBondContact N-OD1 2.01Å; R28-D86 IonicContact NE-OD2 3.25Å; R28-D86 PolarHBondContact NE-OD2 3.09Å; R28-D86 IonicContact NH2-OD2 2.84Å; R28-D86 PolarHBondContact NH2-OD2 3.31Å; R28-L87 HydrophobicContact CB-CD2 3.99Å; R28-L87 HydrophobicContact CB-CG 4.47Å; R28-L87 PolarHBondContact O-N 3.35Å
29	C	89.3	Confident	67.8	Low	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.			trans	-125.6	153.2	-178.3	-59.4	0	0	0	0	111	I43 S44 S51 C52 C65	C29-I43 CarbonylContact O-C 3.57Å; C29-I43 WeakPolarHBondContact O-CA 3.01Å; C29-S44 PolarHBondContact N-OG 3Å; C29-S44 PolarHBondContact O-N 3.09Å; C29-S44 PolarHBondContact O-OG 3.25Å; C29-S51 PolarHBondContact SG-O 3.19Å; C29-C52 WeakPolarHBondContact CA-SG 3.02Å; C29-C52 HydrophobicContact CB-CB 3.69Å; C29-C52 WeakPolarHBondContact CB-SG 3.44Å; C29-C52 WeakPolarHBondContact SG-CA 3.4Å; C29-C52 WeakPolarHBondContact SG-CB 3.4Å; C29-C52 CovalentContact SG-SG 2.03Å; C29-C52 PolarHBondContact SG-SG 3.03Å; C29-C65 HydrophobicContact CB-CB 4.23Å
30	Y	86.8	Confident	68.8	Low	38 Å²	38	72 Å²	72	15%	0.149	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-74	130.8	160	-65.2	-70.9	0	0	0	109.4	V38 T39 S42 I43 R63 L87 N89	Y30-V38 HydrophobicContact CD1-CB 3.57Å; Y30-V38 HydrophobicContact CD1-CG1 4.11Å; Y30-V38 HydrophobicContact CD1-CG2 3.96Å; Y30-V38 HydrophobicContact CD2-CB 4.11Å; Y30-V38 HydrophobicContact CD2-CG1 4.26Å; Y30-V38 HydrophobicContact CD2-CG2 3.77Å; Y30-V38 HydrophobicContact CE1-CB 3.86Å; Y30-V38 HydrophobicContact CE1-CG2 3.87Å; Y30-V38 HydrophobicContact CE2-CB 4.36Å; Y30-V38 HydrophobicContact CE2-CG2 3.68Å; Y30-V38 HydrophobicContact CG-CB 3.67Å; Y30-V38 HydrophobicContact CG-CG1 3.76Å; Y30-V38 HydrophobicContact CG-CG2 3.87Å; Y30-T39 WeakPolarHBondContact CE1-O 3.36Å; Y30-S42 CarbonylContact C-O 3.44Å; Y30-S42 VanDerWaalsContact CA-O 3.24Å; Y30-S42 WeakPolarHBondContact CA-O 3.08Å; Y30-S42 WeakPolarHBondContact CD1-OG 2.98Å; Y30-I43 HydrophobicContact CD1-CG1 3.87Å; Y30-I43 HydrophobicContact CE1-CD1 4.21Å; Y30-I43 HydrophobicContact CE1-CG1 3.56Å; Y30-R63 CarbonylContact O-C 3.56Å; Y30-R63 VanDerWaalsContact O-CB 3.32Å; Y30-R63 WeakPolarHBondContact O-CB 3.12Å; Y30-L87 HydrophobicContact CD2-CB 4.25Å; Y30-L87 HydrophobicContact CD2-CD2 4.29Å; Y30-L87 HydrophobicContact CE1-CD2 4.37Å; Y30-L87 HydrophobicContact CE2-CB 3.65Å; Y30-L87 HydrophobicContact CE2-CD2 4.06Å; Y30-L87 HydrophobicContact CE2-CG 4.31Å; Y30-N89 PolarHBondContact N-OD1 3.04Å; Y30-N89 PolarHBondContact O-ND2 3.28Å
31	V	87.6	Confident	69.7	Low	63 Å²	63	72 Å²	72	38%	0.382	36%	0.364	S	S	.	.			trans	-125.9	111.3	-179.6	-172.4	0	0	0	0	107.6	S42 R63 C65	V31-S42 PolarHBondContact N-O 2.02Å; V31-R63 CarbonylContact C-O 3.54Å; V31-R63 VanDerWaalsContact CA-O 3.29Å; V31-R63 WeakPolarHBondContact CA-O 3.36Å; V31-C65 HydrophobicContact CG2-CB 3.79Å
32	C	80.1	Confident	70.9	Confident	23 Å²	23	64.8 Å²	64.8	16%	0.155	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-168.3	150.9	177.8	46.8	0	0	0	0	111.3	C35 R63	C32-C35 HydrophobicContact CB-CB 3.57Å; C32-C35 WeakPolarHBondContact CB-SG 3.33Å; C32-C35 PolarHBondContact O-SG 3.49Å; C32-C35 WeakPolarHBondContact SG-CB 3.39Å; C32-C35 CovalentContact SG-SG 2.01Å; C32-C35 PolarHBondContact SG-SG 3.05Å; C32-R63 PolarHBondContact N-O 2.88Å; C32-R63 PolarHBondContact O-N 3.25Å
33	D	80.2	Confident	72.7	Confident	59 Å²	59	59.7 Å²	59.7	32%	0.316	31%	0.312	S	S	.	.	S	Bend	trans	-97.8	140.9	171.2	-62.6	-57.3	0	0	0	110.2	C35 H62 S136	D33-C35 VanDerWaalsContact C-N 3.32Å; D33-C35 PolarHBondContact O-N 3.25Å; D33-H62 IonicContact OD1-CE1 2.9Å; D33-H62 IonicContact OD1-ND1 3.86Å; D33-H62 PolarHBondContact OD1-ND1 2.75Å; D33-S136 PolarHBondContact OD2-OG 2.87Å
34	Y	74.3	Confident	74.6	Confident	23 Å²	23	50.2 Å²	50.2	9%	0.09	28%	0.278	C	S	.	.	S	Bend	trans	51.4	48.7	176.7	-52.3	-87.8	0	0	0	113.1	P36 Y59 I61 H62 T133 D153 Q155 I156	Y34-P36 WeakPolarHBondContact O-CD 3.07Å; Y34-Y59 CarbonylContact C-O 3.45Å; Y34-Y59 WeakPolarHBondContact CA-O 3.02Å; Y34-I61 CarbonylContact C-O 3.42Å; Y34-I61 VanDerWaalsContact CA-O 3.24Å; Y34-I61 WeakPolarHBondContact CA-O 3.29Å; Y34-I61 PolarHBondContact N-O 3.06Å; Y34-H62 AromaticContact CD1-NE2 3.92Å; Y34-H62 AromaticContact CD2-CE1 3.69Å; Y34-H62 AromaticContact CE1-CE1 3.85Å; Y34-H62 AromaticContact CE1-NE2 3.68Å; Y34-H62 AromaticContact CE2-CE1 3.4Å; Y34-H62 WeakPolarHBondContact CE2-CE1 3.39Å; Y34-H62 AromaticContact CZ-CE1 3.52Å; Y34-H62 AromaticContact CZ-NE2 3.78Å; Y34-T133 WeakPolarHBondContact O-CB 3.34Å; Y34-T133 WeakPolarHBondContact O-CG2 3.38Å; Y34-T133 PolarHBondContact O-OG1 3.43Å; Y34-D153 PolarHBondContact OH-OD2 2.82Å; Y34-Q155 HydrophobicContact CD2-CB 4.24Å; Y34-Q155 HydrophobicContact CE2-CB 3.92Å; Y34-Q155 HydrophobicContact CE2-CG 4.24Å; Y34-Q155 PolarHBondContact OH-NE2 3.23Å; Y34-I156 HydrophobicContact CD1-CD1 3.4Å; Y34-I156 VanDerWaalsContact CD1-CD1 3.4Å; Y34-I156 HydrophobicContact CD1-CG1 3.64Å; Y34-I156 HydrophobicContact CE1-CD1 3.81Å; Y34-I156 HydrophobicContact CE1-CG1 4.04Å; Y34-I156 HydrophobicContact CG-CD1 4.4Å; Y34-I156 HydrophobicContact CG-CG1 4.28Å
35	C	73.4	Confident	75.7	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.041	30%	0.299	C	S	.	.			trans	-122.3	83	-173.7	59.5	0	0	0	0	111.9	C32 D33 I37 I61 R63	C32-C35 HydrophobicContact CB-CB 3.57Å; C32-C35 WeakPolarHBondContact CB-SG 3.33Å; C32-C35 PolarHBondContact O-SG 3.49Å; C32-C35 WeakPolarHBondContact SG-CB 3.39Å; C32-C35 CovalentContact SG-SG 2.01Å; C32-C35 PolarHBondContact SG-SG 3.05Å; D33-C35 VanDerWaalsContact C-N 3.32Å; D33-C35 PolarHBondContact O-N 3.25Å; C35-I37 PolarHBondContact O-N 3.26Å; C35-I61 PolarHBondContact N-O 2.75Å; C35-R63 PolarHBondContact O-NE 2.74Å
36	P	68	Low	76.3	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.058	29%	0.286	C	S	.	.	S	Bend	trans	-60.9	-27.8	173.7	24.4	-34	0	0	0	112.7	Y34 Y59 I61 R63 F142	Y34-P36 WeakPolarHBondContact O-CD 3.07Å; P36-Y59 HydrophobicContact CG-CD1 3.91Å; P36-I61 HydrophobicContact CB-CD1 4.28Å; P36-R63 PolarHBondContact O-NH2 2.91Å; P36-F142 HydrophobicContact CG-CD1 4.29Å; P36-F142 HydrophobicContact CG-CD2 4.24Å; P36-F142 HydrophobicContact CG-CE1 4.08Å; P36-F142 HydrophobicContact CG-CE2 4.02Å; P36-F142 HydrophobicContact CG-CG 4.36Å; P36-F142 HydrophobicContact CG-CZ 3.93Å
37	I	67.2	Low	75.7	Confident	93 Å²	93	55.6 Å²	55.6	48%	0.477	30%	0.295	S	S	.	.	S	Bend	trans	-121.5	138	178.3	-50.5	178	0	0	0	108.6	C35 L114 F142	C35-I37 PolarHBondContact O-N 3.26Å; I37-L114 HydrophobicContact CB-CD1 4.26Å; I37-L114 HydrophobicContact CG2-CD1 3.93Å; I37-L114 WeakPolarHBondContact O-CD2 3.44Å; I37-F142 HydrophobicContact CB-CE1 4.12Å; I37-F142 HydrophobicContact CD1-CD1 3.95Å; I37-F142 HydrophobicContact CD1-CE1 4.21Å; I37-F142 HydrophobicContact CG1-CD1 4.33Å; I37-F142 HydrophobicContact CG1-CE1 4.21Å
38	V	67.7	Low	75.4	Confident	22 Å²	22	59.8 Å²	59.8	13%	0.133	32%	0.317	C	S	.	.			trans	-111.7	155.7	-179.3	-65.7	0	0	0	0	111.7	Y30 R63	Y30-V38 HydrophobicContact CD1-CB 3.57Å; Y30-V38 HydrophobicContact CD1-CG1 4.11Å; Y30-V38 HydrophobicContact CD1-CG2 3.96Å; Y30-V38 HydrophobicContact CD2-CB 4.11Å; Y30-V38 HydrophobicContact CD2-CG1 4.26Å; Y30-V38 HydrophobicContact CD2-CG2 3.77Å; Y30-V38 HydrophobicContact CE1-CB 3.86Å; Y30-V38 HydrophobicContact CE1-CG2 3.87Å; Y30-V38 HydrophobicContact CE2-CB 4.36Å; Y30-V38 HydrophobicContact CE2-CG2 3.68Å; Y30-V38 HydrophobicContact CG-CB 3.67Å; Y30-V38 HydrophobicContact CG-CG1 3.76Å; Y30-V38 HydrophobicContact CG-CG2 3.87Å; V38-R63 VanDerWaalsContact CG1-NE 3.31Å
39	T	65.5	Low	75.4	Confident	50 Å²	50	55 Å²	55	31%	0.307	30%	0.299	S	S	.	.			trans	-141.4	173.9	174.9	43.7	0	0	0	0	111	Y30 V41 S42 L114	Y30-T39 WeakPolarHBondContact CE1-O 3.36Å; T39-V41 PolarHBondContact O-N 3.33Å; T39-V41 VanDerWaalsContact O-N 3.11Å; T39-V41 WeakPolarHBondContact OG1-CG2 3.47Å; T39-S42 PolarHBondContact N-OG 3.1Å; T39-S42 PolarHBondContact O-N 2.79Å; T39-S42 PolarHBondContact O-OG 3.14Å; T39-L114 HydrophobicContact CG2-CB 4.35Å; T39-L114 HydrophobicContact CG2-CD1 3.25Å; T39-L114 HydrophobicContact CG2-CG 4.41Å
40	S	72.7	Confident	75.4	Confident	97 Å²	97	58 Å²	58	68%	0.678	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.7	177.9	52.5	0	0	0	0	114.4	S42 I43	S40-S42 PolarHBondContact O-N 2.94Å; S40-I43 WeakPolarHBondContact O-CB 3.41Å; S40-I43 WeakPolarHBondContact O-CG1 3.48Å; S40-I43 PolarHBondContact O-N 2.03Å; S40-I43 VanDerWaalsContact O-N 3.17Å
41	V	67.6	Low	75.6	Confident	100 Å²	100	56.6 Å²	56.6	61%	0.606	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-70	-16.7	175.6	-77.5	0	0	0	0	114.2	T39	T39-V41 PolarHBondContact O-N 3.33Å; T39-V41 VanDerWaalsContact O-N 3.11Å; T39-V41 WeakPolarHBondContact OG1-CG2 3.47Å
42	S	72.6	Confident	75.8	Confident	15 Å²	15	53.6 Å²	53.6	11%	0.105	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-91.2	2.3	173.2	44.6	0	0	0	0	112.5	Y30 V31 T39 S40	Y30-S42 CarbonylContact C-O 3.44Å; Y30-S42 VanDerWaalsContact CA-O 3.24Å; Y30-S42 WeakPolarHBondContact CA-O 3.08Å; Y30-S42 WeakPolarHBondContact CD1-OG 2.98Å; V31-S42 PolarHBondContact N-O 2.02Å; T39-S42 PolarHBondContact N-OG 3.1Å; T39-S42 PolarHBondContact O-N 2.79Å; T39-S42 PolarHBondContact O-OG 3.14Å; S40-S42 PolarHBondContact O-N 2.94Å
43	I	81.9	Confident	76.3	Confident	45 Å²	45	52.5 Å²	52.5	23%	0.231	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-74.6	133.3	179.2	-61.7	175.6	0	0	0	109.3	R28 C29 Y30 S40 E45 L87	R28-I43 HydrophobicContact CB-CG2 4.24Å; C29-I43 CarbonylContact O-C 3.57Å; C29-I43 WeakPolarHBondContact O-CA 3.01Å; Y30-I43 HydrophobicContact CD1-CG1 3.87Å; Y30-I43 HydrophobicContact CE1-CD1 4.21Å; Y30-I43 HydrophobicContact CE1-CG1 3.56Å; S40-I43 WeakPolarHBondContact O-CB 3.41Å; S40-I43 WeakPolarHBondContact O-CG1 3.48Å; S40-I43 PolarHBondContact O-N 2.03Å; S40-I43 VanDerWaalsContact O-N 3.17Å; I43-E45 PolarHBondContact O-N 2.85Å; I43-L87 HydrophobicContact CB-CD2 4.46Å; I43-L87 HydrophobicContact CD1-CD1 4.09Å; I43-L87 HydrophobicContact CD1-CD2 4.1Å; I43-L87 HydrophobicContact CG1-CD2 3.84Å; I43-L87 HydrophobicContact CG2-CD2 3.97Å
