X5J5A4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J5A4_MOUSE|X5J5A4
PGLVAPSQSLSITCTVSGFSLTSYGVSWVRQPPGKGLEWLGVIWGDGSTNYHSALISRLSISRDNSKSQVFLKLNSLQTDDTATYYCAKENYGYFDVWGTGTTVTVSS
					

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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	P	51.3	Low	75.6	Confident	156 Å²	156	73.6 Å²	73.6	100%	1.013	48%	0.475	S	S	*	.				0	120.4	0	2.1	19.8	0	0	0	109.7
2	G	66.2	Low	77.2	Confident	40 Å²	40	68.3 Å²	68.3	41%	0.412	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.8	-174.6	0	0	0	0	0	111.5
3	L	69.5	Low	78.6	Confident	131 Å²	131	68.1 Å²	68.1	69%	0.686	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.4	162.8	-169	73.2	0	0	0	107.4	T105 S107	L3-T105 HydrophobicContact CD1-CG2 4.14Å; L3-S107 WeakPolarHBondContact CD1-OG 3.22Å
4	V	72.7	Confident	79.8	Confident	22 Å²	22	63.9 Å²	63.9	13%	0.133	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.8	-177.6	-86.4	0	0	0	0	109.7	L77 V104 T105 V106	V4-L77 HydrophobicContact CB-CD1 3.75Å; V4-L77 HydrophobicContact CG1-CD1 4.32Å; V4-L77 HydrophobicContact CG2-CD1 3.64Å; V4-V104 HydrophobicContact CG2-CG1 3.55Å; V4-T105 PolarHBondContact N-O 2.59Å; V4-T105 VanDerWaalsContact N-O 3.12Å; V4-V106 HydrophobicContact CG2-CG2 3.85Å; V4-V106 WeakPolarHBondContact O-CA 3.38Å
5	A	75.6	Confident	80.8	Confident	43 Å²	43	66 Å²	66	36%	0.355	42%	0.422	S	S	.	.			trans	-77.9	153.2	178.3	0	0	0	0	0	110.9	Q8	A5-Q8 HydrophobicContact CB-CG 4.25Å; A5-Q8 WeakPolarHBondContact O-CB 3.42Å; A5-Q8 PolarHBondContact O-N 3.06Å
6	P	70.4	Confident	81.5	Confident	50 Å²	50	62.8 Å²	62.8	33%	0.325	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	150.6	171.9	-23.4	33.3	0	0	0	111.7	Q8 L77 V106 S107	P6-Q8 PolarHBondContact O-N 3.29Å; P6-Q8 VanDerWaalsContact O-N 3.16Å; P6-L77 WeakPolarHBondContact CA-O 3.15Å; P6-V106 HydrophobicContact CG-CG1 4.27Å; P6-S107 WeakPolarHBondContact CD-O 3.32Å
7	S	74.8	Confident	82.1	Confident	99 Å²	99	65.1 Å²	65.1	69%	0.692	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-5.7	-176.8	-48.1	0	0	0	0	116.4	L77	S7-L77 PolarHBondContact N-O 3.02Å
8	Q	83.4	Confident	82.4	Confident	102 Å²	102	66.5 Å²	66.5	48%	0.477	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-74	166.5	168.8	-67.6	-170.6	-23	0	0	111.6	A5 P6 S76 L77	A5-Q8 HydrophobicContact CB-CG 4.25Å; A5-Q8 WeakPolarHBondContact O-CB 3.42Å; A5-Q8 PolarHBondContact O-N 3.06Å; P6-Q8 PolarHBondContact O-N 3.29Å; P6-Q8 VanDerWaalsContact O-N 3.16Å; Q8-S76 PolarHBondContact O-N 3.26Å; Q8-L77 WeakPolarHBondContact O-CG 3.36Å; Q8-L77 PolarHBondContact O-N 2.8Å
9	S	87.2	Confident	82.8	Confident	68 Å²	68	64.6 Å²	64.6	48%	0.476	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-101.5	136.2	171.7	-56.7	0	0	0	0	109.9	L74 N75	S9-L74 CarbonylContact C-O 3.56Å; S9-L74 VanDerWaalsContact CA-O 3.29Å; S9-L74 WeakPolarHBondContact CA-O 2.98Å; S9-N75 PolarHBondContact OG-OD1 2.83Å
10	L	88.6	Confident	83.2	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.2	172.8	176	67.4	0	0	0	109.4	I12 K73 L74 L77 V104	L10-I12 HydrophobicContact CD1-CG1 4.14Å; L10-I12 HydrophobicContact CD2-CD1 3.9Å; L10-I12 HydrophobicContact CD2-CG1 3.95Å; L10-I12 HydrophobicContact CG-CD1 4.35Å; L10-I12 HydrophobicContact CG-CG1 3.84Å; L10-K73 CarbonylContact O-C 3.58Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.1Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 2.91Å; L10-L74 PolarHBondContact O-N 3.04Å; L10-L77 HydrophobicContact CB-CD1 3.88Å; L10-L77 HydrophobicContact CB-CD2 4Å; L10-L77 HydrophobicContact CB-CG 4.23Å; L10-L77 HydrophobicContact CD2-CD2 4.27Å; L10-V104 HydrophobicContact CD1-CG1 4.22Å; L10-V104 HydrophobicContact CD1-CG2 4.15Å; L10-V104 HydrophobicContact CD2-CB 4.39Å; L10-V104 HydrophobicContact CD2-CG1 3.94Å; L10-V104 HydrophobicContact CD2-CG2 4.03Å
11	S	92.3	Very high	83.7	Confident	79 Å²	79	61.3 Å²	61.3	55%	0.552	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	117	169	-172.3	0	0	0	0	108.7	L72	S11-L72 CarbonylContact C-O 3.51Å; S11-L72 VanDerWaalsContact CA-O 3.32Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å
12	I	94.3	Very high	85.6	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	175.7	-47.3	-175.8	0	0	0	108.4	L10 W28 F71 L72 Y85 T102 V104	L10-I12 HydrophobicContact CD1-CG1 4.14Å; L10-I12 HydrophobicContact CD2-CD1 3.9Å; L10-I12 HydrophobicContact CD2-CG1 3.95Å; L10-I12 HydrophobicContact CG-CD1 4.35Å; L10-I12 HydrophobicContact CG-CG1 3.84Å; I12-W28 HydrophobicContact CB-CH2 3.98Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 3.72Å; I12-W28 HydrophobicContact CG2-CZ3 3.79Å; I12-F71 CarbonylContact O-C 3.48Å; I12-F71 VanDerWaalsContact O-CA 3.32Å; I12-F71 WeakPolarHBondContact O-CA 3.4Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.26Å; I12-L72 PolarHBondContact N-O 2.95Å; I12-L72 PolarHBondContact O-N 2.89Å; I12-Y85 HydrophobicContact CD1-CD1 3.88Å; I12-Y85 HydrophobicContact CD1-CD2 3.81Å; I12-Y85 HydrophobicContact CD1-CG 3.42Å; I12-Y85 VanDerWaalsContact CD1-CG 3.42Å; I12-T102 HydrophobicContact CG2-CG2 4.42Å; I12-V104 HydrophobicContact CD1-CG2 4.26Å
13	T	95.9	Very high	86.8	Confident	66 Å²	66	59.5 Å²	59.5	41%	0.405	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.6	175.1	-55	0	0	0	0	109.6	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.22Å; T13-Q69 HydrophobicContact CG2-CG 3.94Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.56Å; T13-F71 HydrophobicContact CG2-CZ 4.36Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.28Å
14	C	95.3	Very high	87.9	Confident	10 Å²	10	57.1 Å²	57.1	7%	0.068	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.1	167.3	174.5	0	0	0	0	108.9	W28 Q69 V70 C87	C14-W28 HydrophobicContact CB-CH2 3.6Å; C14-W28 HydrophobicContact CB-CZ2 3.69Å; C14-Q69 CarbonylContact O-C 3.49Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.41Å; C14-V70 PolarHBondContact N-O 2.02Å; C14-V70 PolarHBondContact O-N 2.81Å; C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.32Å; C14-C87 WeakPolarHBondContact SG-CB 3.42Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.76Å
15	T	95.3	Very high	88.9	Confident	95 Å²	95	56.1 Å²	56.1	58%	0.583	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.9	170.3	-54.1	0	0	0	0	108	S68 Q69	T15-S68 WeakPolarHBondContact CA-O 3.27Å; T15-Q69 HydrophobicContact CG2-CG 4.35Å; T15-Q69 PolarHBondContact OG1-NE2 3.41Å
16	V	91.9	Very high	89.9	Confident	15 Å²	15	54.2 Å²	54.2	9%	0.091	35%	0.352	C	S	.	.			trans	-95.1	149.8	179.6	-55.7	0	0	0	0	111	F19 L21 V26 S68	V16-F19 HydrophobicContact CB-CE1 3.78Å; V16-F19 HydrophobicContact CB-CE2 4.23Å; V16-F19 HydrophobicContact CB-CZ 3.58Å; V16-F19 HydrophobicContact CG1-CE1 4.14Å; V16-F19 HydrophobicContact CG1-CE2 4.29Å; V16-F19 HydrophobicContact CG1-CZ 3.56Å; V16-F19 HydrophobicContact CG2-CE1 4.45Å; V16-F19 HydrophobicContact CG2-CE2 4.2Å; V16-F19 HydrophobicContact CG2-CZ 4.06Å; V16-L21 HydrophobicContact CB-CD2 4.41Å; V16-L21 HydrophobicContact CG1-CD2 4.09Å; V16-L21 HydrophobicContact CG2-CD1 4.19Å; V16-L21 HydrophobicContact CG2-CD2 3.5Å; V16-L21 VanDerWaalsContact CG2-CD2 3.5Å; V16-L21 HydrophobicContact CG2-CG 3.67Å; V16-V26 HydrophobicContact CG1-CG2 4.16Å; V16-S68 WeakPolarHBondContact CG2-O 3.25Å; V16-S68 PolarHBondContact N-O 3.23Å
17	S	90.4	Very high	91.2	Very high	102 Å²	102	51.8 Å²	51.8	71%	0.713	34%	0.336	S	S	*	.			trans	-142	155.6	173.1	63.7	0	0	0	0	109.7	F19	S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.43Å; S17-F19 PolarHBondContact O-N 2.96Å
