X5J4H3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4H3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J4H3_MOUSE|X5J4H3
AELVRPGVSVKISCKVSGYTFTDYAMHCVKQSHAKSLEWIGVISTYNGDASYNQKFKGKATMTVDKSSSTSYMELARLTSEDTAVYYCANWFDSWGQGTTLTVSS
					

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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	A	73.4	Confident	90.8	Very high	117 Å²	117	80.6 Å²	80.6	97%	0.967	46%	0.463	S	S	*	.				0	135.1	0	0	0	0	0	0	107.8	T100	A1-T100 CarbonylContact C-O 3.47Å; A1-T100 WeakPolarHBondContact CA-O 3.28Å; A1-T100 HydrophobicContact CB-CG2 4.33Å
2	E	83.8	Confident	90.9	Very high	75 Å²	75	74.2 Å²	74.2	35%	0.35	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	-175.9	-163.1	177.8	164.6	0	0	109.2	V4 V10 T100 L101 T102	E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 WeakPolarHBondContact OE1-CG1 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG1 3.46Å; E2-T100 PolarHBondContact N-O 3.38Å; E2-L101 HydrophobicContact CB-CD1 4.07Å; E2-L101 HydrophobicContact CG-CD1 4.48Å; E2-T102 PolarHBondContact O-N 3Å
3	L	90.6	Very high	91	Very high	122 Å²	122	74 Å²	74	64%	0.639	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.1	177.8	-178.3	68	0	0	0	108.8	T102 S104	L3-T102 WeakPolarHBondContact CA-O 3.34Å; L3-T102 HydrophobicContact CD1-CG2 3.61Å; L3-S104 WeakPolarHBondContact CD1-OG 3.32Å
4	V	93	Very high	90.8	Very high	18 Å²	18	68.7 Å²	68.7	11%	0.109	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.3	-173.4	-59.5	0	0	0	0	112.6	E2 V8 V10 L78 L101 T102 V103 S104	E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-V8 HydrophobicContact CB-CG2 3.87Å; V4-V8 HydrophobicContact CG1-CG2 4.47Å; V4-V8 HydrophobicContact CG2-CG2 4.23Å; V4-V10 HydrophobicContact CB-CG2 4.35Å; V4-V10 HydrophobicContact CG1-CG2 3.69Å; V4-V10 HydrophobicContact CG2-CG2 4.24Å; V4-L78 HydrophobicContact CG2-CD1 3.63Å; V4-L101 HydrophobicContact CG1-CD1 4.34Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V4-T102 PolarHBondContact N-O 2.8Å; V4-V103 HydrophobicContact CG2-CB 4.46Å; V4-V103 HydrophobicContact CG2-CG2 3.91Å; V4-V103 WeakPolarHBondContact O-CA 3.42Å; V4-S104 PolarHBondContact O-N 3.01Å
5	R	92.8	Very high	90.3	Very high	193 Å²	193	73.5 Å²	73.5	73%	0.728	42%	0.415	S	S	*	.			trans	-81.9	151.7	174.9	-64.6	-178.2	-177.6	178.6	0.3	110.6	V8	R5-V8 HydrophobicContact CB-CG1 4.5Å; R5-V8 VanDerWaalsContact O-CG2 3.28Å; R5-V8 WeakPolarHBondContact O-CG2 3.18Å
6	P	93.9	Very high	89.4	Confident	69 Å²	69	69.9 Å²	69.9	45%	0.448	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	148.5	172	-23.3	32.1	0	0	0	112.4	V8 L78 V103 S104	P6-V8 VanDerWaalsContact C-N 3.3Å; P6-V8 PolarHBondContact O-N 3.4Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å; P6-V103 HydrophobicContact CB-CG1 4.33Å; P6-V103 HydrophobicContact CG-CG1 4.07Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å
7	G	92.8	Very high	88.7	Confident	51 Å²	51	72.1 Å²	72.1	53%	0.526	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-14.4	175.6	0	0	0	0	0	115.4	L78	G7-L78 PolarHBondContact N-O 2.9Å
8	V	94.3	Very high	87.9	Confident	60 Å²	60	73 Å²	73	36%	0.364	44%	0.443	S	S	.	.			trans	-77.4	160.5	175.3	-48.7	0	0	0	0	111.4	V4 R5 P6 V10 R77 L78	V4-V8 HydrophobicContact CB-CG2 3.87Å; V4-V8 HydrophobicContact CG1-CG2 4.47Å; V4-V8 HydrophobicContact CG2-CG2 4.23Å; R5-V8 HydrophobicContact CB-CG1 4.5Å; R5-V8 VanDerWaalsContact O-CG2 3.28Å; R5-V8 WeakPolarHBondContact O-CG2 3.18Å; P6-V8 VanDerWaalsContact C-N 3.3Å; P6-V8 PolarHBondContact O-N 3.4Å; V8-V10 HydrophobicContact CG2-CG2 4.34Å; V8-R77 PolarHBondContact O-N 2.81Å; V8-L78 HydrophobicContact CG2-CD1 4.35Å; V8-L78 WeakPolarHBondContact O-CB 3.42Å; V8-L78 WeakPolarHBondContact O-CG 3.15Å; V8-L78 PolarHBondContact O-N 2.73Å
9	S	95.1	Very high	87	Confident	61 Å²	61	71.4 Å²	71.4	43%	0.427	43%	0.429	S	S	.	.			trans	-100.9	145	168.1	-57.1	0	0	0	0	110	L75 A76	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; S9-A76 WeakPolarHBondContact OG-CA 3.42Å
10	V	94.3	Very high	86.6	Confident	5 Å²	5	72 Å²	72	3%	0.03	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139	177.5	168.7	0	0	0	0	109.8	E2 V4 V8 I12 E74 L75 L78 L101	E2-V10 WeakPolarHBondContact OE1-CG1 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG1 3.46Å; V4-V10 HydrophobicContact CB-CG2 4.35Å; V4-V10 HydrophobicContact CG1-CG2 3.69Å; V4-V10 HydrophobicContact CG2-CG2 4.24Å; V8-V10 HydrophobicContact CG2-CG2 4.34Å; V10-I12 HydrophobicContact CG1-CG1 4.09Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.46Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 3.87Å; V10-L78 HydrophobicContact CG2-CD1 3.44Å; V10-L78 VanDerWaalsContact CG2-CD1 3.44Å; V10-L101 HydrophobicContact CB-CD1 4.49Å; V10-L101 HydrophobicContact CG1-CD1 4.24Å; V10-L101 HydrophobicContact CG2-CD1 4.19Å
11	K	94.4	Very high	86.3	Confident	116 Å²	116	69.1 Å²	69.1	50%	0.504	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112	176.8	-171.8	175.2	-180	177.9	0	110.2	Y72	K11-Y72 HydrophobicContact CD-CD1 4.23Å; K11-Y72 HydrophobicContact CD-CG 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.1Å; K11-Y72 HydrophobicContact CG-CG 4.37Å
12	I	92.5	Very high	86.6	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.015	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.8	179.7	-56.9	178	0	0	0	108.8	V10 Y72 M73 L75 Y86 T99	V10-I12 HydrophobicContact CG1-CG1 4.09Å; I12-Y72 CarbonylContact O-C 3.58Å; I12-Y72 VanDerWaalsContact O-CA 3.27Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; I12-M73 HydrophobicContact CD1-CE 4.04Å; I12-M73 PolarHBondContact N-O 2.83Å; I12-M73 PolarHBondContact O-N 3.4Å; I12-L75 HydrophobicContact CD1-CD1 3.85Å; I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.73Å; I12-T99 HydrophobicContact CG2-CG2 4.32Å
13	S	91.8	Very high	86.4	Confident	72 Å²	72	66.8 Å²	66.8	50%	0.503	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.5	173.5	59.9	0	0	0	0	111.4
14	C	87.9	Confident	85.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	110	174.1	-72.6	0	0	0	0	109.6	M26 S71 C88	C14-M26 HydrophobicContact CB-CG 4.2Å; C14-S71 WeakPolarHBondContact CA-O 3.19Å; C14-S71 WeakPolarHBondContact CB-O 2.99Å; C14-S71 WeakPolarHBondContact CB-OG 3.1Å; C14-S71 PolarHBondContact N-O 3.39Å; C14-S71 PolarHBondContact O-N 2.9Å; C14-S71 VanDerWaalsContact O-N 3.1Å; C14-S71 PolarHBondContact O-OG 2.96Å; C14-C88 WeakPolarHBondContact CA-SG 3.35Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 2.99Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å
15	K	84.1	Confident	85.7	Confident	141 Å²	141	65 Å²	65	61%	0.613	38%	0.38	S	S	*	.			trans	-133.6	124.7	172.9	-167.1	170.9	-174.7	168.8	0	109.1
