A0A5K4F8I2_SCHMA Loading...

acylphosphatase

AlphaFold DB , UniProt , Accession A0A5K4F8I2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A5K4F8I2_SCHMA|A0A5K4F8I2
MAGNQDDLSGCSFEVHGKVQGVFFRKYAAEFAKVNGLVGWIMNTESGTVVGEFEGPSVGVDAFKHWLCNIGSPKSQIDRCQFKNERRISQLHFQSFNIRR
					

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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	49.3	Very low	80.4	Confident	229 Å²	229	72.9 Å²	72.9	100%	1.128	42%	0.416	S	S	*	.				0	129.1	0	-59.5	-177.2	-160.9	0	0	105.5	G3	M1-G3 PolarHBondContact O-N 3.16Å
2	A	60.4	Low	81.9	Confident	108 Å²	108	67.9 Å²	67.9	89%	0.893	39%	0.389	S	S	*	.			trans	-77.6	112.3	174.8	0	0	0	0	0	107.3
3	G	59.5	Low	83.2	Confident	22 Å²	22	63.4 Å²	63.4	23%	0.227	36%	0.362	C	S	.	.			trans	-56.5	146.8	175.9	0	0	0	0	0	112.1	M1 V58 D61	M1-G3 PolarHBondContact O-N 3.16Å; G3-V58 WeakPolarHBondContact O-CG2 3.22Å; G3-D61 PolarHBondContact N-OD2 3.38Å
4	N	70.8	Confident	84.4	Confident	81 Å²	81	62.1 Å²	62.1	43%	0.433	35%	0.352	S	S	.	.			trans	-82.1	146.1	168.9	-170.3	-6.3	0	0	0	109.7	D6 D7	N4-D6 PolarHBondContact O-N 3.16Å; N4-D6 PolarHBondContact OD1-N 3.04Å; N4-D7 HydrophobicContact CB-CB 4.15Å; N4-D7 WeakPolarHBondContact CB-OD2 3.41Å; N4-D7 PolarHBondContact O-N 2.94Å
5	Q	73.8	Confident	85.3	Confident	116 Å²	116	58 Å²	58	54%	0.542	33%	0.328	S	S	.	.	S	Bend	trans	-65.2	-27.8	175.9	-172.2	61.5	60.8	0	0	112.2
6	D	82.9	Confident	86.2	Confident	136 Å²	136	56.6 Å²	56.6	73%	0.727	32%	0.318	S	S	*	.	S	Bend	trans	-84.2	-20	179.3	-60.1	-35.3	0	0	0	113.1	N4	N4-D6 PolarHBondContact O-N 3.16Å; N4-D6 PolarHBondContact OD1-N 3.04Å
7	D	94.5	Very high	86.9	Confident	48 Å²	48	54.6 Å²	54.6	26%	0.257	31%	0.314	S	S	.	.			trans	-83.2	121.5	-178.6	-77.2	-32.1	0	0	0	111.2	N4 P56 S57 R87	N4-D7 HydrophobicContact CB-CB 4.15Å; N4-D7 WeakPolarHBondContact CB-OD2 3.41Å; N4-D7 PolarHBondContact O-N 2.94Å; D7-P56 CarbonylContact O-C 3.58Å; D7-P56 WeakPolarHBondContact O-CA 3.21Å; D7-S57 WeakPolarHBondContact CB-OG 3.43Å; D7-S57 PolarHBondContact O-N 2.86Å; D7-S57 PolarHBondContact O-OG 3.26Å; D7-R87 IonicContact OD1-CZ 3.33Å; D7-R87 IonicContact OD1-NE 3.47Å; D7-R87 PolarHBondContact OD1-NE 3.25Å; D7-R87 IonicContact OD1-NH2 2.65Å; D7-R87 PolarHBondContact OD1-NH2 3.23Å
8	L	98	Very high	87.5	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.6	172.9	-61	178.7	0	0	0	111.6	G55 P56 R87 I88 L91	L8-G55 WeakPolarHBondContact CA-O 3.22Å; L8-P56 HydrophobicContact CD2-CG 4.46Å; L8-R87 WeakPolarHBondContact O-CG 3.49Å; L8-I88 HydrophobicContact CB-CD1 4.29Å; L8-I88 HydrophobicContact CB-CG1 3.65Å; L8-I88 PolarHBondContact O-N 3.26Å; L8-L91 HydrophobicContact CD1-CD2 4.19Å; L8-L91 HydrophobicContact CD1-CG 4.27Å; L8-L91 HydrophobicContact CD2-CD2 4.1Å
9	S	98.3	Very high	88.1	Confident	18 Å²	18	54.9 Å²	54.9	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.1	172.7	55.7	0	0	0	0	111.6	E54 G55 S57 V60 R86	S9-E54 CarbonylContact O-C 3.57Å; S9-E54 VanDerWaalsContact O-CA 3.26Å; S9-E54 WeakPolarHBondContact O-CA 3.32Å; S9-G55 PolarHBondContact N-O 2.83Å; S9-G55 PolarHBondContact O-N 2.71Å; S9-S57 PolarHBondContact OG-OG 3.07Å; S9-V60 WeakPolarHBondContact OG-CG2 3.46Å; S9-R86 CarbonylContact C-O 3.55Å; S9-R86 VanDerWaalsContact CA-O 3.22Å; S9-R86 WeakPolarHBondContact CA-O 3.38Å; S9-R86 WeakPolarHBondContact CB-O 3.43Å
10	G	98.4	Very high	88.7	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.7	178.8	0	0	0	0	0	111.9	F53 E85 R86	G10-F53 CarbonylContact C-O 3.52Å; G10-F53 VanDerWaalsContact CA-O 3.26Å; G10-F53 WeakPolarHBondContact CA-O 3.32Å; G10-E85 WeakPolarHBondContact O-CA 3.42Å; G10-R86 PolarHBondContact N-O 2.72Å; G10-R86 PolarHBondContact O-N 3.4Å
11	C	98.6	Very high	89.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.9	-176.8	-174.9	0	0	0	0	110.9	E52 F53 F82 E85	C11-E52 CarbonylContact O-C 3.55Å; C11-E52 VanDerWaalsContact O-CA 3.32Å; C11-E52 WeakPolarHBondContact O-CA 3.38Å; C11-F53 HydrophobicContact CB-CD1 4.37Å; C11-F53 HydrophobicContact CB-CE1 3.81Å; C11-F53 HydrophobicContact CB-CE2 4.06Å; C11-F53 HydrophobicContact CB-CZ 3.65Å; C11-F53 PolarHBondContact N-O 3.46Å; C11-F53 WeakPolarHBondContact O-CD1 3.34Å; C11-F53 PolarHBondContact O-N 3.41Å; C11-F82 VanDerWaalsContact SG-CD1 3.51Å; C11-E85 HydrophobicContact CB-CG 4.26Å; C11-E85 VanDerWaalsContact SG-CG 3.56Å
12	S	98.9	Very high	91.4	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.8	164.8	-48.5	0	0	0	0	109.4	G51 E52 F82 K83 N84	S12-G51 CarbonylContact C-O 3.55Å; S12-G51 WeakPolarHBondContact CA-O 3.45Å; S12-E52 PolarHBondContact OG-OE1 3.48Å; S12-F82 CarbonylContact O-C 3.59Å; S12-F82 WeakPolarHBondContact O-CA 3.44Å; S12-K83 PolarHBondContact N-O 2.84Å; S12-K83 PolarHBondContact O-N 2.94Å; S12-N84 PolarHBondContact OG-ND2 3.18Å; S12-N84 VanDerWaalsContact OG-ND2 3.08Å
13	F	98.9	Very high	93.2	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.4	-179.2	70.4	-85.7	0	0	0	113.8	V15 I41 V49 V50 G51 F53 F63 L67 Q81 F82	F13-V15 HydrophobicContact CD2-CG2 3.83Å; F13-V15 HydrophobicContact CE2-CG2 4.16Å; F13-I41 HydrophobicContact CE2-CD1 4.04Å; F13-I41 HydrophobicContact CE2-CG1 4.25Å; F13-I41 HydrophobicContact CZ-CB 4.33Å; F13-I41 HydrophobicContact CZ-CD1 3.67Å; F13-I41 HydrophobicContact CZ-CG1 3.74Å; F13-V49 HydrophobicContact CE2-CG1 4.3Å; F13-V50 VanDerWaalsContact O-CA 3.28Å; F13-V50 WeakPolarHBondContact O-CA 3.28Å; F13-G51 VanDerWaalsContact CD1-O 3.31Å; F13-G51 WeakPolarHBondContact CD1-O 3.24Å; F13-G51 VanDerWaalsContact CE1-C 3.43Å; F13-G51 PolarHBondContact N-O 2.84Å; F13-G51 PolarHBondContact O-N 2.87Å; F13-G51 VanDerWaalsContact O-N 3.12Å; F13-F53 HydrophobicContact CB-CE1 4.27Å; F13-F53 AromaticContact CD1-CD1 3.47Å; F13-F53 HydrophobicContact CD1-CD1 3.47Å; F13-F53 VanDerWaalsContact CD1-CD1 3.47Å; F13-F53 AromaticContact CD1-CE1 3.53Å; F13-F53 HydrophobicContact CD1-CE1 3.53Å; F13-F53 AromaticContact CE1-CD1 3.78Å; F13-F53 HydrophobicContact CE1-CD1 3.78Å; F13-F53 HydrophobicContact CE1-CE1 4.21Å; F13-F53 HydrophobicContact CG-CE1 4.22Å; F13-F63 HydrophobicContact CE1-CE1 4.33Å; F13-L67 HydrophobicContact CB-CD1 4.41Å; F13-L67 HydrophobicContact CD1-CD1 4.13Å; F13-L67 HydrophobicContact CD2-CD1 3.97Å; F13-L67 HydrophobicContact CD2-CD2 4.22Å; F13-L67 HydrophobicContact CE1-CD1 4.34Å; F13-L67 HydrophobicContact CE2-CD1 4.21Å; F13-L67 HydrophobicContact CE2-CD2 3.84Å; F13-L67 HydrophobicContact CG-CD1 3.91Å; F13-L67 HydrophobicContact CZ-CD1 4.37Å; F13-L67 HydrophobicContact CZ-CD2 4.21Å; F13-Q81 CarbonylContact C-O 3.58Å; F13-Q81 WeakPolarHBondContact CA-O 3.48Å; F13-Q81 WeakPolarHBondContact CB-O 3.26Å; F13-F82 HydrophobicContact CB-CD1 3.67Å; F13-F82 HydrophobicContact CB-CE1 3.73Å
14	E	98.8	Very high	95.1	Very high	46 Å²	46	47.1 Å²	47.1	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.1	168.7	-176.2	171.1	178.6	0	0	109.6	H16 T48 V49 V50 Q81	E14-H16 IonicContact OE1-CE1 3.16Å; E14-H16 PolarHBondContact OE1-CE1 3.47Å; E14-H16 IonicContact OE1-NE2 3.7Å; E14-T48 PolarHBondContact OE1-OG1 3.19Å; E14-V49 CarbonylContact C-O 3.53Å; E14-V49 WeakPolarHBondContact CA-O 3.49Å; E14-V50 HydrophobicContact CB-CG1 3.87Å; E14-V50 HydrophobicContact CG-CG1 3.65Å; E14-Q81 PolarHBondContact N-O 2.95Å; E14-Q81 PolarHBondContact O-N 2.96Å
15	V	98.9	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.9	177.4	-166.7	0	0	0	0	109.5	F13 V19 F24 T48 V49 L67 I77	F13-V15 HydrophobicContact CD2-CG2 3.83Å; F13-V15 HydrophobicContact CE2-CG2 4.16Å; V15-V19 HydrophobicContact CG1-CG1 3.89Å; V15-F24 HydrophobicContact CG1-CZ 4.14Å; V15-F24 HydrophobicContact CG2-CE1 4.34Å; V15-F24 HydrophobicContact CG2-CZ 4.33Å; V15-T48 WeakPolarHBondContact O-CA 3.43Å; V15-T48 VanDerWaalsContact O-CB 3.32Å; V15-T48 WeakPolarHBondContact O-CB 3.14Å; V15-V49 PolarHBondContact N-O 3.36Å; V15-V49 PolarHBondContact O-N 3.22Å; V15-L67 HydrophobicContact CG2-CB 4.38Å; V15-L67 HydrophobicContact CG2-CD2 4.14Å; V15-I77 HydrophobicContact CG1-CB 4.44Å; V15-I77 HydrophobicContact CG1-CG1 4.08Å; V15-I77 HydrophobicContact CG1-CG2 3.73Å