18	G	88.6	Confident	92.2	Very high	90 Å²	90	47.2 Å²	47.2	93%	0.928	30%	0.304	S	S	*	.	S	Bend	trans	81.6	-1.5	179.2	0	0	0	0	0	115.7
19	F	89.3	Confident	92.8	Very high	30 Å²	30	42.6 Å²	42.6	13%	0.132	28%	0.282	C	S	.	.	S	Bend	trans	-152.7	160.9	171.8	66.3	-85.3	0	0	0	112.2	V16 S17 L21 Y24 V26 K89	V16-F19 HydrophobicContact CB-CE1 3.78Å; V16-F19 HydrophobicContact CB-CE2 4.23Å; V16-F19 HydrophobicContact CB-CZ 3.58Å; V16-F19 HydrophobicContact CG1-CE1 4.14Å; V16-F19 HydrophobicContact CG1-CE2 4.29Å; V16-F19 HydrophobicContact CG1-CZ 3.56Å; V16-F19 HydrophobicContact CG2-CE1 4.45Å; V16-F19 HydrophobicContact CG2-CE2 4.2Å; V16-F19 HydrophobicContact CG2-CZ 4.06Å; S17-F19 VanDerWaalsContact C-N 3.3Å; S17-F19 WeakPolarHBondContact O-CD1 3.43Å; S17-F19 PolarHBondContact O-N 2.96Å; F19-L21 HydrophobicContact CE2-CD2 4.08Å; F19-Y24 HydrophobicContact CB-CD2 3.87Å; F19-Y24 HydrophobicContact CB-CE2 4.23Å; F19-Y24 HydrophobicContact CD2-CD2 4.06Å; F19-Y24 HydrophobicContact CD2-CG 4.35Å; F19-Y24 HydrophobicContact CG-CD2 4.36Å; F19-V26 HydrophobicContact CE2-CG2 3.85Å; F19-V26 HydrophobicContact CZ-CG2 3.94Å; F19-K89 HydrophobicContact CB-CD 4.37Å; F19-K89 HydrophobicContact CD1-CB 4.42Å; F19-K89 HydrophobicContact CD1-CD 3.85Å; F19-K89 HydrophobicContact CD1-CG 4.34Å; F19-K89 HydrophobicContact CD2-CD 4.3Å; F19-K89 HydrophobicContact CD2-CG 4.32Å; F19-K89 HydrophobicContact CE1-CB 3.82Å; F19-K89 HydrophobicContact CE1-CD 4.12Å; F19-K89 HydrophobicContact CE1-CG 4.16Å; F19-K89 HydrophobicContact CE2-CB 4.33Å; F19-K89 HydrophobicContact CE2-CG 4.14Å; F19-K89 HydrophobicContact CG-CD 3.93Å; F19-K89 HydrophobicContact CG-CG 4.41Å; F19-K89 HydrophobicContact CZ-CB 3.75Å; F19-K89 HydrophobicContact CZ-CD 4.44Å; F19-K89 HydrophobicContact CZ-CG 4.04Å
20	S	91.4	Very high	93.2	Very high	56 Å²	56	40.5 Å²	40.5	39%	0.392	26%	0.264	S	S	.	.			trans	-88.9	132.6	174.5	-178.3	0	0	0	0	111.4	T22 S23 Y24	S20-T22 PolarHBondContact O-N 2.79Å; S20-T22 PolarHBondContact OG-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 3.15Å; S20-S23 PolarHBondContact O-N 2.8Å; S20-S23 VanDerWaalsContact O-N 3.08Å; S20-Y24 PolarHBondContact O-N 2.96Å
21	L	92.9	Very high	93.5	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.9	173	-70.1	-179.1	0	0	0	113.3	V16 F19 V26 G45 R63 N65 V70	V16-L21 HydrophobicContact CB-CD2 4.41Å; V16-L21 HydrophobicContact CG1-CD2 4.09Å; V16-L21 HydrophobicContact CG2-CD1 4.19Å; V16-L21 HydrophobicContact CG2-CD2 3.5Å; V16-L21 VanDerWaalsContact CG2-CD2 3.5Å; V16-L21 HydrophobicContact CG2-CG 3.67Å; F19-L21 HydrophobicContact CE2-CD2 4.08Å; L21-V26 HydrophobicContact CD2-CG2 3.54Å; L21-G45 WeakPolarHBondContact O-CA 3.46Å; L21-R63 HydrophobicContact CD1-CB 4.43Å; L21-R63 PolarHBondContact O-NH1 2.81Å; L21-N65 WeakPolarHBondContact CB-OD1 3.23Å; L21-V70 HydrophobicContact CD1-CG2 3.97Å; L21-V70 HydrophobicContact CD2-CG2 3.57Å; L21-V70 HydrophobicContact CG-CG2 4.45Å
22	T	92.6	Very high	93.6	Very high	78 Å²	78	39.7 Å²	39.7	48%	0.479	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.7	175	57.1	0	0	0	0	113.2	S20 G45 N65	S20-T22 PolarHBondContact O-N 2.79Å; S20-T22 PolarHBondContact OG-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 3.15Å; T22-G45 WeakPolarHBondContact O-CA 3.35Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.36Å
23	S	91.1	Very high	93.6	Very high	80 Å²	80	44.1 Å²	44.1	56%	0.559	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-23.6	-175.6	-53.1	0	0	0	0	113.3	S20	S20-S23 PolarHBondContact O-N 2.8Å; S20-S23 VanDerWaalsContact O-N 3.08Å
24	Y	92	Very high	93.6	Very high	81 Å²	81	45.5 Å²	45.5	32%	0.318	31%	0.308	S	S	.	.	S	Bend	trans	-132.4	154.9	-176.6	-62.9	-81.5	0	0	0	111.3	F19 S20 K89 N91	F19-Y24 HydrophobicContact CB-CD2 3.87Å; F19-Y24 HydrophobicContact CB-CE2 4.23Å; F19-Y24 HydrophobicContact CD2-CD2 4.06Å; F19-Y24 HydrophobicContact CD2-CG 4.35Å; F19-Y24 HydrophobicContact CG-CD2 4.36Å; S20-Y24 PolarHBondContact O-N 2.96Å; Y24-K89 HydrophobicContact CG-CD 4.37Å; Y24-K89 HydrophobicContact CG-CG 4.4Å; Y24-N91 HydrophobicContact CD1-CB 4.15Å; Y24-N91 HydrophobicContact CE1-CB 4.41Å
25	G	94.6	Very high	93.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	161.9	169.3	0	0	0	0	0	111.7	I43 E90	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.3Å; G25-E90 PolarHBondContact N-O 3.24Å; G25-E90 PolarHBondContact O-N 3.32Å
26	V	96.4	Very high	93.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.7	167.3	179.5	0	0	0	0	108.6	V16 F19 L21 V42 I43 V70 C87 A88	V16-V26 HydrophobicContact CG1-CG2 4.16Å; F19-V26 HydrophobicContact CE2-CG2 3.85Å; F19-V26 HydrophobicContact CZ-CG2 3.94Å; L21-V26 HydrophobicContact CD2-CG2 3.54Å; V26-V42 WeakPolarHBondContact O-CA 3.49Å; V26-I43 PolarHBondContact N-O 2.9Å; V26-I43 PolarHBondContact O-N 3.36Å; V26-V70 HydrophobicContact CB-CB 4.47Å; V26-V70 HydrophobicContact CB-CG1 4.3Å; V26-V70 HydrophobicContact CB-CG2 3.91Å; V26-V70 HydrophobicContact CG1-CB 4.22Å; V26-V70 HydrophobicContact CG1-CG1 4.18Å; V26-V70 HydrophobicContact CG1-CG2 4.08Å; V26-V70 HydrophobicContact CG2-CG2 3.87Å; V26-C87 HydrophobicContact CG1-CB 3.97Å; V26-A88 CarbonylContact C-O 3.54Å; V26-A88 WeakPolarHBondContact CA-O 3.45Å
27	S	96.2	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.2	177.1	-89.5	0	0	0	0	111.5	W39 G41 V42 C87 A88 E90	S27-W39 PolarHBondContact OG-NE1 2.93Å; S27-G41 CarbonylContact C-O 3.58Å; S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.48Å; S27-V42 VanDerWaalsContact OG-CB 3.28Å; S27-V42 WeakPolarHBondContact OG-CB 3.46Å; S27-V42 WeakPolarHBondContact OG-CG2 3.45Å; S27-C87 CarbonylContact O-C 3.57Å; S27-C87 VanDerWaalsContact O-CA 3.25Å; S27-C87 WeakPolarHBondContact O-CA 3.39Å; S27-A88 PolarHBondContact N-O 2.86Å; S27-A88 PolarHBondContact O-N 3.39Å; S27-E90 WeakPolarHBondContact CB-OE2 3.37Å; S27-E90 PolarHBondContact OG-OE2 3.21Å
28	W	96.3	Very high	93.7	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.011	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133	169.3	-73.5	96.6	0	0	0	109.6	I12 C14 L40 G41 V70 L72 Y86 C87	I12-W28 HydrophobicContact CB-CH2 3.98Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 3.72Å; I12-W28 HydrophobicContact CG2-CZ3 3.79Å; C14-W28 HydrophobicContact CB-CH2 3.6Å; C14-W28 HydrophobicContact CB-CZ2 3.69Å; W28-L40 HydrophobicContact CB-CB 4.09Å; W28-L40 HydrophobicContact CB-CD1 4.29Å; W28-L40 WeakPolarHBondContact O-CB 3.46Å; W28-L40 PolarHBondContact O-N 2.84Å; W28-G41 PolarHBondContact N-O 3.27Å; W28-V70 HydrophobicContact CZ2-CG1 4.44Å; W28-L72 HydrophobicContact CB-CD1 4.37Å; W28-L72 HydrophobicContact CB-CD2 4.35Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.96Å; W28-L72 HydrophobicContact CD2-CG 4.24Å; W28-L72 VanDerWaalsContact CE2-CB 3.48Å; W28-L72 HydrophobicContact CE3-CB 3.98Å; W28-L72 HydrophobicContact CE3-CD2 3.82Å; W28-L72 HydrophobicContact CE3-CG 4.5Å; W28-L72 HydrophobicContact CG-CB 4.05Å; W28-L72 HydrophobicContact CG-CD1 4.14Å; W28-L72 HydrophobicContact CG-CD2 4.2Å; W28-L72 HydrophobicContact CG-CG 4.37Å; W28-L72 HydrophobicContact CH2-CB 4.07Å; W28-L72 HydrophobicContact CZ2-CB 3.72Å; W28-L72 HydrophobicContact CZ3-CB 4.2Å; W28-L72 HydrophobicContact CZ3-CD2 4.4Å; W28-Y86 WeakPolarHBondContact CA-O 3.29Å; W28-C87 HydrophobicContact CD2-CB 4.38Å; W28-C87 HydrophobicContact CE3-CB 4.22Å; W28-C87 HydrophobicContact CH2-CB 4.22Å; W28-C87 HydrophobicContact CZ2-CB 4.36Å; W28-C87 HydrophobicContact CZ3-CB 4.14Å