16	V	76.4	Confident	85.7	Confident	15 Å²	15	55.8 Å²	55.8	9%	0.091	35%	0.345	C	S	.	.			trans	-115.4	143.7	171.7	-177.5	0	0	0	0	106	Y19 M26	V16-Y19 HydrophobicContact CB-CE1 3.44Å; V16-Y19 VanDerWaalsContact CB-CE1 3.44Å; V16-Y19 HydrophobicContact CG1-CD1 4.36Å; V16-Y19 HydrophobicContact CG1-CE1 3.63Å; V16-Y19 WeakPolarHBondContact O-CE1 3.37Å; V16-Y19 PolarHBondContact O-OH 3.06Å; V16-Y19 VanDerWaalsContact O-OH 3.13Å; V16-M26 HydrophobicContact CB-CE 4.26Å; V16-M26 HydrophobicContact CG2-CE 3.92Å; V16-M26 HydrophobicContact CG2-SD 3.94Å
17	S	77.4	Confident	85.6	Confident	108 Å²	108	54.9 Å²	54.9	76%	0.755	34%	0.335	S	S	*	.			trans	-96.3	161.9	-179.1	51.4	0	0	0	0	112.4
18	G	73	Confident	85.7	Confident	88 Å²	88	52.5 Å²	52.5	91%	0.907	31%	0.31	S	S	*	.	S	Bend	trans	88.8	18.3	167.7	0	0	0	0	0	116.4
19	Y	70.9	Confident	85.7	Confident	43 Å²	43	50.2 Å²	50.2	17%	0.169	30%	0.296	C	S	.	.	S	Bend	trans	-148.9	163.2	175.9	62.5	-79.7	0	0	0	111.7	V16 F21 Y24 M26 N90	V16-Y19 HydrophobicContact CB-CE1 3.44Å; V16-Y19 VanDerWaalsContact CB-CE1 3.44Å; V16-Y19 HydrophobicContact CG1-CD1 4.36Å; V16-Y19 HydrophobicContact CG1-CE1 3.63Å; V16-Y19 WeakPolarHBondContact O-CE1 3.37Å; V16-Y19 PolarHBondContact O-OH 3.06Å; V16-Y19 VanDerWaalsContact O-OH 3.13Å; Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.27Å; Y19-F21 PolarHBondContact O-N 2.9Å; Y19-Y24 AromaticContact CD2-CD2 3.64Å; Y19-Y24 HydrophobicContact CD2-CD2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 4.3Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 HydrophobicContact CG-CD2 4.25Å; Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; Y19-N90 WeakPolarHBondContact CD1-ND2 3.37Å
20	T	80.1	Confident	85.6	Confident	82 Å²	82	48.1 Å²	48.1	50%	0.503	28%	0.279	S	S	.	.			trans	-70.7	111.5	169.2	-53.9	0	0	0	0	109.1	T22 D23	T20-T22 PolarHBondContact O-N 3.14Å; T20-D23 WeakPolarHBondContact CB-OD2 3.3Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.27Å; T20-D23 PolarHBondContact O-N 3.13Å; T20-D23 VanDerWaalsContact O-N 3.1Å
21	F	79.9	Confident	85.6	Confident	13 Å²	13	50.6 Å²	50.6	6%	0.057	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.2	-37.2	-169.9	176.3	-105.5	0	0	0	113.8	Y19 D23 T45 V64 S69	Y19-F21 HydrophobicContact CE2-CB 4.5Å; Y19-F21 HydrophobicContact CE2-CD2 4.27Å; Y19-F21 PolarHBondContact O-N 2.9Å; F21-D23 VanDerWaalsContact C-N 3.32Å; F21-D23 PolarHBondContact O-N 2.95Å; F21-T45 HydrophobicContact CD2-CG2 4.23Å; F21-T45 HydrophobicContact CE1-CG2 4.07Å; F21-T45 HydrophobicContact CE2-CG2 3.72Å; F21-T45 HydrophobicContact CZ-CG2 3.62Å; F21-T45 WeakPolarHBondContact O-CB 3.39Å; F21-T45 PolarHBondContact O-OG1 2.63Å; F21-V64 HydrophobicContact CE1-CG1 3.63Å; F21-V64 HydrophobicContact CZ-CG1 3.94Å; F21-S69 VanDerWaalsContact CD1-CA 3.46Å; F21-S69 VanDerWaalsContact CD2-O 3.31Å; F21-S69 WeakPolarHBondContact CD2-O 3.1Å; F21-S69 WeakPolarHBondContact CE2-O 3.45Å
22	T	80.4	Confident	85.3	Confident	47 Å²	47	46.2 Å²	46.2	29%	0.288	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-76.5	-9.5	-175.2	50.5	0	0	0	0	115.6	T20 T45 Y46	T20-T22 PolarHBondContact O-N 3.14Å; T22-T45 WeakPolarHBondContact CA-OG1 3.47Å; T22-T45 PolarHBondContact O-OG1 3.37Å; T22-Y46 WeakPolarHBondContact O-CA 3.31Å; T22-Y46 VanDerWaalsContact O-CB 3.3Å; T22-Y46 WeakPolarHBondContact O-CB 3.48Å; T22-Y46 PolarHBondContact O-N 2.86Å
23	D	79.6	Confident	84.6	Confident	95 Å²	95	53.2 Å²	53.2	51%	0.508	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-95.3	-2.3	-167.5	-64.1	-4.8	0	0	0	112.8	T20 F21	T20-D23 WeakPolarHBondContact CB-OD2 3.3Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.27Å; T20-D23 PolarHBondContact O-N 3.13Å; T20-D23 VanDerWaalsContact O-N 3.1Å; F21-D23 VanDerWaalsContact C-N 3.32Å; F21-D23 PolarHBondContact O-N 2.95Å
24	Y	79.8	Confident	83.8	Confident	71 Å²	71	54 Å²	54	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	-139.6	154.5	-168.4	-59.4	-78	0	0	0	113.8	Y19 T45 W91 F92	Y19-Y24 AromaticContact CD2-CD2 3.64Å; Y19-Y24 HydrophobicContact CD2-CD2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 4.3Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 HydrophobicContact CG-CD2 4.25Å; Y24-T45 WeakPolarHBondContact O-CB 3.48Å; Y24-T45 WeakPolarHBondContact O-CG2 3.27Å; Y24-T45 PolarHBondContact O-N 3.22Å; Y24-T45 PolarHBondContact O-OG1 2.94Å; Y24-W91 HydrophobicContact CD1-CB 4.45Å; Y24-F92 HydrophobicContact CD1-CE2 4.06Å; Y24-F92 HydrophobicContact CE1-CD2 4.23Å; Y24-F92 AromaticContact CE1-CE2 3.33Å; Y24-F92 HydrophobicContact CE1-CE2 3.33Å; Y24-F92 AromaticContact CE1-CZ 3.72Å; Y24-F92 HydrophobicContact CE1-CZ 3.72Å; Y24-F92 HydrophobicContact CE2-CE2 4.06Å; Y24-F92 AromaticContact CZ-CE2 3.34Å; Y24-F92 AromaticContact CZ-CZ 3.86Å; Y24-F92 WeakPolarHBondContact OH-CE2 3.35Å
25	A	89.1	Confident	83	Confident	31 Å²	31	62.4 Å²	62.4	26%	0.256	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	143.6	169.9	0	0	0	0	0	110.8	V42 I43	A25-V42 HydrophobicContact CB-CG2 3.53Å; A25-I43 CarbonylContact C-O 3.54Å; A25-I43 WeakPolarHBondContact CA-O 3.41Å
26	M	91.4	Very high	83.1	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.2	173.8	-172.5	68.2	58.4	0	0	109.6	C14 V16 Y19 V42 I43 T45 S71 C88	C14-M26 HydrophobicContact CB-CG 4.2Å; V16-M26 HydrophobicContact CB-CE 4.26Å; V16-M26 HydrophobicContact CG2-CE 3.92Å; V16-M26 HydrophobicContact CG2-SD 3.94Å; Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; M26-V42 CarbonylContact O-C 3.55Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.2Å; M26-I43 PolarHBondContact O-N 2.85Å; M26-T45 HydrophobicContact CB-CG2 4.43Å; M26-S71 WeakPolarHBondContact CG-OG 3.2Å; M26-C88 HydrophobicContact CG-CB 4.2Å; M26-C88 HydrophobicContact SD-CB 3.78Å
27	H	92.9	Very high	83.8	Confident	50 Å²	50	61.8 Å²	61.8	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.8	174.1	-65.2	-102.6	0	0	0	110	W39 G41 C88 A89	H27-W39 AromaticContact ND1-NE1 3.32Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; H27-G41 WeakPolarHBondContact CA-O 3.48Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.17Å; H27-A89 PolarHBondContact N-O 3.3Å; H27-A89 PolarHBondContact O-N 2.79Å
28	C	93.8	Very high	84.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.4	171.4	-70.4	0	0	0	0	110.3	I40 G41 M62 M73 Y87	C28-I40 HydrophobicContact CB-CB 4.23Å; C28-I40 HydrophobicContact CB-CD1 4.38Å; C28-I40 WeakPolarHBondContact O-CB 3.43Å; C28-I40 PolarHBondContact O-N 2.75Å; C28-G41 PolarHBondContact N-O 2.81Å; C28-G41 PolarHBondContact O-N 3.42Å; C28-M62 HydrophobicContact CB-CE 3.96Å; C28-M62 HydrophobicContact CB-SD 4.47Å; C28-M62 WeakPolarHBondContact SG-CE 3.5Å; C28-M73 HydrophobicContact CB-CE 4.21Å; C28-M73 HydrophobicContact CB-SD 3.51Å; C28-M73 VanDerWaalsContact CB-SD 3.51Å; C28-Y87 WeakPolarHBondContact CA-O 3.47Å