16	H	98.8	Very high	97.6	Very high	35 Å²	35	45.8 Å²	45.8	16%	0.162	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	151.2	176.5	-54.9	-95.2	0	0	0	111	E14 T48 D78 R79 Q81	E14-H16 IonicContact OE1-CE1 3.16Å; E14-H16 PolarHBondContact OE1-CE1 3.47Å; E14-H16 IonicContact OE1-NE2 3.7Å; H16-T48 WeakPolarHBondContact ND1-CG2 3.41Å; H16-D78 PolarHBondContact O-N 3.45Å; H16-R79 HydrophobicContact CB-CB 4.22Å; H16-R79 PolarHBondContact CD2-NE 3.49Å; H16-R79 PolarHBondContact CE1-NH2 2.91Å; H16-R79 PolarHBondContact N-O 3.46Å; H16-R79 PolarHBondContact NE2-NH2 3.18Å; H16-R79 VanDerWaalsContact NE2-NH2 3.16Å; H16-R79 PolarHBondContact O-N 2.77Å; H16-Q81 PolarHBondContact NE2-NE2 2.95Å
17	G	98.5	Very high	98.4	Very high	24 Å²	24	44 Å²	44	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.1	-154.2	174.9	0	0	0	0	0	111.8	V19 Q76 D78	G17-V19 VanDerWaalsContact C-N 3.26Å; G17-V19 PolarHBondContact O-N 2.79Å; G17-Q76 CarbonylContact C-O 3.46Å; G17-Q76 WeakPolarHBondContact CA-O 2.98Å; G17-D78 WeakPolarHBondContact CA-OD2 3.33Å
18	K	98.6	Very high	98.6	Very high	113 Å²	113	41.8 Å²	41.8	49%	0.491	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	78.7	172.3	-169.8	-174.7	-178.7	177.2	0	109.7	V22 S75 Q76	K18-V22 HydrophobicContact CD-CG1 4.38Å; K18-V22 HydrophobicContact CG-CG1 4.13Å; K18-S75 WeakPolarHBondContact O-CA 3.39Å; K18-S75 VanDerWaalsContact O-CB 3.28Å; K18-S75 WeakPolarHBondContact O-CB 3.5Å; K18-Q76 HydrophobicContact CB-CB 3.98Å; K18-Q76 HydrophobicContact CB-CG 4.49Å; K18-Q76 PolarHBondContact N-O 3.35Å; K18-Q76 PolarHBondContact O-N 2.87Å; K18-Q76 VanDerWaalsContact O-N 3.07Å
19	V	98.7	Very high	98.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.21	C	C	.	.			trans	-118.4	-11.4	-175.5	-65.3	0	0	0	0	114	V15 G17 V22 F24 V49	V15-V19 HydrophobicContact CG1-CG1 3.89Å; G17-V19 VanDerWaalsContact C-N 3.26Å; G17-V19 PolarHBondContact O-N 2.79Å; V19-V22 WeakPolarHBondContact O-CG2 3.41Å; V19-F24 HydrophobicContact CB-CB 4.47Å; V19-F24 HydrophobicContact CB-CD2 4.2Å; V19-F24 HydrophobicContact CB-CG 4.22Å; V19-F24 HydrophobicContact CG1-CD2 4Å; V19-F24 HydrophobicContact CG1-CE2 4.01Å; V19-F24 HydrophobicContact CG1-CG 4.46Å; V19-F24 WeakPolarHBondContact O-CB 3.49Å; V19-V49 HydrophobicContact CB-CG2 3.92Å; V19-V49 HydrophobicContact CG2-CB 4.25Å; V19-V49 HydrophobicContact CG2-CG2 3.7Å
20	Q	98.6	Very high	98.7	Very high	66 Å²	66	43.8 Å²	43.8	31%	0.308	23%	0.225	S	C	.	.	S	Bend	trans	-101.4	153.2	172.1	-58.5	-165.2	16.6	0	0	111.7	V22 N43 T44 G47 T48 V49	Q20-V22 PolarHBondContact O-N 3.45Å; Q20-N43 VanDerWaalsContact CD-CG 3.48Å; Q20-N43 VanDerWaalsContact CD-ND2 3.33Å; Q20-N43 HydrophobicContact CG-CB 4.41Å; Q20-N43 PolarHBondContact OE1-ND2 3.07Å; Q20-T44 PolarHBondContact NE2-O 2.92Å; Q20-G47 VanDerWaalsContact NE2-CA 3.28Å; Q20-G47 PolarHBondContact NE2-O 3.49Å; Q20-T48 PolarHBondContact NE2-O 2.83Å; Q20-V49 HydrophobicContact CG-CG2 4.45Å
21	G	98.1	Very high	98.7	Very high	82 Å²	82	46.3 Å²	46.3	85%	0.845	24%	0.236	S	C	*	.	S	Bend	trans	69.8	6.6	-176.6	0	0	0	0	0	115.1
22	V	98.5	Very high	98.7	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	24%	0.235	C	C	.	.	S	Bend	trans	-123.4	20.2	-174.2	-63.2	0	0	0	0	112.9	K18 V19 Q20 F24 S72 K74	K18-V22 HydrophobicContact CD-CG1 4.38Å; K18-V22 HydrophobicContact CG-CG1 4.13Å; V19-V22 WeakPolarHBondContact O-CG2 3.41Å; Q20-V22 PolarHBondContact O-N 3.45Å; V22-F24 HydrophobicContact CG2-CB 4.24Å; V22-F24 PolarHBondContact O-N 2.94Å; V22-F24 VanDerWaalsContact O-N 3.14Å; V22-S72 WeakPolarHBondContact O-CB 3.33Å; V22-S72 PolarHBondContact O-OG 3.05Å; V22-K74 HydrophobicContact CB-CB 4.03Å; V22-K74 HydrophobicContact CG1-CB 3.98Å; V22-K74 WeakPolarHBondContact CG1-O 3.37Å
23	F	98.2	Very high	98.7	Very high	146 Å²	146	51.4 Å²	51.4	64%	0.64	26%	0.256	S	S	*	.			trans	59.3	18.8	-178.3	-59.1	-81.6	0	0	0	115.6	R25 K26 Y27	F23-R25 VanDerWaalsContact C-N 3.31Å; F23-R25 PolarHBondContact O-N 3.04Å; F23-K26 HydrophobicContact CB-CB 4.41Å; F23-K26 WeakPolarHBondContact O-CB 3.41Å; F23-K26 PolarHBondContact O-N 3.39Å; F23-Y27 HydrophobicContact CB-CD2 4.02Å; F23-Y27 HydrophobicContact CB-CE2 4.12Å; F23-Y27 PolarHBondContact O-N 3.01Å
24	F	98.8	Very high	98.7	Very high	2 Å²	2	57 Å²	57	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-51.6	-48.7	-177.7	-163.5	-85.8	0	0	0	112.4	V15 V19 V22 K26 Y27 A28 I41 V49 W66 L67 I77	V15-F24 HydrophobicContact CG1-CZ 4.14Å; V15-F24 HydrophobicContact CG2-CE1 4.34Å; V15-F24 HydrophobicContact CG2-CZ 4.33Å; V19-F24 HydrophobicContact CB-CB 4.47Å; V19-F24 HydrophobicContact CB-CD2 4.2Å; V19-F24 HydrophobicContact CB-CG 4.22Å; V19-F24 HydrophobicContact CG1-CD2 4Å; V19-F24 HydrophobicContact CG1-CE2 4.01Å; V19-F24 HydrophobicContact CG1-CG 4.46Å; V19-F24 WeakPolarHBondContact O-CB 3.49Å; V22-F24 HydrophobicContact CG2-CB 4.24Å; V22-F24 PolarHBondContact O-N 2.94Å; V22-F24 VanDerWaalsContact O-N 3.14Å; F24-K26 VanDerWaalsContact C-N 3.29Å; F24-K26 PolarHBondContact O-N 2.95Å; F24-Y27 PolarHBondContact O-N 2.8Å; F24-A28 HydrophobicContact CD1-CB 4.43Å; F24-A28 VanDerWaalsContact O-CB 3.22Å; F24-A28 WeakPolarHBondContact O-CB 3.18Å; F24-A28 PolarHBondContact O-N 2.74Å; F24-I41 HydrophobicContact CD1-CD1 4.48Å; F24-V49 HydrophobicContact CD1-CB 4.45Å; F24-V49 HydrophobicContact CD1-CG1 4.16Å; F24-V49 HydrophobicContact CD1-CG2 4.36Å; F24-V49 HydrophobicContact CE1-CG1 4.48Å; F24-W66 HydrophobicContact CE1-CZ3 4.01Å; F24-W66 HydrophobicContact CE2-CZ3 4.42Å; F24-W66 HydrophobicContact CZ-CH2 4.46Å; F24-W66 AromaticContact CZ-CZ3 3.91Å; F24-W66 HydrophobicContact CZ-CZ3 3.91Å; F24-L67 HydrophobicContact CE1-CD2 3.88Å; F24-L67 HydrophobicContact CZ-CD2 4.21Å; F24-I77 HydrophobicContact CE2-CD1 4.11Å; F24-I77 HydrophobicContact CE2-CG1 4.06Å; F24-I77 HydrophobicContact CZ-CD1 4.47Å
25	R	98.7	Very high	98.6	Very high	57 Å²	57	57.1 Å²	57.1	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-36.7	177.7	-63.4	-169.9	-70	179.7	-14.6	114	F23 A29 I41 N43 V49 I98 R99 R100	F23-R25 VanDerWaalsContact C-N 3.31Å; F23-R25 PolarHBondContact O-N 3.04Å; R25-A29 WeakPolarHBondContact O-CB 3.08Å; R25-A29 PolarHBondContact O-N 2.97Å; R25-A29 VanDerWaalsContact O-N 3.07Å; R25-I41 HydrophobicContact CB-CG2 4.05Å; R25-I41 HydrophobicContact CG-CD1 4.33Å; R25-I41 HydrophobicContact CG-CG1 4.16Å; R25-I41 HydrophobicContact CG-CG2 4.25Å; R25-N43 VanDerWaalsContact CD-OD1 3.23Å; R25-N43 WeakPolarHBondContact CD-OD1 3.1Å; R25-N43 PolarHBondContact NE-OD1 2.93Å; R25-N43 VanDerWaalsContact NE-OD1 3.11Å; R25-N43 PolarHBondContact NH2-ND2 3.21Å; R25-V49 HydrophobicContact CG-CG1 4.3Å; R25-I98 HydrophobicContact CB-CD1 4.27Å; R25-I98 HydrophobicContact CB-CG1 4.38Å; R25-I98 HydrophobicContact CB-CG2 4.03Å; R25-I98 WeakPolarHBondContact O-CD1 3.23Å; R25-R99 PolarHBondContact NH1-O 2.9Å; R25-R100 PolarHBondContact NH1-OXT 2.95Å
26	K	98.7	Very high	98.6	Very high	111 Å²	111	59.2 Å²	59.2	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-68.1	-54.4	179.4	-178.7	-178.9	173.2	-176.9	0	110.8	F23 F24 A28 A29 E30	F23-K26 HydrophobicContact CB-CB 4.41Å; F23-K26 WeakPolarHBondContact O-CB 3.41Å; F23-K26 PolarHBondContact O-N 3.39Å; F24-K26 VanDerWaalsContact C-N 3.29Å; F24-K26 PolarHBondContact O-N 2.95Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 2.85Å; K26-A29 PolarHBondContact O-N 3.29Å; K26-E30 WeakPolarHBondContact CE-OE1 3.15Å; K26-E30 WeakPolarHBondContact O-CG 3.19Å; K26-E30 PolarHBondContact O-N 3.14Å
27	Y	98.8	Very high	98.6	Very high	100 Å²	100	57.8 Å²	57.8	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-38.8	179.4	-80.1	-92.8	0	0	0	112	F23 F24 E30 F31 P73	F23-Y27 HydrophobicContact CB-CD2 4.02Å; F23-Y27 HydrophobicContact CB-CE2 4.12Å; F23-Y27 PolarHBondContact O-N 3.01Å; F24-Y27 PolarHBondContact O-N 2.8Å; Y27-E30 PolarHBondContact O-N 3.11Å; Y27-F31 WeakPolarHBondContact O-CB 3.37Å; Y27-F31 PolarHBondContact O-N 3.47Å; Y27-P73 HydrophobicContact CE1-CG 4.23Å