29	V	95.5	Very high	94	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.5	-179.3	-177.2	0	0	0	0	107.2	L37 E38 Y85 Y86 W98	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-Y85 CarbonylContact O-C 3.47Å; V29-Y86 PolarHBondContact N-O 2.79Å; V29-Y86 PolarHBondContact O-N 3.07Å; V29-W98 HydrophobicContact CB-CH2 4.17Å; V29-W98 HydrophobicContact CB-CZ3 3.84Å; V29-W98 HydrophobicContact CG1-CH2 4.14Å; V29-W98 HydrophobicContact CG1-CZ3 4.04Å; V29-W98 HydrophobicContact CG2-CH2 3.85Å; V29-W98 HydrophobicContact CG2-CZ3 3.92Å
30	R	95.3	Very high	94.3	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.7	172.1	72.1	176.9	-179.5	-176.6	6.3	111.4	E38 L40 D81 A83 T84 Y85	R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.38Å; R30-E38 PolarHBondContact N-O 3.47Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.2Å; R30-E38 IonicContact NH2-OE2 2.95Å; R30-E38 PolarHBondContact NH2-OE2 3.12Å; R30-E38 PolarHBondContact O-N 3.15Å; R30-L40 HydrophobicContact CB-CD1 4.09Å; R30-L40 HydrophobicContact CB-CD2 4.5Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4.28Å; R30-L40 HydrophobicContact CG-CD2 3.81Å; R30-L40 HydrophobicContact CG-CG 4.21Å; R30-D81 IonicContact NH1-OD1 2.95Å; R30-D81 PolarHBondContact NH1-OD1 3.31Å; R30-A83 HydrophobicContact CB-CB 3.87Å; R30-A83 HydrophobicContact CG-CB 4.26Å; R30-T84 CarbonylContact C-O 3.56Å; R30-T84 VanDerWaalsContact CA-O 3.27Å; R30-T84 WeakPolarHBondContact CA-O 3.33Å; R30-Y85 HydrophobicContact CB-CD1 3.87Å; R30-Y85 HydrophobicContact CB-CE1 3.91Å; R30-Y85 HydrophobicContact CB-CG 4.29Å
31	Q	96.2	Very high	94.4	Very high	75 Å²	75	46.7 Å²	46.7	35%	0.35	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	101.2	172.8	-169.6	178.3	26.9	0	0	109.3	L37 A83 T84 Y86	Q31-L37 HydrophobicContact CB-CD2 3.96Å; Q31-L37 HydrophobicContact CG-CD2 4.37Å; Q31-A83 WeakPolarHBondContact O-CA 3.44Å; Q31-A83 WeakPolarHBondContact O-CB 3.41Å; Q31-T84 PolarHBondContact N-O 2.83Å; Q31-T84 PolarHBondContact O-N 2.95Å; Q31-Y86 HydrophobicContact CB-CE2 3.84Å; Q31-Y86 PolarHBondContact OE1-OH 3.02Å
32	P	95	Very high	94.6	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.052	27%	0.274	C	S	.	.			trans	-65.3	151.7	170.9	-17.7	30.9	0	0	0	111	G34 K35 A83	P32-G34 PolarHBondContact O-N 2.64Å; P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 3.25Å; P32-A83 HydrophobicContact CG-CB 4.44Å
33	P	94.1	Very high	94.7	Very high	101 Å²	101	43.3 Å²	43.3	66%	0.656	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	127.6	176.4	-24.9	33.9	0	0	0	111.9	K35 T82	P33-K35 PolarHBondContact O-N 2.92Å; P33-T82 VanDerWaalsContact CD-O 3.28Å; P33-T82 WeakPolarHBondContact CD-O 3.32Å; P33-T82 HydrophobicContact CG-CG2 4.28Å
34	G	94.6	Very high	95	Very high	95 Å²	95	41.7 Å²	41.7	98%	0.979	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	7.9	179.7	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 2.64Å
35	K	94	Very high	95	Very high	129 Å²	129	38.7 Å²	38.7	56%	0.561	23%	0.23	S	C	*	.	S	Bend	trans	-117.1	166.6	177.6	-61.8	-170.3	-176.5	175.1	0	112.2	P32 P33	P32-K35 HydrophobicContact CB-CB 4.05Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 3.25Å; P33-K35 PolarHBondContact O-N 2.92Å
36	G	93.9	Very high	94.9	Very high	52 Å²	52	44.6 Å²	44.6	54%	0.536	26%	0.261	S	S	.	.			trans	-71.5	178.8	173	0	0	0	0	0	113.2
37	L	94.4	Very high	94.7	Very high	98 Å²	98	46.1 Å²	46.1	51%	0.513	28%	0.277	S	S	.	.			trans	-71.3	132	173	-69.2	169	0	0	0	110.4	V29 Q31 Y86 W98	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.96Å; Q31-L37 HydrophobicContact CG-CD2 4.37Å; L37-Y86 HydrophobicContact CD2-CD2 4.27Å; L37-Y86 HydrophobicContact CD2-CE2 4.18Å; L37-W98 HydrophobicContact CD1-CH2 4.19Å
38	E	94.1	Very high	94.6	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118	176.5	-67	-179.8	-177.2	0	0	109.2	V29 R30	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.38Å; R30-E38 PolarHBondContact N-O 3.47Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.2Å; R30-E38 IonicContact NH2-OE2 2.95Å; R30-E38 PolarHBondContact NH2-OE2 3.12Å; R30-E38 PolarHBondContact O-N 3.15Å
39	W	94.1	Very high	94.6	Very high	81 Å²	81	50.6 Å²	50.6	31%	0.307	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.1	173.6	179.9	85.5	0	0	0	110.6	S27 G41 V42 N50 H52 F95	S27-W39 PolarHBondContact OG-NE1 2.93Å; W39-G41 VanDerWaalsContact CZ2-C 3.4Å; W39-V42 HydrophobicContact CZ2-CB 3.97Å; W39-V42 HydrophobicContact CZ2-CG1 3.87Å; W39-N50 HydrophobicContact CH2-CB 4Å; W39-H52 HydrophobicContact CE3-CB 4.09Å; W39-H52 HydrophobicContact CZ3-CB 4.23Å; W39-H52 WeakPolarHBondContact O-CB 3.4Å; W39-F95 AromaticContact CD1-CZ 3.92Å
40	L	94.5	Very high	94.5	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-37.2	-175.7	-61.9	-175.1	0	0	0	113.1	W28 R30 H52 L55 L59 L72 Y85	W28-L40 HydrophobicContact CB-CB 4.09Å; W28-L40 HydrophobicContact CB-CD1 4.29Å; W28-L40 WeakPolarHBondContact O-CB 3.46Å; W28-L40 PolarHBondContact O-N 2.84Å; R30-L40 HydrophobicContact CB-CD1 4.09Å; R30-L40 HydrophobicContact CB-CD2 4.5Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4.28Å; R30-L40 HydrophobicContact CG-CD2 3.81Å; R30-L40 HydrophobicContact CG-CG 4.21Å; L40-H52 WeakPolarHBondContact O-CB 3.4Å; L40-H52 PolarHBondContact O-N 3.19Å; L40-L55 HydrophobicContact CD2-CD1 3.32Å; L40-L59 HydrophobicContact CB-CD1 3.88Å; L40-L59 HydrophobicContact CD1-CD1 4.22Å; L40-L59 HydrophobicContact CD2-CD1 4.42Å; L40-L59 HydrophobicContact CG-CD1 4.43Å; L40-L72 HydrophobicContact CD1-CD2 3.94Å; L40-Y85 HydrophobicContact CD1-CD1 3.77Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å
41	G	95.1	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	169.8	-173	0	0	0	0	0	111.9	S27 W28 W39 N50 I61	S27-G41 CarbonylContact C-O 3.58Å; S27-G41 VanDerWaalsContact CA-O 3.32Å; S27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 3.27Å; W39-G41 VanDerWaalsContact CZ2-C 3.4Å; G41-N50 CarbonylContact C-O 3.52Å; G41-N50 WeakPolarHBondContact CA-O 3.32Å; G41-I61 VanDerWaalsContact C-CD1 3.48Å
42	V	95.7	Very high	94.1	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.5	179.4	66.4	0	0	0	0	109.7	V26 S27 W39 W44 T49 N50 E90	V26-V42 WeakPolarHBondContact O-CA 3.49Å; S27-V42 VanDerWaalsContact OG-CB 3.28Å; S27-V42 WeakPolarHBondContact OG-CB 3.46Å; S27-V42 WeakPolarHBondContact OG-CG2 3.45Å; W39-V42 HydrophobicContact CZ2-CB 3.97Å; W39-V42 HydrophobicContact CZ2-CG1 3.87Å; V42-W44 HydrophobicContact CG1-CD2 4.39Å; V42-W44 HydrophobicContact CG1-CZ2 3.9Å; V42-W44 HydrophobicContact CG2-CD2 4.17Å; V42-W44 HydrophobicContact CG2-CE3 4.41Å; V42-W44 HydrophobicContact CG2-CH2 4.49Å; V42-W44 HydrophobicContact CG2-CZ2 4.27Å; V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; V42-N50 HydrophobicContact CG1-CB 3.9Å; V42-N50 PolarHBondContact N-O 3.03Å; V42-N50 PolarHBondContact O-N 3.36Å; V42-E90 HydrophobicContact CG2-CB 4.16Å; V42-E90 HydrophobicContact CG2-CG 4.01Å
43	I	96.6	Very high	93.7	Very high	11 Å²	11	60.6 Å²	60.6	6%	0.056	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.9	160.2	-172.1	162.9	0	0	0	109.2	G25 V26 S48 T49 I61 R63 V70	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.3Å; V26-I43 PolarHBondContact N-O 2.9Å; V26-I43 PolarHBondContact O-N 3.36Å; I43-S48 WeakPolarHBondContact CA-O 3.4Å; I43-T49 HydrophobicContact CB-CG2 3.95Å; I43-T49 HydrophobicContact CD1-CG2 4.03Å; I43-T49 HydrophobicContact CG1-CG2 3.81Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CG2-CG2 3.62Å; I43-R63 HydrophobicContact CD1-CB 4.1Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å