29	V	94.1	Very high	85.5	Confident	13 Å²	13	59.1 Å²	59.1	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.2	-173.4	-174.4	0	0	0	0	109.4	L37 E38 Y86 Y87 W95	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.42Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.53Å; V29-W95 HydrophobicContact CB-CH2 4.45Å; V29-W95 HydrophobicContact CB-CZ3 4.29Å; V29-W95 HydrophobicContact CG1-CH2 4.42Å; V29-W95 HydrophobicContact CG1-CZ3 4.5Å; V29-W95 HydrophobicContact CG2-CH2 4.2Å; V29-W95 HydrophobicContact CG2-CZ3 4.37Å
30	K	94.4	Very high	86.7	Confident	16 Å²	16	57 Å²	57	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	170.6	-178.7	-176.9	179.3	-177.7	0	108.9	L37 E38 I40 F56 E81 A84 Y86	K30-L37 CarbonylContact O-C 3.57Å; K30-L37 WeakPolarHBondContact O-CA 3.03Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.94Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; K30-F56 HydrophobicContact CB-CZ 4.27Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 3.93Å; K30-E81 PolarHBondContact NZ-O 3.45Å; K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.21Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å; K30-Y86 HydrophobicContact CG-CD1 4.41Å; K30-Y86 HydrophobicContact CG-CE1 3.86Å
31	Q	93.9	Very high	87.4	Confident	58 Å²	58	53.1 Å²	53.1	27%	0.271	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	104.4	168.2	-170.1	178.9	51.1	0	0	109.3	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.34Å; Q31-V85 HydrophobicContact CB-CB 4.41Å; Q31-V85 WeakPolarHBondContact CB-O 3.14Å; Q31-V85 PolarHBondContact N-O 2.91Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.1Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 HydrophobicContact CG-CE2 4.48Å; Q31-Y87 PolarHBondContact OE1-OH 2.7Å
32	S	87.8	Confident	88.1	Confident	23 Å²	23	53.9 Å²	53.9	16%	0.161	28%	0.282	C	S	.	.			trans	-74.2	159.2	177.1	-61.6	0	0	0	0	110.6	A34 K35 S36 E38	S32-A34 PolarHBondContact O-N 3.39Å; S32-K35 WeakPolarHBondContact O-CA 3.06Å; S32-K35 PolarHBondContact O-N 2.8Å; S32-S36 PolarHBondContact N-O 3.05Å; S32-S36 VanDerWaalsContact N-O 3.17Å; S32-E38 PolarHBondContact OG-OE2 3.47Å; S32-E38 VanDerWaalsContact OG-OE2 3.13Å
33	H	77.9	Confident	88.8	Confident	151 Å²	151	51.7 Å²	51.7	70%	0.699	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.7	-178.2	-72.2	85.3	0	0	0	114.3	K35 T83	H33-K35 PolarHBondContact O-N 2.82Å; H33-T83 VanDerWaalsContact CE1-CG2 3.45Å; H33-T83 WeakPolarHBondContact CE1-CG2 3.34Å; H33-T83 PolarHBondContact CE1-O 3.37Å; H33-T83 PolarHBondContact ND1-O 3.45Å
34	A	75.5	Confident	89.4	Confident	88 Å²	88	48.7 Å²	48.7	73%	0.727	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	9.6	172.6	0	0	0	0	0	114.3	S32 S36	S32-A34 PolarHBondContact O-N 3.39Å; A34-S36 PolarHBondContact O-N 2.67Å; A34-S36 VanDerWaalsContact O-N 3.13Å
35	K	70.2	Confident	89.9	Confident	176 Å²	176	45.3 Å²	45.3	77%	0.765	24%	0.242	S	C	*	.			trans	59.6	13.5	-174.5	-57.8	-177.7	179.1	-179.8	0	114.9	S32 H33	S32-K35 WeakPolarHBondContact O-CA 3.06Å; S32-K35 PolarHBondContact O-N 2.8Å; H33-K35 PolarHBondContact O-N 2.82Å
36	S	86.4	Confident	89.9	Confident	51 Å²	51	51.5 Å²	51.5	36%	0.357	26%	0.26	S	S	.	.			trans	-75.9	126.4	171.7	60.4	0	0	0	0	110	S32 A34	S32-S36 PolarHBondContact N-O 3.05Å; S32-S36 VanDerWaalsContact N-O 3.17Å; A34-S36 PolarHBondContact O-N 2.67Å; A34-S36 VanDerWaalsContact O-N 3.13Å
37	L	90.8	Very high	89.9	Confident	93 Å²	93	55.4 Å²	55.4	49%	0.487	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.6	169.8	-66.2	173.7	0	0	0	109.1	V29 K30 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.91Å; V29-L37 HydrophobicContact CG1-CD2 3.88Å; V29-L37 HydrophobicContact CG1-CG 4.42Å; K30-L37 CarbonylContact O-C 3.57Å; K30-L37 WeakPolarHBondContact O-CA 3.03Å; Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.83Å; L37-W95 HydrophobicContact CD1-CH2 4.12Å
38	E	93.4	Very high	89.8	Confident	44 Å²	44	54.5 Å²	54.5	21%	0.206	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116	175.8	-65.9	-174.1	92.3	0	0	109	V29 K30 S32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.21Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.94Å; S32-E38 PolarHBondContact OG-OE2 3.47Å; S32-E38 VanDerWaalsContact OG-OE2 3.13Å; E38-I40 PolarHBondContact O-N 3.09Å; E38-K55 IonicContact OE1-NZ 2.67Å; E38-K55 PolarHBondContact OE1-NZ 2.75Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.4Å
39	W	94.2	Very high	89.8	Confident	95 Å²	95	59.6 Å²	59.6	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.1	175.5	-179.4	73.2	0	0	0	110.4	H27 G41 V42 N53	H27-W39 AromaticContact ND1-NE1 3.32Å; H27-W39 PolarHBondContact ND1-NE1 2.84Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.88Å; W39-V42 HydrophobicContact CH2-CG1 4.42Å; W39-V42 HydrophobicContact CZ2-CB 3.85Å; W39-V42 HydrophobicContact CZ2-CG1 3.77Å; W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.29Å; W39-N53 PolarHBondContact O-ND2 3.06Å
40	I	95.7	Very high	89.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-48	-177.8	-60.5	172	0	0	0	110.1	C28 K30 E38 N53 F56 A60 M73 Y86	C28-I40 HydrophobicContact CB-CB 4.23Å; C28-I40 HydrophobicContact CB-CD1 4.38Å; C28-I40 WeakPolarHBondContact O-CB 3.43Å; C28-I40 PolarHBondContact O-N 2.75Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; E38-I40 PolarHBondContact O-N 3.09Å; I40-N53 PolarHBondContact O-N 3.13Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; I40-A60 HydrophobicContact CG2-CB 3.63Å; I40-M73 HydrophobicContact CB-SD 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.77Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; I40-Y86 HydrophobicContact CD1-CD1 3.65Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41	G	95.3	Very high	89.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	178.5	-171.9	0	0	0	0	0	112.7	H27 C28 W39 S51	H27-G41 WeakPolarHBondContact CA-O 3.48Å; C28-G41 PolarHBondContact N-O 2.81Å; C28-G41 PolarHBondContact O-N 3.42Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 2.88Å; G41-S51 CarbonylContact C-O 3.52Å; G41-S51 WeakPolarHBondContact CA-O 3.45Å
42	V	94.6	Very high	90	Very high	28 Å²	28	64 Å²	64	17%	0.17	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.7	176.4	64.1	0	0	0	0	109	A25 M26 W39 A50 S51	A25-V42 HydrophobicContact CB-CG2 3.53Å; M26-V42 CarbonylContact O-C 3.55Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 3.39Å; W39-V42 HydrophobicContact CH2-CG1 4.42Å; W39-V42 HydrophobicContact CZ2-CB 3.85Å; W39-V42 HydrophobicContact CZ2-CG1 3.77Å; V42-A50 CarbonylContact O-C 3.44Å; V42-A50 VanDerWaalsContact O-CA 3.29Å; V42-A50 WeakPolarHBondContact O-CA 3.44Å; V42-S51 PolarHBondContact N-O 2.8Å; V42-S51 PolarHBondContact O-N 2.88Å
