X5J4E8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4E8_MOUSE|X5J4E8
TELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCASDYSNSAWFAYWGQGTLVTVSA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	T	81.6	Confident	94.3	Very high	124 Å²	124	78.6 Å²	78.6	76%	0.761	45%	0.451	S	S	*	.				0	130.4	0	-58	0	0	0	0	107.9	L106	T1-L106 CarbonylContact C-O 3.57Å; T1-L106 WeakPolarHBondContact CA-O 3.41Å; T1-L106 HydrophobicContact CG2-CB 4.06Å; T1-L106 HydrophobicContact CG2-CD2 3.87Å; T1-L106 HydrophobicContact CG2-CG 3.99Å
2	E	89.2	Confident	94.6	Very high	89 Å²	89	72.7 Å²	72.7	42%	0.416	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	179.3	-63.8	-61	144.5	0	0	108.9	V10 L12 T105 L106 V107 T108	E2-V10 HydrophobicContact CB-CG2 4.13Å; E2-V10 HydrophobicContact CG-CG2 3.99Å; E2-L12 HydrophobicContact CG-CD2 4.35Å; E2-T105 HydrophobicContact CG-CG2 4.24Å; E2-L106 PolarHBondContact N-O 3.23Å; E2-V107 HydrophobicContact CB-CG2 4.26Å; E2-V107 WeakPolarHBondContact O-CA 3.28Å; E2-T108 PolarHBondContact O-N 3.5Å
3	L	94.2	Very high	94.8	Very high	122 Å²	122	73.1 Å²	73.1	64%	0.639	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.6	173.8	-178.4	65.2	0	0	0	108.5	T108 S110	L3-T108 HydrophobicContact CD1-CG2 3.85Å; L3-S110 WeakPolarHBondContact CD1-OG 3.42Å
4	V	95.4	Very high	95	Very high	21 Å²	21	69 Å²	69	13%	0.127	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.1	-173.4	-61.6	0	0	0	0	111.4	A8 L78 V107 T108 V109 S110	V4-A8 HydrophobicContact CB-CB 4.31Å; V4-L78 HydrophobicContact CG2-CD1 3.6Å; V4-V107 HydrophobicContact CG2-CG1 4.24Å; V4-T108 PolarHBondContact N-O 2.64Å; V4-V109 HydrophobicContact CG2-CB 4.41Å; V4-V109 HydrophobicContact CG2-CG1 4.49Å; V4-V109 HydrophobicContact CG2-CG2 3.84Å; V4-V109 WeakPolarHBondContact O-CA 3.28Å; V4-S110 PolarHBondContact O-N 2.71Å; V4-S110 VanDerWaalsContact O-N 3.1Å
5	K	95.9	Very high	95.1	Very high	147 Å²	147	74.5 Å²	74.5	64%	0.639	42%	0.42	S	S	*	.			trans	-79.3	152.7	175.8	-67.5	-177.7	178	-177.2	0	111	A8	K5-A8 WeakPolarHBondContact O-CB 3.45Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	96.9	Very high	94.9	Very high	77 Å²	77	70.6 Å²	70.6	50%	0.5	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	140.5	169.5	-25.1	34.1	0	0	0	111.8	A8 L78 V109 S110	P6-A8 PolarHBondContact O-N 3Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; P6-V109 HydrophobicContact CB-CG1 4.43Å; P6-V109 HydrophobicContact CG-CG1 4.19Å; P6-S110 WeakPolarHBondContact CD-O 3.26Å
7	G	95.6	Very high	94.6	Very high	52 Å²	52	72.1 Å²	72.1	54%	0.536	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-13.2	-176.2	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.96Å
8	A	96.3	Very high	94.1	Very high	35 Å²	35	72.7 Å²	72.7	29%	0.289	44%	0.441	S	S	.	.			trans	-69.4	167.1	176.6	0	0	0	0	0	112.1	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.31Å; K5-A8 WeakPolarHBondContact O-CB 3.45Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.83Å
9	S	96.9	Very high	93.7	Very high	64 Å²	64	71.2 Å²	71.2	45%	0.448	43%	0.427	S	S	.	.			trans	-113.6	147.5	170	-57.9	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; S9-S76 WeakPolarHBondContact OG-CA 3.31Å
10	V	97.1	Very high	93.7	Very high	11 Å²	11	72.2 Å²	72.2	7%	0.067	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144	173.4	74.7	0	0	0	0	109.8	E2 L12 Q74 L75 L78 V107	E2-V10 HydrophobicContact CB-CG2 4.13Å; E2-V10 HydrophobicContact CG-CG2 3.99Å; V10-L12 HydrophobicContact CG1-CD2 4.47Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.11Å; V10-Q74 CarbonylContact O-C 3.44Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 3.1Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-V107 HydrophobicContact CG1-CG1 4.38Å; V10-V107 HydrophobicContact CG1-CG2 4.46Å
11	K	97.8	Very high	93.6	Very high	123 Å²	123	69.1 Å²	69.1	54%	0.535	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.7	174.1	-173.5	177.8	179.8	-178.6	0	109.3	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; K11-M73 WeakPolarHBondContact CA-O 3.2Å
12	L	98	Very high	94.2	Very high	7 Å²	7	66 Å²	66	4%	0.037	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.1	174.7	-55.6	-176.8	0	0	0	109.6	E2 V10 W28 Y72 M73 Y86 T105 V107	E2-L12 HydrophobicContact CG-CD2 4.35Å; V10-L12 HydrophobicContact CG1-CD2 4.47Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.89Å; L12-W28 HydrophobicContact CB-CZ3 3.78Å; L12-W28 HydrophobicContact CD1-CZ3 4.38Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 2.95Å; L12-M73 PolarHBondContact O-N 3Å; L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.28Å; L12-Y86 HydrophobicContact CD1-CG 3.83Å; L12-T105 HydrophobicContact CD2-CG2 4.04Å; L12-V107 HydrophobicContact CD1-CG2 4.2Å; L12-V107 HydrophobicContact CD2-CG2 4.03Å
13	S	97.6	Very high	94.3	Very high	78 Å²	78	63.8 Å²	63.8	55%	0.545	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148	177.6	68.1	0	0	0	0	110.7	A71 Y72	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.14Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	96.9	Very high	94.3	Very high	16 Å²	16	59.7 Å²	59.7	11%	0.108	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	109.5	174.7	-178.5	0	0	0	0	109.1	M26 W28 T70 A71 C88	C14-M26 HydrophobicContact CB-SD 4.48Å; C14-W28 HydrophobicContact CB-CH2 3.87Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; C14-T70 WeakPolarHBondContact O-CA 3Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.82Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.21Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.31Å
15	K	96.3	Very high	94.2	Very high	152 Å²	152	61.3 Å²	61.3	66%	0.661	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	123	179.3	-173	174.7	-177.3	179.4	0	109.7
16	A	92.8	Very high	94.2	Very high	11 Å²	11	54.4 Å²	54.4	9%	0.091	34%	0.34	C	S	.	.			trans	-71.5	145	174.7	0	0	0	0	0	111	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.27Å; A16-Y19 HydrophobicContact CB-CE2 3.73Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.14Å; A16-F21 HydrophobicContact CB-CG 4.05Å; A16-S69 PolarHBondContact N-O 2.92Å
17	S	89	Confident	94.2	Very high	96 Å²	96	51.4 Å²	51.4	67%	0.671	32%	0.319	S	S	*	.			trans	-147.5	144.3	174.3	66.7	0	0	0	0	110	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 WeakPolarHBondContact O-CE1 3.27Å; S17-Y19 PolarHBondContact O-N 3.03Å
18	G	86.8	Confident	94.3	Very high	84 Å²	84	49.2 Å²	49.2	87%	0.866	30%	0.295	S	S	*	.	S	Bend	trans	81.9	3.7	177.5	0	0	0	0	0	116.1