28	A	98.9	Very high	98.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.1	0	0	0	0	0	111.6	F24 K26 F31 A32 I41 F63 W66	F24-A28 HydrophobicContact CD1-CB 4.43Å; F24-A28 VanDerWaalsContact O-CB 3.22Å; F24-A28 WeakPolarHBondContact O-CB 3.18Å; F24-A28 PolarHBondContact O-N 2.74Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 2.85Å; A28-F31 PolarHBondContact O-N 2.06Å; A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 3.2Å; A28-I41 HydrophobicContact CB-CD1 3.61Å; A28-F63 HydrophobicContact CB-CE2 4.11Å; A28-F63 HydrophobicContact CB-CZ 4.17Å; A28-F63 WeakPolarHBondContact O-CE2 3.4Å; A28-W66 HydrophobicContact CB-CE3 4.48Å; A28-W66 HydrophobicContact CB-CH2 3.9Å; A28-W66 HydrophobicContact CB-CZ3 3.57Å
29	A	98.9	Very high	98.6	Very high	6 Å²	6	52 Å²	52	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-37.2	178.1	0	0	0	0	0	112.7	R25 K26 K33 F96 I98	R25-A29 WeakPolarHBondContact O-CB 3.08Å; R25-A29 PolarHBondContact O-N 2.97Å; R25-A29 VanDerWaalsContact O-N 3.07Å; K26-A29 PolarHBondContact O-N 3.29Å; A29-K33 WeakPolarHBondContact O-CB 2.94Å; A29-K33 VanDerWaalsContact O-CG 3.24Å; A29-K33 WeakPolarHBondContact O-CG 3.41Å; A29-K33 PolarHBondContact O-N 2.66Å; A29-K33 VanDerWaalsContact O-N 3.13Å; A29-F96 HydrophobicContact CB-CD1 3.81Å; A29-F96 HydrophobicContact CB-CE1 4.22Å; A29-I98 HydrophobicContact CB-CD1 4.05Å; A29-I98 HydrophobicContact CB-CG1 3.86Å
30	E	98.8	Very high	98.6	Very high	94 Å²	94	53.4 Å²	53.4	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-49.9	173.8	-73.3	171.2	-179	0	0	111	K26 Y27 A32 K33 V34	K26-E30 WeakPolarHBondContact CE-OE1 3.15Å; K26-E30 WeakPolarHBondContact O-CG 3.19Å; K26-E30 PolarHBondContact O-N 3.14Å; Y27-E30 PolarHBondContact O-N 3.11Å; E30-A32 PolarHBondContact O-N 2.98Å; E30-K33 PolarHBondContact O-N 3.12Å; E30-V34 WeakPolarHBondContact O-CG2 3.38Å; E30-V34 PolarHBondContact O-N 3.31Å
31	F	98.8	Very high	98.6	Very high	56 Å²	56	50.3 Å²	50.3	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-45.6	178.3	-169.8	-82.1	0	0	0	111.8	Y27 A28 K33 V34 N35 A62 F63 W66	Y27-F31 WeakPolarHBondContact O-CB 3.37Å; Y27-F31 PolarHBondContact O-N 3.47Å; A28-F31 PolarHBondContact O-N 2.06Å; F31-K33 PolarHBondContact O-N 3.23Å; F31-V34 PolarHBondContact O-N 2.96Å; F31-N35 VanDerWaalsContact CD1-ND2 3.31Å; F31-N35 WeakPolarHBondContact CD1-ND2 3.2Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.49Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.39Å; F31-N35 PolarHBondContact O-N 3.01Å; F31-N35 PolarHBondContact O-ND2 3.24Å; F31-A62 HydrophobicContact CE1-CB 4.28Å; F31-A62 HydrophobicContact CZ-CB 4.43Å; F31-F63 HydrophobicContact CD1-CB 4.47Å; F31-F63 AromaticContact CD1-CD2 3.69Å; F31-F63 HydrophobicContact CD1-CD2 3.69Å; F31-F63 HydrophobicContact CD1-CE2 4.47Å; F31-F63 HydrophobicContact CE1-CB 4.4Å; F31-F63 HydrophobicContact CE1-CD2 4.33Å; F31-W66 HydrophobicContact CB-CD2 4.37Å; F31-W66 HydrophobicContact CD1-CB 4Å; F31-W66 HydrophobicContact CD1-CD2 4.47Å; F31-W66 AromaticContact CD1-CG 3.95Å; F31-W66 HydrophobicContact CD1-CG 3.95Å; F31-W66 HydrophobicContact CD2-CB 4.46Å; F31-W66 AromaticContact CD2-CD1 3.26Å; F31-W66 HydrophobicContact CD2-CD2 4.4Å; F31-W66 AromaticContact CD2-CG 3.81Å; F31-W66 HydrophobicContact CD2-CG 3.81Å; F31-W66 AromaticContact CD2-NE1 3.58Å; F31-W66 HydrophobicContact CE1-CB 3.7Å; F31-W66 HydrophobicContact CE1-CG 4.04Å; F31-W66 HydrophobicContact CE2-CB 4.2Å; F31-W66 AromaticContact CE2-CD1 3.32Å; F31-W66 AromaticContact CE2-CG 3.91Å; F31-W66 HydrophobicContact CE2-CG 3.91Å; F31-W66 HydrophobicContact CG-CB 4.36Å; F31-W66 AromaticContact CG-CD1 3.74Å; F31-W66 HydrophobicContact CG-CD2 4.15Å; F31-W66 AromaticContact CG-CG 3.82Å; F31-W66 HydrophobicContact CG-CG 3.82Å; F31-W66 HydrophobicContact CZ-CB 3.81Å; F31-W66 AromaticContact CZ-CD1 3.85Å; F31-W66 HydrophobicContact CZ-CG 4.02Å
32	A	98.9	Very high	98.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-46.6	178.8	0	0	0	0	0	111.6	A28 E30 V34 N35 G36 L37 F63 F96	A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 3.2Å; E30-A32 PolarHBondContact O-N 2.98Å; A32-V34 PolarHBondContact O-N 2.86Å; A32-N35 CarbonylContact O-C 3.44Å; A32-N35 PolarHBondContact O-N 2.94Å; A32-G36 PolarHBondContact O-N 2.87Å; A32-L37 HydrophobicContact CB-CB 4.05Å; A32-L37 HydrophobicContact CB-CD1 4.34Å; A32-L37 WeakPolarHBondContact O-CB 3.38Å; A32-L37 PolarHBondContact O-N 3.18Å; A32-F63 HydrophobicContact CB-CD2 4.38Å; A32-F63 HydrophobicContact CB-CE1 4.26Å; A32-F63 HydrophobicContact CB-CE2 4.06Å; A32-F63 HydrophobicContact CB-CZ 3.99Å; A32-F96 HydrophobicContact CB-CB 4.35Å; A32-F96 HydrophobicContact CB-CD1 4.14Å; A32-F96 HydrophobicContact CB-CD2 3.36Å; A32-F96 HydrophobicContact CB-CE1 4.27Å; A32-F96 HydrophobicContact CB-CE2 3.49Å; A32-F96 VanDerWaalsContact CB-CE2 3.49Å; A32-F96 HydrophobicContact CB-CG 3.69Å; A32-F96 HydrophobicContact CB-CZ 3.97Å
33	K	98.7	Very high	98.7	Very high	122 Å²	122	50.3 Å²	50.3	53%	0.53	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-43.2	178	-73	173	-175.6	-178.6	0	112.6	A29 E30 F31 N35 G36 F96	A29-K33 WeakPolarHBondContact O-CB 2.94Å; A29-K33 VanDerWaalsContact O-CG 3.24Å; A29-K33 WeakPolarHBondContact O-CG 3.41Å; A29-K33 PolarHBondContact O-N 2.66Å; A29-K33 VanDerWaalsContact O-N 3.13Å; E30-K33 PolarHBondContact O-N 3.12Å; F31-K33 PolarHBondContact O-N 3.23Å; K33-N35 PolarHBondContact O-N 3.26Å; K33-G36 PolarHBondContact O-N 3.36Å; K33-G36 VanDerWaalsContact O-N 3.11Å; K33-F96 WeakPolarHBondContact CE-O 3.5Å; K33-F96 HydrophobicContact CG-CB 3.96Å; K33-F96 PolarHBondContact NZ-O 3.47Å
34	V	98.4	Very high	98.7	Very high	127 Å²	127	44.8 Å²	44.8	77%	0.77	23%	0.226	S	C	*	.	H	α-helix	trans	-61.1	-32.9	176.8	169.3	0	0	0	0	111.4	E30 F31 A32 G36	E30-V34 WeakPolarHBondContact O-CG2 3.38Å; E30-V34 PolarHBondContact O-N 3.31Å; F31-V34 PolarHBondContact O-N 2.96Å; A32-V34 PolarHBondContact O-N 2.86Å; V34-G36 VanDerWaalsContact C-N 3.31Å; V34-G36 PolarHBondContact O-N 2.85Å
35	N	98	Very high	98.6	Very high	48 Å²	48	54.7 Å²	54.7	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	17.4	178.6	-71.2	-90.8	0	0	0	113.4	F31 A32 K33 L37	F31-N35 VanDerWaalsContact CD1-ND2 3.31Å; F31-N35 WeakPolarHBondContact CD1-ND2 3.2Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.49Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.39Å; F31-N35 PolarHBondContact O-N 3.01Å; F31-N35 PolarHBondContact O-ND2 3.24Å; A32-N35 CarbonylContact O-C 3.44Å; A32-N35 PolarHBondContact O-N 2.94Å; K33-N35 PolarHBondContact O-N 3.26Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 2.98Å
36	G	97.5	Very high	98.5	Very high	44 Å²	44	56.4 Å²	56.4	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.4	174.3	0	0	0	0	0	114.7	A32 K33 V34 P56	A32-G36 PolarHBondContact O-N 2.87Å; K33-G36 PolarHBondContact O-N 3.36Å; K33-G36 VanDerWaalsContact O-N 3.11Å; V34-G36 VanDerWaalsContact C-N 3.31Å; V34-G36 PolarHBondContact O-N 2.85Å; G36-P56 WeakPolarHBondContact O-CD 3.48Å
37	L	98.8	Very high	98.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	29%	0.286	C	S	.	.			trans	-93.9	148.2	179.9	-55.8	-176	0	0	0	112.4	A32 N35 F53 E54 V60 F63 F96	A32-L37 HydrophobicContact CB-CB 4.05Å; A32-L37 HydrophobicContact CB-CD1 4.34Å; A32-L37 WeakPolarHBondContact O-CB 3.38Å; A32-L37 PolarHBondContact O-N 3.18Å; N35-L37 VanDerWaalsContact C-N 3.29Å; N35-L37 PolarHBondContact O-N 2.98Å; L37-F53 HydrophobicContact CD1-CD2 3.85Å; L37-F53 HydrophobicContact CD1-CE2 4.48Å; L37-E54 WeakPolarHBondContact CA-O 3.31Å; L37-V60 HydrophobicContact CD2-CG2 3.89Å; L37-F63 HydrophobicContact CD1-CB 3.3Å; L37-F63 HydrophobicContact CD1-CD1 3.52Å; L37-F63 HydrophobicContact CD1-CE1 4.46Å; L37-F63 HydrophobicContact CD1-CG 3.59Å; L37-F96 HydrophobicContact CB-CD2 4.42Å