43	I	94.4	Very high	90.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.2	172	-170.2	161.6	0	0	0	110.3	A25 M26 T45 D49 A50 M62 V64	A25-I43 CarbonylContact C-O 3.54Å; A25-I43 WeakPolarHBondContact CA-O 3.41Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.2Å; M26-I43 PolarHBondContact O-N 2.85Å; I43-T45 PolarHBondContact O-N 3.4Å; I43-D49 WeakPolarHBondContact CA-O 3.43Å; I43-A50 HydrophobicContact CB-CB 4.31Å; I43-A50 HydrophobicContact CD1-CB 4.23Å; I43-A50 HydrophobicContact CG1-CB 4.17Å; I43-M62 HydrophobicContact CB-CB 4.05Å; I43-M62 HydrophobicContact CB-CE 3.84Å; I43-M62 HydrophobicContact CD1-CB 3.85Å; I43-M62 WeakPolarHBondContact CD1-O 3.36Å; I43-M62 HydrophobicContact CG2-CB 4.38Å; I43-M62 HydrophobicContact CG2-CE 3.64Å; I43-V64 HydrophobicContact CD1-CB 4.46Å; I43-V64 HydrophobicContact CD1-CG2 3.57Å; I43-V64 HydrophobicContact CG1-CG2 3.74Å; I43-V64 HydrophobicContact CG2-CG2 4.07Å
44	S	92.4	Very high	91.2	Very high	32 Å²	32	66.2 Å²	66.2	22%	0.224	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.5	169	168.8	0	0	0	0	109.2	Y46 N47 G48 D49	S44-Y46 PolarHBondContact O-N 2.87Å; S44-Y46 PolarHBondContact OG-N 2.78Å; S44-N47 WeakPolarHBondContact CB-OD1 3.49Å; S44-N47 PolarHBondContact OG-N 2.91Å; S44-N47 PolarHBondContact OG-OD1 2.94Å; S44-G48 WeakPolarHBondContact O-CA 3.37Å; S44-G48 PolarHBondContact O-N 2.63Å; S44-D49 PolarHBondContact N-O 3.2Å
45	T	89.8	Confident	91.9	Very high	1 Å²	1	69 Å²	69	1%	0.006	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.7	176.5	63.1	0	0	0	0	112.5	F21 T22 Y24 M26 I43 V64 K66	F21-T45 HydrophobicContact CD2-CG2 4.23Å; F21-T45 HydrophobicContact CE1-CG2 4.07Å; F21-T45 HydrophobicContact CE2-CG2 3.72Å; F21-T45 HydrophobicContact CZ-CG2 3.62Å; F21-T45 WeakPolarHBondContact O-CB 3.39Å; F21-T45 PolarHBondContact O-OG1 2.63Å; T22-T45 WeakPolarHBondContact CA-OG1 3.47Å; T22-T45 PolarHBondContact O-OG1 3.37Å; Y24-T45 WeakPolarHBondContact O-CB 3.48Å; Y24-T45 WeakPolarHBondContact O-CG2 3.27Å; Y24-T45 PolarHBondContact O-N 3.22Å; Y24-T45 PolarHBondContact O-OG1 2.94Å; M26-T45 HydrophobicContact CB-CG2 4.43Å; I43-T45 PolarHBondContact O-N 3.4Å; T45-V64 HydrophobicContact CG2-CG2 4.35Å; T45-K66 WeakPolarHBondContact O-CE 3.31Å
46	Y	89.1	Confident	93.1	Very high	161 Å²	161	61.1 Å²	61.1	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-50.9	177	180	-108.5	0	0	0	112.2	T22 S44 K66	T22-Y46 WeakPolarHBondContact O-CA 3.31Å; T22-Y46 VanDerWaalsContact O-CB 3.3Å; T22-Y46 WeakPolarHBondContact O-CB 3.48Å; T22-Y46 PolarHBondContact O-N 2.86Å; S44-Y46 PolarHBondContact O-N 2.87Å; S44-Y46 PolarHBondContact OG-N 2.78Å; Y46-K66 WeakPolarHBondContact O-CE 3.42Å; Y46-K66 PolarHBondContact O-NZ 3.06Å
47	N	90.5	Very high	93.4	Very high	82 Å²	82	66.6 Å²	66.6	44%	0.439	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-8.3	-174.2	65.9	-2.6	0	0	0	114.1	S44 D49	S44-N47 WeakPolarHBondContact CB-OD1 3.49Å; S44-N47 PolarHBondContact OG-N 2.91Å; S44-N47 PolarHBondContact OG-OD1 2.94Å; N47-D49 VanDerWaalsContact C-N 3.32Å; N47-D49 PolarHBondContact ND2-OD2 2.74Å; N47-D49 WeakPolarHBondContact OD1-CB 3.27Å; N47-D49 PolarHBondContact OD1-N 2.92Å; N47-D49 VanDerWaalsContact OD1-N 3.16Å
48	G	91.3	Very high	93.4	Very high	32 Å²	32	65.8 Å²	65.8	33%	0.33	35%	0.346	S	S	.	.			trans	83.8	4.2	179.3	0	0	0	0	0	114.3	S44 A50	S44-G48 WeakPolarHBondContact O-CA 3.37Å; S44-G48 PolarHBondContact O-N 2.63Å; G48-A50 PolarHBondContact O-N 3.26Å
49	D	94	Very high	93.5	Very high	106 Å²	106	65.7 Å²	65.7	57%	0.567	35%	0.345	S	S	*	.			trans	-67.6	125.8	-179.9	-70.5	-17.8	0	0	0	110.4	I43 S44 N47	I43-D49 WeakPolarHBondContact CA-O 3.43Å; S44-D49 PolarHBondContact N-O 3.2Å; N47-D49 VanDerWaalsContact C-N 3.32Å; N47-D49 PolarHBondContact ND2-OD2 2.74Å; N47-D49 WeakPolarHBondContact OD1-CB 3.27Å; N47-D49 PolarHBondContact OD1-N 2.92Å; N47-D49 VanDerWaalsContact OD1-N 3.16Å
50	A	95.1	Very high	93.6	Very high	35 Å²	35	61.3 Å²	61.3	29%	0.289	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.6	-178	0	0	0	0	0	111.7	V42 I43 G48 Y52 M62	V42-A50 CarbonylContact O-C 3.44Å; V42-A50 VanDerWaalsContact O-CA 3.29Å; V42-A50 WeakPolarHBondContact O-CA 3.44Å; I43-A50 HydrophobicContact CB-CB 4.31Å; I43-A50 HydrophobicContact CD1-CB 4.23Å; I43-A50 HydrophobicContact CG1-CB 4.17Å; G48-A50 PolarHBondContact O-N 3.26Å; A50-Y52 HydrophobicContact CB-CE2 3.71Å; A50-Y52 WeakPolarHBondContact CB-OH 3.43Å; A50-M62 HydrophobicContact CB-CB 4.23Å
51	S	95.4	Very high	93.6	Very high	72 Å²	72	64.6 Å²	64.6	50%	0.503	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.2	171.5	-69.8	0	0	0	0	109.7	G41 V42	G41-S51 CarbonylContact C-O 3.52Å; G41-S51 WeakPolarHBondContact CA-O 3.45Å; V42-S51 PolarHBondContact N-O 2.8Å; V42-S51 PolarHBondContact O-N 2.88Å
52	Y	96.3	Very high	93.6	Very high	72 Å²	72	65 Å²	65	28%	0.282	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.2	-172.3	-57.6	-90.1	0	0	0	111.2	A50 A60 M62	A50-Y52 HydrophobicContact CB-CE2 3.71Å; A50-Y52 WeakPolarHBondContact CB-OH 3.43Å; Y52-A60 HydrophobicContact CD1-CB 4.33Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; Y52-M62 HydrophobicContact CD1-SD 4.41Å; Y52-M62 HydrophobicContact CE1-CB 4.25Å; Y52-M62 HydrophobicContact CE1-CG 3.81Å; Y52-M62 HydrophobicContact CE1-SD 3.98Å; Y52-M62 PolarHBondContact OH-N 2.79Å
53	N	95.4	Very high	93.7	Very high	47 Å²	47	66.5 Å²	66.5	25%	0.251	36%	0.361	S	S	.	.			trans	-64.2	140.6	160.8	-176.5	-32.8	0	0	0	109.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.81Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.29Å; W39-N53 PolarHBondContact O-ND2 3.06Å; I40-N53 PolarHBondContact O-N 3.13Å; N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.03Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.04Å; N53-K57 PolarHBondContact O-N 2.99Å; N53-K57 VanDerWaalsContact O-N 3.11Å
54	Q	94.6	Very high	93.6	Very high	175 Å²	175	68.1 Å²	68.1	82%	0.818	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-54	-35	-179.4	-169.4	168.6	5.6	0	0	113.2	F56 K57	Q54-F56 PolarHBondContact O-N 2.82Å; Q54-K57 PolarHBondContact O-N 3.17Å
55	K	91.7	Very high	93.6	Very high	145 Å²	145	69.1 Å²	69.1	63%	0.63	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61.6	-31	176.4	-67.4	-170.2	-175.2	-175.8	0	113.7	E38 N53	E38-K55 IonicContact OE1-NZ 2.67Å; E38-K55 PolarHBondContact OE1-NZ 2.75Å; N53-K55 PolarHBondContact O-N 2.78Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.03Å