19	Y	86.8	Confident	94.4	Very high	44 Å²	44	47.7 Å²	47.7	17%	0.173	28%	0.282	C	S	.	.	S	Bend	trans	-153.2	164	176.2	59.2	-93.2	0	0	0	112.6	A16 S17 F21 Y24 S90 Y100	A16-Y19 HydrophobicContact CB-CE1 4.27Å; A16-Y19 HydrophobicContact CB-CE2 3.73Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; S17-Y19 WeakPolarHBondContact O-CE1 3.27Å; S17-Y19 PolarHBondContact O-N 3.03Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; Y19-Y24 HydrophobicContact CD2-CD1 4.19Å; Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CE1 4.47Å; Y19-Y24 AromaticContact CD2-CE2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 3.7Å; Y19-Y24 AromaticContact CD2-CG 3.68Å; Y19-Y24 HydrophobicContact CD2-CG 3.68Å; Y19-Y24 HydrophobicContact CE2-CD1 4.23Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 AromaticContact CE2-CG 3.78Å; Y19-Y24 HydrophobicContact CE2-CG 3.78Å; Y19-Y24 HydrophobicContact CG-CD2 4.14Å; Y19-Y24 AromaticContact CG-CE2 3.98Å; Y19-Y24 HydrophobicContact CG-CE2 3.98Å; Y19-S90 WeakPolarHBondContact OH-CB 3.49Å; Y19-S90 PolarHBondContact OH-OG 2.8Å; Y19-Y100 AromaticContact CD1-CD2 3.9Å; Y19-Y100 HydrophobicContact CD1-CD2 3.9Å; Y19-Y100 AromaticContact CD1-CE2 3.8Å; Y19-Y100 HydrophobicContact CD1-CE2 3.8Å; Y19-Y100 HydrophobicContact CD1-CG 4.44Å; Y19-Y100 AromaticContact CE1-CD2 3.79Å; Y19-Y100 HydrophobicContact CE1-CD2 3.79Å; Y19-Y100 HydrophobicContact CE1-CE2 4.18Å; Y19-Y100 HydrophobicContact CE1-CG 4.12Å; Y19-Y100 HydrophobicContact CG-CE2 4.41Å
20	T	91.9	Very high	94.4	Very high	90 Å²	90	44.7 Å²	44.7	55%	0.552	26%	0.261	S	S	*	.			trans	-69.6	101.8	174.3	-55.3	0	0	0	0	110.1	T22 S23 Y24	T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3.11Å; T20-Y24 WeakPolarHBondContact O-CD2 3.32Å
21	F	93.1	Very high	94.5	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-51.2	-37.8	-173.7	178.2	-126.1	0	0	0	114.3	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.08Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.14Å; A16-F21 HydrophobicContact CB-CG 4.05Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.23Å; F21-M26 HydrophobicContact CD2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.36Å; F21-P45 HydrophobicContact CD2-CB 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 4.01Å; F21-P45 HydrophobicContact CE2-CB 4.11Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-V64 HydrophobicContact CE1-CB 4.44Å; F21-V64 HydrophobicContact CZ-CB 4.45Å; F21-V64 HydrophobicContact CZ-CG1 4.1Å; F21-S69 VanDerWaalsContact CD1-CA 3.46Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	93.9	Very high	94.4	Very high	58 Å²	58	44.1 Å²	44.1	36%	0.356	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-75.8	-10.2	-178.8	51.6	0	0	0	0	114.7	T20 S46	T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T22-S46 WeakPolarHBondContact O-CB 3.46Å
23	S	91.9	Very high	94.1	Very high	44 Å²	44	49.4 Å²	49.4	31%	0.308	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-91.2	-3.3	178.1	-55.5	0	0	0	0	113.6	T20 F21 S93	T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3.11Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.23Å; S23-S93 PolarHBondContact O-N 2.93Å
24	Y	92.6	Very high	93.8	Very high	36 Å²	36	50.1 Å²	50.1	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.1	-173	-76.1	-109.2	0	0	0	110.6	Y19 T20 P45 D91 Y92 Y100	Y19-Y24 HydrophobicContact CD2-CD1 4.19Å; Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CE1 4.47Å; Y19-Y24 AromaticContact CD2-CE2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 3.7Å; Y19-Y24 AromaticContact CD2-CG 3.68Å; Y19-Y24 HydrophobicContact CD2-CG 3.68Å; Y19-Y24 HydrophobicContact CE2-CD1 4.23Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 AromaticContact CE2-CG 3.78Å; Y19-Y24 HydrophobicContact CE2-CG 3.78Å; Y19-Y24 HydrophobicContact CG-CD2 4.14Å; Y19-Y24 AromaticContact CG-CE2 3.98Å; Y19-Y24 HydrophobicContact CG-CE2 3.98Å; T20-Y24 WeakPolarHBondContact O-CD2 3.32Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; Y24-D91 CarbonylContact C-O 3.53Å; Y24-D91 WeakPolarHBondContact CA-O 3.42Å; Y24-D91 WeakPolarHBondContact CB-O 3.4Å; Y24-D91 WeakPolarHBondContact CD1-O 3.41Å; Y24-Y92 VanDerWaalsContact CD1-N 3.34Å; Y24-Y92 HydrophobicContact CD2-CD2 4.11Å; Y24-Y92 HydrophobicContact CE1-CD2 4.27Å; Y24-Y92 AromaticContact CE2-CD2 3.57Å; Y24-Y92 HydrophobicContact CE2-CD2 3.57Å; Y24-Y92 HydrophobicContact CE2-CE2 4.33Å; Y24-Y92 AromaticContact CZ-CD2 3.64Å; Y24-Y100 HydrophobicContact CE1-CD2 4.28Å; Y24-Y100 AromaticContact CE1-CE2 3.92Å; Y24-Y100 HydrophobicContact CE1-CE2 3.92Å
25	W	94.5	Very high	93.7	Very high	54 Å²	54	54 Å²	54	21%	0.205	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	148	163.1	-69.8	80.2	0	0	0	109.6	N42 N44 N51 S90 D91	W25-N42 HydrophobicContact CE3-CB 4.18Å; W25-N42 VanDerWaalsContact CE3-CG 3.47Å; W25-N42 VanDerWaalsContact CZ3-OD1 3.29Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.43Å; W25-N44 HydrophobicContact CD2-CB 3.84Å; W25-N44 HydrophobicContact CE3-CB 3.64Å; W25-N44 HydrophobicContact CH2-CB 3.63Å; W25-N44 HydrophobicContact CZ2-CB 3.81Å; W25-N44 WeakPolarHBondContact CZ2-ND2 3.21Å; W25-N44 HydrophobicContact CZ3-CB 3.55Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.22Å; W25-S90 VanDerWaalsContact O-CA 3.27Å; W25-S90 WeakPolarHBondContact O-CA 3.41Å; W25-S90 VanDerWaalsContact O-CB 3.31Å; W25-S90 WeakPolarHBondContact O-CB 3.4Å; W25-D91 WeakPolarHBondContact CB-OD1 3.49Å; W25-D91 PolarHBondContact N-O 3.47Å; W25-D91 PolarHBondContact O-N 2.83Å
26	M	96	Very high	93.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119	170.9	-172.7	64.1	62.1	0	0	109.8	C14 F21 N42 I43 A71 C88	C14-M26 HydrophobicContact CB-SD 4.48Å; F21-M26 HydrophobicContact CD2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.44Å; M26-N42 WeakPolarHBondContact O-CB 3.37Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.66Å; M26-I43 PolarHBondContact O-N 2.89Å; M26-A71 HydrophobicContact CB-CB 3.97Å; M26-A71 HydrophobicContact CG-CB 3.53Å; M26-C88 HydrophobicContact SD-CB 3.87Å
27	H	96.8	Very high	93.7	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.065	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.5	-178.9	-70.9	-111.8	0	0	0	110.6	W39 G41 N42 C88 A89 D91 F98	H27-W39 AromaticContact CE1-NE1 3.92Å; H27-W39 AromaticContact CG-NE1 3.85Å; H27-W39 AromaticContact ND1-CD1 3.75Å; H27-W39 AromaticContact ND1-CE2 3.9Å; H27-W39 AromaticContact ND1-NE1 3Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; H27-G41 WeakPolarHBondContact CA-O 3.09Å; H27-N42 HydrophobicContact CB-CB 4.49Å; H27-N42 PolarHBondContact CE1-ND2 3Å; H27-N42 PolarHBondContact NE2-ND2 2.82Å; H27-C88 CarbonylContact O-C 3.5Å; H27-C88 WeakPolarHBondContact O-CA 3.48Å; H27-A89 HydrophobicContact CB-CB 4.34Å; H27-A89 WeakPolarHBondContact CB-O 3.24Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 3.38Å; H27-D91 IonicContact CD2-OD1 3.1Å; H27-D91 PolarHBondContact CD2-OD1 3.46Å; H27-D91 IonicContact NE2-OD1 2.96Å; H27-D91 PolarHBondContact NE2-OD1 2.92Å; H27-F98 HydrophobicContact CB-CE1 3.99Å; H27-F98 HydrophobicContact CB-CZ 4.27Å; H27-F98 AromaticContact CD2-CE1 3.66Å; H27-F98 AromaticContact CE1-CE1 3.48Å; H27-F98 VanDerWaalsContact CE1-CE1 3.48Å; H27-F98 WeakPolarHBondContact CE1-CE1 3.47Å; H27-F98 AromaticContact CE1-CZ 3.93Å; H27-F98 AromaticContact CG-CE1 3.34Å; H27-F98 AromaticContact CG-CZ 3.84Å; H27-F98 AromaticContact ND1-CE1 3.22Å; H27-F98 WeakPolarHBondContact ND1-CE1 3.37Å; H27-F98 AromaticContact ND1-CZ 3.41Å; H27-F98 WeakPolarHBondContact ND1-CZ 3.33Å; H27-F98 AromaticContact NE2-CE1 3.82Å
