A0A096NR98_PAPAN Loading...

Immunoglobulin lambda variable 3-1

AlphaFold DB , UniProt , Accession A0A096NR98, Species PAPAN (Papio anubis, Olive baboon), Gene IGLV3-1, Length 98 aa.

						>A0A096NR98_PAPAN|A0A096NR98|IGLV3-1
SYELTQPPSVSVSPGQTASITCSGDKLGNAYAYWYQQKPGQAPVLVIYKDSNRPSGIPERFSGSNSGNTATLTISGVEAGDEADYYCATSYGSGSSWQ
					

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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	S	57.3	Low	88.3	Confident	83 Å²	83	85.5 Å²	85.5	58%	0.58	50%	0.502	S	S	*	.				0	167.7	0	-152.8	0	0	0	0	110.1	E3 D25	S1-E3 VanDerWaalsContact C-N 3.31Å; S1-E3 WeakPolarHBondContact OG-CG 3.49Å; S1-D25 PolarHBondContact N-OD2 2.96Å
2	Y	68.4	Low	88.9	Confident	143 Å²	143	83.3 Å²	83.3	56%	0.561	49%	0.49	S	S	*	.			trans	-93.8	6.3	168.8	-64.1	-76.1	0	0	0	112.6	K26 Y91 S96	Y2-K26 HydrophobicContact CD1-CB 4.45Å; Y2-K26 HydrophobicContact CD1-CG 4.31Å; Y2-K26 HydrophobicContact CE1-CG 4.23Å; Y2-Y91 AromaticContact CD1-CE2 3.99Å; Y2-Y91 HydrophobicContact CD1-CE2 3.99Å; Y2-Y91 HydrophobicContact CE1-CD2 4.41Å; Y2-Y91 HydrophobicContact CE1-CE2 4.16Å; Y2-S96 PolarHBondContact O-OG 3.11Å
3	E	83.8	Confident	89.5	Confident	119 Å²	119	83.2 Å²	83.2	56%	0.556	50%	0.496	S	S	*	.			trans	-63.4	136.7	172.1	-53.3	-53.4	125.9	0	0	109.9	S1	S1-E3 VanDerWaalsContact C-N 3.31Å; S1-E3 WeakPolarHBondContact OG-CG 3.49Å
4	L	91.3	Very high	90.1	Very high	6 Å²	6	84.8 Å²	84.8	3%	0.031	51%	0.51	C	S	.	.			trans	-107.1	150.5	167.8	-58	171	0	0	0	107.9	S23 L27 T89 Q98	L4-S23 CarbonylContact C-O 3.53Å; L4-S23 WeakPolarHBondContact CA-O 3.05Å; L4-L27 HydrophobicContact CD2-CD1 4.21Å; L4-T89 HydrophobicContact CD1-CG2 4Å; L4-T89 HydrophobicContact CD2-CG2 4.1Å; L4-T89 HydrophobicContact CG-CG2 4.3Å; L4-Q98 HydrophobicContact CB-CB 3.82Å; L4-Q98 HydrophobicContact CB-CG 4.32Å; L4-Q98 HydrophobicContact CD1-CB 4.36Å; L4-Q98 WeakPolarHBondContact O-CG 3.32Å; L4-Q98 PolarHBondContact O-OE1 3.09Å
5	T	94.8	Very high	90.5	Very high	98 Å²	98	82.6 Å²	82.6	60%	0.601	51%	0.512	S	S	*	.	B	Isolated β-bridge	trans	-126	129.6	175.9	-54.6	0	0	0	0	109.2	C22 S23	T5-C22 WeakPolarHBondContact O-CA 3.36Å; T5-S23 PolarHBondContact N-O 3.38Å; T5-S23 PolarHBondContact O-N 2.66Å
6	Q	96.2	Very high	91	Very high	40 Å²	40	85 Å²	85	19%	0.187	52%	0.515	C	S	.	.			trans	-117.2	153.9	172.7	-74.4	-177.6	-124	0	0	110.5	C22 Y85 C87	Q6-C22 HydrophobicContact CG-CB 4.12Å; Q6-Y85 PolarHBondContact NE2-O 2.94Å; Q6-C87 HydrophobicContact CG-CB 4.26Å