44	W	95.6	Very high	93.1	Very high	47 Å²	47	59.2 Å²	59.2	18%	0.178	36%	0.362	C	S	.	.			trans	-86.7	167.9	-176.8	-66.3	109.6	0	0	0	112.5	V42 D46 G47 S48 N50 R63 E90	V42-W44 HydrophobicContact CG1-CD2 4.39Å; V42-W44 HydrophobicContact CG1-CZ2 3.9Å; V42-W44 HydrophobicContact CG2-CD2 4.17Å; V42-W44 HydrophobicContact CG2-CE3 4.41Å; V42-W44 HydrophobicContact CG2-CH2 4.49Å; V42-W44 HydrophobicContact CG2-CZ2 4.27Å; W44-D46 VanDerWaalsContact CB-OD1 3.28Å; W44-D46 WeakPolarHBondContact CB-OD1 3.23Å; W44-D46 PolarHBondContact O-N 2.84Å; W44-G47 WeakPolarHBondContact O-CA 2.92Å; W44-G47 PolarHBondContact O-N 2.93Å; W44-S48 VanDerWaalsContact CD1-OG 3.23Å; W44-S48 PolarHBondContact N-O 2.73Å; W44-N50 PolarHBondContact NE1-ND2 2.99Å; W44-R63 PolarHBondContact O-NH1 3.32Å; W44-E90 HydrophobicContact CE3-CG 4.49Å; W44-E90 HydrophobicContact CH2-CG 3.41Å; W44-E90 VanDerWaalsContact CH2-CG 3.41Å; W44-E90 HydrophobicContact CZ2-CG 4.35Å; W44-E90 HydrophobicContact CZ3-CB 4.45Å; W44-E90 HydrophobicContact CZ3-CG 3.5Å; W44-E90 VanDerWaalsContact CZ3-CG 3.5Å
45	G	92.4	Very high	92.4	Very high	18 Å²	18	55.2 Å²	55.2	19%	0.186	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.6	178.8	0	0	0	0	0	114.4	L21 T22 G47 R63	L21-G45 WeakPolarHBondContact O-CA 3.46Å; T22-G45 WeakPolarHBondContact O-CA 3.35Å; G45-G47 VanDerWaalsContact C-N 3.35Å; G45-R63 VanDerWaalsContact O-CZ 3.23Å; G45-R63 PolarHBondContact O-NH1 3.47Å; G45-R63 PolarHBondContact O-NH2 2.86Å
46	D	92.7	Very high	91.8	Very high	125 Å²	125	53.9 Å²	53.9	67%	0.668	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.9	175.5	65.1	-3.2	0	0	0	113.8	W44 S48	W44-D46 VanDerWaalsContact CB-OD1 3.28Å; W44-D46 WeakPolarHBondContact CB-OD1 3.23Å; W44-D46 PolarHBondContact O-N 2.84Å; D46-S48 WeakPolarHBondContact OD1-CB 3.28Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 3.04Å; D46-S48 PolarHBondContact OD2-OG 3.02Å
47	G	93.1	Very high	91.5	Very high	33 Å²	33	56.5 Å²	56.5	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	91.8	-1.2	-178.6	0	0	0	0	0	114.4	W44 G45 R63	W44-G47 WeakPolarHBondContact O-CA 2.92Å; W44-G47 PolarHBondContact O-N 2.93Å; G45-G47 VanDerWaalsContact C-N 3.35Å; G47-R63 VanDerWaalsContact N-NH2 3.16Å
48	S	94.2	Very high	91.4	Very high	50 Å²	50	53.3 Å²	53.3	35%	0.35	31%	0.307	S	S	.	.			trans	-65.1	149.5	171.6	65	0	0	0	0	110.8	I43 W44 D46	I43-S48 WeakPolarHBondContact CA-O 3.4Å; W44-S48 VanDerWaalsContact CD1-OG 3.23Å; W44-S48 PolarHBondContact N-O 2.73Å; D46-S48 WeakPolarHBondContact OD1-CB 3.28Å; D46-S48 PolarHBondContact OD1-N 3.09Å; D46-S48 PolarHBondContact OD1-OG 3.04Å; D46-S48 PolarHBondContact OD2-OG 3.02Å
49	T	95.3	Very high	91.3	Very high	47 Å²	47	50.9 Å²	50.9	29%	0.288	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.3	-178.2	53.2	0	0	0	0	111	V42 I43 Y51	V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; I43-T49 HydrophobicContact CB-CG2 3.95Å; I43-T49 HydrophobicContact CD1-CG2 4.03Å; I43-T49 HydrophobicContact CG1-CG2 3.81Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 3.16Å
50	N	94.1	Very high	91.3	Very high	87 Å²	87	49.4 Å²	49.4	47%	0.465	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.9	166.9	-62.1	-27.9	0	0	0	108.7	W39 G41 V42 W44	W39-N50 HydrophobicContact CH2-CB 4Å; G41-N50 CarbonylContact C-O 3.52Å; G41-N50 WeakPolarHBondContact CA-O 3.32Å; V42-N50 HydrophobicContact CG1-CB 3.9Å; V42-N50 PolarHBondContact N-O 3.03Å; V42-N50 PolarHBondContact O-N 3.36Å; W44-N50 PolarHBondContact NE1-ND2 2.99Å
51	Y	93.4	Very high	91.3	Very high	56 Å²	56	49.8 Å²	49.8	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.4	-176	-61.2	-71.9	0	0	0	111	T49 S53 I56 L59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 3.16Å; Y51-S53 PolarHBondContact O-N 2.83Å; Y51-I56 HydrophobicContact CD2-CD1 4.18Å; Y51-I56 HydrophobicContact CD2-CG1 3.92Å; Y51-I56 HydrophobicContact CG-CG1 4.11Å; Y51-L59 HydrophobicContact CD1-CD2 3.47Å; Y51-L59 VanDerWaalsContact CD1-CD2 3.47Å; Y51-L59 HydrophobicContact CE1-CD2 3.59Å; Y51-I61 HydrophobicContact CD1-CD1 4.15Å; Y51-I61 HydrophobicContact CE1-CB 4.25Å; Y51-I61 HydrophobicContact CE1-CD1 3.84Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.02Å
52	H	89.9	Confident	91.4	Very high	79 Å²	79	52.4 Å²	52.4	37%	0.366	32%	0.319	S	S	.	.			trans	-66.9	125.8	165.7	-172.6	-113.5	0	0	0	109.2	W39 L40 A54 L55 I56	W39-H52 HydrophobicContact CE3-CB 4.09Å; W39-H52 HydrophobicContact CZ3-CB 4.23Å; W39-H52 WeakPolarHBondContact O-CB 3.4Å; L40-H52 WeakPolarHBondContact O-CB 3.4Å; L40-H52 PolarHBondContact O-N 3.19Å; H52-A54 PolarHBondContact O-N 2.89Å; H52-A54 VanDerWaalsContact O-N 3.12Å; H52-L55 PolarHBondContact O-N 2.74Å; H52-I56 PolarHBondContact O-N 2.86Å
53	S	85.6	Confident	91.3	Very high	100 Å²	100	55.3 Å²	55.3	70%	0.699	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.3	-170.1	54.4	0	0	0	0	113.5	Y51 L55 I56	Y51-S53 PolarHBondContact O-N 2.83Å; S53-L55 PolarHBondContact O-N 2.96Å; S53-I56 WeakPolarHBondContact O-CG2 3.39Å
54	A	82.5	Confident	91.3	Very high	72 Å²	72	56.8 Å²	56.8	60%	0.595	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.4	179.1	0	0	0	0	0	114.2	H52	H52-A54 PolarHBondContact O-N 2.89Å; H52-A54 VanDerWaalsContact O-N 3.12Å
55	L	78.9	Confident	91.2	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.052	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-2.7	-172.3	-62.5	173.4	0	0	0	113.4	L40 H52 S53 S57 R58 L59	L40-L55 HydrophobicContact CD2-CD1 3.32Å; H52-L55 PolarHBondContact O-N 2.74Å; S53-L55 PolarHBondContact O-N 2.96Å; L55-S57 PolarHBondContact O-N 2.93Å; L55-S57 VanDerWaalsContact O-N 3.09Å; L55-R58 PolarHBondContact O-N 3.12Å; L55-L59 HydrophobicContact CB-CB 4.41Å; L55-L59 HydrophobicContact CB-CD1 4.25Å; L55-L59 HydrophobicContact CD1-CD1 4.5Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.01Å; L55-L59 PolarHBondContact O-N 3.23Å
56	I	81.9	Confident	91.2	Very high	102 Å²	102	61.9 Å²	61.9	52%	0.523	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.5	-173.1	-162.3	166.4	0	0	0	114	Y51 H52 S53 R58	Y51-I56 HydrophobicContact CD2-CD1 4.18Å; Y51-I56 HydrophobicContact CD2-CG1 3.92Å; Y51-I56 HydrophobicContact CG-CG1 4.11Å; H52-I56 PolarHBondContact O-N 2.86Å; S53-I56 WeakPolarHBondContact O-CG2 3.39Å; I56-R58 VanDerWaalsContact C-N 3.34Å
57	S	87.6	Confident	91.3	Very high	106 Å²	106	61.9 Å²	61.9	74%	0.741	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.8	-179.9	59.2	0	0	0	0	113.9	L55	L55-S57 PolarHBondContact O-N 2.93Å; L55-S57 VanDerWaalsContact O-N 3.09Å
58	R	91.3	Very high	91.3	Very high	31 Å²	31	62.5 Å²	62.5	12%	0.117	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-17	-173.9	-61.6	-167.7	-59.8	123.2	0.5	113.3	L55 I56 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.12Å; I56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.92Å; R58-L74 WeakPolarHBondContact O-CA 3Å; R58-N75 PolarHBondContact O-N 2.86Å; R58-S76 PolarHBondContact NH1-O 2.51Å; R58-D81 IonicContact CZ-OD1 3.89Å; R58-D81 IonicContact CZ-OD2 3.52Å; R58-D81 IonicContact NH1-OD1 3.79Å; R58-D81 IonicContact NH1-OD2 2.73Å; R58-D81 PolarHBondContact NH1-OD2 3.17Å; R58-D81 IonicContact NH2-OD1 3.02Å; R58-D81 PolarHBondContact NH2-OD1 3.38Å; R58-D81 IonicContact NH2-OD2 3.36Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å