56	F	93.8	Very high	93.5	Very high	11 Å²	11	74.5 Å²	74.5	5%	0.048	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-105.3	-1.9	-174.3	-64.8	-84.5	0	0	0	112.7	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.27Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 3.93Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.4Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.06Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.8Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.04Å; Q54-F56 PolarHBondContact O-N 2.82Å; F56-G58 PolarHBondContact O-N 3.18Å; F56-K59 WeakPolarHBondContact O-CB 3.21Å; F56-K59 PolarHBondContact O-N 3.34Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 PolarHBondContact O-N 3.48Å
57	K	92.9	Very high	93.4	Very high	166 Å²	166	72 Å²	72	72%	0.722	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-62.5	121	176.6	-166.1	173.4	-176.2	176.4	0	109.6	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.99Å; N53-K57 VanDerWaalsContact O-N 3.11Å; Q54-K57 PolarHBondContact O-N 3.17Å; K57-K59 PolarHBondContact O-N 3.35Å
58	G	92	Very high	93.3	Very high	77 Å²	77	70.1 Å²	70.1	79%	0.794	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-8.6	-174.8	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.18Å
59	K	94.8	Very high	93.1	Very high	41 Å²	41	71 Å²	71	18%	0.178	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-45.1	171.4	-174.9	73.9	179.6	-166.6	0	111.4	F56 K57 L75 A76 R77 D82	F56-K59 WeakPolarHBondContact O-CB 3.21Å; F56-K59 PolarHBondContact O-N 3.34Å; K57-K59 PolarHBondContact O-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-A76 WeakPolarHBondContact CD-O 3.46Å; K59-A76 WeakPolarHBondContact CE-O 3.15Å; K59-A76 PolarHBondContact NZ-O 2.88Å; K59-A76 PolarHBondContact O-N 2.02Å; K59-R77 PolarHBondContact NZ-O 2.77Å; K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 IonicContact NZ-OD2 3.83Å; K59-D82 PolarHBondContact NZ-OD2 3.47Å
60	A	95.9	Very high	92.9	Very high	4 Å²	4	66.6 Å²	66.6	3%	0.033	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.2	179.7	0	0	0	0	0	110.9	I40 Y52 F56 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.63Å; Y52-A60 HydrophobicContact CD1-CB 4.33Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.48Å; F56-A60 HydrophobicContact CB-CB 4.23Å; F56-A60 PolarHBondContact O-N 3.48Å; A60-E74 CarbonylContact C-O 3.58Å; A60-E74 VanDerWaalsContact CA-O 3.3Å; A60-E74 WeakPolarHBondContact CA-O 3.5Å; A60-L75 HydrophobicContact CB-CD2 4.05Å
61	T	96.6	Very high	92.8	Very high	68 Å²	68	65 Å²	65	42%	0.417	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.2	169.5	-58.1	0	0	0	0	108.6	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T61-M73 CarbonylContact O-C 3.57Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; T61-E74 PolarHBondContact N-O 2.83Å; T61-E74 PolarHBondContact O-N 2.82Å
62	M	95.6	Very high	92.7	Very high	10 Å²	10	64.1 Å²	64.1	5%	0.049	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.5	178.7	-64.3	172.4	75.5	0	0	109.8	C28 I43 A50 Y52 Y72 M73	C28-M62 HydrophobicContact CB-CE 3.96Å; C28-M62 HydrophobicContact CB-SD 4.47Å; C28-M62 WeakPolarHBondContact SG-CE 3.5Å; I43-M62 HydrophobicContact CB-CB 4.05Å; I43-M62 HydrophobicContact CB-CE 3.84Å; I43-M62 HydrophobicContact CD1-CB 3.85Å; I43-M62 WeakPolarHBondContact CD1-O 3.36Å; I43-M62 HydrophobicContact CG2-CB 4.38Å; I43-M62 HydrophobicContact CG2-CE 3.64Å; A50-M62 HydrophobicContact CB-CB 4.23Å; Y52-M62 HydrophobicContact CD1-SD 4.41Å; Y52-M62 HydrophobicContact CE1-CB 4.25Å; Y52-M62 HydrophobicContact CE1-CG 3.81Å; Y52-M62 HydrophobicContact CE1-SD 3.98Å; Y52-M62 PolarHBondContact OH-N 2.79Å; M62-Y72 CarbonylContact C-O 3.5Å; M62-Y72 VanDerWaalsContact CA-O 3.27Å; M62-Y72 WeakPolarHBondContact CA-O 3.32Å; M62-M73 HydrophobicContact CG-CB 4.48Å; M62-M73 HydrophobicContact CG-CG 4.42Å
63	T	95	Very high	92.7	Very high	58 Å²	58	60.7 Å²	60.7	36%	0.356	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159.1	178.3	54.5	0	0	0	0	110.5	T61 S71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.41Å; T63-S71 CarbonylContact O-C 3.39Å; T63-S71 VanDerWaalsContact O-CA 3.32Å; T63-S71 WeakPolarHBondContact O-CA 3.45Å; T63-Y72 PolarHBondContact N-O 3.11Å; T63-Y72 PolarHBondContact O-N 3.41Å
64	V	93.8	Very high	92.7	Very high	36 Å²	36	62.3 Å²	62.3	22%	0.218	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.5	178.5	168.9	0	0	0	0	108.9	F21 I43 T45 K66	F21-V64 HydrophobicContact CE1-CG1 3.63Å; F21-V64 HydrophobicContact CZ-CG1 3.94Å; I43-V64 HydrophobicContact CD1-CB 4.46Å; I43-V64 HydrophobicContact CD1-CG2 3.57Å; I43-V64 HydrophobicContact CG1-CG2 3.74Å; I43-V64 HydrophobicContact CG2-CG2 4.07Å; T45-V64 HydrophobicContact CG2-CG2 4.35Å; V64-K66 HydrophobicContact CG1-CG 3.92Å
65	D	91.3	Very high	92.7	Very high	52 Å²	52	54 Å²	54	28%	0.278	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.8	165.1	178.8	7.6	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.14Å; D65-S67 WeakPolarHBondContact OD1-CB 3.21Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 3.43Å; D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.41Å; D65-S68 PolarHBondContact OD2-OG 3.01Å; D65-S69 PolarHBondContact O-N 3.31Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 3.49Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å
66	K	87.4	Confident	92.9	Very high	114 Å²	114	48.3 Å²	48.3	50%	0.496	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.9	179.5	-63.6	179.9	179.9	176	0	112.5	T45 Y46 V64 S68 S69	T45-K66 WeakPolarHBondContact O-CE 3.31Å; Y46-K66 WeakPolarHBondContact O-CE 3.42Å; Y46-K66 PolarHBondContact O-NZ 3.06Å; V64-K66 HydrophobicContact CG1-CG 3.92Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S69 PolarHBondContact O-N 2.89Å
67	S	87.8	Confident	92.9	Very high	110 Å²	110	57.1 Å²	57.1	77%	0.769	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.2	-177.9	73	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.14Å; D65-S67 WeakPolarHBondContact OD1-CB 3.21Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.86Å; D65-S67 PolarHBondContact OD2-OG 3.43Å
68	S	88.5	Confident	93	Very high	42 Å²	42	49.3 Å²	49.3	29%	0.294	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.5	177.7	65.6	0	0	0	0	113.5	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.44Å; D65-S68 WeakPolarHBondContact OD2-CB 3.41Å; D65-S68 PolarHBondContact OD2-OG 3.01Å; K66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å