7	P	96.8	Very high	91.5	Very high	45 Å²	45	84.8 Å²	84.8	29%	0.292	51%	0.514	S	S	.	.			trans	-60.9	146.2	166.8	27.9	-33	0	0	0	109.7	S9 V10 T21	P7-S9 PolarHBondContact O-N 3.38Å; P7-V10 HydrophobicContact CG-CG2 3.97Å; P7-T21 WeakPolarHBondContact CD-O 3.21Å
8	P	94.4	Very high	91.8	Very high	139 Å²	139	80.5 Å²	80.5	90%	0.903	49%	0.489	S	S	*	.	S	Bend	trans	-65.5	-29.3	-177.7	26.5	-34.9	0	0	0	112.8
9	S	95.8	Very high	92.2	Very high	90 Å²	90	79.5 Å²	79.5	63%	0.629	49%	0.486	S	S	*	.			trans	-160.7	159.3	173.7	62	0	0	0	0	110.8	P7	P7-S9 PolarHBondContact O-N 3.38Å
10	V	96.3	Very high	92.5	Very high	64 Å²	64	76.4 Å²	76.4	39%	0.388	47%	0.466	S	S	.	.			trans	-132	130.6	170	178.6	0	0	0	0	107.1	P7 V12 I20	P7-V10 HydrophobicContact CG-CG2 3.97Å; V10-V12 HydrophobicContact CG1-CG1 4.27Å; V10-I20 HydrophobicContact CG2-CG1 4.25Å
11	S	95.8	Very high	92.7	Very high	113 Å²	113	75.4 Å²	75.4	79%	0.79	46%	0.46	S	S	*	.			trans	-122.7	127.2	178.8	-57.5	0	0	0	0	109.8
12	V	96.3	Very high	94.6	Very high	60 Å²	60	71.4 Å²	71.4	36%	0.364	43%	0.432	S	S	.	.			trans	-140	152.3	178.1	-61.1	0	0	0	0	110.2	V10 Q16 A18 V77	V10-V12 HydrophobicContact CG1-CG1 4.27Å; V12-Q16 HydrophobicContact CB-CB 4.45Å; V12-A18 HydrophobicContact CG1-CB 4.28Å; V12-A18 HydrophobicContact CG2-CB 3.9Å; V12-V77 HydrophobicContact CG2-CB 4.08Å; V12-V77 HydrophobicContact CG2-CG1 4.06Å; V12-V77 HydrophobicContact CG2-CG2 3.84Å
13	S	96.7	Very high	95.9	Very high	81 Å²	81	66.8 Å²	66.8	57%	0.566	42%	0.421	S	S	*	.			trans	-74.9	151.3	174.2	-58.7	0	0	0	0	111.3	G15 Q16	S13-G15 PolarHBondContact O-N 2.78Å; S13-Q16 VanDerWaalsContact O-CB 3.28Å; S13-Q16 WeakPolarHBondContact O-CB 3.34Å; S13-Q16 PolarHBondContact O-N 3.21Å; S13-Q16 VanDerWaalsContact O-N 3.09Å
14	P	96.9	Very high	96.2	Very high	106 Å²	106	61.7 Å²	61.7	69%	0.688	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	140.4	172.2	-27.2	35.2	0	0	0	112.5	Q16 V77	P14-Q16 PolarHBondContact O-N 3.47Å; P14-V77 CarbonylContact C-O 3.56Å; P14-V77 WeakPolarHBondContact CA-O 3.31Å
15	G	97.3	Very high	96	Very high	52 Å²	52	66.4 Å²	66.4	54%	0.536	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-9.3	-176.7	0	0	0	0	0	115.2	S13 V77	S13-G15 PolarHBondContact O-N 2.78Å; G15-V77 PolarHBondContact N-O 2.87Å