44	S	82.5	Confident	76.7	Confident	15 Å²	15	49.9 Å²	49.9	11%	0.105	27%	0.274	C	S	.	.			trans	-53.6	125.8	174.8	56.6	0	0	0	0	111	C29 E46	C29-S44 PolarHBondContact N-OG 3Å; C29-S44 PolarHBondContact O-N 3.09Å; C29-S44 PolarHBondContact O-OG 3.25Å; S44-E46 VanDerWaalsContact C-N 3.29Å
45	E	70.8	Confident	77.3	Confident	196 Å²	196	48.9 Å²	48.9	92%	0.916	27%	0.27	S	S	*	.	S	Bend	trans	-70	-30.1	176.3	-63.3	-171	168.8	0	0	111.9	I43	I43-E45 PolarHBondContact O-N 2.85Å
46	E	65.7	Low	77.5	Confident	112 Å²	112	48.9 Å²	48.9	52%	0.523	27%	0.271	S	S	.	.			trans	-90.7	122.6	-178.4	-65.2	-170	-169.6	0	0	111.6	S44 N48	S44-E46 VanDerWaalsContact C-N 3.29Å; E46-N48 HydrophobicContact CB-CB 4.24Å; E46-N48 PolarHBondContact O-N 3.11Å; E46-N48 PolarHBondContact OE2-ND2 3.28Å
47	N	63.6	Low	77.7	Confident	93 Å²	93	53.2 Å²	53.2	50%	0.497	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	54.3	169.3	-76.2	-15	0	0	0	110.1	S26	S26-N47 WeakPolarHBondContact CB-O 3.36Å; S26-N47 WeakPolarHBondContact OG-CB 3.32Å
48	N	78.6	Confident	77.8	Confident	95 Å²	95	50 Å²	50	51%	0.508	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-1.8	-174	-56.6	-7	0	0	0	112.4	E46 T50 F67	E46-N48 HydrophobicContact CB-CB 4.24Å; E46-N48 PolarHBondContact O-N 3.11Å; E46-N48 PolarHBondContact OE2-ND2 3.28Å; N48-T50 PolarHBondContact O-N 2.94Å; N48-F67 HydrophobicContact CB-CD1 4.36Å; N48-F67 HydrophobicContact CB-CE1 4.05Å
49	C	87.1	Confident	77.7	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-71.4	132.9	179.5	-38.7	0	0	0	0	109.9	V27 C65 V66	V27-C49 HydrophobicContact CB-CB 4.48Å; V27-C49 PolarHBondContact N-O 2.79Å; V27-C49 WeakPolarHBondContact O-CB 3.41Å; V27-C49 PolarHBondContact O-SG 2.8Å; C49-C65 VanDerWaalsContact CA-SG 3.5Å; C49-C65 HydrophobicContact CB-CB 4.08Å; C49-C65 WeakPolarHBondContact CB-SG 3.25Å; C49-C65 WeakPolarHBondContact SG-CB 3.44Å; C49-C65 CovalentContact SG-SG 2.01Å; C49-C65 PolarHBondContact SG-SG 2.92Å; C49-V66 CarbonylContact C-O 3.46Å; C49-V66 WeakPolarHBondContact CA-O 3.36Å
50	T	88.9	Confident	78	Confident	62 Å²	62	49.4 Å²	49.4	38%	0.38	27%	0.265	S	S	.	.	S	Bend	trans	-79.8	-27.1	166.5	32.8	0	0	0	0	111.4	N48 V66 F67 E68	N48-T50 PolarHBondContact O-N 2.94Å; T50-V66 PolarHBondContact N-O 3.42Å; T50-V66 PolarHBondContact OG1-O 3.02Å; T50-F67 PolarHBondContact OG1-O 2.75Å; T50-E68 HydrophobicContact CG2-CG 3.85Å; T50-E68 PolarHBondContact OG1-N 2.73Å
51	S	91.4	Very high	78.3	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	173.8	177.5	53.4	0	0	0	0	111.2	C29 V66 Q82 C83	C29-S51 PolarHBondContact SG-O 3.19Å; S51-V66 PolarHBondContact N-O 2.86Å; S51-V66 WeakPolarHBondContact O-CA 3.32Å; S51-V66 WeakPolarHBondContact O-CB 3.15Å; S51-V66 PolarHBondContact O-N 3.01Å; S51-V66 WeakPolarHBondContact OG-CB 3.44Å; S51-Q82 PolarHBondContact OG-NE2 2.71Å; S51-C83 VanDerWaalsContact CB-O 3.31Å; S51-C83 WeakPolarHBondContact CB-O 3.47Å
52	C	91.6	Very high	79.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.6	176.1	-48	0	0	0	0	110.3	V27 R28 C29 Q82 C83 N89	V27-C52 VanDerWaalsContact CG1-SG 3.6Å; R28-C52 PolarHBondContact O-SG 2.86Å; C29-C52 WeakPolarHBondContact CA-SG 3.02Å; C29-C52 HydrophobicContact CB-CB 3.69Å; C29-C52 WeakPolarHBondContact CB-SG 3.44Å; C29-C52 WeakPolarHBondContact SG-CA 3.4Å; C29-C52 WeakPolarHBondContact SG-CB 3.4Å; C29-C52 CovalentContact SG-SG 2.03Å; C29-C52 PolarHBondContact SG-SG 3.03Å; C52-Q82 WeakPolarHBondContact O-CA 3.39Å; C52-Q82 WeakPolarHBondContact O-CG 3.03Å; C52-C83 PolarHBondContact N-O 2.85Å; C52-C83 PolarHBondContact O-N 2.99Å; C52-N89 HydrophobicContact CB-CB 3.61Å; C52-N89 VanDerWaalsContact CB-CG 3.43Å
53	S	91.2	Very high	79.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.2	173.1	-167.6	0	0	0	0	111.6	R63 I64 F75 T81 N89	S53-R63 WeakPolarHBondContact O-CA 3.4Å; S53-I64 PolarHBondContact N-O 3.46Å; S53-I64 PolarHBondContact O-N 2.84Å; S53-F75 WeakPolarHBondContact OG-CE1 3.5Å; S53-T81 VanDerWaalsContact CA-O 3.3Å; S53-T81 WeakPolarHBondContact CA-O 3.33Å; S53-T81 PolarHBondContact OG-O 3.39Å; S53-N89 PolarHBondContact O-ND2 2.79Å
54	T	89.5	Confident	80.2	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.1	168.9	-47.1	0	0	0	0	108.6	I61 H62 R63 R80 T81 N89 V93	T54-I61 HydrophobicContact CG2-CG2 3.57Å; T54-H62 CarbonylContact C-O 3.56Å; T54-H62 VanDerWaalsContact CA-O 3.29Å; T54-H62 WeakPolarHBondContact CA-O 3.35Å; T54-R63 HydrophobicContact CG2-CG 3.86Å; T54-R80 CarbonylContact O-C 3.58Å; T54-R80 VanDerWaalsContact O-CA 3.28Å; T54-R80 WeakPolarHBondContact O-CA 2.98Å; T54-T81 PolarHBondContact N-O 3.34Å; T54-T81 PolarHBondContact O-N 3.37Å; T54-N89 VanDerWaalsContact OG1-CB 3.31Å; T54-N89 WeakPolarHBondContact OG1-CB 3.24Å; T54-V93 HydrophobicContact CG2-CG2 3.34Å
55	A	85.2	Confident	80.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166.4	171.1	0	0	0	0	0	110.9	I61 H62 F75 P76 R80	A55-I61 CarbonylContact O-C 3.54Å; A55-I61 VanDerWaalsContact O-CA 3.32Å; A55-I61 WeakPolarHBondContact O-CA 3.3Å; A55-H62 PolarHBondContact N-O 2.75Å; A55-H62 PolarHBondContact O-N 2.78Å; A55-F75 HydrophobicContact CB-CD1 4Å; A55-F75 HydrophobicContact CB-CE1 3.32Å; A55-F75 HydrophobicContact CB-CZ 3.65Å; A55-P76 HydrophobicContact CB-CB 3.89Å; A55-P76 WeakPolarHBondContact CB-O 3.4Å; A55-R80 HydrophobicContact CB-CB 4.04Å; A55-R80 HydrophobicContact CB-CG 4.1Å
56	G	77.6	Confident	81.5	Confident	6 Å²	6	30.3 Å²	30.3	6%	0.062	16%	0.157	C	C	.	.			trans	98.5	-173.3	178.4	0	0	0	0	0	113.9	S60 E78	G56-S60 WeakPolarHBondContact CA-O 3.22Å; G56-E78 PolarHBondContact N-O 3.06Å
57	Y	73.4	Confident	82.5	Confident	101 Å²	101	29.5 Å²	29.5	40%	0.396	15%	0.152	S	C	.	.	S	Bend	trans	-142.4	146.6	-174.6	-173.6	-109.8	0	0	0	110.8	Y59 S60	Y57-Y59 PolarHBondContact O-N 2.82Å; Y57-Y59 VanDerWaalsContact O-N 3.11Å; Y57-S60 PolarHBondContact O-N 3.32Å
58	N	69.8	Low	83.3	Confident	25 Å²	25	33.5 Å²	33.5	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	-113.2	-178.2	-66.6	-24.2	0	0	0	112.8	I61 R149	N58-I61 WeakPolarHBondContact O-CD1 3.26Å; N58-I61 VanDerWaalsContact O-CG1 3.3Å; N58-I61 WeakPolarHBondContact O-CG1 3.05Å; N58-R149 PolarHBondContact ND2-O 3.47Å
59	Y	65.4	Low	83.4	Confident	31 Å²	31	36.9 Å²	36.9	12%	0.122	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.3	-175.8	-58.9	-86.1	0	0	0	113	Y34 P36 Y57 I61 V131 F142 G144 L150	Y34-Y59 CarbonylContact C-O 3.45Å; Y34-Y59 WeakPolarHBondContact CA-O 3.02Å; P36-Y59 HydrophobicContact CG-CD1 3.91Å; Y57-Y59 PolarHBondContact O-N 2.82Å; Y57-Y59 VanDerWaalsContact O-N 3.11Å; Y59-I61 PolarHBondContact O-N 2.01Å; Y59-V131 HydrophobicContact CD1-CB 4.15Å; Y59-V131 HydrophobicContact CD1-CG1 3.84Å; Y59-V131 HydrophobicContact CD1-CG2 4.07Å; Y59-V131 HydrophobicContact CE1-CB 4.14Å; Y59-V131 HydrophobicContact CE1-CG1 4.33Å; Y59-V131 HydrophobicContact CE1-CG2 3.73Å; Y59-V131 HydrophobicContact CE2-CG2 4.18Å; Y59-V131 HydrophobicContact CG-CG1 4.1Å; Y59-V131 HydrophobicContact CG-CG2 4.48Å; Y59-F142 HydrophobicContact CD1-CD2 4.41Å; Y59-F142 HydrophobicContact CE1-CB 4.17Å; Y59-G144 WeakPolarHBondContact OH-CA 3.46Å; Y59-L150 HydrophobicContact CD2-CD1 3.71Å; Y59-L150 HydrophobicContact CD2-CD2 3.27Å; Y59-L150 HydrophobicContact CD2-CG 3.47Å; Y59-L150 VanDerWaalsContact CD2-CG 3.47Å; Y59-L150 HydrophobicContact CE2-CD1 3.72Å; Y59-L150 HydrophobicContact CE2-CD2 4.15Å; Y59-L150 HydrophobicContact CE2-CG 3.93Å; Y59-L150 HydrophobicContact CG-CD1 4.46Å; Y59-L150 HydrophobicContact CG-CD2 3.57Å; Y59-L150 HydrophobicContact CG-CG 4.26Å
60	S	70.7	Confident	83.2	Confident	29 Å²	29	38.4 Å²	38.4	20%	0.203	20%	0.201	C	C	.	.			trans	-93.2	28.7	176.4	-47.3	0	0	0	0	111.7	G56 Y57 H62 I156	G56-S60 WeakPolarHBondContact CA-O 3.22Å; Y57-S60 PolarHBondContact O-N 3.32Å; S60-H62 PolarHBondContact O-CD2 3.03Å; S60-H62 PolarHBondContact O-N 2.72Å; S60-I156 WeakPolarHBondContact OG-CD1 3.31Å
61	I	78.5	Confident	83.1	Confident	2 Å²	2	37 Å²	37	1%	0.01	19%	0.191	C	C	.	.			trans	-75.6	124.2	177.8	-70.3	166.6	0	0	0	108.7	Y34 C35 P36 T54 A55 N58 Y59 R63 V93	Y34-I61 CarbonylContact C-O 3.42Å; Y34-I61 VanDerWaalsContact CA-O 3.24Å; Y34-I61 WeakPolarHBondContact CA-O 3.29Å; Y34-I61 PolarHBondContact N-O 3.06Å; C35-I61 PolarHBondContact N-O 2.75Å; P36-I61 HydrophobicContact CB-CD1 4.28Å; T54-I61 HydrophobicContact CG2-CG2 3.57Å; A55-I61 CarbonylContact O-C 3.54Å; A55-I61 VanDerWaalsContact O-CA 3.32Å; A55-I61 WeakPolarHBondContact O-CA 3.3Å; N58-I61 WeakPolarHBondContact O-CD1 3.26Å; N58-I61 VanDerWaalsContact O-CG1 3.3Å; N58-I61 WeakPolarHBondContact O-CG1 3.05Å; Y59-I61 PolarHBondContact O-N 2.01Å; I61-R63 HydrophobicContact CG2-CG 4.06Å; I61-V93 HydrophobicContact CD1-CB 3.62Å; I61-V93 HydrophobicContact CD1-CG2 3.76Å; I61-V93 HydrophobicContact CG1-CB 4.33Å; I61-V93 HydrophobicContact CG1-CG2 4.18Å; I61-V93 HydrophobicContact CG2-CG2 4.02Å
62	H	85.2	Confident	82.6	Confident	21 Å²	21	39.4 Å²	39.4	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.3	171.8	-60.4	-100.3	0	0	0	109.4	D33 Y34 T54 A55 S60 F75	D33-H62 IonicContact OD1-CE1 2.9Å; D33-H62 IonicContact OD1-ND1 3.86Å; D33-H62 PolarHBondContact OD1-ND1 2.75Å; Y34-H62 AromaticContact CD1-NE2 3.92Å; Y34-H62 AromaticContact CD2-CE1 3.69Å; Y34-H62 AromaticContact CE1-CE1 3.85Å; Y34-H62 AromaticContact CE1-NE2 3.68Å; Y34-H62 AromaticContact CE2-CE1 3.4Å; Y34-H62 WeakPolarHBondContact CE2-CE1 3.39Å; Y34-H62 AromaticContact CZ-CE1 3.52Å; Y34-H62 AromaticContact CZ-NE2 3.78Å; T54-H62 CarbonylContact C-O 3.56Å; T54-H62 VanDerWaalsContact CA-O 3.29Å; T54-H62 WeakPolarHBondContact CA-O 3.35Å; A55-H62 PolarHBondContact N-O 2.75Å; A55-H62 PolarHBondContact O-N 2.78Å; S60-H62 PolarHBondContact O-CD2 3.03Å; S60-H62 PolarHBondContact O-N 2.72Å; H62-F75 HydrophobicContact CB-CD2 4.44Å; H62-F75 HydrophobicContact CB-CE2 3.56Å; H62-F75 HydrophobicContact CB-CZ 4.12Å