69	S	88	Confident	93	Very high	51 Å²	51	48.3 Å²	48.3	36%	0.357	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	45.6	-174.4	-66	0	0	0	0	112.3	F21 D65 K66	F21-S69 VanDerWaalsContact CD1-CA 3.46Å; F21-S69 VanDerWaalsContact CD2-O 3.31Å; F21-S69 WeakPolarHBondContact CD2-O 3.1Å; F21-S69 WeakPolarHBondContact CE2-O 3.45Å; D65-S69 PolarHBondContact O-N 3.31Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 2.89Å
70	T	89.7	Confident	92.9	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.4	-173.8	-57.3	0	0	0	0	109.6	D65 S68 Y72	D65-T70 PolarHBondContact N-O 2.93Å; D65-T70 PolarHBondContact O-N 3.49Å; S68-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.73Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.49Å
71	S	92.2	Very high	92.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	156.4	165.6	55.3	0	0	0	0	109.4	C14 M26 T63	C14-S71 WeakPolarHBondContact CA-O 3.19Å; C14-S71 WeakPolarHBondContact CB-O 2.99Å; C14-S71 WeakPolarHBondContact CB-OG 3.1Å; C14-S71 PolarHBondContact N-O 3.39Å; C14-S71 PolarHBondContact O-N 2.9Å; C14-S71 VanDerWaalsContact O-N 3.1Å; C14-S71 PolarHBondContact O-OG 2.96Å; M26-S71 WeakPolarHBondContact CG-OG 3.2Å; T63-S71 CarbonylContact O-C 3.39Å; T63-S71 VanDerWaalsContact O-CA 3.32Å; T63-S71 WeakPolarHBondContact O-CA 3.45Å
72	Y	93.5	Very high	92.3	Very high	53 Å²	53	55.1 Å²	55.1	21%	0.208	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.7	-179.9	-58.5	-88.6	0	0	0	110.1	K11 I12 M62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.23Å; K11-Y72 HydrophobicContact CD-CG 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.1Å; K11-Y72 HydrophobicContact CG-CG 4.37Å; I12-Y72 CarbonylContact O-C 3.58Å; I12-Y72 VanDerWaalsContact O-CA 3.27Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; M62-Y72 CarbonylContact C-O 3.5Å; M62-Y72 VanDerWaalsContact CA-O 3.27Å; M62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 3.11Å; T63-Y72 PolarHBondContact O-N 3.41Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å; T70-Y72 HydrophobicContact CG2-CD1 4.28Å; T70-Y72 HydrophobicContact CG2-CD2 4.39Å; T70-Y72 HydrophobicContact CG2-CE1 3.73Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.49Å
73	M	95.2	Very high	92.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.9	169.9	177.3	175.6	64.7	0	0	108.4	I12 C28 I40 T61 M62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 4.04Å; I12-M73 PolarHBondContact N-O 2.83Å; I12-M73 PolarHBondContact O-N 3.4Å; C28-M73 HydrophobicContact CB-CE 4.21Å; C28-M73 HydrophobicContact CB-SD 3.51Å; C28-M73 VanDerWaalsContact CB-SD 3.51Å; I40-M73 HydrophobicContact CB-SD 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.77Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.88Å; T61-M73 CarbonylContact O-C 3.57Å; T61-M73 WeakPolarHBondContact O-CA 3.44Å; M62-M73 HydrophobicContact CG-CB 4.48Å; M62-M73 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact CE-CD1 4.47Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact SD-CD2 4.43Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.34Å; M73-Y86 HydrophobicContact CE-CG 4.12Å
74	E	95.7	Very high	92.2	Very high	81 Å²	81	53.2 Å²	53.2	38%	0.379	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.3	171.5	-171.8	178.9	168.3	0	0	109.9	V10 A60 T61	V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.46Å; A60-E74 CarbonylContact C-O 3.58Å; A60-E74 VanDerWaalsContact CA-O 3.3Å; A60-E74 WeakPolarHBondContact CA-O 3.5Å; T61-E74 PolarHBondContact N-O 2.83Å; T61-E74 PolarHBondContact O-N 2.82Å
75	L	95.3	Very high	92.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	174.8	-66	168	0	0	0	108.5	S9 V10 I12 K59 A60 M73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; V10-L75 PolarHBondContact N-O 3Å; V10-L75 PolarHBondContact O-N 2.9Å; I12-L75 HydrophobicContact CD1-CD1 3.85Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 4.05Å; M73-L75 HydrophobicContact CE-CD1 4.47Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact SD-CD2 4.43Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 3.97Å; L75-Y86 HydrophobicContact CD1-CD2 4.4Å; L75-Y86 HydrophobicContact CD1-CE1 3.42Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.42Å; L75-Y86 HydrophobicContact CD1-CE2 3.94Å; L75-Y86 HydrophobicContact CD1-CG 4.4Å; L75-Y86 HydrophobicContact CD2-CE1 4.3Å; L75-Y86 HydrophobicContact CG-CE1 4.48Å; L75-L101 HydrophobicContact CD1-CD2 4.05Å
76	A	95.8	Very high	92.4	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	27%	0.27	C	S	.	.			trans	-89.4	147.6	-175.8	0	0	0	0	0	112.6	S9 K59 L78	S9-A76 WeakPolarHBondContact OG-CA 3.42Å; K59-A76 WeakPolarHBondContact CD-O 3.46Å; K59-A76 WeakPolarHBondContact CE-O 3.15Å; K59-A76 PolarHBondContact NZ-O 2.88Å; K59-A76 PolarHBondContact O-N 2.02Å; A76-L78 PolarHBondContact O-N 2.87Å
77	R	94.4	Very high	92.6	Very high	197 Å²	197	47.4 Å²	47.4	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	50	57.7	169.4	-57.3	178.8	-175.7	177.1	1.1	112.5	V8 K59	V8-R77 PolarHBondContact O-N 2.81Å; K59-R77 PolarHBondContact NZ-O 2.77Å
78	L	94.1	Very high	92.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.222	C	C	.	.			trans	-59.4	141.8	-172.9	-71	172.4	0	0	0	112.9	V4 P6 G7 V8 V10 L75 A76 D82 L101 V103	V4-L78 HydrophobicContact CG2-CD1 3.63Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å; G7-L78 PolarHBondContact N-O 2.9Å; V8-L78 HydrophobicContact CG2-CD1 4.35Å; V8-L78 WeakPolarHBondContact O-CB 3.42Å; V8-L78 WeakPolarHBondContact O-CG 3.15Å; V8-L78 PolarHBondContact O-N 2.73Å; V10-L78 HydrophobicContact CB-CD1 3.87Å; V10-L78 HydrophobicContact CG2-CD1 3.44Å; V10-L78 VanDerWaalsContact CG2-CD1 3.44Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; A76-L78 PolarHBondContact O-N 2.87Å; L78-D82 WeakPolarHBondContact CA-OD2 3.05Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-L101 HydrophobicContact CD1-CD1 4.35Å; L78-L101 HydrophobicContact CD1-CD2 3.88Å; L78-L101 HydrophobicContact CD2-CD2 3.81Å; L78-V103 HydrophobicContact CB-CG1 4.32Å; L78-V103 HydrophobicContact CB-CG2 3.98Å; L78-V103 HydrophobicContact CD1-CG2 4.35Å
79	T	93.5	Very high	92.8	Very high	57 Å²	57	41 Å²	41	35%	0.35	21%	0.211	S	C	.	.			trans	-121.9	169.8	174.3	66.7	0	0	0	0	110	E81 D82 V103	T79-E81 PolarHBondContact O-N 3.13Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.8Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.65Å; T79-D82 PolarHBondContact OG1-OD2 3.16Å; T79-V103 WeakPolarHBondContact O-CB 3.18Å; T79-V103 WeakPolarHBondContact O-CG2 3.39Å
80	S	90.9	Very high	92.7	Very high	88 Å²	88	38.8 Å²	38.8	62%	0.615	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-54.9	-31.7	176	50.3	0	0	0	0	112.7	D82 T83	S80-D82 PolarHBondContact O-N 2.83Å; S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.35Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 2.87Å