16	Q	98.3	Very high	95.5	Very high	121 Å²	121	66.4 Å²	66.4	57%	0.565	42%	0.417	S	S	*	.	S	Bend	trans	-84.7	172.5	171.9	-61.1	-61.5	-57.9	0	0	111.5	V12 S13 P14 G76 V77	V12-Q16 HydrophobicContact CB-CB 4.45Å; S13-Q16 VanDerWaalsContact O-CB 3.28Å; S13-Q16 WeakPolarHBondContact O-CB 3.34Å; S13-Q16 PolarHBondContact O-N 3.21Å; S13-Q16 VanDerWaalsContact O-N 3.09Å; P14-Q16 PolarHBondContact O-N 3.47Å; Q16-G76 PolarHBondContact O-N 3.03Å; Q16-V77 WeakPolarHBondContact O-CG2 3.32Å; Q16-V77 PolarHBondContact O-N 2.77Å
17	T	98.4	Very high	95.1	Very high	81 Å²	81	64.5 Å²	64.5	50%	0.497	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-95.7	123.5	176.7	-61.1	0	0	0	0	110.4	T73 I74	T17-T73 HydrophobicContact CG2-CG2 3.53Å; T17-I74 CarbonylContact C-O 3.53Å; T17-I74 VanDerWaalsContact CA-O 3.31Å; T17-I74 WeakPolarHBondContact CA-O 2.93Å
18	A	98.1	Very high	94.7	Very high	8 Å²	8	64.2 Å²	64.2	7%	0.066	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.3	166.1	0	0	0	0	0	110.5	V12 T73 I74 V77	V12-A18 HydrophobicContact CG1-CB 4.28Å; V12-A18 HydrophobicContact CG2-CB 3.9Å; A18-T73 WeakPolarHBondContact O-CA 3.31Å; A18-I74 HydrophobicContact CB-CB 4.35Å; A18-I74 PolarHBondContact N-O 2.87Å; A18-I74 PolarHBondContact O-N 2.85Å; A18-V77 HydrophobicContact CB-CG2 3.77Å
19	S	98	Very high	94.4	Very high	62 Å²	62	63.8 Å²	63.8	43%	0.434	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114.9	171.6	-176.2	0	0	0	0	108.7	T71 L72	S19-T71 WeakPolarHBondContact OG-CG2 2.94Å; S19-L72 WeakPolarHBondContact CA-O 3.41Å
20	I	98.3	Very high	94.1	Very high	16 Å²	16	60.1 Å²	60.1	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	-179.7	-50.9	177.8	0	0	0	107.3	V10 W34 T71 L72 Y85	V10-I20 HydrophobicContact CG2-CG1 4.25Å; I20-W34 HydrophobicContact CB-CH2 4.28Å; I20-W34 HydrophobicContact CB-CZ3 4.27Å; I20-W34 HydrophobicContact CG2-CH2 3.93Å; I20-W34 HydrophobicContact CG2-CZ3 3.77Å; I20-W34 WeakPolarHBondContact O-CH2 3.41Å; I20-T71 CarbonylContact O-C 3.58Å; I20-T71 WeakPolarHBondContact O-CA 3.48Å; I20-L72 HydrophobicContact CB-CB 4.39Å; I20-L72 HydrophobicContact CD1-CD2 4.39Å; I20-L72 PolarHBondContact N-O 2.87Å; I20-L72 PolarHBondContact O-N 3.31Å; I20-Y85 HydrophobicContact CD1-CD1 4.32Å; I20-Y85 HydrophobicContact CD1-CD2 3.56Å; I20-Y85 HydrophobicContact CD1-CE2 4.2Å; I20-Y85 HydrophobicContact CD1-CG 3.62Å