38	V	98.8	Very high	98.5	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	161.3	172	-61.6	0	0	0	0	109.4	F53 E54 L91 F93	V38-F53 CarbonylContact O-C 3.57Å; V38-F53 VanDerWaalsContact O-CA 3.24Å; V38-F53 WeakPolarHBondContact O-CA 3.45Å; V38-E54 HydrophobicContact CG2-CB 4.03Å; V38-E54 WeakPolarHBondContact CG2-O 3.28Å; V38-E54 PolarHBondContact N-O 3.02Å; V38-E54 PolarHBondContact O-N 3.38Å; V38-L91 HydrophobicContact CG1-CD1 4.35Å; V38-L91 HydrophobicContact CG2-CB 4.18Å; V38-L91 HydrophobicContact CG2-CD1 4.06Å; V38-L91 HydrophobicContact CG2-CD2 3.96Å; V38-L91 HydrophobicContact CG2-CG 4.29Å; V38-F93 HydrophobicContact CB-CB 3.82Å; V38-F93 HydrophobicContact CG2-CB 3.81Å; V38-F93 WeakPolarHBondContact CG2-O 3.46Å
39	G	98.9	Very high	98.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.3	-149.1	-178.3	0	0	0	0	0	113.5	E52 S95 F96 N97	G39-E52 CarbonylContact C-O 3.58Å; G39-E52 VanDerWaalsContact CA-O 3.28Å; G39-E52 WeakPolarHBondContact CA-O 3.49Å; G39-S95 PolarHBondContact N-O 2.77Å; G39-S95 VanDerWaalsContact O-O 3.06Å; G39-F96 WeakPolarHBondContact O-CA 3.04Å; G39-N97 PolarHBondContact O-N 2.86Å
40	W	98.9	Very high	98.5	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.2	-177.4	59.8	-87.2	0	0	0	113.4	M42 V50 G51 E52 F93 N97 R99	W40-M42 HydrophobicContact CE3-CG 4.32Å; W40-M42 HydrophobicContact CE3-SD 4.3Å; W40-M42 HydrophobicContact CH2-SD 4.42Å; W40-M42 HydrophobicContact CZ3-CG 3.79Å; W40-M42 HydrophobicContact CZ3-SD 3.64Å; W40-V50 HydrophobicContact CZ3-CG2 4.35Å; W40-G51 CarbonylContact O-C 3.54Å; W40-G51 WeakPolarHBondContact O-CA 3.3Å; W40-E52 HydrophobicContact CZ2-CB 4.25Å; W40-E52 HydrophobicContact CZ2-CG 3.58Å; W40-E52 PolarHBondContact N-O 2.84Å; W40-E52 PolarHBondContact NE1-OE2 3.08Å; W40-E52 PolarHBondContact O-N 2.84Å; W40-F93 AromaticContact CD1-CE1 3.65Å; W40-F93 AromaticContact CD1-CZ 3.71Å; W40-F93 AromaticContact NE1-CZ 3.79Å; W40-N97 CarbonylContact C-O 3.54Å; W40-N97 WeakPolarHBondContact CA-O 3.28Å; W40-R99 HydrophobicContact CB-CG 4.14Å; W40-R99 VanDerWaalsContact CD1-CZ 3.44Å; W40-R99 VanDerWaalsContact CD2-CZ 3.49Å; W40-R99 VanDerWaalsContact CD2-NH1 3.3Å; W40-R99 VanDerWaalsContact CE2-NH1 3.27Å
41	I	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.3	176	-166.3	168.6	0	0	0	111	F13 F24 R25 A28 V49 V50 F96 N97 I98 R99	F13-I41 HydrophobicContact CE2-CD1 4.04Å; F13-I41 HydrophobicContact CE2-CG1 4.25Å; F13-I41 HydrophobicContact CZ-CB 4.33Å; F13-I41 HydrophobicContact CZ-CD1 3.67Å; F13-I41 HydrophobicContact CZ-CG1 3.74Å; F24-I41 HydrophobicContact CD1-CD1 4.48Å; R25-I41 HydrophobicContact CB-CG2 4.05Å; R25-I41 HydrophobicContact CG-CD1 4.33Å; R25-I41 HydrophobicContact CG-CG1 4.16Å; R25-I41 HydrophobicContact CG-CG2 4.25Å; A28-I41 HydrophobicContact CB-CD1 3.61Å; I41-V49 HydrophobicContact CD1-CG1 3.41Å; I41-V49 VanDerWaalsContact CD1-CG1 3.41Å; I41-V49 HydrophobicContact CG1-CG1 3.37Å; I41-V50 CarbonylContact C-O 3.58Å; I41-V50 WeakPolarHBondContact CA-O 3.31Å; I41-F96 HydrophobicContact CB-CE1 3.9Å; I41-F96 HydrophobicContact CB-CZ 4.3Å; I41-F96 HydrophobicContact CG2-CE1 3.78Å; I41-N97 PolarHBondContact N-O 2.7Å; I41-I98 HydrophobicContact CG2-CB 4.44Å; I41-I98 HydrophobicContact CG2-CG1 3.95Å; I41-R99 PolarHBondContact O-N 2.91Å
42	M	98.8	Very high	98.5	Very high	57 Å²	57	45.2 Å²	45.2	28%	0.281	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	162.9	176.9	70.7	-169.6	-72.9	0	0	112.7	W40 V49 V50 R99	W40-M42 HydrophobicContact CE3-CG 4.32Å; W40-M42 HydrophobicContact CE3-SD 4.3Å; W40-M42 HydrophobicContact CH2-SD 4.42Å; W40-M42 HydrophobicContact CZ3-CG 3.79Å; W40-M42 HydrophobicContact CZ3-SD 3.64Å; M42-V49 WeakPolarHBondContact O-CA 3.22Å; M42-V50 HydrophobicContact CG-CG2 3.62Å; M42-V50 PolarHBondContact N-O 3.11Å; M42-V50 PolarHBondContact O-N 2.93Å; M42-V50 HydrophobicContact SD-CG2 4.39Å; M42-R99 HydrophobicContact CB-CB 4.03Å
43	N	98.7	Very high	98.5	Very high	35 Å²	35	45.2 Å²	45.2	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.2	169.5	-76.9	6.3	0	0	0	109.5	Q20 R25	Q20-N43 VanDerWaalsContact CD-CG 3.48Å; Q20-N43 VanDerWaalsContact CD-ND2 3.33Å; Q20-N43 HydrophobicContact CG-CB 4.41Å; Q20-N43 PolarHBondContact OE1-ND2 3.07Å; R25-N43 VanDerWaalsContact CD-OD1 3.23Å; R25-N43 WeakPolarHBondContact CD-OD1 3.1Å; R25-N43 PolarHBondContact NE-OD1 2.93Å; R25-N43 VanDerWaalsContact NE-OD1 3.11Å; R25-N43 PolarHBondContact NH2-ND2 3.21Å
44	T	98.6	Very high	98.5	Very high	31 Å²	31	39.6 Å²	39.6	19%	0.19	23%	0.233	C	C	.	.			trans	-99.4	160.1	165.8	71.6	0	0	0	0	110.8	Q20 S46 G47 T48 V50	Q20-T44 PolarHBondContact NE2-O 2.92Å; T44-S46 PolarHBondContact O-N 3.42Å; T44-S46 PolarHBondContact OG1-N 2.99Å; T44-S46 PolarHBondContact OG1-OG 3.47Å; T44-G47 PolarHBondContact O-N 3.4Å; T44-T48 WeakPolarHBondContact CG2-OG1 3.47Å; T44-T48 PolarHBondContact N-O 3.23Å; T44-T48 PolarHBondContact OG1-N 2.85Å; T44-T48 PolarHBondContact OG1-O 3.4Å; T44-T48 PolarHBondContact OG1-OG1 3.44Å; T44-V50 HydrophobicContact CG2-CB 4.17Å; T44-V50 HydrophobicContact CG2-CG1 3.52Å; T44-V50 HydrophobicContact CG2-CG2 3.61Å
45	E	97.7	Very high	98.5	Very high	209 Å²	209	33.5 Å²	33.5	98%	0.977	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.7	172.1	-63.1	-177.5	167.8	0	0	112.1	G47	E45-G47 PolarHBondContact O-N 2.9Å
46	S	97	Very high	98.5	Very high	93 Å²	93	32.2 Å²	32.2	65%	0.65	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	6.6	175.4	58.2	0	0	0	0	114.6	T44	T44-S46 PolarHBondContact O-N 3.42Å; T44-S46 PolarHBondContact OG1-N 2.99Å; T44-S46 PolarHBondContact OG1-OG 3.47Å
47	G	98.1	Very high	98.5	Very high	33 Å²	33	30.9 Å²	30.9	34%	0.34	17%	0.174	S	C	.	.	S	Bend	trans	85	4.4	176.3	0	0	0	0	0	115.5	Q20 T44 E45	Q20-G47 VanDerWaalsContact NE2-CA 3.28Å; Q20-G47 PolarHBondContact NE2-O 3.49Å; T44-G47 PolarHBondContact O-N 3.4Å; E45-G47 PolarHBondContact O-N 2.9Å
48	T	98.7	Very high	98.4	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	19%	0.192	C	C	.	.			trans	-94.1	175.2	178.9	74.7	0	0	0	0	111.7	E14 V15 H16 Q20 T44	E14-T48 PolarHBondContact OE1-OG1 3.19Å; V15-T48 WeakPolarHBondContact O-CA 3.43Å; V15-T48 VanDerWaalsContact O-CB 3.32Å; V15-T48 WeakPolarHBondContact O-CB 3.14Å; H16-T48 WeakPolarHBondContact ND1-CG2 3.41Å; Q20-T48 PolarHBondContact NE2-O 2.83Å; T44-T48 WeakPolarHBondContact CG2-OG1 3.47Å; T44-T48 PolarHBondContact N-O 3.23Å; T44-T48 PolarHBondContact OG1-N 2.85Å; T44-T48 PolarHBondContact OG1-O 3.4Å; T44-T48 PolarHBondContact OG1-OG1 3.44Å
49	V	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.9	169.1	173.3	0	0	0	0	108.9	F13 E14 V15 V19 Q20 F24 R25 I41 M42	F13-V49 HydrophobicContact CE2-CG1 4.3Å; E14-V49 CarbonylContact C-O 3.53Å; E14-V49 WeakPolarHBondContact CA-O 3.49Å; V15-V49 PolarHBondContact N-O 3.36Å; V15-V49 PolarHBondContact O-N 3.22Å; V19-V49 HydrophobicContact CB-CG2 3.92Å; V19-V49 HydrophobicContact CG2-CB 4.25Å; V19-V49 HydrophobicContact CG2-CG2 3.7Å; Q20-V49 HydrophobicContact CG-CG2 4.45Å; F24-V49 HydrophobicContact CD1-CB 4.45Å; F24-V49 HydrophobicContact CD1-CG1 4.16Å; F24-V49 HydrophobicContact CD1-CG2 4.36Å; F24-V49 HydrophobicContact CE1-CG1 4.48Å; R25-V49 HydrophobicContact CG-CG1 4.3Å; I41-V49 HydrophobicContact CD1-CG1 3.41Å; I41-V49 VanDerWaalsContact CD1-CG1 3.41Å; I41-V49 HydrophobicContact CG1-CG1 3.37Å; M42-V49 WeakPolarHBondContact O-CA 3.22Å
50	V	98.9	Very high	98.3	Very high	29 Å²	29	33.3 Å²	33.3	18%	0.176	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.6	179.2	-63.6	0	0	0	0	111	F13 E14 W40 I41 M42 T44	F13-V50 VanDerWaalsContact O-CA 3.28Å; F13-V50 WeakPolarHBondContact O-CA 3.28Å; E14-V50 HydrophobicContact CB-CG1 3.87Å; E14-V50 HydrophobicContact CG-CG1 3.65Å; W40-V50 HydrophobicContact CZ3-CG2 4.35Å; I41-V50 CarbonylContact C-O 3.58Å; I41-V50 WeakPolarHBondContact CA-O 3.31Å; M42-V50 HydrophobicContact CG-CG2 3.62Å; M42-V50 PolarHBondContact N-O 3.11Å; M42-V50 PolarHBondContact O-N 2.93Å; M42-V50 HydrophobicContact SD-CG2 4.39Å; T44-V50 HydrophobicContact CG2-CB 4.17Å; T44-V50 HydrophobicContact CG2-CG1 3.52Å; T44-V50 HydrophobicContact CG2-CG2 3.61Å