81	E	89.4	Confident	91.9	Very high	157 Å²	157	47.2 Å²	47.2	73%	0.734	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-66.7	-19.3	177	-60.3	-179	173.3	0	0	113.7	K30 T79 T83	K30-E81 PolarHBondContact NZ-O 3.45Å; T79-E81 PolarHBondContact O-N 3.13Å; T79-E81 VanDerWaalsContact O-N 3.14Å; E81-T83 PolarHBondContact O-N 3.41Å
82	D	92.1	Very high	90.9	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.059	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-81.2	-2.8	175.2	-62.5	-52.7	0	0	0	112.8	K59 L78 T79 S80 A84 Y86 V103	K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 IonicContact NZ-OD2 3.83Å; K59-D82 PolarHBondContact NZ-OD2 3.47Å; L78-D82 WeakPolarHBondContact CA-OD2 3.05Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; T79-D82 PolarHBondContact N-OD2 2.8Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.65Å; T79-D82 PolarHBondContact OG1-OD2 3.16Å; S80-D82 PolarHBondContact O-N 2.83Å; D82-A84 PolarHBondContact O-N 3.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.85Å; D82-V103 HydrophobicContact CB-CG2 4.33Å
83	T	93.6	Very high	89.9	Confident	25 Å²	25	56.6 Å²	56.6	15%	0.153	27%	0.274	C	S	.	.			trans	-66.6	108.9	174.7	-56.5	0	0	0	0	109.8	H33 S80 E81 L101 T102 V103	H33-T83 VanDerWaalsContact CE1-CG2 3.45Å; H33-T83 WeakPolarHBondContact CE1-CG2 3.34Å; H33-T83 PolarHBondContact CE1-O 3.37Å; H33-T83 PolarHBondContact ND1-O 3.45Å; S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.35Å; S80-T83 PolarHBondContact O-N 2.75Å; S80-T83 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact O-OG1 2.87Å; E81-T83 PolarHBondContact O-N 3.41Å; T83-L101 WeakPolarHBondContact CA-O 3.03Å; T83-T102 HydrophobicContact CG2-CG2 4.16Å; T83-V103 PolarHBondContact OG1-N 3.09Å
84	A	94.6	Very high	89.2	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	174.8	-170.8	0	0	0	0	0	111.1	K30 Q31 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.18Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.34Å; D82-A84 PolarHBondContact O-N 3.47Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-L101 PolarHBondContact N-O 3.45Å; A84-L101 VanDerWaalsContact N-O 3.09Å; A84-L101 PolarHBondContact O-N 3.26Å
85	V	94	Very high	88.7	Confident	30 Å²	30	60.5 Å²	60.5	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	164.8	-169.1	0	0	0	0	109	Q31 Y87 T100	Q31-V85 HydrophobicContact CB-CB 4.41Å; Q31-V85 WeakPolarHBondContact CB-O 3.14Å; Q31-V85 PolarHBondContact N-O 2.91Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.09Å; V85-Y87 HydrophobicContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.41Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å; V85-T100 HydrophobicContact CG2-CG2 4.39Å
86	Y	94.1	Very high	88.2	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.2	-179.2	-69.3	-90.4	0	0	0	110.1	I12 V29 K30 I40 M73 L75 D82 A84 G98 T99 L101	I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.9Å; I12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.5Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.21Å; K30-Y86 HydrophobicContact CB-CE1 3.94Å; K30-Y86 HydrophobicContact CD-CE1 4.22Å; K30-Y86 HydrophobicContact CG-CD1 4.41Å; K30-Y86 HydrophobicContact CG-CE1 3.86Å; I40-Y86 HydrophobicContact CD1-CD1 3.65Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.34Å; M73-Y86 HydrophobicContact CE-CG 4.12Å; L75-Y86 HydrophobicContact CD1-CD1 3.97Å; L75-Y86 HydrophobicContact CD1-CD2 4.4Å; L75-Y86 HydrophobicContact CD1-CE1 3.42Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.42Å; L75-Y86 HydrophobicContact CD1-CE2 3.94Å; L75-Y86 HydrophobicContact CD1-CG 4.4Å; L75-Y86 HydrophobicContact CD2-CE1 4.3Å; L75-Y86 HydrophobicContact CG-CE1 4.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.3Å; D82-Y86 PolarHBondContact O-OH 2.85Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; Y86-G98 CarbonylContact O-C 3.6Å; Y86-G98 WeakPolarHBondContact O-CA 3.3Å; Y86-T99 PolarHBondContact N-O 3.25Å; Y86-T99 PolarHBondContact O-N 3.02Å; Y86-L101 HydrophobicContact CD2-CB 3.89Å; Y86-L101 HydrophobicContact CD2-CD2 4.33Å; Y86-L101 HydrophobicContact CE2-CB 3.77Å; Y86-L101 HydrophobicContact CE2-CD2 3.69Å; Y86-L101 HydrophobicContact CE2-CG 4.36Å
87	Y	92.1	Very high	87.8	Confident	49 Å²	49	69.6 Å²	69.6	19%	0.192	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.1	-178.5	-65.8	-83.7	0	0	0	111.2	C28 V29 Q31 V85 W95 G98	C28-Y87 WeakPolarHBondContact CA-O 3.47Å; V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.53Å; Q31-Y87 HydrophobicContact CB-CD2 4.1Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 HydrophobicContact CG-CE2 4.48Å; Q31-Y87 PolarHBondContact OE1-OH 2.7Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.09Å; V85-Y87 HydrophobicContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.47Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.41Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.48Å; Y87-W95 HydrophobicContact CD1-CE3 4.09Å; Y87-W95 HydrophobicContact CD2-CZ3 4.38Å; Y87-W95 AromaticContact CG-CE3 3.87Å; Y87-W95 HydrophobicContact CG-CE3 3.87Å; Y87-W95 AromaticContact CG-CZ3 3.97Å; Y87-W95 HydrophobicContact CG-CZ3 3.97Å; Y87-G98 VanDerWaalsContact CD1-CA 3.49Å
88	C	91.2	Very high	87.5	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.9	169.3	-35.1	0	0	0	0	108.1	C14 M26 H27 G96	C14-C88 WeakPolarHBondContact CA-SG 3.35Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 VanDerWaalsContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 2.99Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å; M26-C88 HydrophobicContact CG-CB 4.2Å; M26-C88 HydrophobicContact SD-CB 3.78Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.17Å; C88-G96 PolarHBondContact O-N 2.73Å
89	A	89.6	Confident	87.4	Confident	7 Å²	7	63.3 Å²	63.3	6%	0.058	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.1	-179.6	0	0	0	0	0	110.3	H27 S94 W95	H27-A89 PolarHBondContact N-O 3.3Å; H27-A89 PolarHBondContact O-N 2.79Å; A89-S94 WeakPolarHBondContact CA-O 3.43Å; A89-W95 HydrophobicContact CB-CD2 4.16Å; A89-W95 HydrophobicContact CB-CE3 4.49Å; A89-W95 HydrophobicContact CB-CG 4.44Å
90	N	85.2	Confident	87.5	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.032	33%	0.325	C	S	.	.			trans	-93	179.4	168.7	72.1	7.7	0	0	0	110.6	Y19 F92 D93 S94	Y19-N90 WeakPolarHBondContact CD1-ND2 3.37Å; N90-F92 PolarHBondContact O-N 2.78Å; N90-F92 PolarHBondContact OD1-N 3.02Å; N90-D93 PolarHBondContact O-N 2.8Å; N90-S94 PolarHBondContact N-O 3.41Å; N90-S94 WeakPolarHBondContact OD1-CB 3.21Å; N90-S94 PolarHBondContact OD1-N 3.27Å; N90-S94 VanDerWaalsContact OD1-N 3.09Å; N90-S94 PolarHBondContact OD1-OG 3.28Å