63	R	88.5	Confident	81.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.6	-179	-63.3	175	-169	-90.4	11.5	108.3	Y30 V31 C32 C35 P36 V38 S53 T54 I61 N89 L91	Y30-R63 CarbonylContact O-C 3.56Å; Y30-R63 VanDerWaalsContact O-CB 3.32Å; Y30-R63 WeakPolarHBondContact O-CB 3.12Å; V31-R63 CarbonylContact C-O 3.54Å; V31-R63 VanDerWaalsContact CA-O 3.29Å; V31-R63 WeakPolarHBondContact CA-O 3.36Å; C32-R63 PolarHBondContact N-O 2.88Å; C32-R63 PolarHBondContact O-N 3.25Å; C35-R63 PolarHBondContact O-NE 2.74Å; P36-R63 PolarHBondContact O-NH2 2.91Å; V38-R63 VanDerWaalsContact CG1-NE 3.31Å; S53-R63 WeakPolarHBondContact O-CA 3.4Å; T54-R63 HydrophobicContact CG2-CG 3.86Å; I61-R63 HydrophobicContact CG2-CG 4.06Å; R63-N89 WeakPolarHBondContact CD-O 3.41Å; R63-N89 VanDerWaalsContact NH1-C 3.31Å; R63-N89 PolarHBondContact NH1-O 3.32Å; R63-L91 PolarHBondContact NH1-O 3.37Å; R63-L91 PolarHBondContact NH2-O 3.4Å
64	I	89.3	Confident	81.3	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.3	-178.1	60.6	166.4	0	0	0	112.3	S53 V66 I71 P72 F75	S53-I64 PolarHBondContact N-O 3.46Å; S53-I64 PolarHBondContact O-N 2.84Å; I64-V66 HydrophobicContact CD1-CG2 4.11Å; I64-V66 HydrophobicContact CG1-CG2 4.18Å; I64-I71 HydrophobicContact CD1-CG2 4.24Å; I64-P72 HydrophobicContact CD1-CG 4.32Å; I64-F75 HydrophobicContact CB-CE2 4.21Å; I64-F75 HydrophobicContact CD1-CB 4.39Å; I64-F75 HydrophobicContact CD1-CD1 4.06Å; I64-F75 HydrophobicContact CD1-CD2 3.73Å; I64-F75 HydrophobicContact CD1-CE1 4.22Å; I64-F75 HydrophobicContact CD1-CE2 3.94Å; I64-F75 HydrophobicContact CD1-CG 3.8Å; I64-F75 HydrophobicContact CD1-CZ 4.17Å; I64-F75 HydrophobicContact CG1-CD2 4.08Å; I64-F75 HydrophobicContact CG1-CE1 4.23Å; I64-F75 HydrophobicContact CG1-CE2 3.75Å; I64-F75 HydrophobicContact CG1-CG 4.48Å; I64-F75 HydrophobicContact CG1-CZ 3.82Å; I64-F75 HydrophobicContact CG2-CD2 3.84Å; I64-F75 HydrophobicContact CG2-CE2 3.54Å; I64-F75 HydrophobicContact CG2-CZ 4.38Å
65	C	90.4	Very high	80.8	Confident	15 Å²	15	55 Å²	55	10%	0.101	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.8	159.1	171.2	0	0	0	0	108.1	C29 V31 C49 F67	C29-C65 HydrophobicContact CB-CB 4.23Å; V31-C65 HydrophobicContact CG2-CB 3.79Å; C49-C65 VanDerWaalsContact CA-SG 3.5Å; C49-C65 HydrophobicContact CB-CB 4.08Å; C49-C65 WeakPolarHBondContact CB-SG 3.25Å; C49-C65 WeakPolarHBondContact SG-CB 3.44Å; C49-C65 CovalentContact SG-SG 2.01Å; C49-C65 PolarHBondContact SG-SG 2.92Å; C65-F67 HydrophobicContact CB-CZ 4.47Å; C65-F67 VanDerWaalsContact SG-CZ 3.55Å
66	V	89.8	Confident	80.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.3	176.6	-177.4	0	0	0	0	108.1	C49 T50 S51 I64 I71	C49-V66 CarbonylContact C-O 3.46Å; C49-V66 WeakPolarHBondContact CA-O 3.36Å; T50-V66 PolarHBondContact N-O 3.42Å; T50-V66 PolarHBondContact OG1-O 3.02Å; S51-V66 PolarHBondContact N-O 2.86Å; S51-V66 WeakPolarHBondContact O-CA 3.32Å; S51-V66 WeakPolarHBondContact O-CB 3.15Å; S51-V66 PolarHBondContact O-N 3.01Å; S51-V66 WeakPolarHBondContact OG-CB 3.44Å; I64-V66 HydrophobicContact CD1-CG2 4.11Å; I64-V66 HydrophobicContact CG1-CG2 4.18Å; V66-I71 HydrophobicContact CG1-CG1 4.04Å; V66-I71 HydrophobicContact CG2-CG1 3.83Å
67	F	86.1	Confident	80.7	Confident	95 Å²	95	61.4 Å²	61.4	42%	0.417	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-98	175.6	177.1	-57.3	-84.5	0	0	0	110.5	N48 T50 C65 N69 G70	N48-F67 HydrophobicContact CB-CD1 4.36Å; N48-F67 HydrophobicContact CB-CE1 4.05Å; T50-F67 PolarHBondContact OG1-O 2.75Å; C65-F67 HydrophobicContact CB-CZ 4.47Å; C65-F67 VanDerWaalsContact SG-CZ 3.55Å; F67-N69 PolarHBondContact O-N 2.97Å; F67-G70 PolarHBondContact O-N 2.02Å
68	E	81.3	Confident	81	Confident	176 Å²	176	62.9 Å²	62.9	82%	0.822	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.4	179.5	-80.4	-170.7	150.9	0	0	114.2	T50 G70	T50-E68 HydrophobicContact CG2-CG 3.85Å; T50-E68 PolarHBondContact OG1-N 2.73Å; E68-G70 PolarHBondContact O-N 3.31Å; E68-G70 VanDerWaalsContact O-N 3.08Å
69	N	79.9	Confident	81.4	Confident	166 Å²	166	66.3 Å²	66.3	89%	0.888	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.1	178.3	-62.5	-19.2	0	0	0	113.8	F67	F67-N69 PolarHBondContact O-N 2.97Å
70	G	84.7	Confident	82.5	Confident	33 Å²	33	70.1 Å²	70.1	34%	0.34	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	85.6	-169.5	177.5	0	0	0	0	0	113.9	F67 E68	F67-G70 PolarHBondContact O-N 2.02Å; E68-G70 PolarHBondContact O-N 3.31Å; E68-G70 VanDerWaalsContact O-N 3.08Å
71	I	85.9	Confident	83.4	Confident	33 Å²	33	72.6 Å²	72.6	17%	0.169	38%	0.379	C	S	.	.	S	Bend	trans	-72.9	129.8	-179.5	-64.6	176.4	0	0	0	108.9	I64 V66 F75 R80	I64-I71 HydrophobicContact CD1-CG2 4.24Å; V66-I71 HydrophobicContact CG1-CG1 4.04Å; V66-I71 HydrophobicContact CG2-CG1 3.83Å; I71-F75 HydrophobicContact CG2-CB 3.64Å; I71-F75 HydrophobicContact CG2-CD1 3.6Å; I71-F75 HydrophobicContact CG2-CG 3.94Å; I71-R80 HydrophobicContact CD1-CG 4.49Å
72	P	81.1	Confident	84	Confident	60 Å²	60	77.9 Å²	77.9	39%	0.39	40%	0.403	S	S	.	.			trans	-54.5	139.8	176.3	-25.6	34.5	0	0	0	112.4	I64 N74 F75	I64-P72 HydrophobicContact CD1-CG 4.32Å; P72-N74 WeakPolarHBondContact CB-OD1 2.98Å; P72-N74 PolarHBondContact O-N 3.39Å; P72-N74 VanDerWaalsContact O-N 3.1Å; P72-F75 VanDerWaalsContact O-CB 3.25Å; P72-F75 WeakPolarHBondContact O-CB 3.41Å; P72-F75 PolarHBondContact O-N 3.38Å
73	I	77.7	Confident	84.2	Confident	176 Å²	176	78.3 Å²	78.3	90%	0.903	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24	-177	56.2	166.1	0	0	0	114.1
74	N	76.5	Confident	84.3	Confident	140 Å²	140	84.3 Å²	84.3	75%	0.749	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.4	179.3	62.7	-36.1	0	0	0	113	P72	P72-N74 WeakPolarHBondContact CB-OD1 2.98Å; P72-N74 PolarHBondContact O-N 3.39Å; P72-N74 VanDerWaalsContact O-N 3.1Å
75	F	80.3	Confident	84.2	Confident	15 Å²	15	87.4 Å²	87.4	7%	0.066	46%	0.461	C	S	.	.	S	Bend	trans	-73.4	137.9	174.8	-169.5	-112	0	0	0	110.2	S53 A55 H62 I64 I71 P72 R80	S53-F75 WeakPolarHBondContact OG-CE1 3.5Å; A55-F75 HydrophobicContact CB-CD1 4Å; A55-F75 HydrophobicContact CB-CE1 3.32Å; A55-F75 HydrophobicContact CB-CZ 3.65Å; H62-F75 HydrophobicContact CB-CD2 4.44Å; H62-F75 HydrophobicContact CB-CE2 3.56Å; H62-F75 HydrophobicContact CB-CZ 4.12Å; I64-F75 HydrophobicContact CB-CE2 4.21Å; I64-F75 HydrophobicContact CD1-CB 4.39Å; I64-F75 HydrophobicContact CD1-CD1 4.06Å; I64-F75 HydrophobicContact CD1-CD2 3.73Å; I64-F75 HydrophobicContact CD1-CE1 4.22Å; I64-F75 HydrophobicContact CD1-CE2 3.94Å; I64-F75 HydrophobicContact CD1-CG 3.8Å; I64-F75 HydrophobicContact CD1-CZ 4.17Å; I64-F75 HydrophobicContact CG1-CD2 4.08Å; I64-F75 HydrophobicContact CG1-CE1 4.23Å; I64-F75 HydrophobicContact CG1-CE2 3.75Å; I64-F75 HydrophobicContact CG1-CG 4.48Å; I64-F75 HydrophobicContact CG1-CZ 3.82Å; I64-F75 HydrophobicContact CG2-CD2 3.84Å; I64-F75 HydrophobicContact CG2-CE2 3.54Å; I64-F75 HydrophobicContact CG2-CZ 4.38Å; I71-F75 HydrophobicContact CG2-CB 3.64Å; I71-F75 HydrophobicContact CG2-CD1 3.6Å; I71-F75 HydrophobicContact CG2-CG 3.94Å; P72-F75 VanDerWaalsContact O-CB 3.25Å; P72-F75 WeakPolarHBondContact O-CB 3.41Å; P72-F75 PolarHBondContact O-N 3.38Å; F75-R80 HydrophobicContact CD1-CG 4.44Å; F75-R80 HydrophobicContact CE1-CG 4.17Å
76	P	77.9	Confident	84.1	Confident	33 Å²	33	90.2 Å²	90.2	21%	0.214	48%	0.475	C	S	.	.			trans	-56.8	145.3	-176.8	-24.5	33.7	0	0	0	112.7	A55	A55-P76 HydrophobicContact CB-CB 3.89Å; A55-P76 WeakPolarHBondContact CB-O 3.4Å
77	N	82.6	Confident	83.9	Confident	110 Å²	110	92.1 Å²	92.1	59%	0.588	49%	0.485	S	S	*	.			trans	-96.6	-22.2	178.9	-70.5	-39.6	0	0	0	112.4	N79 R80	N77-N79 PolarHBondContact O-N 2.99Å; N77-R80 WeakPolarHBondContact O-CB 3.4Å; N77-R80 PolarHBondContact O-N 3.48Å; N77-R80 PolarHBondContact OD1-NH1 3.11Å
78	E	78.6	Confident	84.1	Confident	131 Å²	131	88.7 Å²	88.7	61%	0.612	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	130.9	179.7	-68.8	88.9	-177.5	0	0	111.9	G56 R80	G56-E78 PolarHBondContact N-O 3.06Å; E78-R80 PolarHBondContact O-N 3.3Å
79	N	80.1	Confident	84.4	Confident	97 Å²	97	80.4 Å²	80.4	52%	0.519	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	31.1	179.6	-63	-30.1	0	0	0	114	N77 T81	N77-N79 PolarHBondContact O-N 2.99Å; N79-T81 PolarHBondContact O-N 3.46Å
80	R	87.2	Confident	84.3	Confident	111 Å²	111	73.4 Å²	73.4	42%	0.419	40%	0.401	S	S	.	.			trans	-67.4	126.2	-177.3	-171.1	173.1	76.8	-169.2	0.9	110.5	T54 A55 I71 F75 N77 E78	T54-R80 CarbonylContact O-C 3.58Å; T54-R80 VanDerWaalsContact O-CA 3.28Å; T54-R80 WeakPolarHBondContact O-CA 2.98Å; A55-R80 HydrophobicContact CB-CB 4.04Å; A55-R80 HydrophobicContact CB-CG 4.1Å; I71-R80 HydrophobicContact CD1-CG 4.49Å; F75-R80 HydrophobicContact CD1-CG 4.44Å; F75-R80 HydrophobicContact CE1-CG 4.17Å; N77-R80 WeakPolarHBondContact O-CB 3.4Å; N77-R80 PolarHBondContact O-N 3.48Å; N77-R80 PolarHBondContact OD1-NH1 3.11Å; E78-R80 PolarHBondContact O-N 3.3Å
81	T	89.6	Confident	83.6	Confident	82 Å²	82	78.4 Å²	78.4	50%	0.503	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.4	174.7	52.4	0	0	0	0	109.5	S53 T54 N79	S53-T81 VanDerWaalsContact CA-O 3.3Å; S53-T81 WeakPolarHBondContact CA-O 3.33Å; S53-T81 PolarHBondContact OG-O 3.39Å; T54-T81 PolarHBondContact N-O 3.34Å; T54-T81 PolarHBondContact O-N 3.37Å; N79-T81 PolarHBondContact O-N 3.46Å
82	Q	90.6	Very high	82.1	Confident	112 Å²	112	80.6 Å²	80.6	52%	0.523	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.8	178.3	-169.8	175.9	-6	0	0	108.7	S51 C52	S51-Q82 PolarHBondContact OG-NE2 2.71Å; C52-Q82 WeakPolarHBondContact O-CA 3.39Å; C52-Q82 WeakPolarHBondContact O-CG 3.03Å
83	C	90.8	Very high	80.7	Confident	30 Å²	30	79.4 Å²	79.4	20%	0.203	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.3	-179	57.3	0	0	0	0	109.5	S51 C52 C88 N89	S51-C83 VanDerWaalsContact CB-O 3.31Å; S51-C83 WeakPolarHBondContact CB-O 3.47Å; C52-C83 PolarHBondContact N-O 2.85Å; C52-C83 PolarHBondContact O-N 2.99Å; C83-C88 HydrophobicContact CB-CB 3.66Å; C83-C88 WeakPolarHBondContact CB-SG 2.96Å; C83-C88 PolarHBondContact O-SG 3.44Å; C83-C88 WeakPolarHBondContact SG-CB 3.41Å; C83-C88 CovalentContact SG-SG 2.01Å; C83-C88 PolarHBondContact SG-SG 2.85Å; C83-N89 PolarHBondContact SG-N 3.24Å; C83-N89 VanDerWaalsContact SG-N 3.39Å