51	G	98.8	Very high	98.3	Very high	3 Å²	3	35 Å²	35	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-178.9	175.3	0	0	0	0	0	113.8	S12 F13 W40	S12-G51 CarbonylContact C-O 3.55Å; S12-G51 WeakPolarHBondContact CA-O 3.45Å; F13-G51 VanDerWaalsContact CD1-O 3.31Å; F13-G51 WeakPolarHBondContact CD1-O 3.24Å; F13-G51 VanDerWaalsContact CE1-C 3.43Å; F13-G51 PolarHBondContact N-O 2.84Å; F13-G51 PolarHBondContact O-N 2.87Å; F13-G51 VanDerWaalsContact O-N 3.12Å; W40-G51 CarbonylContact O-C 3.54Å; W40-G51 WeakPolarHBondContact O-CA 3.3Å
52	E	98.9	Very high	98.2	Very high	60 Å²	60	36.4 Å²	36.4	28%	0.28	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.1	169.5	-62.1	177.7	159.4	0	0	109	C11 S12 G39 W40 F93	C11-E52 CarbonylContact O-C 3.55Å; C11-E52 VanDerWaalsContact O-CA 3.32Å; C11-E52 WeakPolarHBondContact O-CA 3.38Å; S12-E52 PolarHBondContact OG-OE1 3.48Å; G39-E52 CarbonylContact C-O 3.58Å; G39-E52 VanDerWaalsContact CA-O 3.28Å; G39-E52 WeakPolarHBondContact CA-O 3.49Å; W40-E52 HydrophobicContact CZ2-CB 4.25Å; W40-E52 HydrophobicContact CZ2-CG 3.58Å; W40-E52 PolarHBondContact N-O 2.84Å; W40-E52 PolarHBondContact NE1-OE2 3.08Å; W40-E52 PolarHBondContact O-N 2.84Å; E52-F93 HydrophobicContact CB-CE2 4.47Å; E52-F93 HydrophobicContact CB-CZ 4.49Å
53	F	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.1	177.1	61.8	-82.6	0	0	0	111.1	G10 C11 F13 L37 V38 V60 F63 K64 L67 F82 F96	G10-F53 CarbonylContact C-O 3.52Å; G10-F53 VanDerWaalsContact CA-O 3.26Å; G10-F53 WeakPolarHBondContact CA-O 3.32Å; C11-F53 HydrophobicContact CB-CD1 4.37Å; C11-F53 HydrophobicContact CB-CE1 3.81Å; C11-F53 HydrophobicContact CB-CE2 4.06Å; C11-F53 HydrophobicContact CB-CZ 3.65Å; C11-F53 PolarHBondContact N-O 3.46Å; C11-F53 WeakPolarHBondContact O-CD1 3.34Å; C11-F53 PolarHBondContact O-N 3.41Å; F13-F53 HydrophobicContact CB-CE1 4.27Å; F13-F53 AromaticContact CD1-CD1 3.47Å; F13-F53 HydrophobicContact CD1-CD1 3.47Å; F13-F53 VanDerWaalsContact CD1-CD1 3.47Å; F13-F53 AromaticContact CD1-CE1 3.53Å; F13-F53 HydrophobicContact CD1-CE1 3.53Å; F13-F53 AromaticContact CE1-CD1 3.78Å; F13-F53 HydrophobicContact CE1-CD1 3.78Å; F13-F53 HydrophobicContact CE1-CE1 4.21Å; F13-F53 HydrophobicContact CG-CE1 4.22Å; L37-F53 HydrophobicContact CD1-CD2 3.85Å; L37-F53 HydrophobicContact CD1-CE2 4.48Å; V38-F53 CarbonylContact O-C 3.57Å; V38-F53 VanDerWaalsContact O-CA 3.24Å; V38-F53 WeakPolarHBondContact O-CA 3.45Å; F53-V60 HydrophobicContact CD2-CG2 4.11Å; F53-V60 HydrophobicContact CE2-CB 4.17Å; F53-V60 HydrophobicContact CE2-CG1 3.85Å; F53-V60 HydrophobicContact CE2-CG2 4.12Å; F53-F63 HydrophobicContact CB-CD1 4.23Å; F53-F63 HydrophobicContact CB-CE1 4.15Å; F53-F63 AromaticContact CD1-CD1 3.89Å; F53-F63 HydrophobicContact CD1-CD1 3.89Å; F53-F63 AromaticContact CD1-CE1 3.89Å; F53-F63 HydrophobicContact CD1-CE1 3.89Å; F53-F63 AromaticContact CD2-CD1 3.69Å; F53-F63 HydrophobicContact CD2-CD1 3.69Å; F53-F63 HydrophobicContact CD2-CE1 4.38Å; F53-F63 HydrophobicContact CE1-CD1 4.08Å; F53-F63 HydrophobicContact CE1-CE1 4.33Å; F53-F63 HydrophobicContact CE2-CB 4.46Å; F53-F63 AromaticContact CE2-CD1 3.84Å; F53-F63 HydrophobicContact CE2-CD1 3.84Å; F53-F63 AromaticContact CG-CD1 3.69Å; F53-F63 HydrophobicContact CG-CD1 3.69Å; F53-F63 AromaticContact CG-CE1 3.91Å; F53-F63 HydrophobicContact CG-CE1 3.91Å; F53-F63 HydrophobicContact CZ-CD1 4.04Å; F53-K64 HydrophobicContact CE2-CG 4.28Å; F53-K64 HydrophobicContact CZ-CG 3.75Å; F53-L67 HydrophobicContact CE1-CD1 4.1Å; F53-L67 HydrophobicContact CZ-CD1 4.46Å; F53-F82 HydrophobicContact CE1-CD1 4.49Å; F53-F82 HydrophobicContact CE1-CE1 4.32Å; F53-F82 HydrophobicContact CZ-CE1 4.26Å; F53-F96 HydrophobicContact CB-CE2 3.75Å
54	E	98.7	Very high	98.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.7	179.5	-61.7	-174.1	156.5	0	0	109.1	S9 L37 V38 R86 I88 L91 H92 F93	S9-E54 CarbonylContact O-C 3.57Å; S9-E54 VanDerWaalsContact O-CA 3.26Å; S9-E54 WeakPolarHBondContact O-CA 3.32Å; L37-E54 WeakPolarHBondContact CA-O 3.31Å; V38-E54 HydrophobicContact CG2-CB 4.03Å; V38-E54 WeakPolarHBondContact CG2-O 3.28Å; V38-E54 PolarHBondContact N-O 3.02Å; V38-E54 PolarHBondContact O-N 3.38Å; E54-R86 IonicContact OE1-NH2 2.59Å; E54-R86 PolarHBondContact OE1-NH2 2.88Å; E54-I88 HydrophobicContact CB-CD1 3.69Å; E54-I88 HydrophobicContact CG-CD1 3.79Å; E54-L91 HydrophobicContact CB-CD2 4Å; E54-H92 IonicContact OE1-CE1 3.82Å; E54-H92 IonicContact OE1-CG 3.69Å; E54-H92 IonicContact OE1-ND1 3.14Å; E54-H92 PolarHBondContact OE1-ND1 2.9Å; E54-H92 WeakPolarHBondContact OE2-CB 3.16Å; E54-H92 IonicContact OE2-CG 3.87Å; E54-H92 PolarHBondContact OE2-N 3.49Å; E54-H92 IonicContact OE2-ND1 3.17Å; E54-H92 PolarHBondContact OE2-ND1 3.14Å; E54-H92 VanDerWaalsContact OE2-ND1 3.14Å; E54-F93 HydrophobicContact CG-CD2 4.09Å; E54-F93 HydrophobicContact CG-CE2 4.1Å
55	G	98.6	Very high	98.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-169.6	176.3	0	0	0	0	0	113.4	L8 S9	L8-G55 WeakPolarHBondContact CA-O 3.22Å; S9-G55 PolarHBondContact N-O 2.83Å; S9-G55 PolarHBondContact O-N 2.71Å
56	P	97.9	Very high	98.3	Very high	21 Å²	21	27.8 Å²	27.8	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	140.6	174.1	-25.2	35.6	0	0	0	111.4	D7 L8 G36 V58 G59 V60	D7-P56 CarbonylContact O-C 3.58Å; D7-P56 WeakPolarHBondContact O-CA 3.21Å; L8-P56 HydrophobicContact CD2-CG 4.46Å; G36-P56 WeakPolarHBondContact O-CD 3.48Å; P56-V58 PolarHBondContact O-N 3.42Å; P56-G59 WeakPolarHBondContact O-CA 3.34Å; P56-G59 PolarHBondContact O-N 2.9Å; P56-V60 PolarHBondContact O-N 3.03Å
57	S	96.8	Very high	98.4	Very high	16 Å²	16	23.4 Å²	23.4	11%	0.112	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-34.6	-172.7	-61.3	0	0	0	0	112.6	D7 S9 G59 V60 D61	D7-S57 WeakPolarHBondContact CB-OG 3.43Å; D7-S57 PolarHBondContact O-N 2.86Å; D7-S57 PolarHBondContact O-OG 3.26Å; S9-S57 PolarHBondContact OG-OG 3.07Å; S57-G59 PolarHBondContact O-N 3.35Å; S57-V60 PolarHBondContact O-N 3.41Å; S57-D61 PolarHBondContact O-N 3Å
58	V	96.8	Very high	98.4	Very high	65 Å²	65	23.4 Å²	23.4	39%	0.394	13%	0.131	S	C	.	.	H	α-helix	trans	-60.1	-45	172.5	179.6	0	0	0	0	111.8	G3 P56 D61 A62	G3-V58 WeakPolarHBondContact O-CG2 3.22Å; P56-V58 PolarHBondContact O-N 3.42Å; V58-D61 PolarHBondContact O-N 3.5Å; V58-A62 WeakPolarHBondContact O-CB 3.15Å; V58-A62 PolarHBondContact O-N 2.99Å
59	G	97.9	Very high	98.4	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-38.8	177.4	0	0	0	0	0	111.9	P56 S57 A62 F63	P56-G59 WeakPolarHBondContact O-CA 3.34Å; P56-G59 PolarHBondContact O-N 2.9Å; S57-G59 PolarHBondContact O-N 3.35Å; G59-A62 PolarHBondContact O-N 3.41Å; G59-F63 WeakPolarHBondContact O-CB 3.06Å; G59-F63 PolarHBondContact O-N 3.43Å
60	V	98.5	Very high	98.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-48.1	176	162.6	0	0	0	0	110.3	S9 L37 F53 P56 S57 F63 K64	S9-V60 WeakPolarHBondContact OG-CG2 3.46Å; L37-V60 HydrophobicContact CD2-CG2 3.89Å; F53-V60 HydrophobicContact CD2-CG2 4.11Å; F53-V60 HydrophobicContact CE2-CB 4.17Å; F53-V60 HydrophobicContact CE2-CG1 3.85Å; F53-V60 HydrophobicContact CE2-CG2 4.12Å; P56-V60 PolarHBondContact O-N 3.03Å; S57-V60 PolarHBondContact O-N 3.41Å; V60-F63 PolarHBondContact O-N 3.01Å; V60-K64 HydrophobicContact CG1-CD 4.28Å; V60-K64 VanDerWaalsContact O-CG 3.3Å; V60-K64 WeakPolarHBondContact O-CG 3.37Å; V60-K64 PolarHBondContact O-N 3.46Å
61	D	97.7	Very high	98.4	Very high	66 Å²	66	31.6 Å²	31.6	35%	0.353	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-43.8	178.5	-70.4	-23.5	0	0	0	111.7	G3 S57 V58 F63 K64 H65	G3-D61 PolarHBondContact N-OD2 3.38Å; S57-D61 PolarHBondContact O-N 3Å; V58-D61 PolarHBondContact O-N 3.5Å; D61-F63 VanDerWaalsContact C-N 3.33Å; D61-F63 PolarHBondContact O-N 2.59Å; D61-K64 PolarHBondContact O-N 2.92Å; D61-H65 PolarHBondContact O-N 3.26Å
62	A	98.4	Very high	98.3	Very high	30 Å²	30	31.5 Å²	31.5	25%	0.248	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-42.6	176	0	0	0	0	0	111.8	F31 V58 G59 H65 W66	F31-A62 HydrophobicContact CE1-CB 4.28Å; F31-A62 HydrophobicContact CZ-CB 4.43Å; V58-A62 WeakPolarHBondContact O-CB 3.15Å; V58-A62 PolarHBondContact O-N 2.99Å; G59-A62 PolarHBondContact O-N 3.41Å; A62-H65 PolarHBondContact O-N 3Å; A62-W66 WeakPolarHBondContact O-CB 3.14Å; A62-W66 PolarHBondContact O-N 2.88Å