21	T	98	Very high	93.9	Very high	56 Å²	56	62.6 Å²	62.6	34%	0.344	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	150.2	-176.8	56.6	0	0	0	0	111.6	P7 T69 A70 T71	P7-T21 WeakPolarHBondContact CD-O 3.21Å; T21-T69 HydrophobicContact CG2-CG2 4.46Å; T21-A70 CarbonylContact C-O 3.55Å; T21-A70 WeakPolarHBondContact CA-O 3.46Å; T21-T71 HydrophobicContact CG2-CG2 4.4Å
22	C	96.3	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.7	176	169.7	0	0	0	0	107.9	T5 Q6 L27 W34 T69 A70 C87	T5-C22 WeakPolarHBondContact O-CA 3.36Å; Q6-C22 HydrophobicContact CG-CB 4.12Å; C22-L27 VanDerWaalsContact O-CD2 3.31Å; C22-L27 WeakPolarHBondContact O-CD2 3.38Å; C22-W34 HydrophobicContact CB-CH2 3.58Å; C22-W34 HydrophobicContact CB-CZ2 3.7Å; C22-T69 CarbonylContact O-C 3.51Å; C22-T69 WeakPolarHBondContact O-CA 3.21Å; C22-A70 HydrophobicContact CB-CB 4.43Å; C22-A70 PolarHBondContact N-O 3.43Å; C22-A70 PolarHBondContact O-N 3.29Å; C22-C87 HydrophobicContact CB-CB 3.4Å; C22-C87 VanDerWaalsContact CB-CB 3.4Å; C22-C87 WeakPolarHBondContact CB-SG 3.31Å; C22-C87 WeakPolarHBondContact SG-CB 3.38Å; C22-C87 CovalentContact SG-SG 2.03Å; C22-C87 PolarHBondContact SG-SG 3.41Å
23	S	95.2	Very high	93.9	Very high	46 Å²	46	56.2 Å²	56.2	32%	0.322	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.5	-176.8	-67.7	0	0	0	0	111.2	L4 T5 N68 T69	L4-S23 CarbonylContact C-O 3.53Å; L4-S23 WeakPolarHBondContact CA-O 3.05Å; T5-S23 PolarHBondContact N-O 3.38Å; T5-S23 PolarHBondContact O-N 2.66Å; S23-N68 WeakPolarHBondContact CA-O 3.44Å; S23-T69 PolarHBondContact OG-OG1 2.85Å
24	G	91.1	Very high	94	Very high	11 Å²	11	52.3 Å²	52.3	11%	0.113	31%	0.307	C	S	.	.			trans	-167.1	143.6	174.6	0	0	0	0	0	112.2	K26 L27 N68	G24-K26 PolarHBondContact O-N 2.87Å; G24-L27 VanDerWaalsContact O-CB 3.31Å; G24-L27 WeakPolarHBondContact O-CB 3.42Å; G24-L27 PolarHBondContact O-N 2.73Å; G24-N68 PolarHBondContact N-O 2.83Å; G24-N68 VanDerWaalsContact O-CB 3.31Å; G24-N68 WeakPolarHBondContact O-CB 3.28Å
25	D	87	Confident	94	Very high	106 Å²	106	49.2 Å²	49.2	57%	0.567	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.2	-170.7	-62.8	-30.9	0	0	0	115.1	S1 N68	S1-D25 PolarHBondContact N-OD2 2.96Å; D25-N68 PolarHBondContact O-ND2 2.87Å; D25-N68 VanDerWaalsContact O-ND2 3.09Å; D25-N68 PolarHBondContact O-OD1 2.81Å