84	N	89.5	Confident	78.8	Confident	128 Å²	128	76.8 Å²	76.8	68%	0.684	41%	0.414	S	S	*	.			trans	-130.5	24	-161	41.4	-14.7	0	0	0	112.3
85	T	87.8	Confident	77	Confident	90 Å²	90	74.5 Å²	74.5	55%	0.552	40%	0.401	S	S	*	.	S	Bend	trans	-121.2	155.8	172.6	55.1	0	0	0	0	110.5	V27 L87 C88	V27-T85 WeakPolarHBondContact CG1-O 3.34Å; T85-L87 PolarHBondContact O-N 2.89Å; T85-C88 WeakPolarHBondContact O-CB 3.33Å; T85-C88 PolarHBondContact O-N 3.31Å; T85-C88 PolarHBondContact O-SG 2.88Å; T85-C88 VanDerWaalsContact OG1-CB 3.3Å; T85-C88 WeakPolarHBondContact OG1-CB 3.19Å
86	D	88.1	Confident	74.8	Confident	75 Å²	75	77.3 Å²	77.3	40%	0.401	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	126.6	-177.9	-101.3	21.4	0	0	0	111.7	V27 R28 C88	V27-D86 WeakPolarHBondContact CA-OD1 3.27Å; R28-D86 IonicContact CZ-OD2 3.32Å; R28-D86 PolarHBondContact N-OD1 2.01Å; R28-D86 IonicContact NE-OD2 3.25Å; R28-D86 PolarHBondContact NE-OD2 3.09Å; R28-D86 IonicContact NH2-OD2 2.84Å; R28-D86 PolarHBondContact NH2-OD2 3.31Å; D86-C88 PolarHBondContact O-N 2.97Å
87	L	86.2	Confident	72.7	Confident	42 Å²	42	76.6 Å²	76.6	22%	0.22	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	20	173.3	-53.2	178.1	0	0	0	113.7	R28 Y30 I43 T85 N89 G90	R28-L87 HydrophobicContact CB-CD2 3.99Å; R28-L87 HydrophobicContact CB-CG 4.47Å; R28-L87 PolarHBondContact O-N 3.35Å; Y30-L87 HydrophobicContact CD2-CB 4.25Å; Y30-L87 HydrophobicContact CD2-CD2 4.29Å; Y30-L87 HydrophobicContact CE1-CD2 4.37Å; Y30-L87 HydrophobicContact CE2-CB 3.65Å; Y30-L87 HydrophobicContact CE2-CD2 4.06Å; Y30-L87 HydrophobicContact CE2-CG 4.31Å; I43-L87 HydrophobicContact CB-CD2 4.46Å; I43-L87 HydrophobicContact CD1-CD1 4.09Å; I43-L87 HydrophobicContact CD1-CD2 4.1Å; I43-L87 HydrophobicContact CG1-CD2 3.84Å; I43-L87 HydrophobicContact CG2-CD2 3.97Å; T85-L87 PolarHBondContact O-N 2.89Å; L87-N89 PolarHBondContact O-N 3.01Å; L87-G90 PolarHBondContact O-N 3.02Å
88	C	89.1	Confident	70.2	Confident	22 Å²	22	78.8 Å²	78.8	15%	0.149	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.2	-177.1	64.3	0	0	0	0	112.8	C83 T85 D86 G90	C83-C88 HydrophobicContact CB-CB 3.66Å; C83-C88 WeakPolarHBondContact CB-SG 2.96Å; C83-C88 PolarHBondContact O-SG 3.44Å; C83-C88 WeakPolarHBondContact SG-CB 3.41Å; C83-C88 CovalentContact SG-SG 2.01Å; C83-C88 PolarHBondContact SG-SG 2.85Å; T85-C88 WeakPolarHBondContact O-CB 3.33Å; T85-C88 PolarHBondContact O-N 3.31Å; T85-C88 PolarHBondContact O-SG 2.88Å; T85-C88 VanDerWaalsContact OG1-CB 3.3Å; T85-C88 WeakPolarHBondContact OG1-CB 3.19Å; D86-C88 PolarHBondContact O-N 2.97Å; C88-G90 PolarHBondContact O-N 3.1Å; C88-G90 VanDerWaalsContact O-N 3.07Å
89	N	89.3	Confident	68.2	Low	2 Å²	2	79.7 Å²	79.7	1%	0.011	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-80.2	28.9	172.2	77.9	-26.8	0	0	0	111.6	Y30 C52 S53 T54 R63 C83 L87	Y30-N89 PolarHBondContact N-OD1 3.04Å; Y30-N89 PolarHBondContact O-ND2 3.28Å; C52-N89 HydrophobicContact CB-CB 3.61Å; C52-N89 VanDerWaalsContact CB-CG 3.43Å; S53-N89 PolarHBondContact O-ND2 2.79Å; T54-N89 VanDerWaalsContact OG1-CB 3.31Å; T54-N89 WeakPolarHBondContact OG1-CB 3.24Å; R63-N89 WeakPolarHBondContact CD-O 3.41Å; R63-N89 VanDerWaalsContact NH1-C 3.31Å; R63-N89 PolarHBondContact NH1-O 3.32Å; C83-N89 PolarHBondContact SG-N 3.24Å; C83-N89 VanDerWaalsContact SG-N 3.39Å; L87-N89 PolarHBondContact O-N 3.01Å
90	G	77.8	Confident	66.1	Low	20 Å²	20	77 Å²	77	21%	0.206	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-101.7	-12.6	174.4	0	0	0	0	0	114.1	L87 C88 T92	L87-G90 PolarHBondContact O-N 3.02Å; C88-G90 PolarHBondContact O-N 3.1Å; C88-G90 VanDerWaalsContact O-N 3.07Å; G90-T92 PolarHBondContact O-N 3.04Å
91	L	68.2	Low	63.9	Low	137 Å²	137	77.2 Å²	77.2	72%	0.717	44%	0.437	S	S	*	.	S	Bend	trans	-57.6	132.3	174.6	-66	171.6	0	0	0	108.7	R63 V93	R63-L91 PolarHBondContact NH1-O 3.37Å; R63-L91 PolarHBondContact NH2-O 3.4Å; L91-V93 PolarHBondContact O-N 2.95Å
92	T	56.2	Low	61.7	Low	79 Å²	79	78.1 Å²	78.1	49%	0.485	44%	0.441	S	S	.	.			trans	-55.8	109.6	166.7	-20.7	0	0	0	0	105.6	G90 D94	G90-T92 PolarHBondContact O-N 3.04Å; T92-D94 PolarHBondContact O-N 2.81Å; T92-D94 VanDerWaalsContact O-N 3.12Å
93	V	50.3	Low	59.7	Low	35 Å²	35	78.4 Å²	78.4	21%	0.212	45%	0.453	C	S	.	.			trans	-57.1	125.2	178	-174.3	0	0	0	0	105.6	T54 I61 L91 N95	T54-V93 HydrophobicContact CG2-CG2 3.34Å; I61-V93 HydrophobicContact CD1-CB 3.62Å; I61-V93 HydrophobicContact CD1-CG2 3.76Å; I61-V93 HydrophobicContact CG1-CB 4.33Å; I61-V93 HydrophobicContact CG1-CG2 4.18Å; I61-V93 HydrophobicContact CG2-CG2 4.02Å; L91-V93 PolarHBondContact O-N 2.95Å; V93-N95 PolarHBondContact O-N 3.11Å
94	D	38.5	Very low	58	Low	122 Å²	122	79.5 Å²	79.5	65%	0.652	46%	0.457	S	S	*	.			trans	-28.1	105.2	-168.5	-169.6	-0.6	0	0	0	112.8	T92 T96	T92-D94 PolarHBondContact O-N 2.81Å; T92-D94 VanDerWaalsContact O-N 3.12Å; D94-T96 PolarHBondContact O-N 3.46Å
95	N	38.9	Very low	56.3	Low	91 Å²	91	77.8 Å²	77.8	49%	0.487	46%	0.46	S	S	.	.			trans	-67.9	64.8	171.1	-85.9	-30.4	0	0	0	109.1	V93 G97 K98	V93-N95 PolarHBondContact O-N 3.11Å; N95-G97 CarbonylContact O-C 3.56Å; N95-G97 WeakPolarHBondContact O-CA 3.46Å; N95-G97 PolarHBondContact O-N 2.82Å; N95-G97 VanDerWaalsContact O-N 3.09Å; N95-G97 VanDerWaalsContact O-O 3.11Å; N95-K98 PolarHBondContact O-N 3.38Å
96	T	33.9	Very low	55.1	Low	74 Å²	74	79 Å²	79	45%	0.454	46%	0.463	S	S	.	.			trans	-66.7	1.7	155.7	49.7	0	0	0	0	111.8	D94 K98	D94-T96 PolarHBondContact O-N 3.46Å; T96-K98 PolarHBondContact O-N 2.87Å
97	G	33.2	Very low	54.4	Low	18 Å²	18	79.3 Å²	79.3	19%	0.186	47%	0.469	C	S	.	.	S	Bend		-54.2	60.1	128.7	0	0	0	0	0	113.3	N95 I99	N95-G97 CarbonylContact O-C 3.56Å; N95-G97 WeakPolarHBondContact O-CA 3.46Å; N95-G97 PolarHBondContact O-N 2.82Å; N95-G97 VanDerWaalsContact O-N 3.09Å; N95-G97 VanDerWaalsContact O-O 3.11Å; G97-I99 PolarHBondContact O-N 2.97Å
98	K	30.9	Very low	54.1	Low	156 Å²	156	79.6 Å²	79.6	68%	0.678	47%	0.469	S	S	*	.			trans	-43	132.5	160.3	-76.3	-179.7	175.4	178.1	0	106.2	N95 T96 P100	N95-K98 PolarHBondContact O-N 3.38Å; T96-K98 PolarHBondContact O-N 2.87Å; K98-P100 WeakPolarHBondContact O-CD 3.42Å
99	I	36.4	Very low	54	Low	151 Å²	151	84 Å²	84	77%	0.774	48%	0.482	S	S	*	.			trans	-42.7	121.2	154.4	-60.9	170.6	0	0	0	103.6	G97 S101	G97-I99 PolarHBondContact O-N 2.97Å; I99-S101 PolarHBondContact O-N 3.09Å
100	P	35.6	Very low	53.8	Low	40 Å²	40	84 Å²	84	26%	0.26	48%	0.482	S	S	.	.			trans	-49.5	116.5	178.8	-23.5	32.1	0	0	0	105.2	K98 V102 I104 T145	K98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-V102 PolarHBondContact O-N 2.83Å; P100-V102 VanDerWaalsContact O-O 3.07Å; P100-I104 HydrophobicContact CG-CD1 4.41Å; P100-I104 HydrophobicContact CG-CG1 4.2Å; P100-T145 HydrophobicContact CG-CG2 4.02Å
101	S	41.4	Very low	54.3	Low	116 Å²	116	86.3 Å²	86.3	81%	0.811	49%	0.485	S	S	*	.	S	Bend	trans	-67.6	11.2	174.4	41.9	0	0	0	0	111.1	I99	I99-S101 PolarHBondContact O-N 3.09Å
102	V	43.7	Very low	54.9	Low	100 Å²	100	80.7 Å²	80.7	61%	0.606	46%	0.457	S	S	*	.	S	Bend	trans	-115.4	127.9	177.4	-164.8	0	0	0	0	105.3	P100 I104	P100-V102 PolarHBondContact O-N 2.83Å; P100-V102 VanDerWaalsContact O-O 3.07Å; V102-I104 PolarHBondContact O-N 2.81Å; V102-I104 VanDerWaalsContact O-N 3.11Å
103	P	48	Very low	56	Low	119 Å²	119	77.5 Å²	77.5	77%	0.773	44%	0.437	S	S	*	.			trans	-52	124.4	175	15.8	-25.1	0	0	0	109.4	A105	P103-A105 PolarHBondContact O-N 2.87Å
104	I	54.9	Low	57	Low	53 Å²	53	77.7 Å²	77.7	27%	0.272	44%	0.437	S	S	.	.			trans	-61.6	110.6	174	-60.3	174.9	0	0	0	105.6	P100 V102 N106 P107	P100-I104 HydrophobicContact CG-CD1 4.41Å; P100-I104 HydrophobicContact CG-CG1 4.2Å; V102-I104 PolarHBondContact O-N 2.81Å; V102-I104 VanDerWaalsContact O-N 3.11Å; I104-N106 PolarHBondContact O-N 2.7Å; I104-P107 WeakPolarHBondContact O-CD 3Å
105	A	55	Low	58.8	Low	91 Å²	91	75 Å²	75	75%	0.752	42%	0.423	S	S	*	.	S	Bend	trans	-58.7	-22.8	-168.8	0	0	0	0	0	113.4	P103	P103-A105 PolarHBondContact O-N 2.87Å
106	N	61.4	Low	60.7	Low	115 Å²	115	71.4 Å²	71.4	62%	0.615	40%	0.404	S	S	*	.	S	Bend	trans	-143.8	92.1	174	-75.5	-46.3	0	0	0	110	I104 F108	I104-N106 PolarHBondContact O-N 2.7Å; N106-F108 HydrophobicContact CB-CE1 4.08Å; N106-F108 HydrophobicContact CB-CZ 4.02Å; N106-F108 WeakPolarHBondContact O-CE2 3.32Å; N106-F108 WeakPolarHBondContact O-CZ 3.47Å; N106-F108 PolarHBondContact O-N 2.62Å
107	P	74.3	Confident	63	Low	82 Å²	82	71 Å²	71	53%	0.532	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-72.5	121.8	176.7	26	-28.2	0	0	0	110.5	I104 C127	I104-P107 WeakPolarHBondContact O-CD 3Å; P107-C127 CarbonylContact C-O 3.47Å; P107-C127 WeakPolarHBondContact CA-O 3.28Å
108	F	79.7	Confident	65.1	Low	48 Å²	48	80 Å²	80	21%	0.211	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	162.1	174.2	-47.2	-64.8	0	0	0	110.8	N106 G126 C127 G128 S160	N106-F108 HydrophobicContact CB-CE1 4.08Å; N106-F108 HydrophobicContact CB-CZ 4.02Å; N106-F108 WeakPolarHBondContact O-CE2 3.32Å; N106-F108 WeakPolarHBondContact O-CZ 3.47Å; N106-F108 PolarHBondContact O-N 2.62Å; F108-G126 PolarHBondContact O-N 3.02Å; F108-C127 WeakPolarHBondContact CD2-O 3.25Å; F108-C127 PolarHBondContact N-O 3.3Å; F108-C127 WeakPolarHBondContact O-CB 3.29Å; F108-C127 PolarHBondContact O-N 2.01Å; F108-G128 WeakPolarHBondContact CE2-O 3.3Å; F108-S160 WeakPolarHBondContact CE2-O 3.48Å; F108-S160 VanDerWaalsContact CZ-O 3.23Å; F108-S160 WeakPolarHBondContact CZ-O 3.34Å
