X5J4D1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4D1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4D1_MOUSE|X5J4D1
PGLVAPSQSLSITCTVSGFSLTSYGVHWVRQPPGKGLEWLGVIWAGGSTNYNSALMSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCARDSYYGSSYSLLTGAKGLWSLSL
					

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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	44.5	Very low	61.9	Low	162 Å²	162	73.8 Å²	73.8	100%	1.052	48%	0.476	S	S	*	.				0	104.4	0	9.7	13.2	0	0	0	109.6
2	G	49.7	Very low	63.9	Low	35 Å²	35	68.3 Å²	68.3	36%	0.361	44%	0.44	S	S	.	.			trans	-85.9	142.3	174	0	0	0	0	0	110	W107	G2-W107 VanDerWaalsContact CA-CZ3 3.45Å; G2-W107 WeakPolarHBondContact O-CZ3 3.2Å
3	L	54.2	Low	65.8	Low	137 Å²	137	67.3 Å²	67.3	72%	0.717	43%	0.432	S	S	*	.			trans	-96.4	132.4	176.9	-70	132.8	0	0	0	107.6
4	V	53.8	Low	67.4	Low	23 Å²	23	62.5 Å²	62.5	14%	0.139	40%	0.401	C	S	.	.			trans	-127.7	127.8	-177.8	-154.8	0	0	0	0	107.7	Q8 L10 L77 W107 L109	V4-Q8 HydrophobicContact CG1-CB 3.75Å; V4-L10 HydrophobicContact CG2-CD1 4.16Å; V4-L77 HydrophobicContact CB-CD1 4.22Å; V4-L77 HydrophobicContact CG1-CD1 3.76Å; V4-W107 HydrophobicContact CG2-CE3 3.84Å; V4-W107 HydrophobicContact CG2-CZ3 4.14Å; V4-L109 WeakPolarHBondContact O-CG 3.43Å
5	A	56.7	Low	68.8	Low	46 Å²	46	62.9 Å²	62.9	38%	0.38	40%	0.402	S	S	.	.			trans	-79.9	154.6	-177.2	0	0	0	0	0	111.7	S7 Q8	A5-S7 PolarHBondContact O-N 3.26Å; A5-Q8 HydrophobicContact CB-CG 4.32Å; A5-Q8 WeakPolarHBondContact O-CB 3.48Å; A5-Q8 PolarHBondContact O-N 3.04Å; A5-Q8 VanDerWaalsContact O-N 3.13Å
6	P	52.7	Low	69.7	Low	54 Å²	54	59.4 Å²	59.4	35%	0.351	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	137.6	170.3	-19	30	0	0	0	110.1	L109	P6-L109 HydrophobicContact CG-CD2 4.09Å
7	S	58.7	Low	70.5	Confident	106 Å²	106	61.1 Å²	61.1	74%	0.741	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.9	-173.1	-35.2	0	0	0	0	117	A5 L77	A5-S7 PolarHBondContact O-N 3.26Å; S7-L77 PolarHBondContact N-O 3.33Å
8	Q	70.9	Confident	71.1	Confident	99 Å²	99	62.2 Å²	62.2	46%	0.463	42%	0.418	S	S	.	.	S	Bend	trans	-83.8	161.9	169.1	-72	-177.3	-23.9	0	0	111.6	V4 A5 L77	V4-Q8 HydrophobicContact CG1-CB 3.75Å; A5-Q8 HydrophobicContact CB-CG 4.32Å; A5-Q8 WeakPolarHBondContact O-CB 3.48Å; A5-Q8 PolarHBondContact O-N 3.04Å; A5-Q8 VanDerWaalsContact O-N 3.13Å; Q8-L77 WeakPolarHBondContact O-CD1 3.5Å; Q8-L77 WeakPolarHBondContact O-CG 3.33Å
9	S	75.2	Confident	71.7	Confident	66 Å²	66	60.3 Å²	60.3	46%	0.462	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-90.6	130.4	172.4	-54.3	0	0	0	0	109.5	M74 N75	S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.25Å; S9-M74 WeakPolarHBondContact CA-O 3.4Å; S9-N75 PolarHBondContact OG-OD1 2.86Å
10	L	79.5	Confident	72.5	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.058	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.5	169.9	-179.6	61.1	0	0	0	109	V4 I12 K73 M74 L77 Y85 W107	V4-L10 HydrophobicContact CG2-CD1 4.16Å; L10-I12 HydrophobicContact CD1-CG1 4.15Å; L10-I12 HydrophobicContact CD2-CD1 3.72Å; L10-I12 HydrophobicContact CD2-CG1 3.86Å; L10-I12 HydrophobicContact CG-CD1 4.19Å; L10-I12 HydrophobicContact CG-CG1 3.73Å; L10-K73 CarbonylContact O-C 3.58Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.5Å; L10-M74 HydrophobicContact CB-CB 4.48Å; L10-M74 PolarHBondContact N-O 3.27Å; L10-M74 PolarHBondContact O-N 2.84Å; L10-L77 HydrophobicContact CB-CD1 3.71Å; L10-L77 HydrophobicContact CB-CD2 3.82Å; L10-L77 HydrophobicContact CB-CG 4.17Å; L10-L77 HydrophobicContact CD2-CD2 4.32Å; L10-Y85 HydrophobicContact CD2-CE2 4.36Å; L10-W107 HydrophobicContact CD1-CD2 4.05Å; L10-W107 HydrophobicContact CD1-CE3 4.3Å; L10-W107 HydrophobicContact CD1-CG 4.44Å; L10-W107 HydrophobicContact CD1-CZ2 4.4Å
11	S	85	Confident	73.2	Confident	73 Å²	73	57.1 Å²	57.1	51%	0.51	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.8	168.9	-174.3	0	0	0	0	108.9	L72	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.18Å
12	I	86.4	Confident	75.4	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.1	178.3	-46.1	-176.6	0	0	0	108.6	L10 W28 F71 L72 Y85	L10-I12 HydrophobicContact CD1-CG1 4.15Å; L10-I12 HydrophobicContact CD2-CD1 3.72Å; L10-I12 HydrophobicContact CD2-CG1 3.86Å; L10-I12 HydrophobicContact CG-CD1 4.19Å; L10-I12 HydrophobicContact CG-CG1 3.73Å; I12-W28 HydrophobicContact CB-CH2 4.1Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 3.91Å; I12-W28 HydrophobicContact CG2-CZ3 3.85Å; I12-F71 CarbonylContact O-C 3.56Å; I12-F71 WeakPolarHBondContact O-CA 3.34Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.29Å; I12-L72 PolarHBondContact N-O 2.79Å; I12-L72 PolarHBondContact O-N 3.01Å; I12-Y85 VanDerWaalsContact CD1-CB 3.45Å; I12-Y85 HydrophobicContact CD1-CD1 3.7Å; I12-Y85 HydrophobicContact CD1-CD2 3.71Å; I12-Y85 HydrophobicContact CD1-CE1 4.38Å; I12-Y85 HydrophobicContact CD1-CE2 4.42Å; I12-Y85 HydrophobicContact CD1-CG 3.32Å
13	T	88.7	Confident	77.2	Confident	55 Å²	55	54.9 Å²	54.9	34%	0.337	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.4	175.2	-54.1	0	0	0	0	109.9	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.15Å; T13-Q69 HydrophobicContact CG2-CG 3.91Å; T13-F71 HydrophobicContact CG2-CD1 3.92Å; T13-F71 HydrophobicContact CG2-CE1 3.57Å; T13-F71 HydrophobicContact CG2-CZ 4.33Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.08Å
14	C	87.6	Confident	78.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.4	167.9	176.2	0	0	0	0	108.6	W28 Q69 V70 C87 A103	C14-W28 HydrophobicContact CB-CH2 3.66Å; C14-W28 HydrophobicContact CB-CZ2 3.75Å; C14-Q69 CarbonylContact O-C 3.41Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.15Å; C14-V70 HydrophobicContact CB-CB 4.25Å; C14-V70 PolarHBondContact N-O 2.94Å; C14-V70 PolarHBondContact O-N 3.19Å; C14-C87 HydrophobicContact CB-CB 3.59Å; C14-C87 WeakPolarHBondContact CB-SG 3.31Å; C14-C87 WeakPolarHBondContact SG-CB 3.29Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.73Å; C14-A103 HydrophobicContact CB-CB 3.62Å
15	T	88.6	Confident	80.3	Confident	69 Å²	69	51.4 Å²	51.4	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125	168.8	-54.8	0	0	0	0	108.9	Q69 G102	T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 3.11Å; T15-G102 WeakPolarHBondContact O-CA 3.32Å
16	V	83.3	Confident	81.9	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	32%	0.32	C	S	.	.			trans	-99	144.6	179.5	-49.7	0	0	0	0	110.7	F19 L21 V26 S68 L100	V16-F19 HydrophobicContact CB-CD1 4.5Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.32Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.16Å; V16-F19 HydrophobicContact CG1-CE2 4.47Å; V16-F19 HydrophobicContact CG1-CZ 3.66Å; V16-F19 HydrophobicContact CG2-CE1 4.26Å; V16-F19 HydrophobicContact CG2-CE2 4.25Å; V16-F19 HydrophobicContact CG2-CZ 3.97Å; V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.91Å; V16-L21 HydrophobicContact CG2-CD1 4.14Å; V16-L21 HydrophobicContact CG2-CD2 3.59Å; V16-L21 HydrophobicContact CG2-CG 3.64Å; V16-V26 HydrophobicContact CG1-CG2 4.44Å; V16-S68 WeakPolarHBondContact CG2-O 3.44Å; V16-S68 PolarHBondContact N-O 3.44Å; V16-L100 HydrophobicContact CB-CD1 4.47Å; V16-L100 HydrophobicContact CG1-CD1 3.75Å