28	W	98.1	Very high	94.1	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.019	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.5	171.7	-68.6	92	0	0	0	109.9	L12 C14 I40 G41 L62 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.89Å; L12-W28 HydrophobicContact CB-CZ3 3.78Å; L12-W28 HydrophobicContact CD1-CZ3 4.38Å; C14-W28 HydrophobicContact CB-CH2 3.87Å; C14-W28 HydrophobicContact CB-CZ2 4.03Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 3.12Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-M73 HydrophobicContact CB-SD 3.8Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.72Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4Å; W28-M73 HydrophobicContact CG-CG 4.48Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; W28-Y87 WeakPolarHBondContact CA-O 3.29Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	97.9	Very high	94.6	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.5	-173.7	-175.4	0	0	0	0	109.3	L37 E38 Y86 Y87 W101	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.45Å; V29-Y87 PolarHBondContact N-O 3.12Å; V29-Y87 PolarHBondContact O-N 3.14Å; V29-W101 HydrophobicContact CB-CH2 4.29Å; V29-W101 HydrophobicContact CB-CZ3 4.08Å; V29-W101 HydrophobicContact CG1-CH2 4.25Å; V29-W101 HydrophobicContact CG1-CZ3 4.3Å; V29-W101 HydrophobicContact CG2-CH2 3.92Å; V29-W101 HydrophobicContact CG2-CZ3 4.05Å
30	K	97.6	Very high	95.1	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.8	175.2	-178.3	-178.9	-178.7	-178.2	0	109.8	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.42Å; K30-E38 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 3.87Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.15Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.91Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.81Å
31	Q	97.7	Very high	95.4	Very high	65 Å²	65	43.9 Å²	43.9	30%	0.304	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.3	170.3	-165	-179.1	25	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.93Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; Q31-A84 WeakPolarHBondContact O-CA 3.14Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.11Å; Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 2.95Å
32	R	95.4	Very high	95.6	Very high	56 Å²	56	44.3 Å²	44.3	21%	0.211	26%	0.26	C	S	.	.			trans	-83.1	151.3	169.9	-60.5	-165.8	-170.5	86.6	1.6	110.3	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.15Å; R32-G34 PolarHBondContact O-N 3.05Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 3.98Å; R32-Q35 PolarHBondContact O-N 2.93Å; R32-E38 IonicContact CZ-OE1 2.66Å; R32-E38 IonicContact NH1-OE1 3.8Å; R32-E38 PolarHBondContact NH1-OE1 2.95Å; R32-E38 IonicContact NH1-OE2 3.42Å; R32-E38 IonicContact NH2-OE1 3.59Å; R32-E81 PolarHBondContact NE-O 3.06Å; R32-A84 HydrophobicContact CG-CB 4.31Å
33	P	91.9	Very high	95.7	Very high	118 Å²	118	41.7 Å²	41.7	77%	0.766	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	126.6	173	-25.5	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.96Å
34	G	92.7	Very high	95.9	Very high	94 Å²	94	40.4 Å²	40.4	97%	0.969	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	5.5	-179.8	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 3.05Å
35	Q	93.9	Very high	96.1	Very high	98 Å²	98	38.7 Å²	38.7	46%	0.458	23%	0.227	S	C	.	.	S	Bend	trans	-112.4	161.3	176.3	-58.7	-171.7	-0.1	0	0	111.8	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 3.98Å; R32-Q35 PolarHBondContact O-N 2.93Å; P33-Q35 PolarHBondContact O-N 2.96Å
36	G	94.1	Very high	96.1	Very high	54 Å²	54	38.6 Å²	38.6	56%	0.557	23%	0.234	S	C	*	.			trans	-68.1	174.7	172.8	0	0	0	0	0	113.1
37	L	95.8	Very high	96.1	Very high	96 Å²	96	43.9 Å²	43.9	50%	0.503	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.4	174.9	-65.8	171.2	0	0	0	110.5	V29 Q31 W101	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 3.93Å; Q31-L37 HydrophobicContact CG-CD2 4.03Å; L37-W101 HydrophobicContact CD1-CH2 3.9Å; L37-W101 HydrophobicContact CD1-CZ2 4.49Å
38	E	97	Very high	96	Very high	36 Å²	36	44.9 Å²	44.9	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.1	174.8	-66.4	-172.4	-84.2	0	0	109.9	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.42Å; K30-E38 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact CZ-OE1 2.66Å; R32-E38 IonicContact NH1-OE1 3.8Å; R32-E38 PolarHBondContact NH1-OE1 2.95Å; R32-E38 IonicContact NH1-OE2 3.42Å; R32-E38 IonicContact NH2-OE1 3.59Å; E38-I40 PolarHBondContact O-N 3.36Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.33Å
39	W	97.1	Very high	95.9	Very high	78 Å²	78	46 Å²	46	30%	0.295	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.2	175	-178.5	73.2	0	0	0	110.8	H27 G41 N42 N51 N53	H27-W39 AromaticContact CE1-NE1 3.92Å; H27-W39 AromaticContact CG-NE1 3.85Å; H27-W39 AromaticContact ND1-CD1 3.75Å; H27-W39 AromaticContact ND1-CE2 3.9Å; H27-W39 AromaticContact ND1-NE1 3Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-G41 VanDerWaalsContact NE1-O 3.14Å; W39-N42 HydrophobicContact CZ2-CB 4Å; W39-N51 HydrophobicContact CH2-CB 4.01Å; W39-N53 HydrophobicContact CE3-CB 3.9Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.84Å
40	I	98.1	Very high	95.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.8	-179	-70.2	161.1	0	0	0	110.8	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.38Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.87Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; E38-I40 PolarHBondContact O-N 3.36Å; I40-N53 PolarHBondContact O-N 2.87Å; I40-F56 HydrophobicContact CB-CB 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.98Å; I40-F56 HydrophobicContact CG1-CD2 4Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 3.95Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 4.04Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; I40-M73 HydrophobicContact CD1-SD 3.82Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å
41	G	97.5	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	175.5	-171.7	0	0	0	0	0	112	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.09Å; W28-G41 PolarHBondContact N-O 3.12Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-G41 VanDerWaalsContact NE1-O 3.14Å; G41-N51 CarbonylContact C-O 3.55Å; G41-N51 WeakPolarHBondContact CA-O 3.29Å