59	L	92	Very high	91.5	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.8	-169.4	-160.2	143.6	0	0	0	111.5	L40 Y51 L55 I61 L72 K73 L74	L40-L59 HydrophobicContact CB-CD1 3.88Å; L40-L59 HydrophobicContact CD1-CD1 4.22Å; L40-L59 HydrophobicContact CD2-CD1 4.42Å; L40-L59 HydrophobicContact CG-CD1 4.43Å; Y51-L59 HydrophobicContact CD1-CD2 3.47Å; Y51-L59 VanDerWaalsContact CD1-CD2 3.47Å; Y51-L59 HydrophobicContact CE1-CD2 3.59Å; L55-L59 HydrophobicContact CB-CB 4.41Å; L55-L59 HydrophobicContact CB-CD1 4.25Å; L55-L59 HydrophobicContact CD1-CD1 4.5Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.01Å; L55-L59 PolarHBondContact O-N 3.23Å; L59-I61 HydrophobicContact CD2-CD1 3.8Å; L59-I61 HydrophobicContact CD2-CG1 3.65Å; L59-L72 HydrophobicContact CD1-CD1 3.84Å; L59-L72 HydrophobicContact CD2-CD1 3.58Å; L59-L72 HydrophobicContact CG-CD1 3.62Å; L59-K73 CarbonylContact C-O 3.43Å; L59-K73 WeakPolarHBondContact CA-O 3.21Å; L59-L74 HydrophobicContact CB-CD1 4.22Å; L59-L74 HydrophobicContact CD1-CD1 4.32Å; L59-L74 HydrophobicContact CG-CD1 4.46Å
60	S	94.3	Very high	91.5	Very high	51 Å²	51	60 Å²	60	36%	0.357	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.9	174.7	175.7	0	0	0	0	109.2	K73	S60-K73 PolarHBondContact N-O 2.82Å; S60-K73 PolarHBondContact O-N 3.43Å
61	I	96.1	Very high	91.6	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.6	176.5	-59.5	162.6	0	0	0	108.3	G41 I43 Y51 L59 V70 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.48Å; I43-I61 HydrophobicContact CB-CG2 3.71Å; I43-I61 HydrophobicContact CG2-CG2 3.62Å; Y51-I61 HydrophobicContact CD1-CD1 4.15Å; Y51-I61 HydrophobicContact CE1-CB 4.25Å; Y51-I61 HydrophobicContact CE1-CD1 3.84Å; Y51-I61 HydrophobicContact CE1-CG1 3.91Å; Y51-I61 PolarHBondContact OH-N 3.02Å; L59-I61 HydrophobicContact CD2-CD1 3.8Å; L59-I61 HydrophobicContact CD2-CG1 3.65Å; I61-V70 HydrophobicContact CG2-CG1 3.96Å; I61-F71 WeakPolarHBondContact CA-O 3.25Å; I61-L72 HydrophobicContact CG1-CD1 3.96Å
62	S	95.6	Very high	91.7	Very high	56 Å²	56	55.2 Å²	55.2	39%	0.392	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	169	175.2	67.7	0	0	0	0	110.8	V70 F71	S62-V70 CarbonylContact O-C 3.54Å; S62-V70 WeakPolarHBondContact O-CA 3.21Å; S62-V70 WeakPolarHBondContact O-CG1 3.24Å; S62-F71 PolarHBondContact N-O 2.86Å; S62-F71 PolarHBondContact O-N 3.01Å
63	R	95.3	Very high	91.9	Very high	61 Å²	61	56.2 Å²	56.2	23%	0.23	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.4	178.9	68.9	-177.1	179.5	169.3	0.7	111.8	L21 I43 W44 G45 G47 N65 Q69 V70	L21-R63 HydrophobicContact CD1-CB 4.43Å; L21-R63 PolarHBondContact O-NH1 2.81Å; I43-R63 HydrophobicContact CD1-CB 4.1Å; I43-R63 HydrophobicContact CD1-CG 3.78Å; W44-R63 PolarHBondContact O-NH1 3.32Å; G45-R63 VanDerWaalsContact O-CZ 3.23Å; G45-R63 PolarHBondContact O-NH1 3.47Å; G45-R63 PolarHBondContact O-NH2 2.86Å; G47-R63 VanDerWaalsContact N-NH2 3.16Å; R63-N65 WeakPolarHBondContact CD-OD1 3.49Å; R63-Q69 CarbonylContact C-O 3.51Å; R63-Q69 VanDerWaalsContact CA-O 3.26Å; R63-Q69 WeakPolarHBondContact CA-O 3.29Å; R63-V70 HydrophobicContact CB-CG2 4.18Å
64	D	95.2	Very high	92.2	Very high	42 Å²	42	51.6 Å²	51.6	23%	0.225	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	101.3	169	-176.5	-14.7	0	0	0	108.3	S66 K67 S68 Q69 F71	D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.22Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.84Å; D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 3.07Å; D64-K67 PolarHBondContact OD1-N 3.4Å; D64-K67 VanDerWaalsContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.32Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 WeakPolarHBondContact OD2-CG 3.05Å; D64-K67 IonicContact OD2-NZ 3.55Å; D64-S68 PolarHBondContact O-N 3.05Å; D64-Q69 PolarHBondContact N-O 2.84Å; D64-Q69 PolarHBondContact O-N 2.78Å; D64-F71 HydrophobicContact CB-CE2 3.87Å; D64-F71 HydrophobicContact CB-CZ 4.44Å
65	N	93.4	Very high	92.7	Very high	69 Å²	69	50.7 Å²	50.7	37%	0.369	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-64.5	-30.9	-179.1	-66.4	-12.8	0	0	0	112.1	L21 T22 R63 K67 S68	L21-N65 WeakPolarHBondContact CB-OD1 3.23Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.36Å; R63-N65 WeakPolarHBondContact CD-OD1 3.49Å; N65-K67 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-N 2.8Å
66	S	92.7	Very high	93.1	Very high	104 Å²	104	53.4 Å²	53.4	73%	0.727	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67	-28	-179.8	74.8	0	0	0	0	112.1	D64	D64-S66 PolarHBondContact O-N 3.48Å; D64-S66 WeakPolarHBondContact OD1-CB 3.22Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.84Å
67	K	94.3	Very high	93.5	Very high	124 Å²	124	48.8 Å²	48.8	54%	0.539	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-103.3	-2.3	178.8	-62.3	-178.9	-169.3	162.1	0	113.5	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 3.07Å; D64-K67 PolarHBondContact OD1-N 3.4Å; D64-K67 VanDerWaalsContact OD2-CD 3.22Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.32Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 WeakPolarHBondContact OD2-CG 3.05Å; D64-K67 IonicContact OD2-NZ 3.55Å; N65-K67 PolarHBondContact O-N 3.16Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.04Å; K67-Q69 PolarHBondContact O-N 2.61Å
68	S	94.6	Very high	93.6	Very high	47 Å²	47	48.3 Å²	48.3	33%	0.329	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	45.4	-170.4	-58.7	0	0	0	0	111.8	T15 V16 D64 N65	T15-S68 WeakPolarHBondContact CA-O 3.27Å; V16-S68 WeakPolarHBondContact CG2-O 3.25Å; V16-S68 PolarHBondContact N-O 3.23Å; D64-S68 PolarHBondContact O-N 3.05Å; N65-S68 PolarHBondContact O-N 2.8Å
69	Q	96.6	Very high	93.4	Very high	44 Å²	44	50.5 Å²	50.5	21%	0.206	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.2	-176.6	-77.5	176.6	-15.5	0	0	112.2	T13 C14 T15 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.22Å; T13-Q69 HydrophobicContact CG2-CG 3.94Å; C14-Q69 CarbonylContact O-C 3.49Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.41Å; T15-Q69 HydrophobicContact CG2-CG 4.35Å; T15-Q69 PolarHBondContact OG1-NE2 3.41Å; R63-Q69 CarbonylContact C-O 3.51Å; R63-Q69 VanDerWaalsContact CA-O 3.26Å; R63-Q69 WeakPolarHBondContact CA-O 3.29Å; D64-Q69 PolarHBondContact N-O 2.84Å; D64-Q69 PolarHBondContact O-N 2.78Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.04Å; K67-Q69 PolarHBondContact O-N 2.61Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.89Å; Q69-F71 HydrophobicContact CB-CZ 3.61Å; Q69-F71 HydrophobicContact CG-CZ 4.49Å
70	V	96.8	Very high	93.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.5	171.4	-175.5	0	0	0	0	107.9	C14 L21 V26 W28 I43 I61 S62 R63	C14-V70 PolarHBondContact N-O 2.02Å; C14-V70 PolarHBondContact O-N 2.81Å; L21-V70 HydrophobicContact CD1-CG2 3.97Å; L21-V70 HydrophobicContact CD2-CG2 3.57Å; L21-V70 HydrophobicContact CG-CG2 4.45Å; V26-V70 HydrophobicContact CB-CB 4.47Å; V26-V70 HydrophobicContact CB-CG1 4.3Å; V26-V70 HydrophobicContact CB-CG2 3.91Å; V26-V70 HydrophobicContact CG1-CB 4.22Å; V26-V70 HydrophobicContact CG1-CG1 4.18Å; V26-V70 HydrophobicContact CG1-CG2 4.08Å; V26-V70 HydrophobicContact CG2-CG2 3.87Å; W28-V70 HydrophobicContact CZ2-CG1 4.44Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å; I61-V70 HydrophobicContact CG2-CG1 3.96Å; S62-V70 CarbonylContact O-C 3.54Å; S62-V70 WeakPolarHBondContact O-CA 3.21Å; S62-V70 WeakPolarHBondContact O-CG1 3.24Å; R63-V70 HydrophobicContact CB-CG2 4.18Å