26	K	84.9	Confident	94.1	Very high	97 Å²	97	47.9 Å²	47.9	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-7.6	-174.9	-65.1	-62.2	-172.6	-177.5	0	113.2	Y2 G24 G28 N29 Y91	Y2-K26 HydrophobicContact CD1-CB 4.45Å; Y2-K26 HydrophobicContact CD1-CG 4.31Å; Y2-K26 HydrophobicContact CE1-CG 4.23Å; G24-K26 PolarHBondContact O-N 2.87Å; K26-G28 PolarHBondContact O-N 3.39Å; K26-G28 VanDerWaalsContact O-N 3.13Å; K26-N29 PolarHBondContact O-N 3.11Å; K26-Y91 HydrophobicContact CB-CE1 3.87Å; K26-Y91 WeakPolarHBondContact CB-OH 3.38Å; K26-Y91 VanDerWaalsContact O-CE1 3.3Å; K26-Y91 WeakPolarHBondContact O-CE1 3.09Å; K26-Y91 PolarHBondContact O-OH 3.21Å
27	L	88.3	Confident	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.1	-171.7	-165.9	63.8	0	0	0	113.2	L4 C22 G24 N29 A30 A32 N65 A70 Y91	L4-L27 HydrophobicContact CD2-CD1 4.21Å; C22-L27 VanDerWaalsContact O-CD2 3.31Å; C22-L27 WeakPolarHBondContact O-CD2 3.38Å; G24-L27 VanDerWaalsContact O-CB 3.31Å; G24-L27 WeakPolarHBondContact O-CB 3.42Å; G24-L27 PolarHBondContact O-N 2.73Å; L27-N29 PolarHBondContact O-N 2.9Å; L27-A30 PolarHBondContact O-N 3.21Å; L27-A30 VanDerWaalsContact O-N 3.15Å; L27-A32 HydrophobicContact CD1-CB 4.23Å; L27-N65 PolarHBondContact O-ND2 3.34Å; L27-N65 VanDerWaalsContact O-ND2 3.12Å; L27-A70 HydrophobicContact CD2-CB 3.7Å; L27-A70 VanDerWaalsContact CD2-N 3.34Å; L27-Y91 PolarHBondContact N-OH 3.42Å
28	G	86.9	Confident	94	Very high	40 Å²	40	44 Å²	44	41%	0.412	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-68.5	-12.3	175.5	0	0	0	0	0	115.9	K26 G67 N68	K26-G28 PolarHBondContact O-N 3.39Å; K26-G28 VanDerWaalsContact O-N 3.13Å; G28-G67 WeakPolarHBondContact CA-O 3.32Å; G28-G67 PolarHBondContact N-O 2.93Å; G28-N68 PolarHBondContact N-OD1 2.81Å
29	N	88.3	Confident	93.9	Very high	130 Å²	130	49.3 Å²	49.3	70%	0.695	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-110.4	18.5	174.7	-58.9	-70.9	0	0	0	111.7	K26 L27	K26-N29 PolarHBondContact O-N 3.11Å; L27-N29 PolarHBondContact O-N 2.9Å
30	A	89.4	Confident	93.8	Very high	12 Å²	12	50.8 Å²	50.8	10%	0.099	30%	0.296	C	S	.	.	S	Bend	trans	-138.1	168.7	-169.3	0	0	0	0	0	111.2	L27 N65 T89 Y91	L27-A30 PolarHBondContact O-N 3.21Å; L27-A30 VanDerWaalsContact O-N 3.15Å; A30-N65 PolarHBondContact O-ND2 3.26Å; A30-T89 WeakPolarHBondContact CB-OG1 3.28Å; A30-Y91 HydrophobicContact CB-CD1 3.68Å; A30-Y91 HydrophobicContact CB-CD2 4.47Å; A30-Y91 HydrophobicContact CB-CE1 3.18Å; A30-Y91 HydrophobicContact CB-CE2 4.02Å; A30-Y91 HydrophobicContact CB-CG 4.29Å; A30-Y91 WeakPolarHBondContact CB-OH 3.46Å