17	S	83.4	Confident	83.7	Confident	88 Å²	88	47.1 Å²	47.1	62%	0.615	31%	0.305	S	S	*	.			trans	-139.8	150.8	174.8	60.7	0	0	0	0	109.6	F19	S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.32Å
18	G	81.6	Confident	85.2	Confident	81 Å²	81	42 Å²	42	84%	0.835	27%	0.269	S	S	*	.	S	Bend	trans	81.1	4.6	179.9	0	0	0	0	0	115.8
19	F	81.6	Confident	86	Confident	27 Å²	27	38.3 Å²	38.3	12%	0.118	25%	0.253	C	S	.	.	S	Bend	trans	-158.4	163.1	170.1	69.2	-81.3	0	0	0	111.6	V16 S17 L21 Y24 V26 R89 L100	V16-F19 HydrophobicContact CB-CD1 4.5Å; V16-F19 HydrophobicContact CB-CE1 3.66Å; V16-F19 HydrophobicContact CB-CE2 4.32Å; V16-F19 HydrophobicContact CB-CZ 3.56Å; V16-F19 HydrophobicContact CG1-CE1 4.16Å; V16-F19 HydrophobicContact CG1-CE2 4.47Å; V16-F19 HydrophobicContact CG1-CZ 3.66Å; V16-F19 HydrophobicContact CG2-CE1 4.26Å; V16-F19 HydrophobicContact CG2-CE2 4.25Å; V16-F19 HydrophobicContact CG2-CZ 3.97Å; S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.32Å; F19-L21 HydrophobicContact CE2-CD2 4.02Å; F19-L21 HydrophobicContact CZ-CD2 4.49Å; F19-Y24 HydrophobicContact CB-CD2 3.89Å; F19-Y24 HydrophobicContact CB-CE2 4.11Å; F19-Y24 AromaticContact CD2-CD2 3.78Å; F19-Y24 HydrophobicContact CD2-CD2 3.78Å; F19-Y24 AromaticContact CD2-CG 3.97Å; F19-Y24 HydrophobicContact CD2-CG 3.97Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; F19-V26 HydrophobicContact CE2-CG2 4.08Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; F19-R89 HydrophobicContact CD1-CG 4.46Å; F19-R89 HydrophobicContact CD2-CG 4.27Å; F19-R89 HydrophobicContact CE1-CB 4.19Å; F19-R89 HydrophobicContact CE1-CG 4.22Å; F19-R89 HydrophobicContact CE2-CG 4.01Å; F19-R89 HydrophobicContact CG-CG 4.47Å; F19-R89 HydrophobicContact CZ-CB 4.03Å; F19-R89 HydrophobicContact CZ-CG 3.98Å; F19-L100 HydrophobicContact CE1-CD1 3.81Å; F19-L100 HydrophobicContact CE1-CD2 3.59Å; F19-L100 HydrophobicContact CE1-CG 4.35Å; F19-L100 HydrophobicContact CZ-CD1 3.61Å; F19-L100 HydrophobicContact CZ-CD2 4.21Å
20	S	87.1	Confident	86.6	Confident	51 Å²	51	36.1 Å²	36.1	36%	0.357	24%	0.235	S	C	.	.			trans	-94	134.1	176.2	-176.5	0	0	0	0	112.5	T22 S23 Y24	S20-T22 PolarHBondContact O-N 2.97Å; S20-T22 PolarHBondContact OG-N 3.38Å; S20-T22 PolarHBondContact OG-OG1 2.76Å; S20-S23 PolarHBondContact O-N 3.15Å; S20-Y24 PolarHBondContact O-N 2.75Å
21	L	88.8	Confident	87	Confident	2 Å²	2	39 Å²	39	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.3	172.6	-67.3	-178.9	0	0	0	114	V16 F19 S23 V26 K63 N65 Q69 V70	V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.91Å; V16-L21 HydrophobicContact CG2-CD1 4.14Å; V16-L21 HydrophobicContact CG2-CD2 3.59Å; V16-L21 HydrophobicContact CG2-CG 3.64Å; F19-L21 HydrophobicContact CE2-CD2 4.02Å; F19-L21 HydrophobicContact CZ-CD2 4.49Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-V26 HydrophobicContact CD2-CG2 3.57Å; L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.39Å; L21-K63 PolarHBondContact O-NZ 3.24Å; L21-N65 VanDerWaalsContact CB-OD1 3.29Å; L21-N65 WeakPolarHBondContact CB-OD1 3.36Å; L21-Q69 WeakPolarHBondContact CD1-O 3.43Å; L21-V70 HydrophobicContact CD1-CG2 3.87Å; L21-V70 HydrophobicContact CD2-CG2 3.63Å; L21-V70 HydrophobicContact CG-CG2 4.43Å
22	T	89.8	Confident	87.1	Confident	78 Å²	78	36 Å²	36	48%	0.479	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.7	172.3	59.3	0	0	0	0	113	S20 A45 N65	S20-T22 PolarHBondContact O-N 2.97Å; S20-T22 PolarHBondContact OG-N 3.38Å; S20-T22 PolarHBondContact OG-OG1 2.76Å; T22-A45 WeakPolarHBondContact O-CB 3.38Å; T22-N65 HydrophobicContact CG2-CB 4.28Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.27Å
23	S	87.8	Confident	87.1	Confident	72 Å²	72	40.8 Å²	40.8	50%	0.503	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-19.7	-176.5	-53.6	0	0	0	0	113.3	S20 L21	S20-S23 PolarHBondContact O-N 3.15Å; L21-S23 VanDerWaalsContact C-N 3.34Å
24	Y	85	Confident	87	Confident	85 Å²	85	42.6 Å²	42.6	33%	0.333	29%	0.288	S	S	.	.	S	Bend	trans	-131.4	147.9	-175.8	-65	-88.8	0	0	0	112.3	F19 S20 R89 D90	F19-Y24 HydrophobicContact CB-CD2 3.89Å; F19-Y24 HydrophobicContact CB-CE2 4.11Å; F19-Y24 AromaticContact CD2-CD2 3.78Å; F19-Y24 HydrophobicContact CD2-CD2 3.78Å; F19-Y24 AromaticContact CD2-CG 3.97Å; F19-Y24 HydrophobicContact CD2-CG 3.97Å; F19-Y24 HydrophobicContact CG-CD2 4.24Å; S20-Y24 PolarHBondContact O-N 2.75Å; Y24-R89 HydrophobicContact CD1-CG 4.21Å; Y24-R89 HydrophobicContact CG-CG 4.29Å; Y24-D90 WeakPolarHBondContact CD1-O 3.29Å
25	G	87.8	Confident	87	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	32%	0.315	C	S	.	.			trans	-78.7	152.9	166.9	0	0	0	0	0	112.1	I43 D90	G25-I43 CarbonylContact C-O 3.5Å; G25-I43 VanDerWaalsContact CA-O 3.22Å; G25-I43 WeakPolarHBondContact CA-O 3.36Å; G25-D90 PolarHBondContact O-N 3.06Å
26	V	89.8	Confident	86.9	Confident	1 Å²	1	48 Å²	48	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.7	174.8	179.8	0	0	0	0	109.5	V16 F19 L21 V42 I43 V70 C87 A88 L100	V16-V26 HydrophobicContact CG1-CG2 4.44Å; F19-V26 HydrophobicContact CE2-CG2 4.08Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; L21-V26 HydrophobicContact CD2-CG2 3.57Å; V26-V42 WeakPolarHBondContact O-CA 3.4Å; V26-V42 WeakPolarHBondContact O-CG2 3.47Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 3.07Å; V26-I43 PolarHBondContact O-N 2.95Å; V26-V70 HydrophobicContact CB-CG1 4.48Å; V26-V70 HydrophobicContact CB-CG2 4.01Å; V26-V70 HydrophobicContact CG1-CB 4.36Å; V26-V70 HydrophobicContact CG1-CG1 4.32Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; V26-V70 HydrophobicContact CG2-CG2 3.95Å; V26-C87 HydrophobicContact CG1-CB 3.95Å; V26-A88 CarbonylContact C-O 3.54Å; V26-A88 WeakPolarHBondContact CA-O 3.46Å; V26-L100 HydrophobicContact CG1-CD1 4.31Å
27	H	90.4	Very high	87.1	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.6	176.7	-64	-105	0	0	0	110.3	W39 G41 C87 A88 D90 Y97	H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.16Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; H27-G41 CarbonylContact C-O 3.56Å; H27-G41 WeakPolarHBondContact CA-O 3.33Å; H27-C87 CarbonylContact O-C 3.54Å; H27-C87 WeakPolarHBondContact O-CA 3.44Å; H27-A88 HydrophobicContact CB-CB 4.39Å; H27-A88 PolarHBondContact N-O 2.93Å; H27-A88 PolarHBondContact O-N 3.3Å; H27-D90 WeakPolarHBondContact NE2-CB 3.32Å; H27-D90 IonicContact NE2-OD1 3.49Å; H27-Y97 AromaticContact CD2-CE1 3.97Å; H27-Y97 AromaticContact CE1-CE1 3.81Å; H27-Y97 AromaticContact NE2-CE1 3.75Å