71	F	96.3	Very high	93.1	Very high	43 Å²	43	53.1 Å²	53.1	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.8	-175.5	-51.9	-87.2	0	0	0	109.7	I12 T13 I61 S62 D64 Q69	I12-F71 CarbonylContact O-C 3.48Å; I12-F71 VanDerWaalsContact O-CA 3.32Å; I12-F71 WeakPolarHBondContact O-CA 3.4Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.56Å; T13-F71 HydrophobicContact CG2-CZ 4.36Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.28Å; I61-F71 WeakPolarHBondContact CA-O 3.25Å; S62-F71 PolarHBondContact N-O 2.86Å; S62-F71 PolarHBondContact O-N 3.01Å; D64-F71 HydrophobicContact CB-CE2 3.87Å; D64-F71 HydrophobicContact CB-CZ 4.44Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.89Å; Q69-F71 HydrophobicContact CB-CZ 3.61Å; Q69-F71 HydrophobicContact CG-CZ 4.49Å
72	L	95.8	Very high	93	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.3	167	175.2	68.5	0	0	0	108.3	S11 I12 W28 L40 L59 I61 Y85	S11-L72 CarbonylContact C-O 3.51Å; S11-L72 VanDerWaalsContact CA-O 3.32Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.26Å; I12-L72 PolarHBondContact N-O 2.95Å; I12-L72 PolarHBondContact O-N 2.89Å; W28-L72 HydrophobicContact CB-CD1 4.37Å; W28-L72 HydrophobicContact CB-CD2 4.35Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.96Å; W28-L72 HydrophobicContact CD2-CG 4.24Å; W28-L72 VanDerWaalsContact CE2-CB 3.48Å; W28-L72 HydrophobicContact CE3-CB 3.98Å; W28-L72 HydrophobicContact CE3-CD2 3.82Å; W28-L72 HydrophobicContact CE3-CG 4.5Å; W28-L72 HydrophobicContact CG-CB 4.05Å; W28-L72 HydrophobicContact CG-CD1 4.14Å; W28-L72 HydrophobicContact CG-CD2 4.2Å; W28-L72 HydrophobicContact CG-CG 4.37Å; W28-L72 HydrophobicContact CH2-CB 4.07Å; W28-L72 HydrophobicContact CZ2-CB 3.72Å; W28-L72 HydrophobicContact CZ3-CB 4.2Å; W28-L72 HydrophobicContact CZ3-CD2 4.4Å; L40-L72 HydrophobicContact CD1-CD2 3.94Å; L59-L72 HydrophobicContact CD1-CD1 3.84Å; L59-L72 HydrophobicContact CD2-CD1 3.58Å; L59-L72 HydrophobicContact CG-CD1 3.62Å; I61-L72 HydrophobicContact CG1-CD1 3.96Å; L72-Y85 HydrophobicContact CD2-CD1 3.63Å; L72-Y85 HydrophobicContact CD2-CE1 4.07Å
73	K	94.1	Very high	92.9	Very high	100 Å²	100	51.8 Å²	51.8	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.2	170.9	-170.6	175.7	-177.2	-177.2	0	109.7	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.58Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.1Å; L59-K73 CarbonylContact C-O 3.43Å; L59-K73 WeakPolarHBondContact CA-O 3.21Å; S60-K73 PolarHBondContact N-O 2.82Å; S60-K73 PolarHBondContact O-N 3.43Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å
74	L	92.1	Very high	93	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.9	174.9	-173.3	62.8	0	0	0	108.7	S9 L10 R58 L59 L77 D81	S9-L74 CarbonylContact C-O 3.56Å; S9-L74 VanDerWaalsContact CA-O 3.29Å; S9-L74 WeakPolarHBondContact CA-O 2.98Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 2.91Å; L10-L74 PolarHBondContact O-N 3.04Å; R58-L74 HydrophobicContact CB-CD1 3.92Å; R58-L74 WeakPolarHBondContact O-CA 3Å; L59-L74 HydrophobicContact CB-CD1 4.22Å; L59-L74 HydrophobicContact CD1-CD1 4.32Å; L59-L74 HydrophobicContact CG-CD1 4.46Å; L74-L77 HydrophobicContact CB-CD2 4.42Å; L74-L77 HydrophobicContact CD2-CD2 3.68Å; L74-L77 HydrophobicContact CG-CD2 4.06Å; L74-D81 HydrophobicContact CD2-CB 3.95Å
75	N	91.3	Very high	93.1	Very high	52 Å²	52	48.3 Å²	48.3	28%	0.278	26%	0.264	S	S	.	.			trans	-94.5	156.8	179.7	-56	-53	0	0	0	110.6	S9 R58 K73 L77	S9-N75 PolarHBondContact OG-OD1 2.83Å; R58-N75 PolarHBondContact O-N 2.86Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å; N75-L77 PolarHBondContact O-N 3.07Å
76	S	88.9	Confident	93.2	Very high	68 Å²	68	47.1 Å²	47.1	48%	0.476	25%	0.254	S	S	.	.	S	Bend	trans	51.9	59.3	176.5	-56.6	0	0	0	0	111.7	Q8 R58	Q8-S76 PolarHBondContact O-N 3.26Å; R58-S76 PolarHBondContact NH1-O 2.51Å
77	L	88.9	Confident	93.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.224	C	C	.	.			trans	-55.3	138.7	-179.8	-76.7	170.8	0	0	0	112.1	V4 P6 S7 Q8 L10 L74 N75 D81 V106	V4-L77 HydrophobicContact CB-CD1 3.75Å; V4-L77 HydrophobicContact CG1-CD1 4.32Å; V4-L77 HydrophobicContact CG2-CD1 3.64Å; P6-L77 WeakPolarHBondContact CA-O 3.15Å; S7-L77 PolarHBondContact N-O 3.02Å; Q8-L77 WeakPolarHBondContact O-CG 3.36Å; Q8-L77 PolarHBondContact O-N 2.8Å; L10-L77 HydrophobicContact CB-CD1 3.88Å; L10-L77 HydrophobicContact CB-CD2 4Å; L10-L77 HydrophobicContact CB-CG 4.23Å; L10-L77 HydrophobicContact CD2-CD2 4.27Å; L74-L77 HydrophobicContact CB-CD2 4.42Å; L74-L77 HydrophobicContact CD2-CD2 3.68Å; L74-L77 HydrophobicContact CG-CD2 4.06Å; N75-L77 PolarHBondContact O-N 3.07Å; L77-D81 HydrophobicContact CD2-CB 3.93Å; L77-V106 HydrophobicContact CB-CG1 4.32Å; L77-V106 HydrophobicContact CB-CG2 4.27Å; L77-V106 HydrophobicContact CD1-CG2 4.29Å; L77-V106 HydrophobicContact CD2-CG2 4.22Å
78	Q	89.9	Confident	93.4	Very high	97 Å²	97	36.9 Å²	36.9	45%	0.453	20%	0.198	S	C	.	.			trans	-115.9	158.5	174.7	-62.4	176.6	-14	0	0	109.4	D80 D81 V106	Q78-D80 PolarHBondContact O-N 2.9Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.46Å; Q78-D81 PolarHBondContact O-N 3.42Å; Q78-V106 WeakPolarHBondContact O-CB 3.45Å; Q78-V106 WeakPolarHBondContact O-CG1 3.28Å
79	T	87.9	Confident	93.4	Very high	76 Å²	76	36 Å²	36	47%	0.466	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.7	-33.8	175.9	46.1	0	0	0	0	112.3	D81 T82	T79-D81 PolarHBondContact O-N 2.69Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.33Å; T79-T82 PolarHBondContact O-N 2.84Å; T79-T82 VanDerWaalsContact O-N 3.07Å; T79-T82 PolarHBondContact O-OG1 2.83Å
80	D	88.2	Confident	93.2	Very high	117 Å²	117	34.6 Å²	34.6	63%	0.626	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-69.6	-12.2	178.3	-67.2	4.9	0	0	0	113.6	Q78 T82	Q78-D80 PolarHBondContact O-N 2.9Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; D80-T82 PolarHBondContact O-N 2.87Å
81	D	90.8	Very high	92.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-81.9	0.9	172	-59.4	-43.9	0	0	0	112.2	R30 R58 L74 L77 Q78 T79 A83 Y85 V106	R30-D81 IonicContact NH1-OD1 2.95Å; R30-D81 PolarHBondContact NH1-OD1 3.31Å; R58-D81 IonicContact CZ-OD1 3.89Å; R58-D81 IonicContact CZ-OD2 3.52Å; R58-D81 IonicContact NH1-OD1 3.79Å; R58-D81 IonicContact NH1-OD2 2.73Å; R58-D81 PolarHBondContact NH1-OD2 3.17Å; R58-D81 IonicContact NH2-OD1 3.02Å; R58-D81 PolarHBondContact NH2-OD1 3.38Å; R58-D81 IonicContact NH2-OD2 3.36Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å; L74-D81 HydrophobicContact CD2-CB 3.95Å; L77-D81 HydrophobicContact CD2-CB 3.93Å; Q78-D81 PolarHBondContact N-OD2 2.79Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.46Å; Q78-D81 PolarHBondContact O-N 3.42Å; T79-D81 PolarHBondContact O-N 2.69Å; D81-A83 PolarHBondContact O-N 2.8Å; D81-A83 VanDerWaalsContact O-N 3.15Å; D81-Y85 WeakPolarHBondContact O-CE2 3.32Å; D81-Y85 PolarHBondContact O-OH 2.91Å; D81-V106 HydrophobicContact CB-CG2 4.41Å
82	T	93.6	Very high	91.9	Very high	32 Å²	32	45.3 Å²	45.3	20%	0.196	23%	0.228	C	C	.	.			trans	-63.9	111.5	169.7	-64.8	0	0	0	0	110.1	P33 T79 D80 V104 T105 V106	P33-T82 VanDerWaalsContact CD-O 3.28Å; P33-T82 WeakPolarHBondContact CD-O 3.32Å; P33-T82 HydrophobicContact CG-CG2 4.28Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.33Å; T79-T82 PolarHBondContact O-N 2.84Å; T79-T82 VanDerWaalsContact O-N 3.07Å; T79-T82 PolarHBondContact O-OG1 2.83Å; D80-T82 PolarHBondContact O-N 2.87Å; T82-V104 WeakPolarHBondContact CA-O 3.23Å; T82-T105 HydrophobicContact CG2-CG2 4.39Å; T82-V106 PolarHBondContact OG1-N 2.98Å; T82-V106 PolarHBondContact OG1-O 2.73Å