42	N	96.8	Very high	95.9	Very high	16 Å²	16	51.8 Å²	51.8	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.9	171.2	68.9	18.3	0	0	0	112.1	W25 M26 H27 W39 T50 N51 L62	W25-N42 HydrophobicContact CE3-CB 4.18Å; W25-N42 VanDerWaalsContact CE3-CG 3.47Å; W25-N42 VanDerWaalsContact CZ3-OD1 3.29Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.43Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.44Å; M26-N42 WeakPolarHBondContact O-CB 3.37Å; H27-N42 HydrophobicContact CB-CB 4.49Å; H27-N42 PolarHBondContact CE1-ND2 3Å; H27-N42 PolarHBondContact NE2-ND2 2.82Å; W39-N42 HydrophobicContact CZ2-CB 4Å; N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.23Å; N42-N51 PolarHBondContact N-O 3.44Å; N42-N51 PolarHBondContact O-N 3.19Å; N42-N51 WeakPolarHBondContact OD1-CB 3.48Å; N42-N51 PolarHBondContact OD1-N 2.9Å; N42-N51 PolarHBondContact OD1-ND2 2.84Å; N42-L62 WeakPolarHBondContact O-CD1 3.43Å
43	I	97.4	Very high	96	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.4	174.1	-174.4	157.8	0	0	0	109.5	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 2.66Å; M26-I43 PolarHBondContact O-N 2.89Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.11Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.15Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; I43-V64 HydrophobicContact CB-CG1 4.46Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.23Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.74Å; I43-A71 HydrophobicContact CG2-CB 4.5Å
44	N	95.9	Very high	96.2	Very high	17 Å²	17	52 Å²	52	9%	0.091	32%	0.316	C	S	.	.			trans	-87	112.1	171.2	-174	-28.5	0	0	0	109.1	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.84Å; W25-N44 HydrophobicContact CE3-CB 3.64Å; W25-N44 HydrophobicContact CH2-CB 3.63Å; W25-N44 HydrophobicContact CZ2-CB 3.81Å; W25-N44 WeakPolarHBondContact CZ2-ND2 3.21Å; W25-N44 HydrophobicContact CZ3-CB 3.55Å; N44-S46 VanDerWaalsContact CG-OG 3.27Å; N44-S46 PolarHBondContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 3.35Å; N44-S46 VanDerWaalsContact OD1-CB 3.28Å; N44-S46 WeakPolarHBondContact OD1-CB 3.41Å; N44-S46 PolarHBondContact OD1-N 2.99Å; N44-S46 PolarHBondContact OD1-OG 3Å; N44-N47 WeakPolarHBondContact CB-OD1 3.26Å; N44-N47 PolarHBondContact O-N 2.89Å; N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.42Å; N44-G48 PolarHBondContact O-N 2.54Å; N44-G49 PolarHBondContact N-O 2.76Å
45	P	95.8	Very high	96.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	-179.8	-17.3	33.2	0	0	0	114.1	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.36Å; F21-P45 HydrophobicContact CD2-CB 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.49Å; F21-P45 VanDerWaalsContact CE1-CB 3.49Å; F21-P45 HydrophobicContact CE1-CG 4.01Å; F21-P45 HydrophobicContact CE2-CB 4.11Å; F21-P45 HydrophobicContact CE2-CG 3.68Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.42Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; P45-K66 WeakPolarHBondContact O-CE 3.45Å
46	S	94.9	Very high	96.4	Very high	52 Å²	52	50.7 Å²	50.7	36%	0.364	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-44.7	176.5	70	0	0	0	0	112.7	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.46Å; N44-S46 VanDerWaalsContact CG-OG 3.27Å; N44-S46 PolarHBondContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 3.35Å; N44-S46 VanDerWaalsContact OD1-CB 3.28Å; N44-S46 WeakPolarHBondContact OD1-CB 3.41Å; N44-S46 PolarHBondContact OD1-N 2.99Å; N44-S46 PolarHBondContact OD1-OG 3Å; S46-K66 PolarHBondContact O-NZ 2.78Å
47	N	94.9	Very high	96.4	Very high	114 Å²	114	53.5 Å²	53.5	61%	0.61	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-4.6	-170.3	64.6	14.6	0	0	0	114.1	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.26Å; N44-N47 PolarHBondContact O-N 2.89Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.21Å; N47-G49 PolarHBondContact OD1-N 3.15Å
48	G	95.5	Very high	96.4	Very high	35 Å²	35	54.4 Å²	54.4	36%	0.361	29%	0.293	S	S	.	.			trans	77.3	6.9	-179.6	0	0	0	0	0	114.5	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.26Å; N44-G48 WeakPolarHBondContact O-CA 3.42Å; N44-G48 PolarHBondContact O-N 2.54Å; G48-T50 PolarHBondContact O-N 2.82Å
49	G	96.6	Very high	96.3	Very high	29 Å²	29	54.6 Å²	54.6	30%	0.299	29%	0.293	S	S	.	.			trans	-60.3	134.7	176.1	0	0	0	0	0	110.9	I43 N44 N47	I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.11Å; N44-G49 PolarHBondContact N-O 2.76Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 3.21Å; N47-G49 PolarHBondContact OD1-N 3.15Å
50	T	97.6	Very high	96.3	Very high	57 Å²	57	51 Å²	51	35%	0.35	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.5	-177.4	49.8	0	0	0	0	111.3	N42 I43 G48 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.23Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.73Å; G48-T50 PolarHBondContact O-N 2.82Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.02Å; T50-L62 HydrophobicContact CG2-CB 4.05Å
51	N	97	Very high	96.4	Very high	81 Å²	81	54.6 Å²	54.6	43%	0.433	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.7	166.8	-56.1	-72.5	0	0	0	108.8	W25 W39 G41 N42	W25-N51 WeakPolarHBondContact CZ3-ND2 3.22Å; W39-N51 HydrophobicContact CH2-CB 4.01Å; G41-N51 CarbonylContact C-O 3.55Å; G41-N51 WeakPolarHBondContact CA-O 3.29Å; N42-N51 PolarHBondContact N-O 3.44Å; N42-N51 PolarHBondContact O-N 3.19Å; N42-N51 WeakPolarHBondContact OD1-CB 3.48Å; N42-N51 PolarHBondContact OD1-N 2.9Å; N42-N51 PolarHBondContact OD1-ND2 2.84Å
52	Y	98.1	Very high	96.4	Very high	53 Å²	53	55 Å²	55	21%	0.208	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.7	-179.3	-66.8	-88.9	0	0	0	110.3	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.02Å; Y52-K57 HydrophobicContact CD2-CG 4.44Å; Y52-K57 HydrophobicContact CG-CB 4.46Å; Y52-K57 HydrophobicContact CG-CG 4.28Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.37Å
53	N	97.3	Very high	96.5	Very high	47 Å²	47	57.1 Å²	57.1	25%	0.251	32%	0.318	S	S	.	.			trans	-72.8	131.1	154.7	-179.5	-23.6	0	0	0	108.2	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.9Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.84Å; I40-N53 PolarHBondContact O-N 2.87Å; N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact OD1-N 3.15Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.92Å; N53-K57 PolarHBondContact O-N 3Å
54	E	96.3	Very high	96.5	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.7	-176.1	-70	-61.5	148.6	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.88Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.87Å; E54-K57 VanDerWaalsContact OE2-CD 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.34Å; E54-K57 IonicContact OE2-NZ 3.42Å; E54-K57 PolarHBondContact OE2-NZ 3.36Å
55	K	94.4	Very high	96.6	Very high	153 Å²	153	60.6 Å²	60.6	67%	0.665	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.3	175	-69.1	-176.9	179	-179	0	114.2	N53	N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact OD1-N 3.15Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	95.9	Very high	96.5	Very high	12 Å²	12	65.9 Å²	65.9	5%	0.053	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-7.8	-172.4	-61.4	-81.4	0	0	0	113.5	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.15Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.33Å; I40-F56 HydrophobicContact CB-CB 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 3.98Å; I40-F56 HydrophobicContact CG1-CD2 4Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.07Å; I40-F56 HydrophobicContact CG1-CG 3.95Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.79Å; I40-F56 HydrophobicContact CG2-CD2 4.5Å; I40-F56 HydrophobicContact CG2-CG 4.04Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.92Å; E54-F56 PolarHBondContact O-N 2.88Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.95Å; F56-K59 PolarHBondContact O-N 3.14Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.3Å