63	F	98.8	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.9	-37.7	-179.8	-170.7	-133.9	0	0	0	112.6	F13 A28 F31 A32 L37 F53 G59 V60 D61 H65 W66 L67 F96	F13-F63 HydrophobicContact CE1-CE1 4.33Å; A28-F63 HydrophobicContact CB-CE2 4.11Å; A28-F63 HydrophobicContact CB-CZ 4.17Å; A28-F63 WeakPolarHBondContact O-CE2 3.4Å; F31-F63 HydrophobicContact CD1-CB 4.47Å; F31-F63 AromaticContact CD1-CD2 3.69Å; F31-F63 HydrophobicContact CD1-CD2 3.69Å; F31-F63 HydrophobicContact CD1-CE2 4.47Å; F31-F63 HydrophobicContact CE1-CB 4.4Å; F31-F63 HydrophobicContact CE1-CD2 4.33Å; A32-F63 HydrophobicContact CB-CD2 4.38Å; A32-F63 HydrophobicContact CB-CE1 4.26Å; A32-F63 HydrophobicContact CB-CE2 4.06Å; A32-F63 HydrophobicContact CB-CZ 3.99Å; L37-F63 HydrophobicContact CD1-CB 3.3Å; L37-F63 HydrophobicContact CD1-CD1 3.52Å; L37-F63 HydrophobicContact CD1-CE1 4.46Å; L37-F63 HydrophobicContact CD1-CG 3.59Å; F53-F63 HydrophobicContact CB-CD1 4.23Å; F53-F63 HydrophobicContact CB-CE1 4.15Å; F53-F63 AromaticContact CD1-CD1 3.89Å; F53-F63 HydrophobicContact CD1-CD1 3.89Å; F53-F63 AromaticContact CD1-CE1 3.89Å; F53-F63 HydrophobicContact CD1-CE1 3.89Å; F53-F63 AromaticContact CD2-CD1 3.69Å; F53-F63 HydrophobicContact CD2-CD1 3.69Å; F53-F63 HydrophobicContact CD2-CE1 4.38Å; F53-F63 HydrophobicContact CE1-CD1 4.08Å; F53-F63 HydrophobicContact CE1-CE1 4.33Å; F53-F63 HydrophobicContact CE2-CB 4.46Å; F53-F63 AromaticContact CE2-CD1 3.84Å; F53-F63 HydrophobicContact CE2-CD1 3.84Å; F53-F63 AromaticContact CG-CD1 3.69Å; F53-F63 HydrophobicContact CG-CD1 3.69Å; F53-F63 AromaticContact CG-CE1 3.91Å; F53-F63 HydrophobicContact CG-CE1 3.91Å; F53-F63 HydrophobicContact CZ-CD1 4.04Å; G59-F63 WeakPolarHBondContact O-CB 3.06Å; G59-F63 PolarHBondContact O-N 3.43Å; V60-F63 PolarHBondContact O-N 3.01Å; D61-F63 VanDerWaalsContact C-N 3.33Å; D61-F63 PolarHBondContact O-N 2.59Å; F63-H65 VanDerWaalsContact C-N 3.31Å; F63-H65 PolarHBondContact O-N 3.06Å; F63-W66 HydrophobicContact CD2-CE3 4.32Å; F63-W66 HydrophobicContact CE2-CE3 4.03Å; F63-W66 HydrophobicContact CE2-CZ3 4.47Å; F63-W66 PolarHBondContact O-N 2.84Å; F63-L67 HydrophobicContact CD1-CD1 3.86Å; F63-L67 HydrophobicContact CD1-CG 4.39Å; F63-L67 HydrophobicContact CD2-CD1 4.47Å; F63-L67 HydrophobicContact CD2-CG 4.14Å; F63-L67 HydrophobicContact CE1-CD1 3.75Å; F63-L67 HydrophobicContact CE1-CD2 4.42Å; F63-L67 HydrophobicContact CE1-CG 4.22Å; F63-L67 HydrophobicContact CE2-CD1 4.39Å; F63-L67 HydrophobicContact CE2-CD2 4.01Å; F63-L67 HydrophobicContact CE2-CG 3.96Å; F63-L67 HydrophobicContact CG-CD1 4.24Å; F63-L67 HydrophobicContact CG-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 4.04Å; F63-L67 HydrophobicContact CZ-CD2 3.88Å; F63-L67 HydrophobicContact CZ-CG 4.02Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 VanDerWaalsContact O-CG 3.24Å; F63-L67 WeakPolarHBondContact O-CG 3.45Å; F63-L67 PolarHBondContact O-N 2.82Å; F63-F96 AromaticContact CE1-CE2 3.88Å; F63-F96 HydrophobicContact CE1-CE2 3.88Å; F63-F96 AromaticContact CE1-CZ 3.87Å; F63-F96 HydrophobicContact CE1-CZ 3.87Å; F63-F96 HydrophobicContact CZ-CE2 4.2Å; F63-F96 AromaticContact CZ-CZ 3.84Å; F63-F96 HydrophobicContact CZ-CZ 3.84Å
64	K	98.8	Very high	98.3	Very high	32 Å²	32	41.3 Å²	41.3	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-47.3	170	-73.4	178.4	-178.6	167.8	0	111	F53 V60 D61 W66 L67 C68 F82 E85	F53-K64 HydrophobicContact CE2-CG 4.28Å; F53-K64 HydrophobicContact CZ-CG 3.75Å; V60-K64 HydrophobicContact CG1-CD 4.28Å; V60-K64 VanDerWaalsContact O-CG 3.3Å; V60-K64 WeakPolarHBondContact O-CG 3.37Å; V60-K64 PolarHBondContact O-N 3.46Å; D61-K64 PolarHBondContact O-N 2.92Å; K64-W66 PolarHBondContact O-N 3.33Å; K64-L67 PolarHBondContact O-N 2.89Å; K64-C68 PolarHBondContact O-N 3.05Å; K64-C68 PolarHBondContact O-SG 2.91Å; K64-F82 HydrophobicContact CB-CE1 4.19Å; K64-F82 HydrophobicContact CB-CE2 3.95Å; K64-F82 HydrophobicContact CB-CZ 3.6Å; K64-F82 HydrophobicContact CD-CD2 4.45Å; K64-F82 HydrophobicContact CD-CE2 4.36Å; K64-F82 HydrophobicContact CD-CZ 4.42Å; K64-F82 HydrophobicContact CG-CD1 4.14Å; K64-F82 HydrophobicContact CG-CD2 4.43Å; K64-F82 HydrophobicContact CG-CE1 3.67Å; K64-F82 HydrophobicContact CG-CE2 3.97Å; K64-F82 HydrophobicContact CG-CZ 3.57Å; K64-E85 IonicContact NZ-OE2 2.91Å; K64-E85 PolarHBondContact NZ-OE2 3.49Å
65	H	98.7	Very high	98.3	Very high	105 Å²	105	42 Å²	42	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-59.9	-46.9	176.6	177.9	73.2	0	0	0	111.7	D61 A62 F63 L67 C68 N69	D61-H65 PolarHBondContact O-N 3.26Å; A62-H65 PolarHBondContact O-N 3Å; F63-H65 VanDerWaalsContact C-N 3.31Å; F63-H65 PolarHBondContact O-N 3.06Å; H65-L67 PolarHBondContact O-N 3.31Å; H65-C68 PolarHBondContact O-N 3.44Å; H65-N69 PolarHBondContact ND1-ND2 3.13Å; H65-N69 WeakPolarHBondContact O-CB 3.26Å; H65-N69 PolarHBondContact O-N 2.86Å; H65-N69 PolarHBondContact O-ND2 3.34Å
66	W	98.8	Very high	98.3	Very high	14 Å²	14	48 Å²	48	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-45.8	179.4	-173.9	93	0	0	0	112.5	F24 A28 F31 A62 F63 K64 C68 I70 G71	F24-W66 HydrophobicContact CE1-CZ3 4.01Å; F24-W66 HydrophobicContact CE2-CZ3 4.42Å; F24-W66 HydrophobicContact CZ-CH2 4.46Å; F24-W66 AromaticContact CZ-CZ3 3.91Å; F24-W66 HydrophobicContact CZ-CZ3 3.91Å; A28-W66 HydrophobicContact CB-CE3 4.48Å; A28-W66 HydrophobicContact CB-CH2 3.9Å; A28-W66 HydrophobicContact CB-CZ3 3.57Å; F31-W66 HydrophobicContact CB-CD2 4.37Å; F31-W66 HydrophobicContact CD1-CB 4Å; F31-W66 HydrophobicContact CD1-CD2 4.47Å; F31-W66 AromaticContact CD1-CG 3.95Å; F31-W66 HydrophobicContact CD1-CG 3.95Å; F31-W66 HydrophobicContact CD2-CB 4.46Å; F31-W66 AromaticContact CD2-CD1 3.26Å; F31-W66 HydrophobicContact CD2-CD2 4.4Å; F31-W66 AromaticContact CD2-CG 3.81Å; F31-W66 HydrophobicContact CD2-CG 3.81Å; F31-W66 AromaticContact CD2-NE1 3.58Å; F31-W66 HydrophobicContact CE1-CB 3.7Å; F31-W66 HydrophobicContact CE1-CG 4.04Å; F31-W66 HydrophobicContact CE2-CB 4.2Å; F31-W66 AromaticContact CE2-CD1 3.32Å; F31-W66 AromaticContact CE2-CG 3.91Å; F31-W66 HydrophobicContact CE2-CG 3.91Å; F31-W66 HydrophobicContact CG-CB 4.36Å; F31-W66 AromaticContact CG-CD1 3.74Å; F31-W66 HydrophobicContact CG-CD2 4.15Å; F31-W66 AromaticContact CG-CG 3.82Å; F31-W66 HydrophobicContact CG-CG 3.82Å; F31-W66 HydrophobicContact CZ-CB 3.81Å; F31-W66 AromaticContact CZ-CD1 3.85Å; F31-W66 HydrophobicContact CZ-CG 4.02Å; A62-W66 WeakPolarHBondContact O-CB 3.14Å; A62-W66 PolarHBondContact O-N 2.88Å; F63-W66 HydrophobicContact CD2-CE3 4.32Å; F63-W66 HydrophobicContact CE2-CE3 4.03Å; F63-W66 HydrophobicContact CE2-CZ3 4.47Å; F63-W66 PolarHBondContact O-N 2.84Å; K64-W66 PolarHBondContact O-N 3.33Å; W66-C68 PolarHBondContact O-N 3.17Å; W66-I70 HydrophobicContact CG-CB 4.12Å; W66-I70 PolarHBondContact O-N 3.46Å; W66-G71 VanDerWaalsContact CH2-C 3.49Å; W66-G71 WeakPolarHBondContact CZ2-O 3.24Å; W66-G71 PolarHBondContact O-N 3.06Å
67	L	98.8	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-34	180	-76.5	169.9	0	0	0	112.6	F13 V15 F24 F53 F63 K64 H65 I77 F82	F13-L67 HydrophobicContact CB-CD1 4.41Å; F13-L67 HydrophobicContact CD1-CD1 4.13Å; F13-L67 HydrophobicContact CD2-CD1 3.97Å; F13-L67 HydrophobicContact CD2-CD2 4.22Å; F13-L67 HydrophobicContact CE1-CD1 4.34Å; F13-L67 HydrophobicContact CE2-CD1 4.21Å; F13-L67 HydrophobicContact CE2-CD2 3.84Å; F13-L67 HydrophobicContact CG-CD1 3.91Å; F13-L67 HydrophobicContact CZ-CD1 4.37Å; F13-L67 HydrophobicContact CZ-CD2 4.21Å; V15-L67 HydrophobicContact CG2-CB 4.38Å; V15-L67 HydrophobicContact CG2-CD2 4.14Å; F24-L67 HydrophobicContact CE1-CD2 3.88Å; F24-L67 HydrophobicContact CZ-CD2 4.21Å; F53-L67 HydrophobicContact CE1-CD1 4.1Å; F53-L67 HydrophobicContact CZ-CD1 4.46Å; F63-L67 HydrophobicContact CD1-CD1 3.86Å; F63-L67 HydrophobicContact CD1-CG 4.39Å; F63-L67 HydrophobicContact CD2-CD1 4.47Å; F63-L67 HydrophobicContact CD2-CG 4.14Å; F63-L67 HydrophobicContact CE1-CD1 3.75Å; F63-L67 HydrophobicContact CE1-CD2 4.42Å; F63-L67 HydrophobicContact CE1-CG 4.22Å; F63-L67 HydrophobicContact CE2-CD1 4.39Å; F63-L67 HydrophobicContact CE2-CD2 4.01Å; F63-L67 HydrophobicContact CE2-CG 3.96Å; F63-L67 HydrophobicContact CG-CD1 4.24Å; F63-L67 HydrophobicContact CG-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 4.04Å; F63-L67 HydrophobicContact CZ-CD2 3.88Å; F63-L67 HydrophobicContact CZ-CG 4.02Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 VanDerWaalsContact O-CG 3.24Å; F63-L67 WeakPolarHBondContact O-CG 3.45Å; F63-L67 PolarHBondContact O-N 2.82Å; K64-L67 PolarHBondContact O-N 2.89Å; H65-L67 PolarHBondContact O-N 3.31Å; L67-I77 WeakPolarHBondContact O-CD1 3.47Å; L67-F82 HydrophobicContact CD1-CE1 3.99Å; L67-F82 HydrophobicContact CD1-CZ 4.45Å