28	W	90.4	Very high	87.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.1	166.6	-74.1	97.6	0	0	0	109.7	I12 C14 L40 G41 V70 L72 Y86 C87 A103	I12-W28 HydrophobicContact CB-CH2 4.1Å; I12-W28 HydrophobicContact CB-CZ3 4.17Å; I12-W28 HydrophobicContact CG2-CH2 3.91Å; I12-W28 HydrophobicContact CG2-CZ3 3.85Å; C14-W28 HydrophobicContact CB-CH2 3.66Å; C14-W28 HydrophobicContact CB-CZ2 3.75Å; W28-L40 HydrophobicContact CB-CB 4.06Å; W28-L40 HydrophobicContact CB-CD1 4.37Å; W28-L40 WeakPolarHBondContact O-CB 3.39Å; W28-L40 PolarHBondContact O-N 2.68Å; W28-G41 PolarHBondContact N-O 3.19Å; W28-V70 HydrophobicContact CZ2-CB 4.39Å; W28-V70 HydrophobicContact CZ2-CG1 4.13Å; W28-L72 HydrophobicContact CB-CD1 4.4Å; W28-L72 HydrophobicContact CB-CD2 4.44Å; W28-L72 HydrophobicContact CD2-CB 3.69Å; W28-L72 HydrophobicContact CD2-CD1 4.42Å; W28-L72 HydrophobicContact CD2-CD2 4.02Å; W28-L72 HydrophobicContact CD2-CG 4.27Å; W28-L72 HydrophobicContact CE3-CB 3.94Å; W28-L72 HydrophobicContact CE3-CD2 3.83Å; W28-L72 HydrophobicContact CE3-CG 4.46Å; W28-L72 HydrophobicContact CG-CB 4.23Å; W28-L72 HydrophobicContact CG-CD1 4.12Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.47Å; W28-L72 HydrophobicContact CH2-CB 3.94Å; W28-L72 HydrophobicContact CZ2-CB 3.71Å; W28-L72 HydrophobicContact CZ3-CB 4.06Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; W28-Y86 WeakPolarHBondContact CA-O 3.49Å; W28-C87 HydrophobicContact CD2-CB 4.47Å; W28-C87 HydrophobicContact CE3-CB 4.3Å; W28-C87 HydrophobicContact CH2-CB 4.45Å; W28-C87 HydrophobicContact CZ3-CB 4.3Å; W28-A103 HydrophobicContact CH2-CB 3.93Å; W28-A103 HydrophobicContact CZ3-CB 3.78Å
29	V	88.4	Confident	87.8	Confident	20 Å²	20	51.8 Å²	51.8	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.9	-178.3	-173.3	0	0	0	0	107.7	L37 E38 Y85 Y86	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.66Å; V29-L37 HydrophobicContact CG1-CG 4.21Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; V29-Y85 CarbonylContact O-C 3.56Å; V29-Y86 PolarHBondContact N-O 3.35Å; V29-Y86 PolarHBondContact O-N 2.8Å
30	R	88.6	Confident	88.2	Confident	20 Å²	20	50.5 Å²	50.5	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.4	170.2	70.8	174.3	-178.9	-172.4	8.8	111.5	L37 E38 L40 D81 A83 M84 Y85	R30-L37 CarbonylContact O-C 3.49Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 3.22Å; R30-E38 IonicContact NE-OE2 2.81Å; R30-E38 PolarHBondContact NE-OE2 2.99Å; R30-E38 IonicContact NH2-OE2 3.9Å; R30-E38 PolarHBondContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact O-N 3.1Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.31Å; R30-L40 HydrophobicContact CG-CD2 3.84Å; R30-L40 HydrophobicContact CG-CG 4.18Å; R30-D81 IonicContact CZ-OD1 2.84Å; R30-D81 IonicContact NH1-OD1 3.35Å; R30-D81 PolarHBondContact NH1-OD1 3.03Å; R30-A83 HydrophobicContact CB-CB 3.82Å; R30-A83 HydrophobicContact CG-CB 4.18Å; R30-M84 CarbonylContact C-O 3.55Å; R30-M84 WeakPolarHBondContact CA-O 3.14Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.89Å; R30-Y85 HydrophobicContact CB-CG 4.35Å
31	Q	86.9	Confident	88.4	Confident	73 Å²	73	48 Å²	48	34%	0.341	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	101	173.3	-170.1	177.2	19.7	0	0	109.1	K35 L37 A83 M84 Y86	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; Q31-A83 WeakPolarHBondContact O-CA 3.35Å; Q31-A83 WeakPolarHBondContact O-CB 3.37Å; Q31-M84 HydrophobicContact CB-CB 4.49Å; Q31-M84 PolarHBondContact N-O 2.88Å; Q31-M84 PolarHBondContact O-N 2.89Å; Q31-Y86 HydrophobicContact CB-CE2 3.82Å; Q31-Y86 PolarHBondContact OE1-OH 2.83Å
32	P	87	Confident	88.6	Confident	9 Å²	9	48 Å²	48	6%	0.058	28%	0.282	C	S	.	.			trans	-64.3	151	171.6	-18.1	30.9	0	0	0	110.9	G34 K35 A83	P32-G34 PolarHBondContact O-N 2.64Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.22Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 2.81Å; P32-A83 HydrophobicContact CB-CB 4.43Å; P32-A83 HydrophobicContact CG-CB 4.27Å
33	P	86	Confident	88.8	Confident	108 Å²	108	44.7 Å²	44.7	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128	176.1	-24.4	33.5	0	0	0	111.6	K35 T82	P33-K35 PolarHBondContact O-N 2.81Å; P33-T82 VanDerWaalsContact CD-O 3.27Å; P33-T82 WeakPolarHBondContact CD-O 3.35Å
34	G	87.6	Confident	89.1	Confident	93 Å²	93	45.3 Å²	45.3	96%	0.959	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	6.1	-179.8	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 2.64Å
35	K	86.8	Confident	89.3	Confident	130 Å²	130	42.9 Å²	42.9	57%	0.565	25%	0.251	S	S	*	.	S	Bend	trans	-115.9	166.5	176.6	-61.6	-170	-177.2	176.2	0	112.1	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.48Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.22Å; P32-K35 HydrophobicContact CG-CD 4.15Å; P32-K35 PolarHBondContact O-N 2.81Å; P33-K35 PolarHBondContact O-N 2.81Å
36	G	87.8	Confident	89.4	Confident	52 Å²	52	46.5 Å²	46.5	54%	0.536	29%	0.287	S	S	.	.			trans	-71.4	-180	172.8	0	0	0	0	0	113.2
37	L	87.4	Confident	89.5	Confident	108 Å²	108	48.1 Å²	48.1	57%	0.565	30%	0.304	S	S	*	.			trans	-72.3	128.7	173	-72.2	167.6	0	0	0	110.5	V29 R30 Q31 Y86	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.66Å; V29-L37 HydrophobicContact CG1-CG 4.21Å; R30-L37 CarbonylContact O-C 3.49Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; Q31-L37 HydrophobicContact CB-CD2 3.9Å; Q31-L37 HydrophobicContact CG-CD2 4.38Å; L37-Y86 HydrophobicContact CD2-CD2 4.08Å; L37-Y86 HydrophobicContact CD2-CE2 4.09Å
38	E	88.4	Confident	89.6	Confident	57 Å²	57	51 Å²	51	27%	0.266	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.6	176.1	-66.3	-179.6	-179.8	0	0	109.7	V29 R30	V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.21Å; V29-E38 WeakPolarHBondContact CG1-O 3.48Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 3.22Å; R30-E38 IonicContact NE-OE2 2.81Å; R30-E38 PolarHBondContact NE-OE2 2.99Å; R30-E38 IonicContact NH2-OE2 3.9Å; R30-E38 PolarHBondContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact O-N 3.1Å
39	W	89.8	Confident	89.8	Confident	90 Å²	90	53.5 Å²	53.5	34%	0.341	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.9	174.9	-180	76.3	0	0	0	110.9	H27 G41 V42 N50 Y51 N52	H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-CD1 3.87Å; H27-W39 AromaticContact ND1-NE1 3.19Å; H27-W39 PolarHBondContact ND1-NE1 3.16Å; H27-W39 VanDerWaalsContact ND1-NE1 3.19Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.85Å; W39-V42 HydrophobicContact CZ2-CB 4.08Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; W39-N50 HydrophobicContact CH2-CB 4.14Å; W39-Y51 VanDerWaalsContact CZ3-C 3.49Å; W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.18Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.97Å
40	L	90.5	Very high	90	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-40.1	-178.3	-63	-178	0	0	0	112.8	W28 R30 N52 L55 L59 L72 Y85	W28-L40 HydrophobicContact CB-CB 4.06Å; W28-L40 HydrophobicContact CB-CD1 4.37Å; W28-L40 WeakPolarHBondContact O-CB 3.39Å; W28-L40 PolarHBondContact O-N 2.68Å; R30-L40 HydrophobicContact CB-CD1 4.1Å; R30-L40 HydrophobicContact CB-CG 4.39Å; R30-L40 HydrophobicContact CG-CD1 4.31Å; R30-L40 HydrophobicContact CG-CD2 3.84Å; R30-L40 HydrophobicContact CG-CG 4.18Å; L40-N52 PolarHBondContact O-N 2.77Å; L40-L55 HydrophobicContact CD2-CD1 3.32Å; L40-L59 HydrophobicContact CB-CD1 4.09Å; L40-L59 HydrophobicContact CD2-CD1 4.43Å; L40-L72 HydrophobicContact CD1-CD2 3.78Å; L40-Y85 HydrophobicContact CD1-CD1 3.71Å; L40-Y85 HydrophobicContact CD1-CE1 3.62Å