57	K	94.6	Very high	96.5	Very high	113 Å²	113	68.7 Å²	68.7	49%	0.491	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.2	-173.2	-168.6	177.5	-170.3	174	0	114.3	Y52 N53 E54 K59	Y52-K57 HydrophobicContact CD2-CG 4.44Å; Y52-K57 HydrophobicContact CG-CB 4.46Å; Y52-K57 HydrophobicContact CG-CG 4.28Å; N53-K57 PolarHBondContact O-N 3Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.87Å; E54-K57 VanDerWaalsContact OE2-CD 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.34Å; E54-K57 IonicContact OE2-NZ 3.42Å; E54-K57 PolarHBondContact OE2-NZ 3.36Å; K57-K59 VanDerWaalsContact C-N 3.34Å
58	S	95.1	Very high	96.6	Very high	114 Å²	114	65 Å²	65	80%	0.797	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.1	176.1	58.8	0	0	0	0	113.9	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.95Å
59	K	95.8	Very high	96.6	Very high	40 Å²	40	65.4 Å²	65.4	17%	0.174	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-30.1	-168.1	-156.7	171.4	-164.6	171.1	0	113.7	F56 K57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.14Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; K59-S76 WeakPolarHBondContact CE-O 3.35Å; K59-S76 WeakPolarHBondContact CG-O 3.27Å; K59-S76 PolarHBondContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 2.91Å; K59-S77 WeakPolarHBondContact CE-O 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.89Å; K59-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 IonicContact NZ-OD2 2.54Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60	A	97.9	Very high	96.7	Very high	3 Å²	3	64.4 Å²	64.4	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.6	-177.1	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.3Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.35Å; A60-Q74 CarbonylContact C-O 3.44Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; A60-L75 HydrophobicContact CB-CD2 3.88Å
61	T	98.4	Very high	96.7	Very high	75 Å²	75	61.7 Å²	61.7	46%	0.46	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.9	170.6	-59.9	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.47Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.95Å
62	L	98.6	Very high	96.7	Very high	9 Å²	9	60.3 Å²	60.3	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.3	179	-52.4	-175.5	0	0	0	110.8	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; N42-L62 WeakPolarHBondContact O-CD1 3.43Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.15Å; I43-L62 HydrophobicContact CG2-CB 4.39Å; T50-L62 HydrophobicContact CG2-CB 4.05Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.37Å; L62-Y72 WeakPolarHBondContact CA-O 3.41Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.24Å
63	T	98.3	Very high	96.8	Very high	61 Å²	61	57.8 Å²	57.8	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163	175.9	56.8	0	0	0	0	111	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-Y72 PolarHBondContact N-O 2.75Å; T63-Y72 PolarHBondContact O-N 3.45Å
64	V	97.8	Very high	96.8	Very high	38 Å²	38	59.7 Å²	59.7	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144	177.6	-70.6	0	0	0	0	110.7	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.44Å; F21-V64 HydrophobicContact CZ-CB 4.45Å; F21-V64 HydrophobicContact CZ-CG1 4.1Å; I43-V64 HydrophobicContact CB-CG1 4.46Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.23Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.74Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; V64-A71 HydrophobicContact CG1-CB 4.15Å
65	D	97.1	Very high	96.9	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.3	164.3	174.7	9	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.89Å; D65-S67 WeakPolarHBondContact OD1-CB 3.29Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.23Å; D65-S68 WeakPolarHBondContact OD2-CB 3.25Å; D65-S68 PolarHBondContact OD2-OG 3.2Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.13Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 2.03Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å
66	K	95	Very high	97	Very high	111 Å²	111	47.9 Å²	47.9	48%	0.483	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.2	-178.2	-56.6	-175.9	-165.6	-172.1	0	111.7	P45 S46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.45Å; S46-K66 PolarHBondContact O-NZ 2.78Å; K66-S68 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-N 3.42Å
67	S	94.2	Very high	97	Very high	112 Å²	112	51.1 Å²	51.1	78%	0.783	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.6	-176.1	72.3	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.89Å; D65-S67 WeakPolarHBondContact OD1-CB 3.29Å; D65-S67 PolarHBondContact OD1-N 3.04Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.23Å
68	S	96.3	Very high	97.1	Very high	36 Å²	36	45.8 Å²	45.8	25%	0.252	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-0.3	177.6	65.3	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact OD2-CB 3.25Å; D65-S68 PolarHBondContact OD2-OG 3.2Å; K66-S68 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 3.2Å; S68-T70 VanDerWaalsContact O-OG1 3.12Å; S68-T70 WeakPolarHBondContact OG-CB 2.97Å; S68-T70 PolarHBondContact OG-OG1 2.98Å
69	S	96.5	Very high	97.1	Very high	43 Å²	43	43 Å²	43	30%	0.301	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.8	-172.5	-63.2	0	0	0	0	113.1	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.92Å; F21-S69 VanDerWaalsContact CD1-CA 3.46Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.13Å; K66-S69 PolarHBondContact O-N 3.42Å
70	T	97.9	Very high	97.1	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.8	-174.4	-53.4	0	0	0	0	110.8	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 2.03Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 3.2Å; S68-T70 VanDerWaalsContact O-OG1 3.12Å; S68-T70 WeakPolarHBondContact OG-CB 2.97Å; S68-T70 PolarHBondContact OG-OG1 2.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	A	97.9	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	151.2	167.5	0	0	0	0	0	110.2	S13 C14 F21 M26 I43 V64	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.14Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 2.82Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 3.97Å; M26-A71 HydrophobicContact CG-CB 3.53Å; I43-A71 HydrophobicContact CG2-CB 4.5Å; V64-A71 HydrophobicContact CG1-CB 4.15Å