68	C	98.6	Very high	98.4	Very high	33 Å²	33	54.3 Å²	54.3	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-96.5	-23.3	-174.7	-52.2	0	0	0	0	114.1	K64 H65 W66 C80 F82	K64-C68 PolarHBondContact O-N 3.05Å; K64-C68 PolarHBondContact O-SG 2.91Å; H65-C68 PolarHBondContact O-N 3.44Å; W66-C68 PolarHBondContact O-N 3.17Å; C68-C80 WeakPolarHBondContact CA-SG 3.22Å; C68-C80 HydrophobicContact CB-CB 3.5Å; C68-C80 WeakPolarHBondContact CB-SG 3.43Å; C68-C80 WeakPolarHBondContact SG-CB 3.33Å; C68-C80 CovalentContact SG-SG 2.06Å; C68-C80 PolarHBondContact SG-SG 3.29Å; C68-F82 WeakPolarHBondContact SG-CE2 3.31Å; C68-F82 WeakPolarHBondContact SG-CZ 3.41Å
69	N	98.4	Very high	98.5	Very high	110 Å²	110	57.8 Å²	57.8	59%	0.588	30%	0.295	S	S	*	.	H	α-helix	trans	-127.8	-16.4	-168.2	-54.4	-79	0	0	0	115.1	H65	H65-N69 PolarHBondContact ND1-ND2 3.13Å; H65-N69 WeakPolarHBondContact O-CB 3.26Å; H65-N69 PolarHBondContact O-N 2.86Å; H65-N69 PolarHBondContact O-ND2 3.34Å
70	I	98.5	Very high	98.6	Very high	93 Å²	93	59 Å²	59	48%	0.477	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-61.5	-173.4	-56.7	177	0	0	0	110.4	W66	W66-I70 HydrophobicContact CG-CB 4.12Å; W66-I70 PolarHBondContact O-N 3.46Å
71	G	98.2	Very high	98.6	Very high	5 Å²	5	61.7 Å²	61.7	5%	0.052	32%	0.316	C	S	.	.			trans	57.9	-163.1	-178.1	0	0	0	0	0	114.2	W66	W66-G71 VanDerWaalsContact CH2-C 3.49Å; W66-G71 WeakPolarHBondContact CZ2-O 3.24Å; W66-G71 PolarHBondContact O-N 3.06Å
72	S	98.6	Very high	98.6	Very high	2 Å²	2	61 Å²	61	1%	0.014	31%	0.31	C	S	.	.			trans	-82.9	157.7	172.3	66.8	0	0	0	0	111.5	V22 K74 S75	V22-S72 WeakPolarHBondContact O-CB 3.33Å; V22-S72 PolarHBondContact O-OG 3.05Å; S72-K74 PolarHBondContact O-N 3.16Å; S72-S75 PolarHBondContact N-OG 3.42Å; S72-S75 WeakPolarHBondContact O-CB 3.24Å; S72-S75 PolarHBondContact O-N 2.91Å; S72-S75 PolarHBondContact O-OG 3.44Å; S72-S75 WeakPolarHBondContact OG-CB 3.36Å
73	P	98.5	Very high	98.6	Very high	106 Å²	106	65.2 Å²	65.2	69%	0.688	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.9	-172.3	-29.1	35.5	0	0	0	116.4	Y27	Y27-P73 HydrophobicContact CE1-CG 4.23Å
74	K	98.3	Very high	98.6	Very high	160 Å²	160	70.3 Å²	70.3	70%	0.696	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	4.4	180	-66.6	-170.7	177.9	-177.3	0	113.6	V22 S72	V22-K74 HydrophobicContact CB-CB 4.03Å; V22-K74 HydrophobicContact CG1-CB 3.98Å; V22-K74 WeakPolarHBondContact CG1-O 3.37Å; S72-K74 PolarHBondContact O-N 3.16Å
75	S	98.6	Very high	98.5	Very high	19 Å²	19	74.1 Å²	74.1	13%	0.133	37%	0.368	C	S	.	.			trans	-83.5	157.5	180	68.7	0	0	0	0	112.5	K18 S72	K18-S75 WeakPolarHBondContact O-CA 3.39Å; K18-S75 VanDerWaalsContact O-CB 3.28Å; K18-S75 WeakPolarHBondContact O-CB 3.5Å; S72-S75 PolarHBondContact N-OG 3.42Å; S72-S75 WeakPolarHBondContact O-CB 3.24Å; S72-S75 PolarHBondContact O-N 2.91Å; S72-S75 PolarHBondContact O-OG 3.44Å; S72-S75 WeakPolarHBondContact OG-CB 3.36Å
76	Q	98.7	Very high	98.4	Very high	124 Å²	124	74.3 Å²	74.3	58%	0.579	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.6	168	-64.3	175.3	-57.8	0	0	106.6	G17 K18	G17-Q76 CarbonylContact C-O 3.46Å; G17-Q76 WeakPolarHBondContact CA-O 2.98Å; K18-Q76 HydrophobicContact CB-CB 3.98Å; K18-Q76 HydrophobicContact CB-CG 4.49Å; K18-Q76 PolarHBondContact N-O 3.35Å; K18-Q76 PolarHBondContact O-N 2.87Å; K18-Q76 VanDerWaalsContact O-N 3.07Å
77	I	98.7	Very high	98.4	Very high	42 Å²	42	82.6 Å²	82.6	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.1	-176.8	-62.1	154.5	0	0	0	107.7	V15 F24 L67 C80	V15-I77 HydrophobicContact CG1-CB 4.44Å; V15-I77 HydrophobicContact CG1-CG1 4.08Å; V15-I77 HydrophobicContact CG1-CG2 3.73Å; F24-I77 HydrophobicContact CE2-CD1 4.11Å; F24-I77 HydrophobicContact CE2-CG1 4.06Å; F24-I77 HydrophobicContact CZ-CD1 4.47Å; L67-I77 WeakPolarHBondContact O-CD1 3.47Å; I77-C80 HydrophobicContact CG2-CB 4.42Å
78	D	98.6	Very high	98.3	Very high	129 Å²	129	83.4 Å²	83.4	69%	0.69	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	-39.4	179.6	-61.4	-22.6	0	0	0	110.8	H16 G17	H16-D78 PolarHBondContact O-N 3.45Å; G17-D78 WeakPolarHBondContact CA-OD2 3.33Å
79	R	98.5	Very high	98.2	Very high	137 Å²	137	87.2 Å²	87.2	52%	0.517	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.7	-179	-172.7	174	66.3	-172.3	1.3	110.7	H16 Q81	H16-R79 HydrophobicContact CB-CB 4.22Å; H16-R79 PolarHBondContact CD2-NE 3.49Å; H16-R79 PolarHBondContact CE1-NH2 2.91Å; H16-R79 PolarHBondContact N-O 3.46Å; H16-R79 PolarHBondContact NE2-NH2 3.18Å; H16-R79 VanDerWaalsContact NE2-NH2 3.16Å; H16-R79 PolarHBondContact O-N 2.77Å; R79-Q81 HydrophobicContact CG-CG 4.3Å
80	C	98.8	Very high	98.1	Very high	29 Å²	29	87.7 Å²	87.7	20%	0.196	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.2	-178.5	-174.4	0	0	0	0	107.5	C68 I77 F82	C68-C80 WeakPolarHBondContact CA-SG 3.22Å; C68-C80 HydrophobicContact CB-CB 3.5Å; C68-C80 WeakPolarHBondContact CB-SG 3.43Å; C68-C80 WeakPolarHBondContact SG-CB 3.33Å; C68-C80 CovalentContact SG-SG 2.06Å; C68-C80 PolarHBondContact SG-SG 3.29Å; I77-C80 HydrophobicContact CG2-CB 4.42Å; C80-F82 VanDerWaalsContact SG-CZ 3.53Å
81	Q	98.7	Very high	98.1	Very high	60 Å²	60	86.7 Å²	86.7	28%	0.28	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.2	-177.4	-65.2	-178.8	63.1	0	0	110.2	F13 E14 H16 R79	F13-Q81 CarbonylContact C-O 3.58Å; F13-Q81 WeakPolarHBondContact CA-O 3.48Å; F13-Q81 WeakPolarHBondContact CB-O 3.26Å; E14-Q81 PolarHBondContact N-O 2.95Å; E14-Q81 PolarHBondContact O-N 2.96Å; H16-Q81 PolarHBondContact NE2-NE2 2.95Å; R79-Q81 HydrophobicContact CG-CG 4.3Å
82	F	98.7	Very high	98.1	Very high	52 Å²	52	91.7 Å²	91.7	23%	0.228	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.9	174.8	-61.7	-64.7	0	0	0	110.1	C11 S12 F13 F53 K64 L67 C68 C80 E85	C11-F82 VanDerWaalsContact SG-CD1 3.51Å; S12-F82 CarbonylContact O-C 3.59Å; S12-F82 WeakPolarHBondContact O-CA 3.44Å; F13-F82 HydrophobicContact CB-CD1 3.67Å; F13-F82 HydrophobicContact CB-CE1 3.73Å; F53-F82 HydrophobicContact CE1-CD1 4.49Å; F53-F82 HydrophobicContact CE1-CE1 4.32Å; F53-F82 HydrophobicContact CZ-CE1 4.26Å; K64-F82 HydrophobicContact CB-CE1 4.19Å; K64-F82 HydrophobicContact CB-CE2 3.95Å; K64-F82 HydrophobicContact CB-CZ 3.6Å; K64-F82 HydrophobicContact CD-CD2 4.45Å; K64-F82 HydrophobicContact CD-CE2 4.36Å; K64-F82 HydrophobicContact CD-CZ 4.42Å; K64-F82 HydrophobicContact CG-CD1 4.14Å; K64-F82 HydrophobicContact CG-CD2 4.43Å; K64-F82 HydrophobicContact CG-CE1 3.67Å; K64-F82 HydrophobicContact CG-CE2 3.97Å; K64-F82 HydrophobicContact CG-CZ 3.57Å; L67-F82 HydrophobicContact CD1-CE1 3.99Å; L67-F82 HydrophobicContact CD1-CZ 4.45Å; C68-F82 WeakPolarHBondContact SG-CE2 3.31Å; C68-F82 WeakPolarHBondContact SG-CZ 3.41Å; C80-F82 VanDerWaalsContact SG-CZ 3.53Å; F82-E85 HydrophobicContact CB-CG 4.28Å; F82-E85 VanDerWaalsContact CB-OE1 3.31Å; F82-E85 WeakPolarHBondContact CB-OE1 3.38Å
83	K	98.5	Very high	98.1	Very high	118 Å²	118	93.9 Å²	93.9	51%	0.513	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.7	179.9	-66	179.9	-177.2	168.2	0	109	S12 E85	S12-K83 PolarHBondContact N-O 2.84Å; S12-K83 PolarHBondContact O-N 2.94Å; K83-E85 PolarHBondContact O-N 3.32Å; K83-E85 VanDerWaalsContact O-N 3.11Å