83	A	95.3	Very high	91	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	168	-176.3	0	0	0	0	0	111.4	R30 Q31 P32 D81 Y85 V104	R30-A83 HydrophobicContact CB-CB 3.87Å; R30-A83 HydrophobicContact CG-CB 4.26Å; Q31-A83 WeakPolarHBondContact O-CA 3.44Å; Q31-A83 WeakPolarHBondContact O-CB 3.41Å; P32-A83 HydrophobicContact CG-CB 4.44Å; D81-A83 PolarHBondContact O-N 2.8Å; D81-A83 VanDerWaalsContact O-N 3.15Å; A83-Y85 HydrophobicContact CB-CD2 4.33Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.44Å; A83-V104 PolarHBondContact N-O 2.87Å; A83-V104 VanDerWaalsContact N-O 3.15Å; A83-V104 PolarHBondContact O-N 2.98Å
84	T	96.6	Very high	90.4	Very high	28 Å²	28	51.7 Å²	51.7	17%	0.172	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.4	160.2	-55.7	0	0	0	0	109.1	R30 Q31 Y86 T103	R30-T84 CarbonylContact C-O 3.56Å; R30-T84 VanDerWaalsContact CA-O 3.27Å; R30-T84 WeakPolarHBondContact CA-O 3.33Å; Q31-T84 PolarHBondContact N-O 2.83Å; Q31-T84 PolarHBondContact O-N 2.95Å; T84-Y86 HydrophobicContact CG2-CE1 3.75Å; T84-Y86 HydrophobicContact CG2-CE2 3.8Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.47Å; T84-Y86 WeakPolarHBondContact O-CD2 3.34Å; T84-Y86 WeakPolarHBondContact O-CE2 3.25Å; T84-T103 PolarHBondContact OG1-OG1 3.33Å
85	Y	96.2	Very high	90.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.5	-177.9	-69.5	-100	0	0	0	110.4	I12 V29 R30 L40 L72 D81 A83 G101 T102 V104	I12-Y85 HydrophobicContact CD1-CD1 3.88Å; I12-Y85 HydrophobicContact CD1-CD2 3.81Å; I12-Y85 HydrophobicContact CD1-CG 3.42Å; I12-Y85 VanDerWaalsContact CD1-CG 3.42Å; V29-Y85 CarbonylContact O-C 3.47Å; R30-Y85 HydrophobicContact CB-CD1 3.87Å; R30-Y85 HydrophobicContact CB-CE1 3.91Å; R30-Y85 HydrophobicContact CB-CG 4.29Å; L40-Y85 HydrophobicContact CD1-CD1 3.77Å; L40-Y85 HydrophobicContact CD1-CE1 3.73Å; L72-Y85 HydrophobicContact CD2-CD1 3.63Å; L72-Y85 HydrophobicContact CD2-CE1 4.07Å; D81-Y85 WeakPolarHBondContact O-CE2 3.32Å; D81-Y85 PolarHBondContact O-OH 2.91Å; A83-Y85 HydrophobicContact CB-CD2 4.33Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.44Å; Y85-G101 CarbonylContact O-C 3.57Å; Y85-G101 WeakPolarHBondContact O-CA 3.46Å; Y85-T102 PolarHBondContact N-O 3.19Å; Y85-T102 PolarHBondContact O-N 3.25Å; Y85-V104 HydrophobicContact CD2-CB 4.17Å; Y85-V104 HydrophobicContact CD2-CG2 4Å; Y85-V104 HydrophobicContact CE2-CB 3.98Å; Y85-V104 HydrophobicContact CE2-CG2 4.24Å
86	Y	96.4	Very high	89.7	Confident	44 Å²	44	56.8 Å²	56.8	17%	0.173	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.9	-179.2	-52.6	-87.6	0	0	0	109.4	W28 V29 Q31 L37 T84 W98	W28-Y86 WeakPolarHBondContact CA-O 3.29Å; V29-Y86 PolarHBondContact N-O 2.79Å; V29-Y86 PolarHBondContact O-N 3.07Å; Q31-Y86 HydrophobicContact CB-CE2 3.84Å; Q31-Y86 PolarHBondContact OE1-OH 3.02Å; L37-Y86 HydrophobicContact CD2-CD2 4.27Å; L37-Y86 HydrophobicContact CD2-CE2 4.18Å; T84-Y86 HydrophobicContact CG2-CE1 3.75Å; T84-Y86 HydrophobicContact CG2-CE2 3.8Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.47Å; T84-Y86 WeakPolarHBondContact O-CD2 3.34Å; T84-Y86 WeakPolarHBondContact O-CE2 3.25Å; Y86-W98 HydrophobicContact CG-CE3 4.34Å
87	C	95.7	Very high	89.6	Confident	13 Å²	13	57.1 Å²	57.1	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.8	159.7	55.4	0	0	0	0	108.6	C14 V26 S27 W28 G99	C14-C87 HydrophobicContact CB-CB 3.46Å; C14-C87 VanDerWaalsContact CB-CB 3.46Å; C14-C87 WeakPolarHBondContact CB-SG 3.32Å; C14-C87 WeakPolarHBondContact SG-CB 3.42Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.76Å; V26-C87 HydrophobicContact CG1-CB 3.97Å; S27-C87 CarbonylContact O-C 3.57Å; S27-C87 VanDerWaalsContact O-CA 3.25Å; S27-C87 WeakPolarHBondContact O-CA 3.39Å; W28-C87 HydrophobicContact CD2-CB 4.38Å; W28-C87 HydrophobicContact CE3-CB 4.22Å; W28-C87 HydrophobicContact CH2-CB 4.22Å; W28-C87 HydrophobicContact CZ2-CB 4.36Å; W28-C87 HydrophobicContact CZ3-CB 4.14Å; C87-G99 PolarHBondContact O-N 3.03Å
88	A	95.6	Very high	89.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.9	175.7	0	0	0	0	0	109.9	V26 S27 E90 F95 V97 W98	V26-A88 CarbonylContact C-O 3.54Å; V26-A88 WeakPolarHBondContact CA-O 3.45Å; S27-A88 PolarHBondContact N-O 2.86Å; S27-A88 PolarHBondContact O-N 3.39Å; A88-E90 PolarHBondContact O-N 2.79Å; A88-F95 HydrophobicContact CB-CB 4.36Å; A88-F95 HydrophobicContact CB-CD1 3.72Å; A88-F95 HydrophobicContact CB-CE1 4.39Å; A88-F95 HydrophobicContact CB-CG 4.27Å; A88-V97 CarbonylContact C-O 3.42Å; A88-V97 WeakPolarHBondContact CA-O 3.44Å; A88-W98 HydrophobicContact CB-CD2 3.75Å; A88-W98 HydrophobicContact CB-CE3 3.92Å; A88-W98 HydrophobicContact CB-CG 4.21Å; A88-W98 HydrophobicContact CB-CH2 4.34Å; A88-W98 HydrophobicContact CB-CZ2 4.18Å; A88-W98 HydrophobicContact CB-CZ3 4.22Å
89	K	95.1	Very high	89.9	Confident	29 Å²	29	58.5 Å²	58.5	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.3	166.4	174.9	-174.5	147.2	-167.3	0	108.3	F19 Y24 F95 D96 V97	F19-K89 HydrophobicContact CB-CD 4.37Å; F19-K89 HydrophobicContact CD1-CB 4.42Å; F19-K89 HydrophobicContact CD1-CD 3.85Å; F19-K89 HydrophobicContact CD1-CG 4.34Å; F19-K89 HydrophobicContact CD2-CD 4.3Å; F19-K89 HydrophobicContact CD2-CG 4.32Å; F19-K89 HydrophobicContact CE1-CB 3.82Å; F19-K89 HydrophobicContact CE1-CD 4.12Å; F19-K89 HydrophobicContact CE1-CG 4.16Å; F19-K89 HydrophobicContact CE2-CB 4.33Å; F19-K89 HydrophobicContact CE2-CG 4.14Å; F19-K89 HydrophobicContact CG-CD 3.93Å; F19-K89 HydrophobicContact CG-CG 4.41Å; F19-K89 HydrophobicContact CZ-CB 3.75Å; F19-K89 HydrophobicContact CZ-CD 4.44Å; F19-K89 HydrophobicContact CZ-CG 4.04Å; Y24-K89 HydrophobicContact CG-CD 4.37Å; Y24-K89 HydrophobicContact CG-CG 4.4Å; K89-F95 WeakPolarHBondContact O-CA 3.4Å; K89-D96 VanDerWaalsContact CB-OD1 3.24Å; K89-D96 WeakPolarHBondContact CB-OD1 3.41Å; K89-D96 WeakPolarHBondContact CD-OD1 3.5Å; K89-D96 VanDerWaalsContact CE-OD1 3.29Å; K89-D96 WeakPolarHBondContact CE-OD1 3.38Å; K89-D96 WeakPolarHBondContact CE-OD2 3.46Å; K89-D96 WeakPolarHBondContact CG-OD1 3.26Å; K89-D96 IonicContact NZ-OD1 3.79Å; K89-D96 IonicContact NZ-OD2 2.61Å; K89-D96 PolarHBondContact NZ-OD2 3.36Å; K89-V97 HydrophobicContact CB-CB 4.04Å; K89-V97 HydrophobicContact CD-CG2 4.36Å; K89-V97 PolarHBondContact N-O 3.29Å
90	E	91.1	Very high	90	Very high	14 Å²	14	62 Å²	62	7%	0.065	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130	-178.1	172.6	101.4	-129.8	0	0	109.5	G25 S27 V42 W44 A88 G93 F95	G25-E90 PolarHBondContact N-O 3.24Å; G25-E90 PolarHBondContact O-N 3.32Å; S27-E90 WeakPolarHBondContact CB-OE2 3.37Å; S27-E90 PolarHBondContact OG-OE2 3.21Å; V42-E90 HydrophobicContact CG2-CB 4.16Å; V42-E90 HydrophobicContact CG2-CG 4.01Å; W44-E90 HydrophobicContact CE3-CG 4.49Å; W44-E90 HydrophobicContact CH2-CG 3.41Å; W44-E90 VanDerWaalsContact CH2-CG 3.41Å; W44-E90 HydrophobicContact CZ2-CG 4.35Å; W44-E90 HydrophobicContact CZ3-CB 4.45Å; W44-E90 HydrophobicContact CZ3-CG 3.5Å; W44-E90 VanDerWaalsContact CZ3-CG 3.5Å; A88-E90 PolarHBondContact O-N 2.79Å; E90-G93 VanDerWaalsContact OE1-CA 3.23Å; E90-G93 WeakPolarHBondContact OE1-CA 3.32Å; E90-G93 PolarHBondContact OE1-N 3.37Å; E90-F95 HydrophobicContact CB-CD1 4.43Å; E90-F95 HydrophobicContact CB-CE1 4.15Å; E90-F95 VanDerWaalsContact CD-CE1 3.48Å; E90-F95 HydrophobicContact CG-CE1 4.39Å; E90-F95 WeakPolarHBondContact OE2-CE1 3.44Å; E90-F95 VanDerWaalsContact OE2-CZ 3.23Å; E90-F95 WeakPolarHBondContact OE2-CZ 3.45Å