72	Y	98.4	Very high	96.8	Very high	52 Å²	52	48.2 Å²	48.2	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.6	178.8	-56.3	-88.5	0	0	0	110.9	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.41Å; T63-Y72 PolarHBondContact N-O 2.75Å; T63-Y72 PolarHBondContact O-N 3.45Å; D65-Y72 HydrophobicContact CB-CE2 3.89Å; T70-Y72 HydrophobicContact CG2-CD1 4.33Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	M	98.4	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.4	166.1	176.2	179.1	68.2	0	0	108.5	K11 L12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.2Å; L12-M73 HydrophobicContact CD1-CE 3.74Å; L12-M73 PolarHBondContact N-O 2.95Å; L12-M73 PolarHBondContact O-N 3Å; W28-M73 HydrophobicContact CB-SD 3.8Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.19Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.72Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4Å; W28-M73 HydrophobicContact CG-CG 4.48Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; I40-M73 HydrophobicContact CD1-CE 4.12Å; I40-M73 HydrophobicContact CD1-SD 3.82Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.47Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.24Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.25Å; M73-Y86 HydrophobicContact CE-CD1 3.66Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.32Å
74	Q	98.3	Very high	96.7	Very high	86 Å²	86	46.6 Å²	46.6	40%	0.402	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.1	168.8	-177.6	172.6	-8.9	0	0	108.9	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.44Å; V10-Q74 WeakPolarHBondContact O-CA 3.36Å; A60-Q74 CarbonylContact C-O 3.44Å; A60-Q74 WeakPolarHBondContact CA-O 3.22Å; T61-Q74 PolarHBondContact N-O 2.82Å; T61-Q74 PolarHBondContact O-N 2.95Å
75	L	97.7	Very high	96.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.1	170.8	-64	166.2	0	0	0	108.6	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.25Å; V10-L75 PolarHBondContact N-O 3.28Å; V10-L75 PolarHBondContact O-N 3.1Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.88Å; M73-L75 HydrophobicContact CE-CD1 3.81Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 3.94Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.25Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.47Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.11Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.23Å
76	S	97.2	Very high	96.7	Very high	35 Å²	35	44.1 Å²	44.1	25%	0.245	26%	0.257	C	S	.	.			trans	-107.4	157.8	179.1	56	0	0	0	0	112.8	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.31Å; K59-S76 WeakPolarHBondContact CE-O 3.35Å; K59-S76 WeakPolarHBondContact CG-O 3.27Å; K59-S76 PolarHBondContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 2.91Å; S76-L78 PolarHBondContact O-N 3.09Å
77	S	96.1	Very high	96.9	Very high	80 Å²	80	41 Å²	41	56%	0.559	24%	0.243	S	C	*	.	S	Bend	trans	51.9	52.1	172.5	-54.1	0	0	0	0	112.5	A8 K59	A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 WeakPolarHBondContact CE-O 3.48Å
78	L	96.4	Very high	97	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.21	C	C	.	.			trans	-65	140.6	-174.1	-70.8	174.7	0	0	0	112.2	V4 P6 G7 A8 V10 L75 S76 D82 V107 V109	V4-L78 HydrophobicContact CG2-CD1 3.6Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; G7-L78 PolarHBondContact N-O 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.45Å; A8-L78 WeakPolarHBondContact O-CG 3.41Å; A8-L78 PolarHBondContact O-N 2.83Å; V10-L78 HydrophobicContact CB-CD1 4.05Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.47Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 PolarHBondContact O-N 3.09Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.2Å; L78-V107 HydrophobicContact CD1-CG1 4.47Å; L78-V109 HydrophobicContact CB-CG1 4.26Å; L78-V109 HydrophobicContact CB-CG2 3.94Å; L78-V109 HydrophobicContact CD1-CG2 4.32Å
79	T	96	Very high	97	Very high	56 Å²	56	34.8 Å²	34.8	34%	0.344	20%	0.199	S	C	.	.			trans	-120.5	168.1	175.1	65.6	0	0	0	0	109.8	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.1Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 3.24Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; T79-V109 WeakPolarHBondContact O-CB 3.32Å; T79-V109 WeakPolarHBondContact O-CG2 3.31Å
80	S	94.7	Very high	96.8	Very high	86 Å²	86	32.8 Å²	32.8	60%	0.601	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-53.8	-32.6	177	50.7	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.88Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 PolarHBondContact O-OG 3Å
81	E	93.4	Very high	96.4	Very high	135 Å²	135	33.3 Å²	33.3	63%	0.631	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-67.3	-13.2	177.4	-60.2	-176.5	175.5	0	0	114.6	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 3.06Å; T79-E81 PolarHBondContact O-N 3.1Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	95.8	Very high	95.8	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.4	-7.9	172.7	-58.2	-49.6	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V109	K30-D82 IonicContact NZ-OD1 3.91Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 2.89Å; K59-D82 PolarHBondContact NZ-OD1 2.87Å; K59-D82 IonicContact NZ-OD2 2.54Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.2Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 3.24Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V109 HydrophobicContact CB-CG2 4.23Å
83	S	97.3	Very high	94.5	Very high	34 Å²	34	39 Å²	39	24%	0.238	22%	0.217	C	C	.	.			trans	-62.7	112.9	174.9	-56.2	0	0	0	0	110.2	S80 E81 V107 V109	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 PolarHBondContact O-OG 3Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-V107 VanDerWaalsContact CA-O 3.27Å; S83-V107 WeakPolarHBondContact CA-O 3.08Å; S83-V109 PolarHBondContact OG-N 2.96Å
84	A	97.7	Very high	93	Very high	2 Å²	2	47 Å²	47	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	166.3	-170	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 V107	K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.14Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.11Å; R32-A84 HydrophobicContact CG-CB 4.31Å; D82-A84 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.48Å; A84-V107 PolarHBondContact N-O 2.79Å; A84-V107 PolarHBondContact O-N 3.21Å
85	V	98.3	Very high	91.7	Very high	37 Å²	37	45 Å²	45	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.3	162.6	-170.8	0	0	0	0	108.5	Q31 Y87 L106	Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.88Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.26Å; V85-L106 HydrophobicContact CG2-CD1 4.15Å