109	R	87	Confident	67.5	Low	116 Å²	116	78.1 Å²	78.1	44%	0.438	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.5	164.3	-53.4	174	-68	175.1	-1.8	109.3	V123 L124 C130 D162 L163	R109-V123 HydrophobicContact CB-CG1 3.72Å; R109-V123 HydrophobicContact CG-CG1 4.36Å; R109-L124 CarbonylContact C-O 3.55Å; R109-L124 WeakPolarHBondContact CA-O 3.01Å; R109-C130 PolarHBondContact O-SG 3.39Å; R109-D162 WeakPolarHBondContact CA-OD1 3.4Å; R109-D162 WeakPolarHBondContact CB-OD1 3.26Å; R109-D162 WeakPolarHBondContact CG-OD1 3.41Å; R109-D162 IonicContact CZ-OD2 3.06Å; R109-D162 VanDerWaalsContact CZ-OD2 3.29Å; R109-D162 PolarHBondContact N-OD1 2.84Å; R109-D162 IonicContact NE-OD1 2.97Å; R109-D162 PolarHBondContact NE-OD1 2.89Å; R109-D162 IonicContact NE-OD2 3.29Å; R109-D162 PolarHBondContact NE-OD2 3.33Å; R109-D162 IonicContact NH2-OD2 2.68Å; R109-D162 PolarHBondContact NH2-OD2 2.91Å; R109-L163 HydrophobicContact CB-CD2 3.86Å; R109-L163 HydrophobicContact CB-CG 4.22Å; R109-L163 WeakPolarHBondContact O-CA 3.41Å; R109-L163 PolarHBondContact O-N 3.38Å
110	C	85	Confident	69.7	Low	0 Å²	0	73.8 Å²	73.8	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.5	177.1	-60.8	0	0	0	0	110.3	V123 L124 C127 A129 C130	C110-V123 WeakPolarHBondContact O-CA 3.32Å; C110-L124 PolarHBondContact N-O 3.35Å; C110-L124 PolarHBondContact O-N 2.97Å; C110-C127 HydrophobicContact CB-CB 4.31Å; C110-C127 WeakPolarHBondContact SG-CB 3.11Å; C110-C127 VanDerWaalsContact SG-SG 3.61Å; C110-A129 PolarHBondContact SG-O 2.91Å; C110-A129 VanDerWaalsContact SG-O 3.4Å; C110-C130 WeakPolarHBondContact CA-SG 2.96Å; C110-C130 HydrophobicContact CB-CB 3.7Å; C110-C130 WeakPolarHBondContact CB-SG 3.01Å; C110-C130 WeakPolarHBondContact SG-CA 3.4Å; C110-C130 WeakPolarHBondContact SG-CB 3.39Å; C110-C130 CovalentContact SG-SG 2.02Å; C110-C130 PolarHBondContact SG-SG 3.01Å
111	Y	87.1	Confident	72.1	Confident	70 Å²	70	74.1 Å²	74.1	28%	0.275	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.8	160.8	-67.4	-80.5	0	0	0	109	Q121 K122 V123 K141 L163 N165 G166	Y111-Q121 HydrophobicContact CD1-CB 4.03Å; Y111-K122 CarbonylContact C-O 3.59Å; Y111-K122 WeakPolarHBondContact CA-O 3.11Å; Y111-V123 HydrophobicContact CD1-CG2 3.91Å; Y111-V123 HydrophobicContact CE1-CG2 3.76Å; Y111-K141 VanDerWaalsContact O-CB 3.3Å; Y111-K141 WeakPolarHBondContact O-CB 3.32Å; Y111-L163 HydrophobicContact CD2-CB 4.32Å; Y111-L163 HydrophobicContact CD2-CD2 4.05Å; Y111-L163 HydrophobicContact CE2-CB 3.79Å; Y111-L163 HydrophobicContact CE2-CD2 3.81Å; Y111-L163 HydrophobicContact CE2-CG 4.28Å; Y111-N165 WeakPolarHBondContact CB-OD1 3.27Å; Y111-N165 PolarHBondContact N-OD1 2.81Å; Y111-N165 PolarHBondContact O-ND2 2.75Å; Y111-G166 VanDerWaalsContact CD2-N 3.34Å
112	T	82.3	Confident	74.2	Confident	19 Å²	19	76 Å²	76	12%	0.117	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135	179.9	59.7	0	0	0	0	109	K122 L124 K141 C143	T112-K122 PolarHBondContact N-O 2.01Å; T112-K122 PolarHBondContact O-N 3.32Å; T112-K122 PolarHBondContact OG1-O 3.17Å; T112-L124 HydrophobicContact CG2-CB 3.95Å; T112-L124 HydrophobicContact CG2-CD1 3.65Å; T112-L124 HydrophobicContact CG2-CG 4.36Å; T112-K141 VanDerWaalsContact CA-O 3.27Å; T112-K141 WeakPolarHBondContact CA-O 3.45Å; T112-C143 HydrophobicContact CG2-CB 3.97Å
113	C	77.6	Confident	76.3	Confident	12 Å²	12	74.8 Å²	74.8	8%	0.081	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-174.2	151.4	179.2	35.7	0	0	0	0	108.7	C116 S140 K141	C113-C116 HydrophobicContact CB-CB 3.93Å; C113-C116 WeakPolarHBondContact CB-SG 3.37Å; C113-C116 PolarHBondContact O-SG 2.96Å; C113-C116 WeakPolarHBondContact SG-CB 3.36Å; C113-C116 CovalentContact SG-SG 2.01Å; C113-C116 PolarHBondContact SG-SG 3.42Å; C113-S140 CarbonylContact O-C 3.46Å; C113-S140 WeakPolarHBondContact O-CA 3.48Å; C113-K141 PolarHBondContact N-O 3.21Å; C113-K141 PolarHBondContact O-N 2.78Å
114	L	73	Confident	77.8	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.39	C	S	.	.	S	Bend	trans	-105.4	135.4	164.5	-75.5	162.9	0	0	0	107	I37 T39 C116 N120 F142	I37-L114 HydrophobicContact CB-CD1 4.26Å; I37-L114 HydrophobicContact CG2-CD1 3.93Å; I37-L114 WeakPolarHBondContact O-CD2 3.44Å; T39-L114 HydrophobicContact CG2-CB 4.35Å; T39-L114 HydrophobicContact CG2-CD1 3.25Å; T39-L114 HydrophobicContact CG2-CG 4.41Å; L114-C116 PolarHBondContact O-N 2.89Å; L114-N120 PolarHBondContact O-ND2 3.03Å; L114-F142 HydrophobicContact CD2-CE1 3.68Å; L114-F142 HydrophobicContact CD2-CZ 3.73Å; L114-F142 HydrophobicContact CG-CE1 4.34Å
115	N	75.5	Confident	79.1	Confident	67 Å²	67	75.1 Å²	75.1	36%	0.358	41%	0.407	S	S	.	.	S	Bend	trans	47	60.6	-171.5	-166.2	5.8	0	0	0	111.9	T117 N120 I138 I139 S140	N115-T117 PolarHBondContact O-N 2.9Å; N115-N120 PolarHBondContact O-ND2 3.28Å; N115-I138 HydrophobicContact CB-CG2 3.7Å; N115-I139 CarbonylContact C-O 3.58Å; N115-I139 WeakPolarHBondContact CA-O 3.08Å; N115-I139 PolarHBondContact N-O 2.83Å; N115-S140 PolarHBondContact N-OG 3.08Å
116	C	78.3	Confident	80	Confident	14 Å²	14	72.9 Å²	72.9	10%	0.095	39%	0.393	C	S	.	.			trans	-57.9	114.9	-173.7	-62.9	0	0	0	0	112	C113 L114 N120 I139 K141	C113-C116 HydrophobicContact CB-CB 3.93Å; C113-C116 WeakPolarHBondContact CB-SG 3.37Å; C113-C116 PolarHBondContact O-SG 2.96Å; C113-C116 WeakPolarHBondContact SG-CB 3.36Å; C113-C116 CovalentContact SG-SG 2.01Å; C113-C116 PolarHBondContact SG-SG 3.42Å; L114-C116 PolarHBondContact O-N 2.89Å; C116-N120 WeakPolarHBondContact CA-OD1 3.29Å; C116-I139 HydrophobicContact CB-CB 4.39Å; C116-I139 HydrophobicContact CB-CG2 4.33Å; C116-I139 VanDerWaalsContact CB-O 3.32Å; C116-I139 WeakPolarHBondContact CB-O 3.24Å; C116-I139 PolarHBondContact N-O 2.92Å; C116-I139 PolarHBondContact SG-O 3.36Å; C116-I139 VanDerWaalsContact SG-O 3.34Å; C116-K141 VanDerWaalsContact SG-CG 3.56Å
117	T	82.8	Confident	80.9	Confident	65 Å²	65	67.4 Å²	67.4	40%	0.399	36%	0.364	S	S	.	.			trans	-102.2	-178.1	161.8	64.5	0	0	0	0	108.9	N115 S119 N120 Q121	N115-T117 PolarHBondContact O-N 2.9Å; T117-S119 PolarHBondContact O-N 3.24Å; T117-S119 PolarHBondContact OG1-N 3.37Å; T117-S119 PolarHBondContact OG1-OG 2.81Å; T117-S119 VanDerWaalsContact OG1-OG 3.06Å; T117-N120 PolarHBondContact N-OD1 3.3Å; T117-N120 PolarHBondContact O-OD1 2.83Å; T117-N120 PolarHBondContact OG1-N 3Å; T117-N120 PolarHBondContact OG1-OD1 3.12Å; T117-Q121 WeakPolarHBondContact O-CG 3.32Å; T117-Q121 PolarHBondContact O-NE2 2.95Å
118	K	77.9	Confident	81	Confident	209 Å²	209	63.8 Å²	63.8	91%	0.909	34%	0.341	S	S	*	.	S	Bend	trans	-68.6	-24.5	172	-73.6	-174.5	178.9	179.7	0	112.8
119	S	80.2	Confident	81.1	Confident	115 Å²	115	61.5 Å²	61.5	80%	0.804	33%	0.331	S	S	*	.	S	Bend	trans	-94	-17.3	-170.5	53.1	0	0	0	0	114.6	T117	T117-S119 PolarHBondContact O-N 3.24Å; T117-S119 PolarHBondContact OG1-N 3.37Å; T117-S119 PolarHBondContact OG1-OG 2.81Å; T117-S119 VanDerWaalsContact OG1-OG 3.06Å
120	N	82.9	Confident	80.9	Confident	60 Å²	60	56 Å²	56	32%	0.321	31%	0.31	S	S	.	.	S	Bend	trans	-108.7	5	-174.2	73.5	-6.7	0	0	0	114.7	L114 N115 C116 T117	L114-N120 PolarHBondContact O-ND2 3.03Å; N115-N120 PolarHBondContact O-ND2 3.28Å; C116-N120 WeakPolarHBondContact CA-OD1 3.29Å; T117-N120 PolarHBondContact N-OD1 3.3Å; T117-N120 PolarHBondContact O-OD1 2.83Å; T117-N120 PolarHBondContact OG1-N 3Å; T117-N120 PolarHBondContact OG1-OD1 3.12Å
121	Q	87.1	Confident	80.8	Confident	48 Å²	48	56 Å²	56	22%	0.224	31%	0.31	C	S	.	.			trans	-75.6	131.5	178.6	-44.1	-168.3	28.9	0	0	110.1	Y111 T117	Y111-Q121 HydrophobicContact CD1-CB 4.03Å; T117-Q121 WeakPolarHBondContact O-CG 3.32Å; T117-Q121 PolarHBondContact O-NE2 2.95Å
122	K	85.5	Confident	80.7	Confident	154 Å²	154	52.8 Å²	52.8	67%	0.67	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.1	174.2	-63.4	-178	-178.2	180	0	109.9	Y111 T112	Y111-K122 CarbonylContact C-O 3.59Å; Y111-K122 WeakPolarHBondContact CA-O 3.11Å; T112-K122 PolarHBondContact N-O 2.01Å; T112-K122 PolarHBondContact O-N 3.32Å; T112-K122 PolarHBondContact OG1-O 3.17Å
123	V	86.4	Confident	80.5	Confident	76 Å²	76	52 Å²	52	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.8	173.8	178.2	0	0	0	0	109	R109 C110 Y111 L163	R109-V123 HydrophobicContact CB-CG1 3.72Å; R109-V123 HydrophobicContact CG-CG1 4.36Å; C110-V123 WeakPolarHBondContact O-CA 3.32Å; Y111-V123 HydrophobicContact CD1-CG2 3.91Å; Y111-V123 HydrophobicContact CE1-CG2 3.76Å; V123-L163 HydrophobicContact CB-CD2 4.5Å; V123-L163 HydrophobicContact CG1-CD2 3.75Å; V123-L163 HydrophobicContact CG2-CD2 3.94Å
124	L	80.7	Confident	80.5	Confident	89 Å²	89	55.9 Å²	55.9	47%	0.466	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	171.9	-100	156	0	0	0	108.8	R109 C110 T112 C127 C143	R109-L124 CarbonylContact C-O 3.55Å; R109-L124 WeakPolarHBondContact CA-O 3.01Å; C110-L124 PolarHBondContact N-O 3.35Å; C110-L124 PolarHBondContact O-N 2.97Å; T112-L124 HydrophobicContact CG2-CB 3.95Å; T112-L124 HydrophobicContact CG2-CD1 3.65Å; T112-L124 HydrophobicContact CG2-CG 4.36Å; L124-C127 PolarHBondContact O-SG 3.11Å; L124-C143 HydrophobicContact CB-CB 4.31Å
125	S	80.9	Confident	80.2	Confident	90 Å²	90	54.4 Å²	54.4	63%	0.629	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	166.4	172.8	54.3	0	0	0	0	111
126	G	75.6	Confident	79.9	Confident	43 Å²	43	55.7 Å²	55.7	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	11.4	178.8	0	0	0	0	0	114.3	F108	F108-G126 PolarHBondContact O-N 3.02Å
127	C	79.2	Confident	79.3	Confident	1 Å²	1	59 Å²	59	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.7	-178.2	-50.4	0	0	0	0	110.2	P107 F108 C110 L124 C143	P107-C127 CarbonylContact C-O 3.47Å; P107-C127 WeakPolarHBondContact CA-O 3.28Å; F108-C127 WeakPolarHBondContact CD2-O 3.25Å; F108-C127 PolarHBondContact N-O 3.3Å; F108-C127 WeakPolarHBondContact O-CB 3.29Å; F108-C127 PolarHBondContact O-N 2.01Å; C110-C127 HydrophobicContact CB-CB 4.31Å; C110-C127 WeakPolarHBondContact SG-CB 3.11Å; C110-C127 VanDerWaalsContact SG-SG 3.61Å; L124-C127 PolarHBondContact O-SG 3.11Å; C127-C143 WeakPolarHBondContact CA-SG 3.43Å; C127-C143 HydrophobicContact CB-CB 4.09Å; C127-C143 WeakPolarHBondContact CB-SG 3.46Å; C127-C143 WeakPolarHBondContact SG-CB 2.78Å; C127-C143 CovalentContact SG-SG 2.02Å; C127-C143 PolarHBondContact SG-SG 2.91Å