41	G	92.5	Very high	90.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	176.8	-174.2	0	0	0	0	0	112.6	H27 W28 W39 N50	H27-G41 CarbonylContact C-O 3.56Å; H27-G41 WeakPolarHBondContact CA-O 3.33Å; W28-G41 PolarHBondContact N-O 3.19Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 VanDerWaalsContact CE2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.85Å; G41-N50 CarbonylContact C-O 3.57Å; G41-N50 WeakPolarHBondContact CA-O 3.5Å
42	V	92.4	Very high	90.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.5	177	64	0	0	0	0	109.2	V26 W39 W44 T49 N50	V26-V42 WeakPolarHBondContact O-CA 3.4Å; V26-V42 WeakPolarHBondContact O-CG2 3.47Å; W39-V42 HydrophobicContact CZ2-CB 4.08Å; W39-V42 HydrophobicContact CZ2-CG1 3.89Å; V42-W44 HydrophobicContact CG1-CD2 4.32Å; V42-W44 HydrophobicContact CG1-CH2 4.42Å; V42-W44 HydrophobicContact CG1-CZ2 3.65Å; V42-W44 HydrophobicContact CG2-CD2 4.18Å; V42-W44 HydrophobicContact CG2-CE3 4.25Å; V42-W44 HydrophobicContact CG2-CH2 4.38Å; V42-W44 HydrophobicContact CG2-CZ2 4.31Å; V42-W44 HydrophobicContact CG2-CZ3 4.35Å; V42-T49 VanDerWaalsContact O-CA 3.25Å; V42-T49 WeakPolarHBondContact O-CA 3.47Å; V42-N50 HydrophobicContact CG1-CB 3.91Å; V42-N50 PolarHBondContact N-O 3.47Å; V42-N50 PolarHBondContact O-N 3.48Å
43	I	93.8	Very high	90.1	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.041	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.6	161.6	-171.8	162.5	0	0	0	109.1	G25 V26 S48 T49 I61 K63 V70	G25-I43 CarbonylContact C-O 3.5Å; G25-I43 VanDerWaalsContact CA-O 3.22Å; G25-I43 WeakPolarHBondContact CA-O 3.36Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 3.07Å; V26-I43 PolarHBondContact O-N 2.95Å; I43-S48 WeakPolarHBondContact CA-O 3.27Å; I43-T49 HydrophobicContact CB-CG2 3.96Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.82Å; I43-I61 HydrophobicContact CB-CG2 3.7Å; I43-I61 HydrophobicContact CD1-CG2 4.44Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; I43-K63 HydrophobicContact CD1-CB 4Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.71Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.46Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; I43-V70 HydrophobicContact CG2-CG1 3.71Å
44	W	93	Very high	89.8	Confident	85 Å²	85	60.4 Å²	60.4	32%	0.322	39%	0.388	S	S	.	.			trans	-80	167.7	-176.9	-61.1	106.5	0	0	0	111.9	V42 G46 G47 S48 N50 K63 D90	V42-W44 HydrophobicContact CG1-CD2 4.32Å; V42-W44 HydrophobicContact CG1-CH2 4.42Å; V42-W44 HydrophobicContact CG1-CZ2 3.65Å; V42-W44 HydrophobicContact CG2-CD2 4.18Å; V42-W44 HydrophobicContact CG2-CE3 4.25Å; V42-W44 HydrophobicContact CG2-CH2 4.38Å; V42-W44 HydrophobicContact CG2-CZ2 4.31Å; V42-W44 HydrophobicContact CG2-CZ3 4.35Å; W44-G46 PolarHBondContact O-N 3.29Å; W44-G47 PolarHBondContact O-N 3.07Å; W44-S48 VanDerWaalsContact CD1-OG 3.26Å; W44-S48 PolarHBondContact N-O 3.03Å; W44-N50 PolarHBondContact NE1-OD1 2.89Å; W44-K63 PolarHBondContact O-NZ 3.22Å; W44-D90 WeakPolarHBondContact CZ3-OD2 3.46Å
45	A	90.4	Very high	89.4	Confident	35 Å²	35	56.6 Å²	56.6	29%	0.289	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40.9	174.4	0	0	0	0	0	112.4	T22 G47 K63	T22-A45 WeakPolarHBondContact O-CB 3.38Å; A45-G47 VanDerWaalsContact C-N 3.26Å; A45-G47 PolarHBondContact O-N 2.8Å; A45-K63 VanDerWaalsContact C-NZ 3.33Å; A45-K63 PolarHBondContact O-NZ 2.82Å
46	G	90.4	Very high	89.1	Confident	78 Å²	78	56.1 Å²	56.1	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.6	175.8	0	0	0	0	0	115.5	W44	W44-G46 PolarHBondContact O-N 3.29Å
47	G	90.7	Very high	89	Confident	35 Å²	35	58.8 Å²	58.8	36%	0.361	36%	0.358	S	S	.	.	S	Bend	trans	89.6	-5.3	179.2	0	0	0	0	0	115.2	W44 A45	W44-G47 PolarHBondContact O-N 3.07Å; A45-G47 VanDerWaalsContact C-N 3.26Å; A45-G47 PolarHBondContact O-N 2.8Å
48	S	93.2	Very high	89.1	Confident	70 Å²	70	55.2 Å²	55.2	49%	0.49	34%	0.337	S	S	.	.			trans	-62.5	148.8	169	51.2	0	0	0	0	110.9	I43 W44	I43-S48 WeakPolarHBondContact CA-O 3.27Å; W44-S48 VanDerWaalsContact CD1-OG 3.26Å; W44-S48 PolarHBondContact N-O 3.03Å
49	T	94	Very high	89.1	Confident	51 Å²	51	53.1 Å²	53.1	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.4	-178.9	52.4	0	0	0	0	111.2	V42 I43 Y51 I61	V42-T49 VanDerWaalsContact O-CA 3.25Å; V42-T49 WeakPolarHBondContact O-CA 3.47Å; I43-T49 HydrophobicContact CB-CG2 3.96Å; I43-T49 HydrophobicContact CD1-CG2 3.97Å; I43-T49 HydrophobicContact CG1-CG2 3.82Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.32Å; T49-I61 HydrophobicContact CG2-CB 4.34Å
50	N	92.7	Very high	89.2	Confident	84 Å²	84	51.3 Å²	51.3	45%	0.449	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.6	167.1	-62.2	64.7	0	0	0	108.4	W39 G41 V42 W44	W39-N50 HydrophobicContact CH2-CB 4.14Å; G41-N50 CarbonylContact C-O 3.57Å; G41-N50 WeakPolarHBondContact CA-O 3.5Å; V42-N50 HydrophobicContact CG1-CB 3.91Å; V42-N50 PolarHBondContact N-O 3.47Å; V42-N50 PolarHBondContact O-N 3.48Å; W44-N50 PolarHBondContact NE1-OD1 2.89Å
51	Y	91.6	Very high	89.4	Confident	68 Å²	68	51.7 Å²	51.7	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.3	-176.5	-59.3	-84.5	0	0	0	110.4	W39 T49 S53 M56 L59 I61	W39-Y51 VanDerWaalsContact CZ3-C 3.49Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.32Å; Y51-S53 PolarHBondContact O-N 2.77Å; Y51-M56 HydrophobicContact CG-CB 4.32Å; Y51-L59 HydrophobicContact CD1-CB 3.89Å; Y51-L59 HydrophobicContact CD1-CD1 4.5Å; Y51-L59 HydrophobicContact CE1-CB 4.12Å; Y51-I61 HydrophobicContact CD1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CB 4.24Å; Y51-I61 HydrophobicContact CE1-CD1 3.79Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.59Å
52	N	88.4	Confident	89.4	Confident	46 Å²	46	54.5 Å²	54.5	25%	0.246	35%	0.35	C	S	.	.			trans	-66.8	125.3	162.8	-174.2	-30.2	0	0	0	109	W39 L40 A54 L55 M56	W39-N52 HydrophobicContact CE3-CB 4.04Å; W39-N52 HydrophobicContact CZ3-CB 4.18Å; W39-N52 WeakPolarHBondContact O-CB 3.47Å; W39-N52 PolarHBondContact O-ND2 2.97Å; L40-N52 PolarHBondContact O-N 2.77Å; N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 VanDerWaalsContact O-N 3.15Å; N52-A54 PolarHBondContact OD1-N 3.43Å; N52-A54 VanDerWaalsContact OD1-N 3.11Å; N52-L55 PolarHBondContact O-N 2.82Å; N52-M56 PolarHBondContact O-N 3.35Å
53	S	84.3	Confident	89.4	Confident	99 Å²	99	56.6 Å²	56.6	69%	0.692	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.5	-176.1	52.4	0	0	0	0	113	Y51 L55	Y51-S53 PolarHBondContact O-N 2.77Å; S53-L55 PolarHBondContact O-N 2.99Å