86	Y	98.3	Very high	90.3	Very high	4 Å²	4	49 Å²	49	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.3	178	-70.5	-91.9	0	0	0	109.7	L12 V29 K30 I40 M73 L75 D82 A84 G104 T105 V107	L12-Y86 VanDerWaalsContact CD1-CB 3.46Å; L12-Y86 HydrophobicContact CD1-CD1 4.44Å; L12-Y86 HydrophobicContact CD1-CD2 4.28Å; L12-Y86 HydrophobicContact CD1-CG 3.83Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.45Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.01Å; K30-Y86 HydrophobicContact CG-CD1 4.31Å; K30-Y86 HydrophobicContact CG-CE1 3.81Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CD1 3.66Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.11Å; L75-Y86 HydrophobicContact CD1-CE1 3.48Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.48Å; L75-Y86 HydrophobicContact CD1-CE2 4.23Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.48Å; Y86-G104 CarbonylContact O-C 3.57Å; Y86-G104 VanDerWaalsContact O-CA 3.26Å; Y86-G104 WeakPolarHBondContact O-CA 3.44Å; Y86-T105 PolarHBondContact N-O 3.42Å; Y86-T105 PolarHBondContact O-N 2.6Å; Y86-V107 HydrophobicContact CD2-CB 3.91Å; Y86-V107 HydrophobicContact CD2-CG2 3.65Å; Y86-V107 HydrophobicContact CE2-CB 3.81Å; Y86-V107 HydrophobicContact CE2-CG2 3.97Å
87	Y	97.9	Very high	89.1	Confident	46 Å²	46	57.5 Å²	57.5	18%	0.18	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.4	-179.8	-59.5	-87.5	0	0	0	109.9	W28 V29 Q31 V85 W101 G104	W28-Y87 WeakPolarHBondContact CA-O 3.29Å; V29-Y87 PolarHBondContact N-O 3.12Å; V29-Y87 PolarHBondContact O-N 3.14Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 2.95Å; V85-Y87 HydrophobicContact CB-CE2 3.74Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.88Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.26Å; Y87-W101 HydrophobicContact CD1-CE3 4.5Å; Y87-W101 HydrophobicContact CG-CE3 4.26Å; Y87-W101 HydrophobicContact CG-CZ3 4.24Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å
88	C	96.8	Very high	88.1	Confident	15 Å²	15	57.4 Å²	57.4	10%	0.101	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	149.2	156.1	61.6	0	0	0	0	109.4	C14 M26 H27 W28 G102	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.21Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.31Å; M26-C88 HydrophobicContact SD-CB 3.87Å; H27-C88 CarbonylContact O-C 3.5Å; H27-C88 WeakPolarHBondContact O-CA 3.48Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å; C88-G102 PolarHBondContact O-N 3.47Å
89	A	95.3	Very high	87.3	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.9	173.2	0	0	0	0	0	109.8	H27 F98 Y100 W101	H27-A89 HydrophobicContact CB-CB 4.34Å; H27-A89 WeakPolarHBondContact CB-O 3.24Å; H27-A89 PolarHBondContact N-O 2.8Å; H27-A89 PolarHBondContact O-N 3.38Å; A89-F98 HydrophobicContact CB-CB 4.13Å; A89-F98 HydrophobicContact CB-CD1 4.29Å; A89-F98 HydrophobicContact CB-CD2 4.43Å; A89-F98 HydrophobicContact CB-CG 4.02Å; A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.44Å; A89-Y100 WeakPolarHBondContact CB-O 3.49Å; A89-W101 HydrophobicContact CB-CD2 3.7Å; A89-W101 HydrophobicContact CB-CE3 3.9Å; A89-W101 HydrophobicContact CB-CG 4.15Å; A89-W101 HydrophobicContact CB-CH2 4.38Å; A89-W101 HydrophobicContact CB-CZ2 4.23Å; A89-W101 HydrophobicContact CB-CZ3 4.23Å
90	S	93.1	Very high	86.9	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.5	176.3	62.3	0	0	0	0	112.5	Y19 W25 F98 A99 Y100	Y19-S90 WeakPolarHBondContact OH-CB 3.49Å; Y19-S90 PolarHBondContact OH-OG 2.8Å; W25-S90 VanDerWaalsContact O-CA 3.27Å; W25-S90 WeakPolarHBondContact O-CA 3.41Å; W25-S90 VanDerWaalsContact O-CB 3.31Å; W25-S90 WeakPolarHBondContact O-CB 3.4Å; S90-F98 CarbonylContact O-C 3.54Å; S90-A99 PolarHBondContact O-N 2.61Å; S90-Y100 PolarHBondContact N-O 3.09Å; S90-Y100 PolarHBondContact O-N 2.96Å
91	D	89.8	Confident	86.9	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.107	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146	177.6	67.1	-52.2	0	0	0	109.6	Y24 W25 H27 S95 W97 F98	Y24-D91 CarbonylContact C-O 3.53Å; Y24-D91 WeakPolarHBondContact CA-O 3.42Å; Y24-D91 WeakPolarHBondContact CB-O 3.4Å; Y24-D91 WeakPolarHBondContact CD1-O 3.41Å; W25-D91 WeakPolarHBondContact CB-OD1 3.49Å; W25-D91 PolarHBondContact N-O 3.47Å; W25-D91 PolarHBondContact O-N 2.83Å; H27-D91 IonicContact CD2-OD1 3.1Å; H27-D91 PolarHBondContact CD2-OD1 3.46Å; H27-D91 IonicContact NE2-OD1 2.96Å; H27-D91 PolarHBondContact NE2-OD1 2.92Å; D91-S95 WeakPolarHBondContact CB-OG 3.33Å; D91-W97 WeakPolarHBondContact CB-O 3.35Å; D91-F98 HydrophobicContact CB-CD1 4.04Å
92	Y	85.5	Confident	86.9	Confident	125 Å²	125	58.7 Å²	58.7	49%	0.49	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.3	177	-175.2	-105.3	0	0	0	108.8	Y24 N94 S95	Y24-Y92 VanDerWaalsContact CD1-N 3.34Å; Y24-Y92 HydrophobicContact CD2-CD2 4.11Å; Y24-Y92 HydrophobicContact CE1-CD2 4.27Å; Y24-Y92 AromaticContact CE2-CD2 3.57Å; Y24-Y92 HydrophobicContact CE2-CD2 3.57Å; Y24-Y92 HydrophobicContact CE2-CE2 4.33Å; Y24-Y92 AromaticContact CZ-CD2 3.64Å; Y92-N94 PolarHBondContact O-N 3.09Å; Y92-N94 VanDerWaalsContact O-N 3.09Å; Y92-S95 PolarHBondContact N-OG 2.99Å; Y92-S95 VanDerWaalsContact O-CB 3.31Å; Y92-S95 WeakPolarHBondContact O-CB 2.85Å; Y92-S95 PolarHBondContact O-N 3.35Å; Y92-S95 PolarHBondContact O-OG 3.32Å
93	S	71.3	Confident	86.9	Confident	46 Å²	46	67.3 Å²	67.3	32%	0.322	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	120.3	177.3	-165.5	0	0	0	0	110.6	S23	S23-S93 PolarHBondContact O-N 2.93Å
94	N	66.9	Low	86.9	Confident	167 Å²	167	67 Å²	67	89%	0.893	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	13.2	-173.1	-45.1	-56.7	0	0	0	117.2	Y92	Y92-N94 PolarHBondContact O-N 3.09Å; Y92-N94 VanDerWaalsContact O-N 3.09Å
95	S	70.4	Confident	86.8	Confident	44 Å²	44	69.2 Å²	69.2	31%	0.308	36%	0.363	S	S	.	.			trans	-91.8	148.3	172.8	78.1	0	0	0	0	112.1	D91 Y92 W97	D91-S95 WeakPolarHBondContact CB-OG 3.33Å; Y92-S95 PolarHBondContact N-OG 2.99Å; Y92-S95 VanDerWaalsContact O-CB 3.31Å; Y92-S95 WeakPolarHBondContact O-CB 2.85Å; Y92-S95 PolarHBondContact O-N 3.35Å; Y92-S95 PolarHBondContact O-OG 3.32Å; S95-W97 VanDerWaalsContact C-N 3.35Å; S95-W97 PolarHBondContact OG-O 3.13Å
96	A	68.9	Low	86.8	Confident	86 Å²	86	70.9 Å²	70.9	71%	0.711	37%	0.37	S	S	*	.	S	Bend	trans	-87.6	1.5	-178.5	0	0	0	0	0	114
97	W	70.7	Confident	86.8	Confident	214 Å²	214	70.7 Å²	70.7	81%	0.811	37%	0.369	S	S	*	.	S	Bend	trans	-142.9	143.6	-168.6	-44.7	98	0	0	0	111.8	D91 S95 A99	D91-W97 WeakPolarHBondContact CB-O 3.35Å; S95-W97 VanDerWaalsContact C-N 3.35Å; S95-W97 PolarHBondContact OG-O 3.13Å; W97-A99 PolarHBondContact O-N 3.4Å; W97-A99 VanDerWaalsContact O-N 3.15Å
98	F	76.5	Confident	86.8	Confident	78 Å²	78	70.7 Å²	70.7	34%	0.342	37%	0.374	S	S	.	.			trans	-70.4	107.4	169.5	-62	-44.9	0	0	0	110	H27 A89 S90 D91 W101	H27-F98 HydrophobicContact CB-CE1 3.99Å; H27-F98 HydrophobicContact CB-CZ 4.27Å; H27-F98 AromaticContact CD2-CE1 3.66Å; H27-F98 AromaticContact CE1-CE1 3.48Å; H27-F98 VanDerWaalsContact CE1-CE1 3.48Å; H27-F98 WeakPolarHBondContact CE1-CE1 3.47Å; H27-F98 AromaticContact CE1-CZ 3.93Å; H27-F98 AromaticContact CG-CE1 3.34Å; H27-F98 AromaticContact CG-CZ 3.84Å; H27-F98 AromaticContact ND1-CE1 3.22Å; H27-F98 WeakPolarHBondContact ND1-CE1 3.37Å; H27-F98 AromaticContact ND1-CZ 3.41Å; H27-F98 WeakPolarHBondContact ND1-CZ 3.33Å; H27-F98 AromaticContact NE2-CE1 3.82Å; A89-F98 HydrophobicContact CB-CB 4.13Å; A89-F98 HydrophobicContact CB-CD1 4.29Å; A89-F98 HydrophobicContact CB-CD2 4.43Å; A89-F98 HydrophobicContact CB-CG 4.02Å; S90-F98 CarbonylContact O-C 3.54Å; D91-F98 HydrophobicContact CB-CD1 4.04Å; F98-W101 HydrophobicContact CB-CZ2 4.28Å; F98-W101 HydrophobicContact CD2-CH2 4.3Å; F98-W101 AromaticContact CD2-CZ2 3.52Å; F98-W101 HydrophobicContact CD2-CZ2 3.52Å; F98-W101 HydrophobicContact CE2-CZ2 4.28Å; F98-W101 HydrophobicContact CG-CZ2 4.24Å