128	G	77.2	Confident	78.8	Confident	6 Å²	6	59.2 Å²	59.2	6%	0.062	35%	0.349	C	S	.	.	S	Bend	trans	-90.8	-12.2	169.4	0	0	0	0	0	113.3	F108 G144 T145	F108-G128 WeakPolarHBondContact CE2-O 3.3Å; G128-G144 PolarHBondContact N-O 3.39Å; G128-T145 CarbonylContact C-O 2.87Å; G128-T145 WeakPolarHBondContact CA-O 3.11Å
129	A	81.1	Confident	79	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	155.2	168.6	0	0	0	0	0	111.5	C110 G144	C110-A129 PolarHBondContact SG-O 2.91Å; C110-A129 VanDerWaalsContact SG-O 3.4Å; A129-G144 PolarHBondContact N-O 2.97Å; A129-G144 WeakPolarHBondContact O-CA 3.43Å; A129-G144 PolarHBondContact O-N 2.59Å
130	C	83.2	Confident	79	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.9	171.4	-52.3	0	0	0	0	110.1	R109 C110 C158 C159 C164 N165	R109-C130 PolarHBondContact O-SG 3.39Å; C110-C130 WeakPolarHBondContact CA-SG 2.96Å; C110-C130 HydrophobicContact CB-CB 3.7Å; C110-C130 WeakPolarHBondContact CB-SG 3.01Å; C110-C130 WeakPolarHBondContact SG-CA 3.4Å; C110-C130 WeakPolarHBondContact SG-CB 3.39Å; C110-C130 CovalentContact SG-SG 2.02Å; C110-C130 PolarHBondContact SG-SG 3.01Å; C130-C158 WeakPolarHBondContact O-CA 2.99Å; C130-C159 PolarHBondContact N-O 2.01Å; C130-C159 PolarHBondContact O-N 3.24Å; C130-C164 VanDerWaalsContact CB-SG 3.59Å; C130-N165 HydrophobicContact CB-CB 3.78Å
131	V	82.9	Confident	79	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.4	-179.2	-170.8	0	0	0	0	109.1	Y59 T133 K141 F142 L150 I156 S157 N165	Y59-V131 HydrophobicContact CD1-CB 4.15Å; Y59-V131 HydrophobicContact CD1-CG1 3.84Å; Y59-V131 HydrophobicContact CD1-CG2 4.07Å; Y59-V131 HydrophobicContact CE1-CB 4.14Å; Y59-V131 HydrophobicContact CE1-CG1 4.33Å; Y59-V131 HydrophobicContact CE1-CG2 3.73Å; Y59-V131 HydrophobicContact CE2-CG2 4.18Å; Y59-V131 HydrophobicContact CG-CG1 4.1Å; Y59-V131 HydrophobicContact CG-CG2 4.48Å; V131-T133 HydrophobicContact CG1-CG2 4.34Å; V131-K141 CarbonylContact O-C 3.54Å; V131-K141 VanDerWaalsContact O-CA 3.26Å; V131-K141 WeakPolarHBondContact O-CA 3.3Å; V131-F142 HydrophobicContact CB-CB 4.28Å; V131-F142 PolarHBondContact N-O 2.79Å; V131-F142 PolarHBondContact O-N 3.07Å; V131-L150 HydrophobicContact CG1-CD1 4.32Å; V131-L150 HydrophobicContact CG1-CD2 4.06Å; V131-L150 HydrophobicContact CG2-CD1 3.52Å; V131-I156 HydrophobicContact CG1-CG2 3.82Å; V131-S157 CarbonylContact C-O 3.42Å; V131-N165 PolarHBondContact O-ND2 3.06Å
132	T	84.3	Confident	78.8	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.3	165.4	-58	0	0	0	0	108.4	R134 I139 S140 K141 I156 S157 N165	T132-R134 HydrophobicContact CG2-CG 4.26Å; T132-I139 HydrophobicContact CG2-CG2 3.56Å; T132-S140 CarbonylContact C-O 3.59Å; T132-S140 WeakPolarHBondContact CA-O 3.31Å; T132-K141 HydrophobicContact CG2-CG 4.21Å; T132-K141 PolarHBondContact OG1-NZ 2.8Å; T132-I156 WeakPolarHBondContact O-CA 3.19Å; T132-S157 WeakPolarHBondContact CB-OG 2.93Å; T132-S157 PolarHBondContact N-O 3.04Å; T132-S157 PolarHBondContact O-N 2.74Å; T132-N165 WeakPolarHBondContact OG1-CB 3.45Å
133	T	79	Confident	78.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	145	168.3	65	0	0	0	0	109.2	Y34 V131 I139 S140 F142 Q155 I156	Y34-T133 WeakPolarHBondContact O-CB 3.34Å; Y34-T133 WeakPolarHBondContact O-CG2 3.38Å; Y34-T133 PolarHBondContact O-OG1 3.43Å; V131-T133 HydrophobicContact CG1-CG2 4.34Å; T133-I139 CarbonylContact O-C 3.48Å; T133-I139 WeakPolarHBondContact O-CA 3.41Å; T133-S140 PolarHBondContact N-O 2.03Å; T133-S140 PolarHBondContact O-N 2.99Å; T133-F142 HydrophobicContact CG2-CD2 4.35Å; T133-F142 HydrophobicContact CG2-CE2 3.93Å; T133-Q155 CarbonylContact C-O 3.53Å; T133-Q155 VanDerWaalsContact CA-O 3.32Å; T133-Q155 WeakPolarHBondContact CA-O 3.21Å; T133-I156 HydrophobicContact CG2-CG1 4.26Å; T133-I156 HydrophobicContact CG2-CG2 4.12Å
134	R	76.2	Confident	77.7	Confident	94 Å²	94	33.3 Å²	33.3	36%	0.355	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	95.1	179.9	-59.4	-174.2	-178.1	83.3	5.3	106.4	T132 I138 I139 Q155 S157	T132-R134 HydrophobicContact CG2-CG 4.26Å; R134-I138 WeakPolarHBondContact CA-O 3.02Å; R134-I139 HydrophobicContact CG-CG1 4.22Å; R134-Q155 PolarHBondContact N-O 3.2Å; R134-Q155 WeakPolarHBondContact O-CB 3.41Å; R134-Q155 VanDerWaalsContact O-CG 3.29Å; R134-Q155 WeakPolarHBondContact O-CG 3.49Å; R134-Q155 PolarHBondContact O-OE1 3.33Å; R134-Q155 VanDerWaalsContact O-OE1 3.06Å; R134-S157 PolarHBondContact NH1-OG 2.91Å; R134-S157 VanDerWaalsContact NH1-OG 3.11Å
135	G	68.1	Low	77.2	Confident	6 Å²	6	30.5 Å²	30.5	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	-178.9	0	0	0	0	0	110.3	G137 I138	G135-G137 PolarHBondContact O-N 3.31Å; G135-G137 VanDerWaalsContact O-N 3.11Å; G135-I138 PolarHBondContact N-O 3.32Å; G135-I138 WeakPolarHBondContact O-CA 3.32Å; G135-I138 WeakPolarHBondContact O-CB 3.01Å; G135-I138 PolarHBondContact O-N 2.82Å
136	S	67.5	Low	76.8	Confident	94 Å²	94	28.7 Å²	28.7	66%	0.657	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37	176.6	-65.6	0	0	0	0	113.9	D33 I138	D33-S136 PolarHBondContact OD2-OG 2.87Å; S136-I138 PolarHBondContact O-N 3Å
137	G	67.6	Low	76.7	Confident	84 Å²	84	27.9 Å²	27.9	87%	0.866	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-4.6	-177.7	0	0	0	0	0	115.1	G135	G135-G137 PolarHBondContact O-N 3.31Å; G135-G137 VanDerWaalsContact O-N 3.11Å
138	I	71.3	Confident	75.9	Confident	70 Å²	70	36.8 Å²	36.8	36%	0.359	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.1	179.7	-60.1	177.1	0	0	0	109	N115 R134 G135 S136	N115-I138 HydrophobicContact CB-CG2 3.7Å; R134-I138 WeakPolarHBondContact CA-O 3.02Å; G135-I138 PolarHBondContact N-O 3.32Å; G135-I138 WeakPolarHBondContact O-CA 3.32Å; G135-I138 WeakPolarHBondContact O-CB 3.01Å; G135-I138 PolarHBondContact O-N 2.82Å; S136-I138 PolarHBondContact O-N 3Å
139	I	81.3	Confident	74.7	Confident	42 Å²	42	43.1 Å²	43.1	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.1	171.9	-57.7	-176.6	0	0	0	107.9	N115 C116 T132 T133 R134 M167	N115-I139 CarbonylContact C-O 3.58Å; N115-I139 WeakPolarHBondContact CA-O 3.08Å; N115-I139 PolarHBondContact N-O 2.83Å; C116-I139 HydrophobicContact CB-CB 4.39Å; C116-I139 HydrophobicContact CB-CG2 4.33Å; C116-I139 VanDerWaalsContact CB-O 3.32Å; C116-I139 WeakPolarHBondContact CB-O 3.24Å; C116-I139 PolarHBondContact N-O 2.92Å; C116-I139 PolarHBondContact SG-O 3.36Å; C116-I139 VanDerWaalsContact SG-O 3.34Å; T132-I139 HydrophobicContact CG2-CG2 3.56Å; T133-I139 CarbonylContact O-C 3.48Å; T133-I139 WeakPolarHBondContact O-CA 3.41Å; R134-I139 HydrophobicContact CG-CG1 4.22Å; I139-M167 HydrophobicContact CD1-CE 4.36Å; I139-M167 HydrophobicContact CD1-SD 3.51Å; I139-M167 VanDerWaalsContact CD1-SD 3.51Å; I139-M167 HydrophobicContact CG2-SD 4.07Å
140	S	81.1	Confident	73.3	Confident	10 Å²	10	43.9 Å²	43.9	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.7	170.6	-61.8	0	0	0	0	110.2	C113 N115 T132 T133 F142	C113-S140 CarbonylContact O-C 3.46Å; C113-S140 WeakPolarHBondContact O-CA 3.48Å; N115-S140 PolarHBondContact N-OG 3.08Å; T132-S140 CarbonylContact C-O 3.59Å; T132-S140 WeakPolarHBondContact CA-O 3.31Å; T133-S140 PolarHBondContact N-O 2.03Å; T133-S140 PolarHBondContact O-N 2.99Å; S140-F142 VanDerWaalsContact CB-CZ 3.46Å
141	K	83.3	Confident	71.7	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.1	-176.9	-66.1	179.3	-167.5	-60.5	0	110.4	Y111 T112 C113 C116 V131 T132 N165	Y111-K141 VanDerWaalsContact O-CB 3.3Å; Y111-K141 WeakPolarHBondContact O-CB 3.32Å; T112-K141 VanDerWaalsContact CA-O 3.27Å; T112-K141 WeakPolarHBondContact CA-O 3.45Å; C113-K141 PolarHBondContact N-O 3.21Å; C113-K141 PolarHBondContact O-N 2.78Å; C116-K141 VanDerWaalsContact SG-CG 3.56Å; V131-K141 CarbonylContact O-C 3.54Å; V131-K141 VanDerWaalsContact O-CA 3.26Å; V131-K141 WeakPolarHBondContact O-CA 3.3Å; T132-K141 HydrophobicContact CG2-CG 4.21Å; T132-K141 PolarHBondContact OG1-NZ 2.8Å; K141-N165 VanDerWaalsContact CE-O 3.24Å; K141-N165 WeakPolarHBondContact CE-O 3.41Å; K141-N165 PolarHBondContact NZ-O 2.93Å
142	F	81.7	Confident	70.3	Confident	11 Å²	11	59 Å²	59	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.5	-173.8	-50.2	-78.3	0	0	0	112	P36 I37 Y59 L114 V131 T133 S140	P36-F142 HydrophobicContact CG-CD1 4.29Å; P36-F142 HydrophobicContact CG-CD2 4.24Å; P36-F142 HydrophobicContact CG-CE1 4.08Å; P36-F142 HydrophobicContact CG-CE2 4.02Å; P36-F142 HydrophobicContact CG-CG 4.36Å; P36-F142 HydrophobicContact CG-CZ 3.93Å; I37-F142 HydrophobicContact CB-CE1 4.12Å; I37-F142 HydrophobicContact CD1-CD1 3.95Å; I37-F142 HydrophobicContact CD1-CE1 4.21Å; I37-F142 HydrophobicContact CG1-CD1 4.33Å; I37-F142 HydrophobicContact CG1-CE1 4.21Å; Y59-F142 HydrophobicContact CD1-CD2 4.41Å; Y59-F142 HydrophobicContact CE1-CB 4.17Å; L114-F142 HydrophobicContact CD2-CE1 3.68Å; L114-F142 HydrophobicContact CD2-CZ 3.73Å; L114-F142 HydrophobicContact CG-CE1 4.34Å; V131-F142 HydrophobicContact CB-CB 4.28Å; V131-F142 PolarHBondContact N-O 2.79Å; V131-F142 PolarHBondContact O-N 3.07Å; T133-F142 HydrophobicContact CG2-CD2 4.35Å; T133-F142 HydrophobicContact CG2-CE2 3.93Å; S140-F142 VanDerWaalsContact CB-CZ 3.46Å
143	C	77.8	Confident	69.1	Low	47 Å²	47	61.1 Å²	61.1	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.3	165.1	-179.1	0	0	0	0	107.6	T112 L124 C127	T112-C143 HydrophobicContact CG2-CB 3.97Å; L124-C143 HydrophobicContact CB-CB 4.31Å; C127-C143 WeakPolarHBondContact CA-SG 3.43Å; C127-C143 HydrophobicContact CB-CB 4.09Å; C127-C143 WeakPolarHBondContact CB-SG 3.46Å; C127-C143 WeakPolarHBondContact SG-CB 2.78Å; C127-C143 CovalentContact SG-SG 2.02Å; C127-C143 PolarHBondContact SG-SG 2.91Å
144	G	72.5	Confident	68.4	Low	6 Å²	6	68.3 Å²	68.3	6%	0.062	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	177.3	-176.9	0	0	0	0	0	113.8	Y59 G128 A129	Y59-G144 WeakPolarHBondContact OH-CA 3.46Å; G128-G144 PolarHBondContact N-O 3.39Å; A129-G144 PolarHBondContact N-O 2.97Å; A129-G144 WeakPolarHBondContact O-CA 3.43Å; A129-G144 PolarHBondContact O-N 2.59Å