54	A	81.2	Confident	89.4	Confident	78 Å²	78	58.1 Å²	58.1	65%	0.645	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.7	178.6	0	0	0	0	0	113.7	N52	N52-A54 PolarHBondContact O-N 2.9Å; N52-A54 VanDerWaalsContact O-N 3.15Å; N52-A54 PolarHBondContact OD1-N 3.43Å; N52-A54 VanDerWaalsContact OD1-N 3.11Å
55	L	78.4	Confident	89.3	Confident	13 Å²	13	57.3 Å²	57.3	7%	0.068	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-5.1	-172.5	-61.9	171.3	0	0	0	113.2	L40 N52 S53 S57 R58 L59	L40-L55 HydrophobicContact CD2-CD1 3.32Å; N52-L55 PolarHBondContact O-N 2.82Å; S53-L55 PolarHBondContact O-N 2.99Å; L55-S57 PolarHBondContact O-N 2.85Å; L55-S57 VanDerWaalsContact O-N 3.07Å; L55-R58 PolarHBondContact O-N 3.13Å; L55-L59 HydrophobicContact CB-CD1 3.47Å; L55-L59 VanDerWaalsContact CB-CD1 3.47Å; L55-L59 HydrophobicContact CB-CG 3.93Å; L55-L59 HydrophobicContact CD1-CD1 4.41Å; L55-L59 WeakPolarHBondContact O-CG 3.25Å; L55-L59 PolarHBondContact O-N 3.02Å
56	M	80.9	Confident	89.3	Confident	120 Å²	120	60.6 Å²	60.6	59%	0.591	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30	-171.4	78.8	172.9	167.5	0	0	114.1	Y51 N52 R58	Y51-M56 HydrophobicContact CG-CB 4.32Å; N52-M56 PolarHBondContact O-N 3.35Å; M56-R58 PolarHBondContact O-N 3.45Å
57	S	85.4	Confident	89.3	Confident	109 Å²	109	63 Å²	63	76%	0.762	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.5	-178.5	59	0	0	0	0	113.3	L55	L55-S57 PolarHBondContact O-N 2.85Å; L55-S57 VanDerWaalsContact O-N 3.07Å
58	R	88.6	Confident	89.3	Confident	33 Å²	33	63.4 Å²	63.4	13%	0.125	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-13.2	-174.8	-60.9	-169.6	-61.2	128.3	3.5	113.6	L55 M56 M74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.13Å; M56-R58 PolarHBondContact O-N 3.45Å; R58-M74 WeakPolarHBondContact O-CA 3.41Å; R58-N75 PolarHBondContact O-N 2.85Å; R58-S76 PolarHBondContact NH1-O 2.93Å; R58-D81 IonicContact CZ-OD1 3.16Å; R58-D81 IonicContact CZ-OD2 2.68Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 IonicContact NH1-OD2 3.57Å; R58-D81 PolarHBondContact NH1-OD2 2.86Å; R58-D81 IonicContact NH2-OD1 3.9Å; R58-D81 PolarHBondContact NH2-OD1 2.83Å; R58-D81 IonicContact NH2-OD2 2.94Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å; R58-D81 VanDerWaalsContact NH2-OD2 3.16Å
59	L	89.6	Confident	89.2	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.2	-176.8	-64.4	177.7	0	0	0	112.4	L40 Y51 L55 L72 K73 M74	L40-L59 HydrophobicContact CB-CD1 4.09Å; L40-L59 HydrophobicContact CD2-CD1 4.43Å; Y51-L59 HydrophobicContact CD1-CB 3.89Å; Y51-L59 HydrophobicContact CD1-CD1 4.5Å; Y51-L59 HydrophobicContact CE1-CB 4.12Å; L55-L59 HydrophobicContact CB-CD1 3.47Å; L55-L59 VanDerWaalsContact CB-CD1 3.47Å; L55-L59 HydrophobicContact CB-CG 3.93Å; L55-L59 HydrophobicContact CD1-CD1 4.41Å; L55-L59 WeakPolarHBondContact O-CG 3.25Å; L55-L59 PolarHBondContact O-N 3.02Å; L59-L72 HydrophobicContact CD2-CD1 4.15Å; L59-K73 CarbonylContact C-O 3.38Å; L59-K73 WeakPolarHBondContact CA-O 3.22Å; L59-M74 HydrophobicContact CD2-CB 4.06Å; L59-M74 HydrophobicContact CD2-CE 3.51Å; L59-M74 HydrophobicContact CD2-CG 3.77Å; L59-M74 HydrophobicContact CD2-SD 4.08Å
60	S	91.8	Very high	89.1	Confident	53 Å²	53	59.9 Å²	59.9	37%	0.371	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.5	167.5	177.3	0	0	0	0	108.8	K73	S60-K73 PolarHBondContact N-O 2.86Å; S60-K73 PolarHBondContact O-N 2.82Å
61	I	93.2	Very high	89	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133	176.4	-61	162.2	0	0	0	108.4	I43 T49 Y51 V70 F71 L72	I43-I61 HydrophobicContact CB-CG2 3.7Å; I43-I61 HydrophobicContact CD1-CG2 4.44Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; T49-I61 HydrophobicContact CG2-CB 4.34Å; Y51-I61 HydrophobicContact CD1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CB 4.24Å; Y51-I61 HydrophobicContact CE1-CD1 3.79Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.59Å; I61-V70 HydrophobicContact CG2-CG1 4.1Å; I61-F71 WeakPolarHBondContact CA-O 3.33Å; I61-L72 HydrophobicContact CD1-CD1 4.34Å; I61-L72 HydrophobicContact CG1-CD1 3.66Å
62	S	93.8	Very high	88.9	Confident	59 Å²	59	55 Å²	55	41%	0.413	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.7	174.7	67.2	0	0	0	0	110.9	V70 F71	S62-V70 CarbonylContact O-C 3.55Å; S62-V70 WeakPolarHBondContact O-CA 3.25Å; S62-V70 WeakPolarHBondContact O-CG1 3.38Å; S62-F71 PolarHBondContact N-O 2.88Å; S62-F71 PolarHBondContact O-N 3.24Å
63	K	92.9	Very high	89	Confident	44 Å²	44	57.4 Å²	57.4	19%	0.191	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.7	176.5	70.6	-177.2	-173.6	178.9	0	112	L21 I43 W44 A45 N65 Q69 V70	L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.39Å; L21-K63 PolarHBondContact O-NZ 3.24Å; I43-K63 HydrophobicContact CD1-CB 4Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.71Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.46Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; W44-K63 PolarHBondContact O-NZ 3.22Å; A45-K63 VanDerWaalsContact C-NZ 3.33Å; A45-K63 PolarHBondContact O-NZ 2.82Å; K63-N65 WeakPolarHBondContact CD-OD1 3.01Å; K63-N65 VanDerWaalsContact CE-OD1 3.31Å; K63-N65 WeakPolarHBondContact CE-OD1 3.33Å; K63-Q69 CarbonylContact C-O 3.56Å; K63-Q69 WeakPolarHBondContact CA-O 3.49Å; K63-V70 HydrophobicContact CB-CG2 4.11Å
64	D	92.9	Very high	89.2	Confident	40 Å²	40	52.8 Å²	52.8	21%	0.214	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	101.7	169.6	-175.7	-17.7	0	0	0	108.2	S66 K67 S68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.16Å; D64-S66 PolarHBondContact OD1-OG 2.85Å; D64-K67 HydrophobicContact CB-CB 4.36Å; D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact OD1-N 2.02Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 WeakPolarHBondContact OD2-CE 3.34Å; D64-K67 WeakPolarHBondContact OD2-CG 3.33Å; D64-K67 IonicContact OD2-NZ 3.95Å; D64-K67 PolarHBondContact OD2-NZ 2.96Å; D64-S68 PolarHBondContact O-N 2.9Å; D64-Q69 PolarHBondContact N-O 2.89Å; D64-Q69 PolarHBondContact O-N 2.99Å; D64-F71 HydrophobicContact CB-CE2 3.88Å
65	N	91	Very high	89.4	Confident	69 Å²	69	51.8 Å²	51.8	37%	0.369	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.9	-179.7	-64.1	-19.6	0	0	0	111.8	L21 T22 K63 K67 S68	L21-N65 VanDerWaalsContact CB-OD1 3.29Å; L21-N65 WeakPolarHBondContact CB-OD1 3.36Å; T22-N65 HydrophobicContact CG2-CB 4.28Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.27Å; K63-N65 WeakPolarHBondContact CD-OD1 3.01Å; K63-N65 VanDerWaalsContact CE-OD1 3.31Å; K63-N65 WeakPolarHBondContact CE-OD1 3.33Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3.35Å; N65-S68 PolarHBondContact O-N 2.85Å
66	S	90.7	Very high	89.6	Confident	104 Å²	104	54.6 Å²	54.6	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.2	-178.4	74.1	0	0	0	0	112	D64	D64-S66 VanDerWaalsContact C-N 3.25Å; D64-S66 PolarHBondContact O-N 2.84Å; D64-S66 WeakPolarHBondContact OD1-CB 3.4Å; D64-S66 PolarHBondContact OD1-N 3.16Å; D64-S66 PolarHBondContact OD1-OG 2.85Å