31	Y	92.6	Very high	93.8	Very high	116 Å²	116	55.1 Å²	55.1	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.9	165	-70.9	-53.7	0	0	0	110.8	Y33 K49 D50 T89 S90	Y31-Y33 WeakPolarHBondContact O-CD2 3.4Å; Y31-Y33 WeakPolarHBondContact O-CE2 3.41Å; Y31-K49 HydrophobicContact CD1-CB 3.98Å; Y31-K49 HydrophobicContact CD1-CG 4.2Å; Y31-K49 HydrophobicContact CD2-CG 4.15Å; Y31-K49 HydrophobicContact CE1-CB 4.39Å; Y31-K49 HydrophobicContact CG-CB 4.22Å; Y31-K49 HydrophobicContact CG-CG 3.99Å; Y31-D50 VanDerWaalsContact CD1-OD2 3.28Å; Y31-D50 WeakPolarHBondContact CD1-OD2 3.35Å; Y31-T89 VanDerWaalsContact O-CA 3.3Å; Y31-T89 WeakPolarHBondContact O-CA 3.41Å; Y31-T89 PolarHBondContact O-OG1 2.96Å; Y31-S90 PolarHBondContact N-O 3.13Å; Y31-S90 VanDerWaalsContact N-O 3.16Å; Y31-S90 PolarHBondContact O-N 2.96Å
32	A	94.6	Very high	93.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.8	167.8	0	0	0	0	0	111.3	L27 K49 D50 A70 A88	L27-A32 HydrophobicContact CD1-CB 4.23Å; A32-K49 PolarHBondContact O-N 3.18Å; A32-D50 PolarHBondContact N-OD1 3.21Å; A32-D50 PolarHBondContact O-N 3.44Å; A32-A70 HydrophobicContact CB-CB 3.47Å; A32-A70 VanDerWaalsContact CB-CB 3.47Å; A32-A88 CarbonylContact C-O 3.57Å; A32-A88 WeakPolarHBondContact CA-O 3.32Å
33	Y	96.9	Very high	93.7	Very high	39 Å²	39	59.4 Å²	59.4	15%	0.153	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.9	175.9	-60.2	-104.4	0	0	0	108.2	Y31 L45 I47 C87 A88	Y31-Y33 WeakPolarHBondContact O-CD2 3.4Å; Y31-Y33 WeakPolarHBondContact O-CE2 3.41Å; Y33-L45 HydrophobicContact CD1-CD1 4.14Å; Y33-I47 CarbonylContact C-O 3.57Å; Y33-I47 WeakPolarHBondContact CA-O 3.12Å; Y33-C87 WeakPolarHBondContact O-CA 3.3Å; Y33-A88 PolarHBondContact N-O 3.42Å; Y33-A88 PolarHBondContact O-N 3Å
34	W	98.3	Very high	93.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.6	179.2	-69.8	96	0	0	0	110.4	I20 C22 V46 I47 A70 L72 Y86 C87	I20-W34 HydrophobicContact CB-CH2 4.28Å; I20-W34 HydrophobicContact CB-CZ3 4.27Å; I20-W34 HydrophobicContact CG2-CH2 3.93Å; I20-W34 HydrophobicContact CG2-CZ3 3.77Å; I20-W34 WeakPolarHBondContact O-CH2 3.41Å; C22-W34 HydrophobicContact CB-CH2 3.58Å; C22-W34 HydrophobicContact CB-CZ2 3.7Å; W34-V46 HydrophobicContact CB-CG2 3.79Å; W34-V46 VanDerWaalsContact O-CG2 3.31Å; W34-V46 WeakPolarHBondContact O-CG2 3.39Å; W34-V46 PolarHBondContact O-N 3.5Å; W34-I47 HydrophobicContact CB-CB 4.12Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 3.14Å; W34-I47 PolarHBondContact O-N 3.26Å; W34-A70 