145	T	69.5	Low	68.1	Low	29 Å²	29	67.1 Å²	67.1	18%	0.178	36%	0.363	C	S	.	.	S	Bend	trans	-89.4	-57.9	-176.4	55.4	0	0	0	0	112	P100 G128	P100-T145 HydrophobicContact CG-CG2 4.02Å; G128-T145 CarbonylContact C-O 2.87Å; G128-T145 WeakPolarHBondContact CA-O 3.11Å
146	T	73.2	Confident	68.4	Low	53 Å²	53	67 Å²	67	33%	0.325	36%	0.361	S	S	.	.			trans	-148.8	154.4	172.1	65.2	0	0	0	0	110.6	E148	T146-E148 VanDerWaalsContact C-N 3.33Å
147	C	73.7	Confident	69.1	Low	26 Å²	26	64.4 Å²	64.4	18%	0.176	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-74.9	-19.5	175	-69.4	0	0	0	0	114.1	R149 L150 C158 C159 S160	C147-R149 PolarHBondContact O-N 2.97Å; C147-R149 VanDerWaalsContact O-N 3.09Å; C147-L150 PolarHBondContact O-N 3.32Å; C147-L150 VanDerWaalsContact O-N 3.14Å; C147-C158 WeakPolarHBondContact CA-SG 3.44Å; C147-C158 HydrophobicContact CB-CB 3.76Å; C147-C158 WeakPolarHBondContact CB-SG 3.37Å; C147-C158 WeakPolarHBondContact SG-CB 3.3Å; C147-C158 CovalentContact SG-SG 2.03Å; C147-C158 PolarHBondContact SG-SG 2.94Å; C147-C159 VanDerWaalsContact SG-C 3.56Å; C147-C159 PolarHBondContact SG-N 3.5Å; C147-S160 PolarHBondContact SG-OG 3.31Å; C147-S160 VanDerWaalsContact SG-OG 3.33Å
148	E	62.6	Low	69.7	Low	187 Å²	187	61.7 Å²	61.7	87%	0.874	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.8	-15.2	-177.2	-66.5	178.7	165.1	0	0	113.5	T146	T146-E148 VanDerWaalsContact C-N 3.33Å
149	R	51.4	Low	70.3	Confident	140 Å²	140	60 Å²	60	53%	0.528	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-99.9	7.2	179.1	-67.1	-174.9	175.9	-178.5	0.3	114.3	N58 C147	N58-R149 PolarHBondContact ND2-O 3.47Å; C147-R149 PolarHBondContact O-N 2.97Å; C147-R149 VanDerWaalsContact O-N 3.09Å
150	L	51.3	Low	70.5	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.084	31%	0.312	C	S	.	.			trans	-101.9	119.2	-178.2	-91	142.8	0	0	0	110.1	Y59 V131 C147 I152 I156 C158	Y59-L150 HydrophobicContact CD2-CD1 3.71Å; Y59-L150 HydrophobicContact CD2-CD2 3.27Å; Y59-L150 HydrophobicContact CD2-CG 3.47Å; Y59-L150 VanDerWaalsContact CD2-CG 3.47Å; Y59-L150 HydrophobicContact CE2-CD1 3.72Å; Y59-L150 HydrophobicContact CE2-CD2 4.15Å; Y59-L150 HydrophobicContact CE2-CG 3.93Å; Y59-L150 HydrophobicContact CG-CD1 4.46Å; Y59-L150 HydrophobicContact CG-CD2 3.57Å; Y59-L150 HydrophobicContact CG-CG 4.26Å; V131-L150 HydrophobicContact CG1-CD1 4.32Å; V131-L150 HydrophobicContact CG1-CD2 4.06Å; V131-L150 HydrophobicContact CG2-CD1 3.52Å; C147-L150 PolarHBondContact O-N 3.32Å; C147-L150 VanDerWaalsContact O-N 3.14Å; L150-I152 PolarHBondContact O-N 2.84Å; L150-I152 VanDerWaalsContact O-N 3.1Å; L150-I156 HydrophobicContact CD2-CG2 3.53Å; L150-C158 HydrophobicContact CB-CB 4.43Å; L150-C158 HydrophobicContact CD1-CB 3.73Å; L150-C158 WeakPolarHBondContact CD1-SG 3.27Å
151	Y	50	Low	70.7	Confident	187 Å²	187	64.1 Å²	64.1	73%	0.733	33%	0.334	S	S	*	.			trans	-65.6	108	163.2	-163.8	-92.7	0	0	0	107	D153	Y151-D153 HydrophobicContact CD1-CB 4.45Å; Y151-D153 PolarHBondContact O-N 2.9Å
152	I	53.1	Low	70.9	Confident	129 Å²	129	67.6 Å²	67.6	66%	0.662	35%	0.352	S	S	*	.			trans	-78.5	92.6	-178.5	-58.4	175.1	0	0	0	107.1	L150	L150-I152 PolarHBondContact O-N 2.84Å; L150-I152 VanDerWaalsContact O-N 3.1Å
153	D	59.6	Low	71.3	Confident	49 Å²	49	69.1 Å²	69.1	26%	0.262	36%	0.361	S	S	.	.			trans	-91.5	161.8	165.1	-170.6	0.4	0	0	0	109	Y34 Y151 Q155 I156	Y34-D153 PolarHBondContact OH-OD2 2.82Å; Y151-D153 HydrophobicContact CD1-CB 4.45Å; Y151-D153 PolarHBondContact O-N 2.9Å; D153-Q155 PolarHBondContact O-N 3.05Å; D153-I156 CarbonylContact O-C 3.56Å; D153-I156 PolarHBondContact O-N 3.49Å
154	D	63.3	Low	71.8	Confident	153 Å²	153	68.8 Å²	68.8	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-28	178.8	-53.5	-17.2	0	0	0	111.9
155	Q	71.2	Confident	72.6	Confident	68 Å²	68	68.9 Å²	68.9	32%	0.318	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.7	-179.3	-65.5	-166.7	64	0	0	113.5	Y34 T133 R134 D153	Y34-Q155 HydrophobicContact CD2-CB 4.24Å; Y34-Q155 HydrophobicContact CE2-CB 3.92Å; Y34-Q155 HydrophobicContact CE2-CG 4.24Å; Y34-Q155 PolarHBondContact OH-NE2 3.23Å; T133-Q155 CarbonylContact C-O 3.53Å; T133-Q155 VanDerWaalsContact CA-O 3.32Å; T133-Q155 WeakPolarHBondContact CA-O 3.21Å; R134-Q155 PolarHBondContact N-O 3.2Å; R134-Q155 WeakPolarHBondContact O-CB 3.41Å; R134-Q155 VanDerWaalsContact O-CG 3.29Å; R134-Q155 WeakPolarHBondContact O-CG 3.49Å; R134-Q155 PolarHBondContact O-OE1 3.33Å; R134-Q155 VanDerWaalsContact O-OE1 3.06Å; D153-Q155 PolarHBondContact O-N 3.05Å
156	I	74.8	Confident	73.1	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.4	-178.2	-45.6	176.6	0	0	0	110.4	Y34 S60 V131 T132 T133 L150 D153	Y34-I156 HydrophobicContact CD1-CD1 3.4Å; Y34-I156 VanDerWaalsContact CD1-CD1 3.4Å; Y34-I156 HydrophobicContact CD1-CG1 3.64Å; Y34-I156 HydrophobicContact CE1-CD1 3.81Å; Y34-I156 HydrophobicContact CE1-CG1 4.04Å; Y34-I156 HydrophobicContact CG-CD1 4.4Å; Y34-I156 HydrophobicContact CG-CG1 4.28Å; S60-I156 WeakPolarHBondContact OG-CD1 3.31Å; V131-I156 HydrophobicContact CG1-CG2 3.82Å; T132-I156 WeakPolarHBondContact O-CA 3.19Å; T133-I156 HydrophobicContact CG2-CG1 4.26Å; T133-I156 HydrophobicContact CG2-CG2 4.12Å; L150-I156 HydrophobicContact CD2-CG2 3.53Å; D153-I156 CarbonylContact O-C 3.56Å; D153-I156 PolarHBondContact O-N 3.49Å
157	S	80.6	Confident	72.6	Confident	40 Å²	40	70 Å²	70	28%	0.28	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.4	171.1	58.1	0	0	0	0	111	V131 T132 R134	V131-S157 CarbonylContact C-O 3.42Å; T132-S157 WeakPolarHBondContact CB-OG 2.93Å; T132-S157 PolarHBondContact N-O 3.04Å; T132-S157 PolarHBondContact O-N 2.74Å; R134-S157 PolarHBondContact NH1-OG 2.91Å; R134-S157 VanDerWaalsContact NH1-OG 3.11Å
158	C	80.9	Confident	71.4	Confident	27 Å²	27	74.4 Å²	74.4	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.5	173	-166.2	0	0	0	0	111	C130 C147 L150	C130-C158 WeakPolarHBondContact O-CA 2.99Å; C147-C158 WeakPolarHBondContact CA-SG 3.44Å; C147-C158 HydrophobicContact CB-CB 3.76Å; C147-C158 WeakPolarHBondContact CB-SG 3.37Å; C147-C158 WeakPolarHBondContact SG-CB 3.3Å; C147-C158 CovalentContact SG-SG 2.03Å; C147-C158 PolarHBondContact SG-SG 2.94Å; L150-C158 HydrophobicContact CB-CB 4.43Å; L150-C158 HydrophobicContact CD1-CB 3.73Å; L150-C158 WeakPolarHBondContact CD1-SG 3.27Å
159	C	83.9	Confident	70.3	Confident	35 Å²	35	74.7 Å²	74.7	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	147.9	172.8	54.1	0	0	0	0	111.1	C130 C147 C164	C130-C159 PolarHBondContact N-O 2.01Å; C130-C159 PolarHBondContact O-N 3.24Å; C147-C159 VanDerWaalsContact SG-C 3.56Å; C147-C159 PolarHBondContact SG-N 3.5Å; C159-C164 HydrophobicContact CB-CB 3.75Å; C159-C164 WeakPolarHBondContact CB-SG 3.48Å; C159-C164 PolarHBondContact O-SG 3.17Å; C159-C164 VanDerWaalsContact O-SG 3.35Å; C159-C164 WeakPolarHBondContact SG-CB 3.24Å; C159-C164 CovalentContact SG-SG 2.01Å; C159-C164 PolarHBondContact SG-SG 3.05Å
160	S	84.7	Confident	69.6	Low	54 Å²	54	73.6 Å²	73.6	38%	0.378	39%	0.394	S	S	.	.			trans	-115.2	48.2	-175.8	-53.9	0	0	0	0	111.5	F108 C147	F108-S160 WeakPolarHBondContact CE2-O 3.48Å; F108-S160 VanDerWaalsContact CZ-O 3.23Å; F108-S160 WeakPolarHBondContact CZ-O 3.34Å; C147-S160 PolarHBondContact SG-OG 3.31Å; C147-S160 VanDerWaalsContact SG-OG 3.33Å
161	T	85.3	Confident	69	Low	85 Å²	85	76.3 Å²	76.3	52%	0.521	41%	0.414	S	S	.	.	S	Bend	trans	-134.5	156.3	176.6	35.9	0	0	0	0	109.9	L163 C164	T161-L163 PolarHBondContact O-N 2.77Å; T161-C164 VanDerWaalsContact O-CB 3.3Å; T161-C164 WeakPolarHBondContact O-CB 3.2Å; T161-C164 PolarHBondContact O-N 3.35Å; T161-C164 PolarHBondContact O-SG 3.37Å; T161-C164 WeakPolarHBondContact OG1-CB 3.38Å
162	D	88.5	Confident	68.4	Low	75 Å²	75	74.1 Å²	74.1	40%	0.401	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	125.3	-175.9	-161.6	40.2	0	0	0	111.2	R109 C164	R109-D162 WeakPolarHBondContact CA-OD1 3.4Å; R109-D162 WeakPolarHBondContact CB-OD1 3.26Å; R109-D162 WeakPolarHBondContact CG-OD1 3.41Å; R109-D162 IonicContact CZ-OD2 3.06Å; R109-D162 VanDerWaalsContact CZ-OD2 3.29Å; R109-D162 PolarHBondContact N-OD1 2.84Å; R109-D162 IonicContact NE-OD1 2.97Å; R109-D162 PolarHBondContact NE-OD1 2.89Å; R109-D162 IonicContact NE-OD2 3.29Å; R109-D162 PolarHBondContact NE-OD2 3.33Å; R109-D162 IonicContact NH2-OD2 2.68Å; R109-D162 PolarHBondContact NH2-OD2 2.91Å; D162-C164 PolarHBondContact O-N 3.32Å
163	L	89.4	Confident	67.7	Low	43 Å²	43	73 Å²	73	23%	0.225	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	20.6	178.5	-60.9	173.8	0	0	0	114.9	R109 Y111 V123 T161 N165 G166	R109-L163 HydrophobicContact CB-CD2 3.86Å; R109-L163 HydrophobicContact CB-CG 4.22Å; R109-L163 WeakPolarHBondContact O-CA 3.41Å; R109-L163 PolarHBondContact O-N 3.38Å; Y111-L163 HydrophobicContact CD2-CB 4.32Å; Y111-L163 HydrophobicContact CD2-CD2 4.05Å; Y111-L163 HydrophobicContact CE2-CB 3.79Å; Y111-L163 HydrophobicContact CE2-CD2 3.81Å; Y111-L163 HydrophobicContact CE2-CG 4.28Å; V123-L163 HydrophobicContact CB-CD2 4.5Å; V123-L163 HydrophobicContact CG1-CD2 3.75Å; V123-L163 HydrophobicContact CG2-CD2 3.94Å; T161-L163 PolarHBondContact O-N 2.77Å; L163-N165 PolarHBondContact O-N 3.46Å; L163-N165 VanDerWaalsContact O-N 3.11Å; L163-G166 PolarHBondContact O-N 3.28Å
164	C	88.6	Confident	66.8	Low	40 Å²	40	80.1 Å²	80.1	27%	0.27	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.8	-172.3	64.9	0	0	0	0	114.4	C130 C159 T161 D162 G166	C130-C164 VanDerWaalsContact CB-SG 3.59Å; C159-C164 HydrophobicContact CB-CB 3.75Å; C159-C164 WeakPolarHBondContact CB-SG 3.48Å; C159-C164 PolarHBondContact O-SG 3.17Å; C159-C164 VanDerWaalsContact O-SG 3.35Å; C159-C164 WeakPolarHBondContact SG-CB 3.24Å; C159-C164 CovalentContact SG-SG 2.01Å; C159-C164 PolarHBondContact SG-SG 3.05Å; T161-C164 VanDerWaalsContact O-CB 3.3Å; T161-C164 WeakPolarHBondContact O-CB 3.2Å; T161-C164 PolarHBondContact O-N 3.35Å; T161-C164 PolarHBondContact O-SG 3.37Å; T161-C164 WeakPolarHBondContact OG1-CB 3.38Å; D162-C164 PolarHBondContact O-N 3.32Å; C164-G166 VanDerWaalsContact C-N 3.26Å