99	A	78.3	Confident	86.8	Confident	61 Å²	61	70.3 Å²	70.3	50%	0.504	37%	0.371	S	S	.	.			trans	-74.1	-32.9	-176.6	0	0	0	0	0	112.4	S90 W97	S90-A99 PolarHBondContact O-N 2.61Å; W97-A99 PolarHBondContact O-N 3.4Å; W97-A99 VanDerWaalsContact O-N 3.15Å
100	Y	88.4	Confident	86.7	Confident	108 Å²	108	72.8 Å²	72.8	42%	0.424	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.5	-177.8	-52.8	-82	0	0	0	111.3	Y19 Y24 A89 S90	Y19-Y100 AromaticContact CD1-CD2 3.9Å; Y19-Y100 HydrophobicContact CD1-CD2 3.9Å; Y19-Y100 AromaticContact CD1-CE2 3.8Å; Y19-Y100 HydrophobicContact CD1-CE2 3.8Å; Y19-Y100 HydrophobicContact CD1-CG 4.44Å; Y19-Y100 AromaticContact CE1-CD2 3.79Å; Y19-Y100 HydrophobicContact CE1-CD2 3.79Å; Y19-Y100 HydrophobicContact CE1-CE2 4.18Å; Y19-Y100 HydrophobicContact CE1-CG 4.12Å; Y19-Y100 HydrophobicContact CG-CE2 4.41Å; Y24-Y100 HydrophobicContact CE1-CD2 4.28Å; Y24-Y100 AromaticContact CE1-CE2 3.92Å; Y24-Y100 HydrophobicContact CE1-CE2 3.92Å; A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.44Å; A89-Y100 WeakPolarHBondContact CB-O 3.49Å; S90-Y100 PolarHBondContact N-O 3.09Å; S90-Y100 PolarHBondContact O-N 2.96Å
101	W	93.9	Very high	86.2	Confident	107 Å²	107	79.2 Å²	79.2	41%	0.405	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.9	175	-75.2	79.2	0	0	0	110.3	V29 L37 Y87 A89 F98	V29-W101 HydrophobicContact CB-CH2 4.29Å; V29-W101 HydrophobicContact CB-CZ3 4.08Å; V29-W101 HydrophobicContact CG1-CH2 4.25Å; V29-W101 HydrophobicContact CG1-CZ3 4.3Å; V29-W101 HydrophobicContact CG2-CH2 3.92Å; V29-W101 HydrophobicContact CG2-CZ3 4.05Å; L37-W101 HydrophobicContact CD1-CH2 3.9Å; L37-W101 HydrophobicContact CD1-CZ2 4.49Å; Y87-W101 HydrophobicContact CD1-CE3 4.5Å; Y87-W101 HydrophobicContact CG-CE3 4.26Å; Y87-W101 HydrophobicContact CG-CZ3 4.24Å; A89-W101 HydrophobicContact CB-CD2 3.7Å; A89-W101 HydrophobicContact CB-CE3 3.9Å; A89-W101 HydrophobicContact CB-CG 4.15Å; A89-W101 HydrophobicContact CB-CH2 4.38Å; A89-W101 HydrophobicContact CB-CZ2 4.23Å; A89-W101 HydrophobicContact CB-CZ3 4.23Å; F98-W101 HydrophobicContact CB-CZ2 4.28Å; F98-W101 HydrophobicContact CD2-CH2 4.3Å; F98-W101 AromaticContact CD2-CZ2 3.52Å; F98-W101 HydrophobicContact CD2-CZ2 3.52Å; F98-W101 HydrophobicContact CE2-CZ2 4.28Å; F98-W101 HydrophobicContact CG-CZ2 4.24Å
102	G	94.6	Very high	86	Confident	28 Å²	28	82.2 Å²	82.2	29%	0.289	46%	0.459	S	S	.	.			trans	-72.4	161.6	166.8	0	0	0	0	0	111.5	C88 G104	C88-G102 PolarHBondContact O-N 3.47Å; G102-G104 PolarHBondContact O-N 3.46Å; G102-G104 VanDerWaalsContact O-N 3.15Å
103	Q	95.1	Very high	86	Confident	188 Å²	188	79.9 Å²	79.9	88%	0.879	46%	0.457	S	S	*	.			trans	-65.7	-15.5	178.4	-64.2	-62.3	-43.2	0	0	113.6
104	G	96.3	Very high	86.9	Confident	28 Å²	28	81.8 Å²	81.8	29%	0.289	46%	0.464	S	S	.	.			trans	85.7	150.5	-177.6	0	0	0	0	0	112.9	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.57Å; Y86-G104 VanDerWaalsContact O-CA 3.26Å; Y86-G104 WeakPolarHBondContact O-CA 3.44Å; Y87-G104 VanDerWaalsContact CD1-CA 3.41Å; G102-G104 PolarHBondContact O-N 3.46Å; G102-G104 VanDerWaalsContact O-N 3.15Å
105	T	97.6	Very high	88	Confident	48 Å²	48	76.8 Å²	76.8	29%	0.294	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.1	175.9	-61.1	0	0	0	0	108.9	E2 L12 Y86 V107	E2-T105 HydrophobicContact CG-CG2 4.24Å; L12-T105 HydrophobicContact CD2-CG2 4.04Å; Y86-T105 PolarHBondContact N-O 3.42Å; Y86-T105 PolarHBondContact O-N 2.6Å; T105-V107 PolarHBondContact O-N 2.85Å
106	L	97.8	Very high	89.1	Confident	72 Å²	72	78.9 Å²	78.9	38%	0.377	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.6	170	177.7	62.9	0	0	0	109.4	T1 E2 V85	T1-L106 CarbonylContact C-O 3.57Å; T1-L106 WeakPolarHBondContact CA-O 3.41Å; T1-L106 HydrophobicContact CG2-CB 4.06Å; T1-L106 HydrophobicContact CG2-CD2 3.87Å; T1-L106 HydrophobicContact CG2-CG 3.99Å; E2-L106 PolarHBondContact N-O 3.23Å; V85-L106 HydrophobicContact CG2-CD1 4.15Å
107	V	97.7	Very high	90.5	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.3	167.6	178.9	0	0	0	0	107.3	E2 V4 V10 L12 L78 S83 A84 Y86 T105 V109	E2-V107 HydrophobicContact CB-CG2 4.26Å; E2-V107 WeakPolarHBondContact O-CA 3.28Å; V4-V107 HydrophobicContact CG2-CG1 4.24Å; V10-V107 HydrophobicContact CG1-CG1 4.38Å; V10-V107 HydrophobicContact CG1-CG2 4.46Å; L12-V107 HydrophobicContact CD1-CG2 4.2Å; L12-V107 HydrophobicContact CD2-CG2 4.03Å; L78-V107 HydrophobicContact CD1-CG1 4.47Å; S83-V107 VanDerWaalsContact CA-O 3.27Å; S83-V107 WeakPolarHBondContact CA-O 3.08Å; A84-V107 PolarHBondContact N-O 2.79Å; A84-V107 PolarHBondContact O-N 3.21Å; Y86-V107 HydrophobicContact CD2-CB 3.91Å; Y86-V107 HydrophobicContact CD2-CG2 3.65Å; Y86-V107 HydrophobicContact CE2-CB 3.81Å; Y86-V107 HydrophobicContact CE2-CG2 3.97Å; T105-V107 PolarHBondContact O-N 2.85Å; V107-V109 HydrophobicContact CG1-CG2 4.45Å
108	T	97.5	Very high	91.9	Very high	46 Å²	46	68.7 Å²	68.7	28%	0.282	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.3	177.5	-58.2	0	0	0	0	109	E2 L3 V4	E2-T108 PolarHBondContact O-N 3.5Å; L3-T108 HydrophobicContact CD1-CG2 3.85Å; V4-T108 PolarHBondContact N-O 2.64Å
109	V	96.4	Very high	93.1	Very high	7 Å²	7	68 Å²	68	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.3	177.7	-170.1	0	0	0	0	108.8	V4 P6 L78 T79 D82 S83 V107	V4-V109 HydrophobicContact CG2-CB 4.41Å; V4-V109 HydrophobicContact CG2-CG1 4.49Å; V4-V109 HydrophobicContact CG2-CG2 3.84Å; V4-V109 WeakPolarHBondContact O-CA 3.28Å; P6-V109 HydrophobicContact CB-CG1 4.43Å; P6-V109 HydrophobicContact CG-CG1 4.19Å; L78-V109 HydrophobicContact CB-CG1 4.26Å; L78-V109 HydrophobicContact CB-CG2 3.94Å; L78-V109 HydrophobicContact CD1-CG2 4.32Å; T79-V109 WeakPolarHBondContact O-CB 3.32Å; T79-V109 WeakPolarHBondContact O-CG2 3.31Å; D82-V109 HydrophobicContact CB-CG2 4.23Å; S83-V109 PolarHBondContact OG-N 2.96Å; V107-V109 HydrophobicContact CG1-CG2 4.45Å
110	S	93.9	Very high	94.3	Very high	54 Å²	54	68.6 Å²	68.6	38%	0.378	40%	0.399	S	S	.	.			trans	-141.1	152.2	179.8	67.1	0	0	0	0	111.4	L3 V4 P6	L3-S110 WeakPolarHBondContact CD1-OG 3.42Å; V4-S110 PolarHBondContact O-N 2.71Å; V4-S110 VanDerWaalsContact O-N 3.1Å; P6-S110 WeakPolarHBondContact CD-O 3.26Å
111	A	82.8	Confident	94.9	Very high	137 Å²	137	65 Å²	65	100%	1.132	40%	0.397	S	S	*	.			trans	-69.1	0	176	0	0	0	0	0	112.1

Retrieved 111 of 111 residues in 37.4 ms (Link to these results)

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