HydrophobicContact CZ2-CB 4.29Å; W34-L72 HydrophobicContact CB-CD1 4.15Å; W34-L72 HydrophobicContact CB-CD2 4.25Å; W34-L72 HydrophobicContact CD2-CB 3.55Å; W34-L72 HydrophobicContact CD2-CD2 4.2Å; W34-L72 HydrophobicContact CD2-CG 4.33Å; W34-L72 HydrophobicContact CE3-CB 3.86Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CG-CB 3.92Å; W34-L72 HydrophobicContact CG-CD1 4.1Å; W34-L72 HydrophobicContact CG-CD2 4.31Å; W34-L72 HydrophobicContact CG-CG 4.35Å; W34-L72 HydrophobicContact CH2-CB 4.2Å; W34-L72 HydrophobicContact CZ2-CB 3.94Å; W34-L72 HydrophobicContact CZ3-CB 4.17Å; W34-Y86 WeakPolarHBondContact CA-O 3.45Å; W34-C87 HydrophobicContact CE3-CB 4.17Å; W34-C87 HydrophobicContact CH2-CB 4.09Å; W34-C87 HydrophobicContact CZ2-CB 4.44Å; W34-C87 HydrophobicContact CZ3-CB 3.94Å
35	Y	98.4	Very high	94.2	Very high	40 Å²	40	62.5 Å²	62.5	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.5	178.8	-59.9	-97.9	0	0	0	109.8	P43 V44 L45 Y85 Y86 A88 W97	Y35-P43 HydrophobicContact CD1-CB 4.4Å; Y35-V44 CarbonylContact C-O 3.49Å; Y35-V44 WeakPolarHBondContact CA-O 3.46Å; Y35-L45 HydrophobicContact CD1-CB 4.07Å; Y35-L45 HydrophobicContact CD1-CD1 4.21Å; Y35-L45 HydrophobicContact CE1-CB 3.85Å; Y35-L45 HydrophobicContact CE1-CD1 3.67Å; Y35-L45 HydrophobicContact CE1-CG 4.35Å; Y35-L45 HydrophobicContact CE2-CD1 4.09Å; Y35-Y85 CarbonylContact O-C 3.59Å; Y35-Y85 VanDerWaalsContact O-CA 3.29Å; Y35-Y85 WeakPolarHBondContact O-CA 3Å; Y35-Y86 PolarHBondContact N-O 2.94Å; Y35-Y86 PolarHBondContact O-N 2.96Å; Y35-A88 HydrophobicContact CE2-CB 3.95Å; Y35-W97 AromaticContact CD2-CZ3 3.95Å; Y35-W97 HydrophobicContact CD2-CZ3 3.95Å; Y35-W97 HydrophobicContact CE1-CH2 4.45Å; Y35-W97 HydrophobicContact CE1-CZ3 4.22Å; Y35-W97 HydrophobicContact CE2-CE3 4.26Å; Y35-W97 AromaticContact CE2-CH2 3.96Å; Y35-W97 HydrophobicContact CE2-CH2 3.96Å; Y35-W97 AromaticContact CE2-CZ3 3.32Å; Y35-W97 HydrophobicContact CE2-CZ3 3.32Å; Y35-W97 AromaticContact CZ-CH2 3.68Å; Y35-W97 AromaticContact CZ-CZ3 3.46Å; Y35-W97 VanDerWaalsContact CZ-CZ3 3.46Å; Y35-W97 WeakPolarHBondContact OH-CH2 2.83Å
36	Q	98.4	Very high	94.7	Very high	25 Å²	25	57.6 Å²	57.6	12%	0.117	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.2	170.3	-177.3	-173.3	62.5	0	0	108.6	V44 V46 A83 Y85	Q36-V44 PolarHBondContact N-O 2.93Å; Q36-V44 PolarHBondContact O-N 3.17Å; Q36-V46 HydrophobicContact CB-CG1 3.67Å; Q36-A83 HydrophobicContact CG-CB 3.46Å; Q36-A83 VanDerWaalsContact CG-CB 3.46Å; Q36-Y85 HydrophobicContact CB-CD1 4.16Å; Q36-Y85 HydrophobicContact CB-CE1 3.81Å; Q36-Y85 HydrophobicContact CG-CD1 4.38Å; Q36-Y85 HydrophobicContact CG-CE1 3.74Å; Q36-Y85 PolarHBondContact NE2-OH 2.8Å