165	N	88.8	Confident	65.8	Low	7 Å²	7	79.1 Å²	79.1	4%	0.037	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	5.7	174.7	72.9	-18.2	0	0	0	113	Y111 C130 V131 T132 K141 L163 M167	Y111-N165 WeakPolarHBondContact CB-OD1 3.27Å; Y111-N165 PolarHBondContact N-OD1 2.81Å; Y111-N165 PolarHBondContact O-ND2 2.75Å; C130-N165 HydrophobicContact CB-CB 3.78Å; V131-N165 PolarHBondContact O-ND2 3.06Å; T132-N165 WeakPolarHBondContact OG1-CB 3.45Å; K141-N165 VanDerWaalsContact CE-O 3.24Å; K141-N165 WeakPolarHBondContact CE-O 3.41Å; K141-N165 PolarHBondContact NZ-O 2.93Å; L163-N165 PolarHBondContact O-N 3.46Å; L163-N165 VanDerWaalsContact O-N 3.11Å; N165-M167 PolarHBondContact O-N 2.99Å; N165-M167 VanDerWaalsContact O-N 3.13Å
166	G	81.3	Confident	64.7	Low	27 Å²	27	79.2 Å²	79.2	28%	0.278	42%	0.424	S	S	.	.	S	Bend	trans	-66.3	107.3	168.8	0	0	0	0	0	108.9	Y111 L163 C164 T168	Y111-G166 VanDerWaalsContact CD2-N 3.34Å; L163-G166 PolarHBondContact O-N 3.28Å; C164-G166 VanDerWaalsContact C-N 3.26Å; G166-T168 PolarHBondContact O-N 3.45Å
167	M	62.2	Low	63.5	Low	79 Å²	79	83.3 Å²	83.3	39%	0.389	45%	0.445	S	S	.	.	S	Bend	trans	-56.2	117.5	-174.5	-65.5	-170.2	-72.1	0	0	111.9	I139 N165	I139-M167 HydrophobicContact CD1-CE 4.36Å; I139-M167 HydrophobicContact CD1-SD 3.51Å; I139-M167 VanDerWaalsContact CD1-SD 3.51Å; I139-M167 HydrophobicContact CG2-SD 4.07Å; N165-M167 PolarHBondContact O-N 2.99Å; N165-M167 VanDerWaalsContact O-N 3.13Å
168	T	47.9	Very low	62.1	Low	118 Å²	118	86.2 Å²	86.2	72%	0.724	46%	0.456	S	S	*	.				-151.3	100	123.4	31.2	0	0	0	0	108.6	G166 L170	G166-T168 PolarHBondContact O-N 3.45Å; T168-L170 PolarHBondContact O-N 2.81Å
169	K	39.3	Very low	60.8	Low	193 Å²	193	89.3 Å²	89.3	84%	0.839	47%	0.474	S	S	*	.			trans	-75.2	92.5	155.3	-149.2	178.1	-171.3	-179.3	0	105	S171	K169-S171 PolarHBondContact O-N 3.49Å
170	L	36.6	Very low	59.3	Low	117 Å²	117	92.2 Å²	92.2	61%	0.613	49%	0.487	S	S	*	.			trans	-70.4	60	176.7	-150.9	89.4	0	0	0	109.7	T168 I172 H173	T168-L170 PolarHBondContact O-N 2.81Å; L170-I172 VanDerWaalsContact C-N 3.32Å; L170-H173 HydrophobicContact CD2-CB 3.91Å; L170-H173 HydrophobicContact CG-CB 4.29Å
171	S	38.4	Very low	57.8	Low	74 Å²	74	96.8 Å²	96.8	52%	0.517	50%	0.5	S	S	.	.			trans	-88.5	2.5	-179.6	-165.4	0	0	0	0	113.4	K169	K169-S171 PolarHBondContact O-N 3.49Å
172	I	39	Very low	56.5	Low	141 Å²	141	96.6 Å²	96.6	72%	0.723	50%	0.499	S	S	*	.	S	Bend	trans	-93.1	-19.6	176.5	-60.1	174	0	0	0	111.1	L170 R174	L170-I172 VanDerWaalsContact C-N 3.32Å; I172-R174 PolarHBondContact O-N 3.34Å
173	H	37.8	Very low	55	Low	105 Å²	105	96.3 Å²	96.3	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-77.2	-18.2	178.5	-104.8	-59.3	0	0	0	114.9	L170 I177	L170-H173 HydrophobicContact CD2-CB 3.91Å; L170-H173 HydrophobicContact CG-CB 4.29Å; H173-I177 WeakPolarHBondContact O-CG1 3.43Å; H173-I177 PolarHBondContact O-N 2.79Å
174	R	41.3	Very low	53.5	Low	199 Å²	199	98.8 Å²	98.8	75%	0.751	51%	0.514	S	S	*	.	H	α-helix	trans	-72.1	-32.6	177.9	-124.8	-179.5	-179.6	-159.5	-0.5	112.4	I172 I178	I172-R174 PolarHBondContact O-N 3.34Å; R174-I178 WeakPolarHBondContact O-CD1 3.39Å; R174-I178 VanDerWaalsContact O-CG1 3.3Å; R174-I178 WeakPolarHBondContact O-CG1 3.42Å; R174-I178 PolarHBondContact O-N 2.93Å
175	H	41.9	Very low	51.9	Low	132 Å²	132	98.6 Å²	98.6	61%	0.611	52%	0.519	S	S	*	.	H	α-helix	trans	-75.9	-36.3	177.1	-66.4	-56.5	0	0	0	112.5	I178 V179	H175-I178 PolarHBondContact O-N 2.89Å; H175-V179 VanDerWaalsContact O-CG2 3.3Å; H175-V179 WeakPolarHBondContact O-CG2 3.23Å; H175-V179 PolarHBondContact O-N 2.83Å
176	V	47.2	Very low	50.4	Low	70 Å²	70	102.5 Å²	102.5	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-39.1	177.4	179.2	0	0	0	0	111.4	L180	V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 PolarHBondContact O-N 3.42Å
177	I	49.9	Very low	49.2	Very low	88 Å²	88	105.4 Å²	105.4	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-66.9	-43.3	177.5	-69	169	0	0	0	111.3	H173 L180 F181	H173-I177 WeakPolarHBondContact O-CG1 3.43Å; H173-I177 PolarHBondContact O-N 2.79Å; I177-L180 PolarHBondContact O-N 2.86Å; I177-F181 HydrophobicContact CG2-CD2 3.82Å; I177-F181 HydrophobicContact CG2-CE2 3.8Å; I177-F181 VanDerWaalsContact O-CD2 3.29Å; I177-F181 WeakPolarHBondContact O-CD2 3.38Å; I177-F181 PolarHBondContact O-N 2.94Å; I177-F181 VanDerWaalsContact O-N 3.11Å
178	I	51.8	Low	48.7	Very low	101 Å²	101	109.9 Å²	109.9	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-65.6	-41.4	179.7	-66.8	168.3	0	0	0	111.2	R174 H175 F181 V182	R174-I178 WeakPolarHBondContact O-CD1 3.39Å; R174-I178 VanDerWaalsContact O-CG1 3.3Å; R174-I178 WeakPolarHBondContact O-CG1 3.42Å; R174-I178 PolarHBondContact O-N 2.93Å; H175-I178 PolarHBondContact O-N 2.89Å; I178-F181 PolarHBondContact O-N 3.46Å; I178-V182 WeakPolarHBondContact O-CG2 3.48Å; I178-V182 PolarHBondContact O-N 3.33Å; I178-V182 VanDerWaalsContact O-N 3.14Å
179	V	53.1	Low	48.9	Very low	92 Å²	92	114.3 Å²	114.3	56%	0.558	58%	0.578	S	S	*	*	H	α-helix	trans	-65.7	-38.7	177.2	173.8	0	0	0	0	111.6	H175 F181 V182 C183	H175-V179 VanDerWaalsContact O-CG2 3.3Å; H175-V179 WeakPolarHBondContact O-CG2 3.23Å; H175-V179 PolarHBondContact O-N 2.83Å; V179-F181 PolarHBondContact O-N 3.33Å; V179-V182 PolarHBondContact O-N 2.89Å; V179-C183 PolarHBondContact O-N 3.32Å; V179-C183 PolarHBondContact O-SG 3.46Å; V179-C183 VanDerWaalsContact O-SG 3.39Å
180	L	52.3	Low	49.3	Very low	97 Å²	97	111.6 Å²	111.6	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-62.8	-41.1	175.6	-104.6	138	0	0	0	112.8	V176 I177 C183 I184	V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 PolarHBondContact O-N 3.42Å; I177-L180 PolarHBondContact O-N 2.86Å; L180-C183 PolarHBondContact O-N 3.46Å; L180-I184 HydrophobicContact CD2-CD1 4.22Å; L180-I184 WeakPolarHBondContact O-CD1 3.27Å; L180-I184 VanDerWaalsContact O-CG1 3.28Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 2.96Å
181	F	54	Low	49.4	Very low	149 Å²	149	116.8 Å²	116.8	65%	0.654	60%	0.598	S	S	*	*	H	α-helix	trans	-67.6	-36	176.9	-87	-74	0	0	0	112.9	I177 I178 V179 G185	I177-F181 HydrophobicContact CG2-CD2 3.82Å; I177-F181 HydrophobicContact CG2-CE2 3.8Å; I177-F181 VanDerWaalsContact O-CD2 3.29Å; I177-F181 WeakPolarHBondContact O-CD2 3.38Å; I177-F181 PolarHBondContact O-N 2.94Å; I177-F181 VanDerWaalsContact O-N 3.11Å; I178-F181 PolarHBondContact O-N 3.46Å; V179-F181 PolarHBondContact O-N 3.33Å; F181-G185 PolarHBondContact O-N 3.08Å
182	V	57.5	Low	50	Low	81 Å²	81	119 Å²	119	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-67.1	-42.6	175.4	174.1	0	0	0	0	110.9	I178 V179 G185 I186	I178-V182 WeakPolarHBondContact O-CG2 3.48Å; I178-V182 PolarHBondContact O-N 3.33Å; I178-V182 VanDerWaalsContact O-N 3.14Å; V179-V182 PolarHBondContact O-N 2.89Å; V182-G185 PolarHBondContact O-N 3.46Å; V182-I186 HydrophobicContact CG1-CD1 3.67Å; V182-I186 HydrophobicContact CG1-CG1 4.44Å; V182-I186 VanDerWaalsContact O-CG1 3.25Å; V182-I186 WeakPolarHBondContact O-CG1 3.34Å; V182-I186 PolarHBondContact O-N 3.49Å
183	C	57.7	Low	50.6	Low	70 Å²	70	117.8 Å²	117.8	47%	0.473	60%	0.596	S	S	.	*	H	α-helix	trans	-66.1	-40	177	-68.7	0	0	0	0	112.9	V179 L180 G185 S187	V179-C183 PolarHBondContact O-N 3.32Å; V179-C183 PolarHBondContact O-SG 3.46Å; V179-C183 VanDerWaalsContact O-SG 3.39Å; L180-C183 PolarHBondContact O-N 3.46Å; C183-G185 VanDerWaalsContact C-N 3.35Å; C183-S187 PolarHBondContact O-N 3.46Å; C183-S187 VanDerWaalsContact O-N 3.07Å; C183-S187 PolarHBondContact O-OG 2.85Å
184	I	58	Low	51.3	Low	94 Å²	94	118.5 Å²	118.5	48%	0.482	60%	0.602	S	S	.	*	H	α-helix	trans	-69.6	-34.5	176.7	-64.5	161.9	0	0	0	111.2	L180 K188	L180-I184 HydrophobicContact CD2-CD1 4.22Å; L180-I184 WeakPolarHBondContact O-CD1 3.27Å; L180-I184 VanDerWaalsContact O-CG1 3.28Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 2.96Å; I184-K188 PolarHBondContact O-N 3.05Å
185	G	54.3	Low	51.9	Low	37 Å²	37	113.8 Å²	113.8	38%	0.381	59%	0.593	S	S	.	*	H	α-helix	trans	-66.6	-41.7	175.2	0	0	0	0	0	113.2	F181 V182 C183 K188	F181-G185 PolarHBondContact O-N 3.08Å; V182-G185 PolarHBondContact O-N 3.46Å; C183-G185 VanDerWaalsContact C-N 3.35Å; G185-K188 PolarHBondContact O-N 3.3Å
186	I	57.6	Low	52.5	Low	89 Å²	89	112.6 Å²	112.6	46%	0.456	59%	0.592	S	S	.	*	H	α-helix	trans	-70.7	-40	178.6	-65.1	165.2	0	0	0	111.1	V182 K188 Y189 I190	V182-I186 HydrophobicContact CG1-CD1 3.67Å; V182-I186 HydrophobicContact CG1-CG1 4.44Å; V182-I186 VanDerWaalsContact O-CG1 3.25Å; V182-I186 WeakPolarHBondContact O-CG1 3.34Å; V182-I186 PolarHBondContact O-N 3.49Å; I186-K188 PolarHBondContact O-N 2.97Å; I186-Y189 PolarHBondContact O-N 3.11Å; I186-I190 HydrophobicContact CG2-CD1 3.57Å; I186-I190 HydrophobicContact CG2-CG1 4.37Å; I186-I190 PolarHBondContact O-N 3.27Å
187	S	55.8	Low	52.8	Low	87 Å²	87	115.5 Å²	115.5	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-65.2	-19.5	176.6	-65.8	0	0	0	0	113.9	C183	C183-S187 PolarHBondContact O-N 3.46Å; C183-S187 VanDerWaalsContact O-N 3.07Å; C183-S187 PolarHBondContact O-OG 2.85Å
188	K	51.8	Low	53.1	Low	173 Å²	173	117.4 Å²	117.4	75%	0.752	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-11.9	171.9	-79.8	-162.2	175.6	-170	0	114.5	I184 G185 I186	I184-K188 PolarHBondContact O-N 3.05Å; G185-K188 PolarHBondContact O-N 3.3Å; I186-K188 PolarHBondContact O-N 2.97Å
189	Y	50.8	Low	53.2	Low	212 Å²	212	118.7 Å²	118.7	83%	0.831	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-4.9	179.5	-97.9	-86.8	0	0	0	113.7	I186	I186-Y189 PolarHBondContact O-N 3.11Å
190	I	48.6	Very low	53.2	Low	136 Å²	136	120.9 Å²	120.9	70%	0.697	63%	0.626	S	S	*	*			trans	-107.2	5.9	-179.2	-63.2	175.7	0	0	0	111.9	I186	I186-I190 HydrophobicContact CG2-CD1 3.57Å; I186-I190 HydrophobicContact CG2-CG1 4.37Å; I186-I190 PolarHBondContact O-N 3.27Å
191	L	39.5	Very low	53.2	Low	226 Å²	226	123.1 Å²	123.1	100%	1.183	64%	0.637	S	S	*	*			trans	-95.5	0	169.7	-135.7	98.8	0	0	0	111.6

Retrieved 191 of 191 residues in 334.4 ms (Link to these results)

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