67	K	90.3	Very high	89.5	Confident	127 Å²	127	49.3 Å²	49.3	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.9	178.3	-62.9	-179.1	-168	158.2	0	113.5	D64 N65 Q69	D64-K67 HydrophobicContact CB-CB 4.36Å; D64-K67 PolarHBondContact O-N 2.9Å; D64-K67 PolarHBondContact OD1-N 2.02Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 WeakPolarHBondContact OD2-CE 3.34Å; D64-K67 WeakPolarHBondContact OD2-CG 3.33Å; D64-K67 IonicContact OD2-NZ 3.95Å; D64-K67 PolarHBondContact OD2-NZ 2.96Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3.35Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 PolarHBondContact O-N 2.94Å
68	S	89.8	Confident	89.3	Confident	44 Å²	44	48.8 Å²	48.8	31%	0.308	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	44.8	-171.6	-60.3	0	0	0	0	111.8	V16 D64 N65	V16-S68 WeakPolarHBondContact CG2-O 3.44Å; V16-S68 PolarHBondContact N-O 3.44Å; D64-S68 PolarHBondContact O-N 2.9Å; N65-S68 PolarHBondContact O-N 2.85Å
69	Q	91.3	Very high	88.7	Confident	48 Å²	48	50.8 Å²	50.8	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.5	-177.2	-77.3	175.8	-13.5	0	0	112.2	T13 C14 T15 L21 K63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.15Å; T13-Q69 HydrophobicContact CG2-CG 3.91Å; C14-Q69 CarbonylContact O-C 3.41Å; C14-Q69 VanDerWaalsContact O-CA 3.32Å; C14-Q69 WeakPolarHBondContact O-CA 3.15Å; T15-Q69 HydrophobicContact CG2-CG 4.38Å; T15-Q69 PolarHBondContact OG1-NE2 3.11Å; L21-Q69 WeakPolarHBondContact CD1-O 3.43Å; K63-Q69 CarbonylContact C-O 3.56Å; K63-Q69 WeakPolarHBondContact CA-O 3.49Å; D64-Q69 PolarHBondContact N-O 2.89Å; D64-Q69 PolarHBondContact O-N 2.99Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.17Å; K67-Q69 PolarHBondContact O-N 2.94Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CZ 3.63Å
70	V	91.5	Very high	88.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.5	170.7	-175	0	0	0	0	108	C14 L21 V26 W28 I43 I61 S62 K63	C14-V70 HydrophobicContact CB-CB 4.25Å; C14-V70 PolarHBondContact N-O 2.94Å; C14-V70 PolarHBondContact O-N 3.19Å; L21-V70 HydrophobicContact CD1-CG2 3.87Å; L21-V70 HydrophobicContact CD2-CG2 3.63Å; L21-V70 HydrophobicContact CG-CG2 4.43Å; V26-V70 HydrophobicContact CB-CG1 4.48Å; V26-V70 HydrophobicContact CB-CG2 4.01Å; V26-V70 HydrophobicContact CG1-CB 4.36Å; V26-V70 HydrophobicContact CG1-CG1 4.32Å; V26-V70 HydrophobicContact CG1-CG2 4.11Å; V26-V70 HydrophobicContact CG2-CG2 3.95Å; W28-V70 HydrophobicContact CZ2-CB 4.39Å; W28-V70 HydrophobicContact CZ2-CG1 4.13Å; I43-V70 HydrophobicContact CG2-CG1 3.71Å; I61-V70 HydrophobicContact CG2-CG1 4.1Å; S62-V70 CarbonylContact O-C 3.55Å; S62-V70 WeakPolarHBondContact O-CA 3.25Å; S62-V70 WeakPolarHBondContact O-CG1 3.38Å; K63-V70 HydrophobicContact CB-CG2 4.11Å
71	F	91.3	Very high	87.7	Confident	46 Å²	46	53.3 Å²	53.3	20%	0.202	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.3	-176.7	-52.1	-87.6	0	0	0	110	I12 T13 I61 S62 D64 Q69	I12-F71 CarbonylContact O-C 3.56Å; I12-F71 WeakPolarHBondContact O-CA 3.34Å; T13-F71 HydrophobicContact CG2-CD1 3.92Å; T13-F71 HydrophobicContact CG2-CE1 3.57Å; T13-F71 HydrophobicContact CG2-CZ 4.33Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.08Å; I61-F71 WeakPolarHBondContact CA-O 3.33Å; S62-F71 PolarHBondContact N-O 2.88Å; S62-F71 PolarHBondContact O-N 3.24Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 3.9Å; Q69-F71 HydrophobicContact CB-CZ 3.63Å
72	L	90.6	Very high	87.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.8	167.4	179.5	70.7	0	0	0	108	S11 I12 W28 L40 L59 I61 Y85	S11-L72 CarbonylContact C-O 3.6Å; S11-L72 WeakPolarHBondContact CA-O 3.18Å; I12-L72 HydrophobicContact CB-CB 4.38Å; I12-L72 HydrophobicContact CD1-CD2 4.29Å; I12-L72 PolarHBondContact N-O 2.79Å; I12-L72 PolarHBondContact O-N 3.01Å; W28-L72 HydrophobicContact CB-CD1 4.4Å; W28-L72 HydrophobicContact CB-CD2 4.44Å; W28-L72 HydrophobicContact CD2-CB 3.69Å; W28-L72 HydrophobicContact CD2-CD1 4.42Å; W28-L72 HydrophobicContact CD2-CD2 4.02Å; W28-L72 HydrophobicContact CD2-CG 4.27Å; W28-L72 HydrophobicContact CE3-CB 3.94Å; W28-L72 HydrophobicContact CE3-CD2 3.83Å; W28-L72 HydrophobicContact CE3-CG 4.46Å; W28-L72 HydrophobicContact CG-CB 4.23Å; W28-L72 HydrophobicContact CG-CD1 4.12Å; W28-L72 HydrophobicContact CG-CD2 4.3Å; W28-L72 HydrophobicContact CG-CG 4.47Å; W28-L72 HydrophobicContact CH2-CB 3.94Å; W28-L72 HydrophobicContact CZ2-CB 3.71Å; W28-L72 HydrophobicContact CZ3-CB 4.06Å; W28-L72 HydrophobicContact CZ3-CD2 4.36Å; L40-L72 HydrophobicContact CD1-CD2 3.78Å; L59-L72 HydrophobicContact CD2-CD1 4.15Å; I61-L72 HydrophobicContact CD1-CD1 4.34Å; I61-L72 HydrophobicContact CG1-CD1 3.66Å; L72-Y85 HydrophobicContact CD2-CD1 3.76Å; L72-Y85 HydrophobicContact CD2-CE1 4.1Å
73	K	89.6	Confident	86.8	Confident	97 Å²	97	52 Å²	52	42%	0.422	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.4	170.7	-172.1	175.9	-178.8	-178.1	0	109.5	L10 L59 S60 N75	L10-K73 CarbonylContact O-C 3.58Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 3.5Å; L59-K73 CarbonylContact C-O 3.38Å; L59-K73 WeakPolarHBondContact CA-O 3.22Å; S60-K73 PolarHBondContact N-O 2.86Å; S60-K73 PolarHBondContact O-N 2.82Å; K73-N75 VanDerWaalsContact CE-OD1 3.3Å; K73-N75 WeakPolarHBondContact CE-OD1 3.01Å
74	M	87.5	Confident	86.4	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.4	174.1	-166.9	174.9	-39.8	0	0	109.2	S9 L10 R58 L59 L77 D81 Y85	S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.25Å; S9-M74 WeakPolarHBondContact CA-O 3.4Å; L10-M74 HydrophobicContact CB-CB 4.48Å; L10-M74 PolarHBondContact N-O 3.27Å; L10-M74 PolarHBondContact O-N 2.84Å; R58-M74 WeakPolarHBondContact O-CA 3.41Å; L59-M74 HydrophobicContact CD2-CB 4.06Å; L59-M74 HydrophobicContact CD2-CE 3.51Å; L59-M74 HydrophobicContact CD2-CG 3.77Å; L59-M74 HydrophobicContact CD2-SD 4.08Å; M74-L77 HydrophobicContact CB-CD2 4.15Å; M74-L77 HydrophobicContact CG-CD2 4.05Å; M74-L77 HydrophobicContact SD-CD2 3.86Å; M74-D81 HydrophobicContact SD-CB 3.96Å; M74-Y85 HydrophobicContact CE-CE1 3.54Å; M74-Y85 VanDerWaalsContact CE-OH 3.27Å; M74-Y85 WeakPolarHBondContact CE-OH 3.3Å
75	N	85.7	Confident	86.1	Confident	57 Å²	57	51.2 Å²	51.2	31%	0.305	28%	0.277	S	S	.	.			trans	-96.1	154.4	177.3	-57.2	-44.2	0	0	0	110.2	S9 R58 K73	S9-N75 PolarHBondContact OG-OD1 2.86Å; R58-N75 PolarHBondContact O-N 2.85Å; K73-N75 VanDerWaalsContact CE-OD1 3.3Å; K73-N75 WeakPolarHBondContact CE-OD1 3.01Å
76	S	82.7	Confident	85.8	Confident	73 Å²	73	49.1 Å²	49.1	51%	0.51	26%	0.264	S	S	.	.	S	Bend	trans	53.5	57.6	176.4	-55.3	0	0	0	0	112.3	R58 Q78	R58-S76 PolarHBondContact NH1-O 2.93Å; S76-Q78 PolarHBondContact O-N 3.24Å
77	L	80.5	Confident	85.6	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	23%	0.229	C	C	.	.			trans	-55.9	135.1	177.9	-68.7	166.8	0	0	0	111.4	V4 S7 Q8 L10 M74 D81	V4-L77 HydrophobicContact CB-CD1 4.22Å; V4-L77 HydrophobicContact CG1-CD1 3.76Å; S7-L77 PolarHBondContact N-O 3.33Å; Q8-L77 WeakPolarHBondContact O-CD1 3.5Å; Q8-L77 WeakPolarHBondContact O-CG 3.33Å; L10-L77 HydrophobicContact CB-CD1 3.71Å; L10-L77 HydrophobicContact CB-CD2 3.82Å; L10-L77 HydrophobicContact CB-CG 4.17Å; L10-L77 HydrophobicContact CD2-CD2 4.32Å; M74-L77 HydrophobicContact CB-CD2 4.15Å; M74-L77 HydrophobicContact CG-CD2 4.05Å; M74-L77 HydrophobicContact SD-CD2 3.86Å; L77-D81 HydrophobicContact CD2-CB 4.26Å