91	W	73.3	Confident	87.6	Confident	189 Å²	189	59.3 Å²	59.3	72%	0.716	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	178.7	-174.1	-89.4	0	0	0	114.7	Y24 D93	Y24-W91 HydrophobicContact CD1-CB 4.45Å; W91-D93 PolarHBondContact O-N 3.32Å
92	F	72.3	Confident	87.8	Confident	119 Å²	119	54.3 Å²	54.3	52%	0.522	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	24.2	-179	-65.1	-67.1	0	0	0	113.4	Y24 N90 S94	Y24-F92 HydrophobicContact CD1-CE2 4.06Å; Y24-F92 HydrophobicContact CE1-CD2 4.23Å; Y24-F92 AromaticContact CE1-CE2 3.33Å; Y24-F92 HydrophobicContact CE1-CE2 3.33Å; Y24-F92 AromaticContact CE1-CZ 3.72Å; Y24-F92 HydrophobicContact CE1-CZ 3.72Å; Y24-F92 HydrophobicContact CE2-CE2 4.06Å; Y24-F92 AromaticContact CZ-CE2 3.34Å; Y24-F92 AromaticContact CZ-CZ 3.86Å; Y24-F92 WeakPolarHBondContact OH-CE2 3.35Å; N90-F92 PolarHBondContact O-N 2.78Å; N90-F92 PolarHBondContact OD1-N 3.02Å; F92-S94 PolarHBondContact O-N 3.13Å
93	D	71.1	Confident	87.8	Confident	132 Å²	132	54.3 Å²	54.3	71%	0.706	28%	0.276	S	S	*	.			trans	51.1	27.9	-173.6	-68.6	-37.5	0	0	0	113.3	N90 W91 W95	N90-D93 PolarHBondContact O-N 2.8Å; W91-D93 PolarHBondContact O-N 3.32Å; D93-W95 PolarHBondContact O-N 3.35Å
94	S	81.1	Confident	87.5	Confident	45 Å²	45	55.4 Å²	55.4	32%	0.315	29%	0.285	S	S	.	.			trans	-85.2	107.8	174.1	-55.5	0	0	0	0	108.6	A89 N90 F92	A89-S94 WeakPolarHBondContact CA-O 3.43Å; N90-S94 PolarHBondContact N-O 3.41Å; N90-S94 WeakPolarHBondContact OD1-CB 3.21Å; N90-S94 PolarHBondContact OD1-N 3.27Å; N90-S94 VanDerWaalsContact OD1-N 3.09Å; N90-S94 PolarHBondContact OD1-OG 3.28Å; F92-S94 PolarHBondContact O-N 3.13Å
95	W	85.6	Confident	86.4	Confident	118 Å²	118	63.3 Å²	63.3	45%	0.447	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-87.1	135.2	178.7	-68.4	74.5	0	0	0	110.8	V29 L37 Y87 A89 D93	V29-W95 HydrophobicContact CB-CH2 4.45Å; V29-W95 HydrophobicContact CB-CZ3 4.29Å; V29-W95 HydrophobicContact CG1-CH2 4.42Å; V29-W95 HydrophobicContact CG1-CZ3 4.5Å; V29-W95 HydrophobicContact CG2-CH2 4.2Å; V29-W95 HydrophobicContact CG2-CZ3 4.37Å; L37-W95 HydrophobicContact CD1-CH2 4.12Å; Y87-W95 HydrophobicContact CD1-CE3 4.09Å; Y87-W95 HydrophobicContact CD2-CZ3 4.38Å; Y87-W95 AromaticContact CG-CE3 3.87Å; Y87-W95 HydrophobicContact CG-CE3 3.87Å; Y87-W95 AromaticContact CG-CZ3 3.97Å; Y87-W95 HydrophobicContact CG-CZ3 3.97Å; A89-W95 HydrophobicContact CB-CD2 4.16Å; A89-W95 HydrophobicContact CB-CE3 4.49Å; A89-W95 HydrophobicContact CB-CG 4.44Å; D93-W95 PolarHBondContact O-N 3.35Å
96	G	85.2	Confident	86.1	Confident	17 Å²	17	65 Å²	65	18%	0.175	35%	0.348	C	S	.	.			trans	-67.4	165	164.6	0	0	0	0	0	111.3	C88 G98	C88-G96 PolarHBondContact O-N 2.73Å; G96-G98 PolarHBondContact O-N 3.1Å
97	Q	85.9	Confident	85.6	Confident	201 Å²	201	68.3 Å²	68.3	94%	0.939	37%	0.366	S	S	*	.			trans	-59.7	-20.1	-178.8	-67.7	-173.8	-32.6	0	0	114.1
98	G	89.1	Confident	85.3	Confident	27 Å²	27	69.4 Å²	69.4	28%	0.278	38%	0.376	S	S	.	.			trans	82.7	150.6	-176.4	0	0	0	0	0	112.4	Y86 Y87 G96	Y86-G98 CarbonylContact O-C 3.6Å; Y86-G98 WeakPolarHBondContact O-CA 3.3Å; Y87-G98 VanDerWaalsContact CD1-CA 3.49Å; G96-G98 PolarHBondContact O-N 3.1Å
99	T	92.3	Very high	84.9	Confident	39 Å²	39	72.9 Å²	72.9	24%	0.239	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.3	177	-60.1	0	0	0	0	108.9	I12 Y86 L101	I12-T99 HydrophobicContact CG2-CG2 4.32Å; Y86-T99 PolarHBondContact N-O 3.25Å; Y86-T99 PolarHBondContact O-N 3.02Å; T99-L101 PolarHBondContact O-N 3.4Å
100	T	93.9	Very high	84.6	Confident	60 Å²	60	77.1 Å²	77.1	37%	0.368	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.2	170.7	-48.8	0	0	0	0	109.4	A1 E2 V85	A1-T100 CarbonylContact C-O 3.47Å; A1-T100 WeakPolarHBondContact CA-O 3.28Å; A1-T100 HydrophobicContact CB-CG2 4.33Å; E2-T100 PolarHBondContact N-O 3.38Å; V85-T100 HydrophobicContact CG2-CG2 4.39Å
101	L	93	Very high	84.6	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.5	174	-177.8	66	0	0	0	108.7	E2 V4 V10 L75 L78 T83 A84 Y86 T99 V103	E2-L101 HydrophobicContact CB-CD1 4.07Å; E2-L101 HydrophobicContact CG-CD1 4.48Å; V4-L101 HydrophobicContact CG1-CD1 4.34Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V10-L101 HydrophobicContact CB-CD1 4.49Å; V10-L101 HydrophobicContact CG1-CD1 4.24Å; V10-L101 HydrophobicContact CG2-CD1 4.19Å; L75-L101 HydrophobicContact CD1-CD2 4.05Å; L78-L101 HydrophobicContact CD1-CD1 4.35Å; L78-L101 HydrophobicContact CD1-CD2 3.88Å; L78-L101 HydrophobicContact CD2-CD2 3.81Å; T83-L101 WeakPolarHBondContact CA-O 3.03Å; A84-L101 PolarHBondContact N-O 3.45Å; A84-L101 VanDerWaalsContact N-O 3.09Å; A84-L101 PolarHBondContact O-N 3.26Å; Y86-L101 HydrophobicContact CD2-CB 3.89Å; Y86-L101 HydrophobicContact CD2-CD2 4.33Å; Y86-L101 HydrophobicContact CE2-CB 3.77Å; Y86-L101 HydrophobicContact CE2-CD2 3.69Å; Y86-L101 HydrophobicContact CE2-CG 4.36Å; T99-L101 PolarHBondContact O-N 3.4Å; L101-V103 HydrophobicContact CG-CG2 4.45Å
102	T	93.8	Very high	85.4	Confident	53 Å²	53	74.1 Å²	74.1	33%	0.325	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122	177.6	-57.2	0	0	0	0	109.3	E2 L3 V4 T83	E2-T102 PolarHBondContact O-N 3Å; L3-T102 WeakPolarHBondContact CA-O 3.34Å; L3-T102 HydrophobicContact CD1-CG2 3.61Å; V4-T102 PolarHBondContact N-O 2.8Å; T83-T102 HydrophobicContact CG2-CG2 4.16Å
103	V	92.3	Very high	86.4	Confident	10 Å²	10	70.7 Å²	70.7	6%	0.061	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.1	178.7	-171.1	0	0	0	0	108.4	V4 P6 L78 T79 D82 T83 L101	V4-V103 HydrophobicContact CG2-CB 4.46Å; V4-V103 HydrophobicContact CG2-CG2 3.91Å; V4-V103 WeakPolarHBondContact O-CA 3.42Å; P6-V103 HydrophobicContact CB-CG1 4.33Å; P6-V103 HydrophobicContact CG-CG1 4.07Å; L78-V103 HydrophobicContact CB-CG1 4.32Å; L78-V103 HydrophobicContact CB-CG2 3.98Å; L78-V103 HydrophobicContact CD1-CG2 4.35Å; T79-V103 WeakPolarHBondContact O-CB 3.18Å; T79-V103 WeakPolarHBondContact O-CG2 3.39Å; D82-V103 HydrophobicContact CB-CG2 4.33Å; T83-V103 PolarHBondContact OG1-N 3.09Å; L101-V103 HydrophobicContact CG-CG2 4.45Å
104	S	88.6	Confident	87.7	Confident	49 Å²	49	65.6 Å²	65.6	34%	0.343	39%	0.389	S	S	.	.			trans	-117.2	133	-176.9	65.5	0	0	0	0	111.5	L3 V4 P6	L3-S104 WeakPolarHBondContact CD1-OG 3.32Å; V4-S104 PolarHBondContact O-N 3.01Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å
105	S	71.7	Confident	88.3	Confident	168 Å²	168	67.5 Å²	67.5	100%	1.175	40%	0.395	S	S	*	.			trans	-64.9	0	170.2	57	0	0	0	0	112.5

Retrieved 105 of 105 residues in 23.5 ms (Link to these results)

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