84	N	97.6	Very high	98	Very high	106 Å²	106	98.3 Å²	98.3	57%	0.567	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.1	30.6	175.6	-50.5	-40.6	0	0	0	113.6	S12 R86	S12-N84 PolarHBondContact OG-ND2 3.18Å; S12-N84 VanDerWaalsContact OG-ND2 3.08Å; N84-R86 PolarHBondContact O-N 2.89Å; N84-R86 PolarHBondContact O-NH1 3.34Å
85	E	98.1	Very high	98	Very high	113 Å²	113	93 Å²	93	53%	0.528	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	118	175.7	-69.9	-174.7	-121.6	0	0	109.5	G10 C11 K64 F82 K83	G10-E85 WeakPolarHBondContact O-CA 3.42Å; C11-E85 HydrophobicContact CB-CG 4.26Å; C11-E85 VanDerWaalsContact SG-CG 3.56Å; K64-E85 IonicContact NZ-OE2 2.91Å; K64-E85 PolarHBondContact NZ-OE2 3.49Å; F82-E85 HydrophobicContact CB-CG 4.28Å; F82-E85 VanDerWaalsContact CB-OE1 3.31Å; F82-E85 WeakPolarHBondContact CB-OE1 3.38Å; K83-E85 PolarHBondContact O-N 3.32Å; K83-E85 VanDerWaalsContact O-N 3.11Å
86	R	96.9	Very high	98	Very high	109 Å²	109	92.1 Å²	92.1	41%	0.411	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.7	-175.5	66.3	-171.2	-176.4	-77.8	-2	111.5	S9 G10 E54 N84 I88	S9-R86 CarbonylContact C-O 3.55Å; S9-R86 VanDerWaalsContact CA-O 3.22Å; S9-R86 WeakPolarHBondContact CA-O 3.38Å; S9-R86 WeakPolarHBondContact CB-O 3.43Å; G10-R86 PolarHBondContact N-O 2.72Å; G10-R86 PolarHBondContact O-N 3.4Å; E54-R86 IonicContact OE1-NH2 2.59Å; E54-R86 PolarHBondContact OE1-NH2 2.88Å; N84-R86 PolarHBondContact O-N 2.89Å; N84-R86 PolarHBondContact O-NH1 3.34Å; R86-I88 HydrophobicContact CG-CG2 3.87Å
87	R	97.7	Very high	98	Very high	188 Å²	188	90 Å²	90	71%	0.709	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.4	161.6	-165.6	177.9	-177.4	-168.6	0.4	108.7	D7 L8	D7-R87 IonicContact OD1-CZ 3.33Å; D7-R87 IonicContact OD1-NE 3.47Å; D7-R87 PolarHBondContact OD1-NE 3.25Å; D7-R87 IonicContact OD1-NH2 2.65Å; D7-R87 PolarHBondContact OD1-NH2 3.23Å; L8-R87 WeakPolarHBondContact O-CG 3.49Å
88	I	97.7	Very high	98	Very high	17 Å²	17	92 Å²	92	9%	0.087	44%	0.443	C	S	.	.			trans	-127.9	153	178.4	58.8	-175.9	0	0	0	109.2	L8 E54 R86 Q90 L91	L8-I88 HydrophobicContact CB-CD1 4.29Å; L8-I88 HydrophobicContact CB-CG1 3.65Å; L8-I88 PolarHBondContact O-N 3.26Å; E54-I88 HydrophobicContact CB-CD1 3.69Å; E54-I88 HydrophobicContact CG-CD1 3.79Å; R86-I88 HydrophobicContact CG-CG2 3.87Å; I88-Q90 WeakPolarHBondContact CD1-O 3.35Å; I88-L91 HydrophobicContact CD1-CD2 4.36Å
89	S	95.7	Very high	98	Very high	112 Å²	112	91.1 Å²	91.1	78%	0.783	43%	0.43	S	S	*	.	S	Bend	trans	-88.3	-18.1	177.5	57	0	0	0	0	113.3
90	Q	96.8	Very high	97.4	Very high	121 Å²	121	97.3 Å²	97.3	57%	0.565	45%	0.453	S	S	*	.	S	Bend	trans	-155.6	162.2	-178.4	65.6	-173.9	-50.3	0	0	110.5	I88 H92	I88-Q90 WeakPolarHBondContact CD1-O 3.35Å; Q90-H92 PolarHBondContact O-CE1 3.11Å
91	L	98.2	Very high	97.4	Very high	71 Å²	71	100.7 Å²	100.7	37%	0.372	47%	0.466	S	S	.	.			trans	-80.7	135.3	172.6	-58.7	-179.9	0	0	0	110.6	L8 V38 E54 I88	L8-L91 HydrophobicContact CD1-CD2 4.19Å; L8-L91 HydrophobicContact CD1-CG 4.27Å; L8-L91 HydrophobicContact CD2-CD2 4.1Å; V38-L91 HydrophobicContact CG1-CD1 4.35Å; V38-L91 HydrophobicContact CG2-CB 4.18Å; V38-L91 HydrophobicContact CG2-CD1 4.06Å; V38-L91 HydrophobicContact CG2-CD2 3.96Å; V38-L91 HydrophobicContact CG2-CG 4.29Å; E54-L91 HydrophobicContact CB-CD2 4Å; I88-L91 HydrophobicContact CD1-CD2 4.36Å
92	H	98.3	Very high	97.3	Very high	111 Å²	111	102.8 Å²	102.8	51%	0.514	48%	0.476	S	S	.	.	S	Bend	trans	-99	-7.9	176.7	-53.5	93.7	0	0	0	112.7	E54 Q90	E54-H92 IonicContact OE1-CE1 3.82Å; E54-H92 IonicContact OE1-CG 3.69Å; E54-H92 IonicContact OE1-ND1 3.14Å; E54-H92 PolarHBondContact OE1-ND1 2.9Å; E54-H92 WeakPolarHBondContact OE2-CB 3.16Å; E54-H92 IonicContact OE2-CG 3.87Å; E54-H92 PolarHBondContact OE2-N 3.49Å; E54-H92 IonicContact OE2-ND1 3.17Å; E54-H92 PolarHBondContact OE2-ND1 3.14Å; E54-H92 VanDerWaalsContact OE2-ND1 3.14Å; Q90-H92 PolarHBondContact O-CE1 3.11Å
93	F	98.4	Very high	97.2	Very high	48 Å²	48	105.7 Å²	105.7	21%	0.211	49%	0.489	C	S	.	.			trans	-118.1	147.4	175.2	-52.1	-76.5	0	0	0	110.4	V38 W40 E52 E54	V38-F93 HydrophobicContact CB-CB 3.82Å; V38-F93 HydrophobicContact CG2-CB 3.81Å; V38-F93 WeakPolarHBondContact CG2-O 3.46Å; W40-F93 AromaticContact CD1-CE1 3.65Å; W40-F93 AromaticContact CD1-CZ 3.71Å; W40-F93 AromaticContact NE1-CZ 3.79Å; E52-F93 HydrophobicContact CB-CE2 4.47Å; E52-F93 HydrophobicContact CB-CZ 4.49Å; E54-F93 HydrophobicContact CG-CD2 4.09Å; E54-F93 HydrophobicContact CG-CE2 4.1Å
94	Q	97.2	Very high	97.1	Very high	198 Å²	198	104.9 Å²	104.9	93%	0.925	49%	0.488	S	S	*	.	S	Bend	trans	-89.9	-25.3	179	-65.5	179.9	-7.3	0	0	113
95	S	98.2	Very high	97.1	Very high	49 Å²	49	104.9 Å²	104.9	34%	0.343	48%	0.483	S	S	.	.	S	Bend	trans	-157	168.4	-177.9	64.1	0	0	0	0	110.6	G39 N97	G39-S95 PolarHBondContact N-O 2.77Å; G39-S95 VanDerWaalsContact O-O 3.06Å; S95-N97 PolarHBondContact O-ND2 2.65Å; S95-N97 VanDerWaalsContact O-ND2 3.16Å; S95-N97 PolarHBondContact OG-ND2 3.35Å; S95-N97 PolarHBondContact OG-OD1 3.31Å
96	F	98.8	Very high	97	Very high	1 Å²	1	104.3 Å²	104.3	0%	0.004	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.5	173.8	-154.8	-76.8	0	0	0	111.5	A29 A32 K33 L37 G39 I41 F53 F63	A29-F96 HydrophobicContact CB-CD1 3.81Å; A29-F96 HydrophobicContact CB-CE1 4.22Å; A32-F96 HydrophobicContact CB-CB 4.35Å; A32-F96 HydrophobicContact CB-CD1 4.14Å; A32-F96 HydrophobicContact CB-CD2 3.36Å; A32-F96 HydrophobicContact CB-CE1 4.27Å; A32-F96 HydrophobicContact CB-CE2 3.49Å; A32-F96 VanDerWaalsContact CB-CE2 3.49Å; A32-F96 HydrophobicContact CB-CG 3.69Å; A32-F96 HydrophobicContact CB-CZ 3.97Å; K33-F96 WeakPolarHBondContact CE-O 3.5Å; K33-F96 HydrophobicContact CG-CB 3.96Å; K33-F96 PolarHBondContact NZ-O 3.47Å; L37-F96 HydrophobicContact CB-CD2 4.42Å; G39-F96 WeakPolarHBondContact O-CA 3.04Å; I41-F96 HydrophobicContact CB-CE1 3.9Å; I41-F96 HydrophobicContact CB-CZ 4.3Å; I41-F96 HydrophobicContact CG2-CE1 3.78Å; F53-F96 HydrophobicContact CB-CE2 3.75Å; F63-F96 AromaticContact CE1-CE2 3.88Å; F63-F96 HydrophobicContact CE1-CE2 3.88Å; F63-F96 AromaticContact CE1-CZ 3.87Å; F63-F96 HydrophobicContact CE1-CZ 3.87Å; F63-F96 HydrophobicContact CZ-CE2 4.2Å; F63-F96 AromaticContact CZ-CZ 3.84Å; F63-F96 HydrophobicContact CZ-CZ 3.84Å
97	N	98.8	Very high	97	Very high	80 Å²	80	104 Å²	104	43%	0.428	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.4	-170.7	-65.4	-71.7	0	0	0	113.3	G39 W40 I41 S95 R99	G39-N97 PolarHBondContact O-N 2.86Å; W40-N97 CarbonylContact C-O 3.54Å; W40-N97 WeakPolarHBondContact CA-O 3.28Å; I41-N97 PolarHBondContact N-O 2.7Å; S95-N97 PolarHBondContact O-ND2 2.65Å; S95-N97 VanDerWaalsContact O-ND2 3.16Å; S95-N97 PolarHBondContact OG-ND2 3.35Å; S95-N97 PolarHBondContact OG-OD1 3.31Å; N97-R99 PolarHBondContact O-N 3.41Å
98	I	98.8	Very high	97	Very high	84 Å²	84	97.5 Å²	97.5	43%	0.431	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.2	170.3	-58.2	173.6	0	0	0	107.4	R25 A29 I41	R25-I98 HydrophobicContact CB-CD1 4.27Å; R25-I98 HydrophobicContact CB-CG1 4.38Å; R25-I98 HydrophobicContact CB-CG2 4.03Å; R25-I98 WeakPolarHBondContact O-CD1 3.23Å; A29-I98 HydrophobicContact CB-CD1 4.05Å; A29-I98 HydrophobicContact CB-CG1 3.86Å; I41-I98 HydrophobicContact CG2-CB 4.44Å; I41-I98 HydrophobicContact CG2-CG1 3.95Å
99	R	98.2	Very high	96.9	Very high	109 Å²	109	104.3 Å²	104.3	41%	0.411	50%	0.5	S	S	.	.			trans	-85.8	153.9	172.1	-67.2	178.7	-177.5	175.8	1.9	109.4	R25 W40 I41 M42 N97	R25-R99 PolarHBondContact NH1-O 2.9Å; W40-R99 HydrophobicContact CB-CG 4.14Å; W40-R99 VanDerWaalsContact CD1-CZ 3.44Å; W40-R99 VanDerWaalsContact CD2-CZ 3.49Å; W40-R99 VanDerWaalsContact CD2-NH1 3.3Å; W40-R99 VanDerWaalsContact CE2-NH1 3.27Å; I41-R99 PolarHBondContact O-N 2.91Å; M42-R99 HydrophobicContact CB-CB 4.03Å; N97-R99 PolarHBondContact O-N 3.41Å
100	R	85.9	Confident	97.1	Very high	267 Å²	267	103.5 Å²	103.5	100%	1.008	47%	0.474	S	S	*	.			trans	-67.4	0	-178.8	-72.2	-168.1	-176.5	-140.5	1.3	110.3	R25	R25-R100 PolarHBondContact NH1-OXT 2.95Å

Retrieved 100 of 100 residues in 223.7 ms (Link to these results)

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