78	Q	80.4	Confident	85.5	Confident	99 Å²	99	38.2 Å²	38.2	46%	0.463	20%	0.203	S	C	.	.			trans	-111.9	162.5	174.8	-62.7	176	-1.2	0	0	109.6	S76 D80 D81	S76-Q78 PolarHBondContact O-N 3.24Å; Q78-D80 PolarHBondContact O-N 3.48Å; Q78-D81 PolarHBondContact N-OD2 2.76Å; Q78-D81 WeakPolarHBondContact O-CB 3.22Å; Q78-D81 PolarHBondContact O-N 3.24Å
79	T	76.2	Confident	85.3	Confident	74 Å²	74	39.2 Å²	39.2	45%	0.454	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-53.5	-37.2	175.1	44.4	0	0	0	0	112.1	D81 T82 L111	T79-D81 PolarHBondContact O-N 3.21Å; T79-T82 VanDerWaalsContact O-CB 3.29Å; T79-T82 WeakPolarHBondContact O-CB 3.47Å; T79-T82 PolarHBondContact O-N 2.83Å; T79-T82 VanDerWaalsContact O-N 3.1Å; T79-T82 PolarHBondContact O-OG1 2.72Å; T79-L111 HydrophobicContact CG2-CD2 4.15Å
80	D	79.1	Confident	84.5	Confident	116 Å²	116	38.9 Å²	38.9	62%	0.62	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-70.7	-12	-178.6	-67.3	11.1	0	0	0	113.2	Q78 T82	Q78-D80 PolarHBondContact O-N 3.48Å; D80-T82 VanDerWaalsContact C-N 3.26Å
81	D	80.3	Confident	83.3	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-85.2	-0.1	174	-57.6	-47.8	0	0	0	112.6	R30 R58 M74 L77 Q78 T79 A83 Y85	R30-D81 IonicContact CZ-OD1 2.84Å; R30-D81 IonicContact NH1-OD1 3.35Å; R30-D81 PolarHBondContact NH1-OD1 3.03Å; R58-D81 IonicContact CZ-OD1 3.16Å; R58-D81 IonicContact CZ-OD2 2.68Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 IonicContact NH1-OD2 3.57Å; R58-D81 PolarHBondContact NH1-OD2 2.86Å; R58-D81 IonicContact NH2-OD1 3.9Å; R58-D81 PolarHBondContact NH2-OD1 2.83Å; R58-D81 IonicContact NH2-OD2 2.94Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å; R58-D81 VanDerWaalsContact NH2-OD2 3.16Å; M74-D81 HydrophobicContact SD-CB 3.96Å; L77-D81 HydrophobicContact CD2-CB 4.26Å; Q78-D81 PolarHBondContact N-OD2 2.76Å; Q78-D81 WeakPolarHBondContact O-CB 3.22Å; Q78-D81 PolarHBondContact O-N 3.24Å; T79-D81 PolarHBondContact O-N 3.21Å; D81-A83 PolarHBondContact O-N 3.23Å; D81-A83 VanDerWaalsContact O-N 3.07Å; D81-Y85 PolarHBondContact O-OH 3.04Å
82	T	82.7	Confident	81.6	Confident	35 Å²	35	47.6 Å²	47.6	22%	0.215	24%	0.238	C	C	.	.			trans	-67.6	105.8	172.9	-53.9	0	0	0	0	109.8	P33 T79 D80	P33-T82 VanDerWaalsContact CD-O 3.27Å; P33-T82 WeakPolarHBondContact CD-O 3.35Å; T79-T82 VanDerWaalsContact O-CB 3.29Å; T79-T82 WeakPolarHBondContact O-CB 3.47Å; T79-T82 PolarHBondContact O-N 2.83Å; T79-T82 VanDerWaalsContact O-N 3.1Å; T79-T82 PolarHBondContact O-OG1 2.72Å; D80-T82 VanDerWaalsContact C-N 3.26Å
83	A	85.6	Confident	79.7	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.033	27%	0.273	C	S	.	.	S	Bend	trans	-157.6	162.9	-176.1	0	0	0	0	0	110.8	R30 Q31 P32 D81 Y85	R30-A83 HydrophobicContact CB-CB 3.82Å; R30-A83 HydrophobicContact CG-CB 4.18Å; Q31-A83 WeakPolarHBondContact O-CA 3.35Å; Q31-A83 WeakPolarHBondContact O-CB 3.37Å; P32-A83 HydrophobicContact CB-CB 4.43Å; P32-A83 HydrophobicContact CG-CB 4.27Å; D81-A83 PolarHBondContact O-N 3.23Å; D81-A83 VanDerWaalsContact O-N 3.07Å; A83-Y85 HydrophobicContact CB-CE2 4.07Å; A83-Y85 WeakPolarHBondContact O-CD2 3.33Å; A83-Y85 WeakPolarHBondContact O-CE2 3.29Å
84	M	84.6	Confident	78	Confident	65 Å²	65	55.4 Å²	55.4	32%	0.32	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.2	161.2	-71.2	-174.7	72.1	0	0	109.1	R30 Q31 Y86 L106	R30-M84 CarbonylContact C-O 3.55Å; R30-M84 WeakPolarHBondContact CA-O 3.14Å; Q31-M84 HydrophobicContact CB-CB 4.49Å; Q31-M84 PolarHBondContact N-O 2.88Å; Q31-M84 PolarHBondContact O-N 2.89Å; M84-Y86 HydrophobicContact CB-CE1 4.49Å; M84-Y86 HydrophobicContact CB-CE2 3.69Å; M84-Y86 WeakPolarHBondContact CB-OH 3.45Å; M84-Y86 HydrophobicContact CE-CE1 4.06Å; M84-Y86 WeakPolarHBondContact CE-OH 3.32Å; M84-Y86 PolarHBondContact SD-OH 3.37Å; M84-L106 HydrophobicContact CG-CD1 3.42Å; M84-L106 VanDerWaalsContact CG-CD1 3.42Å; M84-L106 HydrophobicContact SD-CD1 4Å
85	Y	85.8	Confident	76.3	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145.2	177.3	-69.2	-99.3	0	0	0	109.9	L10 I12 V29 R30 L40 L72 M74 D81 A83 G105	L10-Y85 HydrophobicContact CD2-CE2 4.36Å; I12-Y85 VanDerWaalsContact CD1-CB 3.45Å; I12-Y85 HydrophobicContact CD1-CD1 3.7Å; I12-Y85 HydrophobicContact CD1-CD2 3.71Å; I12-Y85 HydrophobicContact CD1-CE1 4.38Å; I12-Y85 HydrophobicContact CD1-CE2 4.42Å; I12-Y85 HydrophobicContact CD1-CG 3.32Å; V29-Y85 CarbonylContact O-C 3.56Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.89Å; R30-Y85 HydrophobicContact CB-CG 4.35Å; L40-Y85 HydrophobicContact CD1-CD1 3.71Å; L40-Y85 HydrophobicContact CD1-CE1 3.62Å; L72-Y85 HydrophobicContact CD2-CD1 3.76Å; L72-Y85 HydrophobicContact CD2-CE1 4.1Å; M74-Y85 HydrophobicContact CE-CE1 3.54Å; M74-Y85 VanDerWaalsContact CE-OH 3.27Å; M74-Y85 WeakPolarHBondContact CE-OH 3.3Å; D81-Y85 PolarHBondContact O-OH 3.04Å; A83-Y85 HydrophobicContact CB-CE2 4.07Å; A83-Y85 WeakPolarHBondContact O-CD2 3.33Å; A83-Y85 WeakPolarHBondContact O-CE2 3.29Å; Y85-G105 PolarHBondContact N-O 2.79Å
86	Y	84.8	Confident	74.9	Confident	26 Å²	26	62.1 Å²	62.1	10%	0.102	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.5	-178	-54.1	-79.2	0	0	0	110	W28 V29 Q31 L37 M84 L99	W28-Y86 WeakPolarHBondContact CA-O 3.49Å; V29-Y86 PolarHBondContact N-O 3.35Å; V29-Y86 PolarHBondContact O-N 2.8Å; Q31-Y86 HydrophobicContact CB-CE2 3.82Å; Q31-Y86 PolarHBondContact OE1-OH 2.83Å; L37-Y86 HydrophobicContact CD2-CD2 4.08Å; L37-Y86 HydrophobicContact CD2-CE2 4.09Å; M84-Y86 HydrophobicContact CB-CE1 4.49Å; M84-Y86 HydrophobicContact CB-CE2 3.69Å; M84-Y86 WeakPolarHBondContact CB-OH 3.45Å; M84-Y86 HydrophobicContact CE-CE1 4.06Å; M84-Y86 WeakPolarHBondContact CE-OH 3.32Å; M84-Y86 PolarHBondContact SD-OH 3.37Å; Y86-L99 HydrophobicContact CG-CD2 4.46Å
87	C	88.3	Confident	74	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.5	163.8	58.1	0	0	0	0	109.7	C14 V26 H27 W28 L100 A103	C14-C87 HydrophobicContact CB-CB 3.59Å; C14-C87 WeakPolarHBondContact CB-SG 3.31Å; C14-C87 WeakPolarHBondContact SG-CB 3.29Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.73Å; V26-C87 HydrophobicContact CG1-CB 3.95Å; H27-C87 CarbonylContact O-C 3.54Å; H27-C87 WeakPolarHBondContact O-CA 3.44Å; W28-C87 HydrophobicContact CD2-CB 4.47Å; W28-C87 HydrophobicContact CE3-CB 4.3Å; W28-C87 HydrophobicContact CH2-CB 4.45Å; W28-C87 HydrophobicContact CZ3-CB 4.3Å; C87-L100 WeakPolarHBondContact O-CB 3.39Å; C87-L100 PolarHBondContact O-N 3.01Å; C87-L100 VanDerWaalsContact SG-CB 3.59Å; C87-A103 HydrophobicContact CB-CB 3.88Å; C87-A103 WeakPolarHBondContact SG-CB 3.47Å