91	N	87.7	Confident	90.2	Very high	70 Å²	70	57.3 Å²	57.3	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	90.8	170.1	-172.3	25	0	0	0	110.2	Y24 G93 Y94	Y24-N91 HydrophobicContact CD1-CB 4.15Å; Y24-N91 HydrophobicContact CE1-CB 4.41Å; N91-G93 VanDerWaalsContact C-N 3.34Å; N91-G93 PolarHBondContact O-N 3.08Å; N91-Y94 PolarHBondContact N-O 2.8Å; N91-Y94 PolarHBondContact O-N 3.01Å
92	Y	79	Confident	90.4	Very high	197 Å²	197	59.9 Å²	59.9	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	48.8	176.5	-61.7	-76.1	0	0	0	114.6
93	G	76.2	Confident	90.4	Very high	55 Å²	55	61.7 Å²	61.7	57%	0.567	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-0.6	177.5	0	0	0	0	0	115.3	E90 N91	E90-G93 VanDerWaalsContact OE1-CA 3.23Å; E90-G93 WeakPolarHBondContact OE1-CA 3.32Å; E90-G93 PolarHBondContact OE1-N 3.37Å; N91-G93 VanDerWaalsContact C-N 3.34Å; N91-G93 PolarHBondContact O-N 3.08Å
94	Y	82.8	Confident	90.2	Very high	180 Å²	180	61.6 Å²	61.6	71%	0.706	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	173.6	-66.4	-83.7	0	0	0	111.7	N91	N91-Y94 PolarHBondContact N-O 2.8Å; N91-Y94 PolarHBondContact O-N 3.01Å
95	F	85.9	Confident	89.9	Confident	77 Å²	77	63.4 Å²	63.4	34%	0.338	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.4	170.3	-60.7	-57	0	0	0	110.6	W39 A88 K89 E90 W98	W39-F95 AromaticContact CD1-CZ 3.92Å; A88-F95 HydrophobicContact CB-CB 4.36Å; A88-F95 HydrophobicContact CB-CD1 3.72Å; A88-F95 HydrophobicContact CB-CE1 4.39Å; A88-F95 HydrophobicContact CB-CG 4.27Å; K89-F95 WeakPolarHBondContact O-CA 3.4Å; E90-F95 HydrophobicContact CB-CD1 4.43Å; E90-F95 HydrophobicContact CB-CE1 4.15Å; E90-F95 VanDerWaalsContact CD-CE1 3.48Å; E90-F95 HydrophobicContact CG-CE1 4.39Å; E90-F95 WeakPolarHBondContact OE2-CE1 3.44Å; E90-F95 VanDerWaalsContact OE2-CZ 3.23Å; E90-F95 WeakPolarHBondContact OE2-CZ 3.45Å; F95-W98 HydrophobicContact CB-CZ2 3.62Å; F95-W98 HydrophobicContact CD2-CH2 4.42Å; F95-W98 AromaticContact CD2-CZ2 3.89Å; F95-W98 HydrophobicContact CD2-CZ2 3.89Å; F95-W98 AromaticContact CG-CZ2 3.79Å; F95-W98 HydrophobicContact CG-CZ2 3.79Å
96	D	82.3	Confident	89.4	Confident	85 Å²	85	63.6 Å²	63.6	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-37.7	-174.9	64.5	-24.1	0	0	0	113.9	K89	K89-D96 VanDerWaalsContact CB-OD1 3.24Å; K89-D96 WeakPolarHBondContact CB-OD1 3.41Å; K89-D96 WeakPolarHBondContact CD-OD1 3.5Å; K89-D96 VanDerWaalsContact CE-OD1 3.29Å; K89-D96 WeakPolarHBondContact CE-OD1 3.38Å; K89-D96 WeakPolarHBondContact CE-OD2 3.46Å; K89-D96 WeakPolarHBondContact CG-OD1 3.26Å; K89-D96 IonicContact NZ-OD1 3.79Å; K89-D96 IonicContact NZ-OD2 2.61Å; K89-D96 PolarHBondContact NZ-OD2 3.36Å
97	V	86.9	Confident	88.7	Confident	74 Å²	74	63.9 Å²	63.9	45%	0.448	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119	179.9	-176.2	0	0	0	0	110.1	A88 K89	A88-V97 CarbonylContact C-O 3.42Å; A88-V97 WeakPolarHBondContact CA-O 3.44Å; K89-V97 HydrophobicContact CB-CB 4.04Å; K89-V97 HydrophobicContact CD-CG2 4.36Å; K89-V97 PolarHBondContact N-O 3.29Å
98	W	92.9	Very high	87.4	Confident	102 Å²	102	71 Å²	71	39%	0.386	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.4	-179.6	-68.1	74.3	0	0	0	111.5	V29 L37 Y86 A88 F95	V29-W98 HydrophobicContact CB-CH2 4.17Å; V29-W98 HydrophobicContact CB-CZ3 3.84Å; V29-W98 HydrophobicContact CG1-CH2 4.14Å; V29-W98 HydrophobicContact CG1-CZ3 4.04Å; V29-W98 HydrophobicContact CG2-CH2 3.85Å; V29-W98 HydrophobicContact CG2-CZ3 3.92Å; L37-W98 HydrophobicContact CD1-CH2 4.19Å; Y86-W98 HydrophobicContact CG-CE3 4.34Å; A88-W98 HydrophobicContact CB-CD2 3.75Å; A88-W98 HydrophobicContact CB-CE3 3.92Å; A88-W98 HydrophobicContact CB-CG 4.21Å; A88-W98 HydrophobicContact CB-CH2 4.34Å; A88-W98 HydrophobicContact CB-CZ2 4.18Å; A88-W98 HydrophobicContact CB-CZ3 4.22Å; F95-W98 HydrophobicContact CB-CZ2 3.62Å; F95-W98 HydrophobicContact CD2-CH2 4.42Å; F95-W98 AromaticContact CD2-CZ2 3.89Å; F95-W98 HydrophobicContact CD2-CZ2 3.89Å; F95-W98 AromaticContact CG-CZ2 3.79Å; F95-W98 HydrophobicContact CG-CZ2 3.79Å
99	G	91.2	Very high	87	Confident	28 Å²	28	74.5 Å²	74.5	29%	0.289	42%	0.417	S	S	.	.			trans	-69.6	160.8	167.1	0	0	0	0	0	111.7	C87 G101	C87-G99 PolarHBondContact O-N 3.03Å; G99-G101 PolarHBondContact O-N 3.39Å
100	T	91.1	Very high	86.5	Confident	149 Å²	149	76.8 Å²	76.8	91%	0.914	43%	0.432	S	S	*	.			trans	-64.9	-11.6	-178.3	53.9	0	0	0	0	114.4
101	G	92.4	Very high	86.3	Confident	20 Å²	20	80.3 Å²	80.3	21%	0.206	45%	0.453	C	S	.	.			trans	86.3	151	-176.5	0	0	0	0	0	113.2	Y85 G99	Y85-G101 CarbonylContact O-C 3.57Å; Y85-G101 WeakPolarHBondContact O-CA 3.46Å; G99-G101 PolarHBondContact O-N 3.39Å
102	T	93.9	Very high	86.2	Confident	54 Å²	54	80.9 Å²	80.9	33%	0.331	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.9	171.4	-63.2	0	0	0	0	108.9	I12 Y85 V104	I12-T102 HydrophobicContact CG2-CG2 4.42Å; Y85-T102 PolarHBondContact N-O 3.19Å; Y85-T102 PolarHBondContact O-N 3.25Å; T102-V104 HydrophobicContact CG2-CG2 4.19Å
103	T	93.9	Very high	86.7	Confident	70 Å²	70	73.7 Å²	73.7	43%	0.429	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	175.3	-51.4	0	0	0	0	110.4	T84	T84-T103 PolarHBondContact OG1-OG1 3.33Å
104	V	91.6	Very high	87.3	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.012	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.1	177.6	179.7	0	0	0	0	108.7	V4 L10 I12 T82 A83 Y85 T102	V4-V104 HydrophobicContact CG2-CG1 3.55Å; L10-V104 HydrophobicContact CD1-CG1 4.22Å; L10-V104 HydrophobicContact CD1-CG2 4.15Å; L10-V104 HydrophobicContact CD2-CB 4.39Å; L10-V104 HydrophobicContact CD2-CG1 3.94Å; L10-V104 HydrophobicContact CD2-CG2 4.03Å; I12-V104 HydrophobicContact CD1-CG2 4.26Å; T82-V104 WeakPolarHBondContact CA-O 3.23Å; A83-V104 PolarHBondContact N-O 2.87Å; A83-V104 VanDerWaalsContact N-O 3.15Å; A83-V104 PolarHBondContact O-N 2.98Å; Y85-V104 HydrophobicContact CD2-CB 4.17Å; Y85-V104 HydrophobicContact CD2-CG2 4Å; Y85-V104 HydrophobicContact CE2-CB 3.98Å; Y85-V104 HydrophobicContact CE2-CG2 4.24Å; T102-V104 HydrophobicContact CG2-CG2 4.19Å
105	T	90.4	Very high	87.7	Confident	65 Å²	65	67.4 Å²	67.4	40%	0.399	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	178.1	-54.2	0	0	0	0	108.9	L3 V4 T82	L3-T105 HydrophobicContact CD1-CG2 4.14Å; V4-T105 PolarHBondContact N-O 2.59Å; V4-T105 VanDerWaalsContact N-O 3.12Å; T82-T105 HydrophobicContact CG2-CG2 4.39Å
106	V	86.3	Confident	87.8	Confident	6 Å²	6	66.7 Å²	66.7	4%	0.036	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112	174.8	-173.9	0	0	0	0	107.9	V4 P6 L77 Q78 D81 T82	V4-V106 HydrophobicContact CG2-CG2 3.85Å; V4-V106 WeakPolarHBondContact O-CA 3.38Å; P6-V106 HydrophobicContact CG-CG1 4.27Å; L77-V106 HydrophobicContact CB-CG1 4.32Å; L77-V106 HydrophobicContact CB-CG2 4.27Å; L77-V106 HydrophobicContact CD1-CG2 4.29Å; L77-V106 HydrophobicContact CD2-CG2 4.22Å; Q78-V106 WeakPolarHBondContact O-CB 3.45Å; Q78-V106 WeakPolarHBondContact O-CG1 3.28Å; D81-V106 HydrophobicContact CB-CG2 4.41Å; T82-V106 PolarHBondContact OG1-N 2.98Å; T82-V106 PolarHBondContact OG1-O 2.73Å
107	S	81.3	Confident	88.3	Confident	51 Å²	51	65.2 Å²	65.2	36%	0.357	41%	0.411	S	S	.	.			trans	-126.5	141.6	178.7	62.7	0	0	0	0	110.7	L3 P6	L3-S107 WeakPolarHBondContact CD1-OG 3.22Å; P6-S107 WeakPolarHBondContact CD-O 3.32Å
108	S	67.6	Low	88.4	Confident	161 Å²	161	64.4 Å²	64.4	100%	1.126	41%	0.408	S	S	*	.			trans	-67.8	0	172.6	57.5	0	0	0	0	113

Retrieved 108 of 108 residues in 24.5 ms (Link to these results)

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