88	A	87.5	Confident	73.4	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	179.4	0	0	0	0	0	110.3	V26 H27 S98 L99	V26-A88 CarbonylContact C-O 3.54Å; V26-A88 WeakPolarHBondContact CA-O 3.46Å; H27-A88 HydrophobicContact CB-CB 4.39Å; H27-A88 PolarHBondContact N-O 2.93Å; H27-A88 PolarHBondContact O-N 3.3Å; A88-S98 WeakPolarHBondContact CA-O 3.46Å; A88-L99 HydrophobicContact CB-CD2 4.29Å
89	R	85.1	Confident	72.7	Confident	66 Å²	66	67.9 Å²	67.9	25%	0.249	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.7	174.4	-179.7	-175.4	68.2	177.8	-1	109.6	F19 Y24 S98 L100	F19-R89 HydrophobicContact CD1-CG 4.46Å; F19-R89 HydrophobicContact CD2-CG 4.27Å; F19-R89 HydrophobicContact CE1-CB 4.19Å; F19-R89 HydrophobicContact CE1-CG 4.22Å; F19-R89 HydrophobicContact CE2-CG 4.01Å; F19-R89 HydrophobicContact CG-CG 4.47Å; F19-R89 HydrophobicContact CZ-CB 4.03Å; F19-R89 HydrophobicContact CZ-CG 3.98Å; Y24-R89 HydrophobicContact CD1-CG 4.21Å; Y24-R89 HydrophobicContact CG-CG 4.29Å; R89-S98 PolarHBondContact N-O 3.4Å; R89-L100 HydrophobicContact CB-CD1 4.26Å; R89-L100 HydrophobicContact CB-CD2 3.93Å; R89-L100 HydrophobicContact CB-CG 4.28Å
90	D	75.2	Confident	72.2	Confident	40 Å²	40	65.5 Å²	65.5	21%	0.214	35%	0.345	C	S	.	.			trans	-67.9	126.3	166.8	-172.4	41	0	0	0	109.8	Y24 G25 H27 W44	Y24-D90 WeakPolarHBondContact CD1-O 3.29Å; G25-D90 PolarHBondContact O-N 3.06Å; H27-D90 WeakPolarHBondContact NE2-CB 3.32Å; H27-D90 IonicContact NE2-OD1 3.49Å; W44-D90 WeakPolarHBondContact CZ3-OD2 3.46Å
91	S	65.3	Low	71.1	Confident	30 Å²	30	65.6 Å²	65.6	21%	0.21	35%	0.35	C	S	.	.			trans	-106.5	129.6	175.5	76.9	0	0	0	0	109.9	Y93 S96	S91-Y93 PolarHBondContact O-N 2.95Å; S91-S96 WeakPolarHBondContact CB-O 3.37Å; S91-S96 PolarHBondContact OG-O 3.39Å
92	Y	55.2	Low	69.6	Low	199 Å²	199	67 Å²	67	78%	0.78	37%	0.365	S	S	*	.	S	Bend	trans	-63.1	-2.8	-169.9	-145.1	-98.9	0	0	0	114.6
93	Y	51.8	Low	68.2	Low	193 Å²	193	65.4 Å²	65.4	76%	0.757	36%	0.356	S	S	*	.	S	Bend	trans	-120.7	114.3	-179.9	-72.1	-84.2	0	0	0	108.8	S91	S91-Y93 PolarHBondContact O-N 2.95Å
94	G	52.9	Low	66.6	Low	70 Å²	70	72.5 Å²	72.5	72%	0.722	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-28.4	130.3	-169.8	0	0	0	0	0	116.8
95	S	51.6	Low	65	Low	122 Å²	122	70 Å²	70	85%	0.853	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	8.3	157.4	-45.9	0	0	0	0	119
96	S	57.4	Low	63.2	Low	78 Å²	78	75.6 Å²	75.6	55%	0.545	41%	0.406	S	S	.	.			trans	-121.5	114.9	176.2	-63.1	0	0	0	0	113.3	S91	S91-S96 WeakPolarHBondContact CB-O 3.37Å; S91-S96 PolarHBondContact OG-O 3.39Å
97	Y	63.5	Low	61.5	Low	148 Å²	148	77.4 Å²	77.4	58%	0.58	41%	0.413	S	S	*	.			trans	-94.7	125	170.8	-60.4	-68.9	0	0	0	110.1	H27	H27-Y97 AromaticContact CD2-CE1 3.97Å; H27-Y97 AromaticContact CE1-CE1 3.81Å; H27-Y97 AromaticContact NE2-CE1 3.75Å
98	S	67.1	Low	59.1	Low	51 Å²	51	80.6 Å²	80.6	36%	0.357	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.7	171.9	-51.3	0	0	0	0	109.5	A88 R89 L100	A88-S98 WeakPolarHBondContact CA-O 3.46Å; R89-S98 PolarHBondContact N-O 3.4Å; S98-L100 PolarHBondContact O-N 3.35Å
99	L	67.1	Low	56.7	Low	102 Å²	102	82.1 Å²	82.1	53%	0.534	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	128.2	173.7	-68.1	177.7	0	0	0	109.6	Y86 A88	Y86-L99 HydrophobicContact CG-CD2 4.46Å; A88-L99 HydrophobicContact CB-CD2 4.29Å
100	L	64.4	Low	54.1	Low	24 Å²	24	83 Å²	83	13%	0.126	46%	0.459	C	S	.	.			trans	-86.5	136	177	-59	177.1	0	0	0	108.8	V16 F19 V26 C87 R89 S98 G102	V16-L100 HydrophobicContact CB-CD1 4.47Å; V16-L100 HydrophobicContact CG1-CD1 3.75Å; F19-L100 HydrophobicContact CE1-CD1 3.81Å; F19-L100 HydrophobicContact CE1-CD2 3.59Å; F19-L100 HydrophobicContact CE1-CG 4.35Å; F19-L100 HydrophobicContact CZ-CD1 3.61Å; F19-L100 HydrophobicContact CZ-CD2 4.21Å; V26-L100 HydrophobicContact CG1-CD1 4.31Å; C87-L100 WeakPolarHBondContact O-CB 3.39Å; C87-L100 PolarHBondContact O-N 3.01Å; C87-L100 VanDerWaalsContact SG-CB 3.59Å; R89-L100 HydrophobicContact CB-CD1 4.26Å; R89-L100 HydrophobicContact CB-CD2 3.93Å; R89-L100 HydrophobicContact CB-CG 4.28Å; S98-L100 PolarHBondContact O-N 3.35Å; L100-G102 PolarHBondContact O-N 3.27Å; L100-G102 VanDerWaalsContact O-N 3.16Å
101	T	56.3	Low	52.4	Low	118 Å²	118	91 Å²	91	72%	0.724	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-69.8	-9	-177.6	45.6	0	0	0	0	113.3
102	G	50.3	Low	51.7	Low	32 Å²	32	94 Å²	94	33%	0.33	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-90.9	-10.3	-168.6	0	0	0	0	0	118.1	T15 L100	T15-G102 WeakPolarHBondContact O-CA 3.32Å; L100-G102 PolarHBondContact O-N 3.27Å; L100-G102 VanDerWaalsContact O-N 3.16Å
103	A	53	Low	51.6	Low	3 Å²	3	88.5 Å²	88.5	3%	0.025	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-120.7	35.7	178	0	0	0	0	0	114.2	C14 W28 C87 G105	C14-A103 HydrophobicContact CB-CB 3.62Å; W28-A103 HydrophobicContact CH2-CB 3.93Å; W28-A103 HydrophobicContact CZ3-CB 3.78Å; C87-A103 HydrophobicContact CB-CB 3.88Å; C87-A103 WeakPolarHBondContact SG-CB 3.47Å; A103-G105 VanDerWaalsContact C-N 3.32Å; A103-G105 PolarHBondContact O-N 2.59Å
104	K	52.1	Low	51.6	Low	152 Å²	152	82.7 Å²	82.7	66%	0.661	49%	0.487	S	S	*	.			trans	-74.8	89.8	172.7	-65.9	-165	179.7	-169.1	0	109.6
105	G	51.2	Low	51.5	Low	12 Å²	12	83.4 Å²	83.4	12%	0.124	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.7	170.1	0	0	0	0	0	110.5	Y85 A103	Y85-G105 PolarHBondContact N-O 2.79Å; A103-G105 VanDerWaalsContact C-N 3.32Å; A103-G105 PolarHBondContact O-N 2.59Å
106	L	46.6	Very low	51.5	Low	121 Å²	121	81 Å²	81	63%	0.634	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.2	165.1	-174.9	72	0	0	0	107.5	M84	M84-L106 HydrophobicContact CG-CD1 3.42Å; M84-L106 VanDerWaalsContact CG-CD1 3.42Å; M84-L106 HydrophobicContact SD-CD1 4Å
107	W	50.3	Low	51.1	Low	63 Å²	63	81.2 Å²	81.2	24%	0.239	44%	0.443	C	S	.	.			trans	-117.6	118.1	177.6	-54.4	96.1	0	0	0	108.3	G2 V4 L10	G2-W107 VanDerWaalsContact CA-CZ3 3.45Å; G2-W107 WeakPolarHBondContact O-CZ3 3.2Å; V4-W107 HydrophobicContact CG2-CE3 3.84Å; V4-W107 HydrophobicContact CG2-CZ3 4.14Å; L10-W107 HydrophobicContact CD1-CD2 4.05Å; L10-W107 HydrophobicContact CD1-CE3 4.3Å; L10-W107 HydrophobicContact CD1-CG 4.44Å; L10-W107 HydrophobicContact CD1-CZ2 4.4Å
108	S	37.8	Very low	50.2	Low	67 Å²	67	76.4 Å²	76.4	47%	0.469	43%	0.434	S	S	.	.			trans	-100.1	112.3	170.2	56.8	0	0	0	0	108.3	S110	S108-S110 PolarHBondContact O-N 3.49Å
109	L	36.7	Very low	48.9	Very low	33 Å²	33	78.4 Å²	78.4	17%	0.173	44%	0.439	C	S	.	.			trans	-75.9	114.7	161.8	-88.9	101.4	0	0	0	107.5	V4 P6	V4-L109 WeakPolarHBondContact O-CG 3.43Å; P6-L109 HydrophobicContact CG-CD2 4.09Å
110	S	30.3	Very low	47.4	Very low	84 Å²	84	76.4 Å²	76.4	59%	0.587	43%	0.432	S	S	*	.			trans	-92.7	131.2	161.3	-60	0	0	0	0	107.4	S108	S108-S110 PolarHBondContact O-N 3.49Å
111	L	39.3	Very low	45.8	Very low	208 Å²	208	81.2 Å²	81.2	100%	1.089	46%	0.459	S	S	*	.			trans	-58.6	0	168.8	-76	159.9	0	0	0	110.9	T79	T79-L111 HydrophobicContact CG2-CD2 4.15Å

Retrieved 111 of 111 residues in 21.8 ms (Link to these results)

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