37	Q	98.3	Very high	95.4	Very high	54 Å²	54	53 Å²	53	25%	0.252	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.7	172.5	-170.7	175.6	17.7	0	0	110.4	Q41 P43 A83 D84 Y86	Q37-Q41 WeakPolarHBondContact CG-O 3.32Å; Q37-Q41 PolarHBondContact NE2-O 2.86Å; Q37-P43 HydrophobicContact CB-CB 4.48Å; Q37-P43 HydrophobicContact CB-CG 4.34Å; Q37-P43 HydrophobicContact CG-CG 4.27Å; Q37-A83 WeakPolarHBondContact O-CB 3.44Å; Q37-D84 HydrophobicContact CB-CB 4.44Å; Q37-D84 PolarHBondContact N-O 2.82Å; Q37-D84 PolarHBondContact O-N 3.34Å; Q37-Y86 HydrophobicContact CB-CD2 4.25Å; Q37-Y86 HydrophobicContact CB-CE2 3.74Å
38	K	97.1	Very high	95.8	Very high	66 Å²	66	56.8 Å²	56.8	29%	0.287	33%	0.332	S	S	.	.			trans	-86.2	154.5	171.1	-68.6	-179.1	177.6	-173.8	0	110.4	G40 Q41 G80 A83	K38-G40 PolarHBondContact O-N 2.93Å; K38-Q41 HydrophobicContact CB-CB 4.32Å; K38-Q41 HydrophobicContact CB-CG 4.22Å; K38-Q41 WeakPolarHBondContact O-CB 3.28Å; K38-Q41 PolarHBondContact O-N 2.8Å; K38-G80 WeakPolarHBondContact CE-O 3.33Å; K38-G80 PolarHBondContact NZ-O 2.82Å; K38-A83 HydrophobicContact CG-CB 4.12Å
39	P	96.5	Very high	96.2	Very high	119 Å²	119	59.7 Å²	59.7	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	125.3	177.4	-28.6	35.5	0	0	0	112.4	Q41	P39-Q41 VanDerWaalsContact C-N 3.28Å; P39-Q41 PolarHBondContact O-N 2.83Å
40	G	96.1	Very high	96.6	Very high	93 Å²	93	55.1 Å²	55.1	96%	0.959	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	8	179.7	0	0	0	0	0	115.6	K38	K38-G40 PolarHBondContact O-N 2.93Å
41	Q	96.3	Very high	97	Very high	108 Å²	108	58 Å²	58	51%	0.505	33%	0.328	S	S	.	.	S	Bend	trans	-112.3	157.9	178.4	-59.1	-174.6	6.7	0	0	111.6	Q37 K38 P39	Q37-Q41 WeakPolarHBondContact CG-O 3.32Å; Q37-Q41 PolarHBondContact NE2-O 2.86Å; K38-Q41 HydrophobicContact CB-CB 4.32Å; K38-Q41 HydrophobicContact CB-CG 4.22Å; K38-Q41 WeakPolarHBondContact O-CB 3.28Å; K38-Q41 PolarHBondContact O-N 2.8Å; P39-Q41 VanDerWaalsContact C-N 3.28Å; P39-Q41 PolarHBondContact O-N 2.83Å
42	A	96.1	Very high	97.2	Very high	76 Å²	76	55.8 Å²	55.8	63%	0.628	32%	0.324	S	S	*	.			trans	-72.6	150.4	169.5	0	0	0	0	0	110.3	V44	A42-V44 PolarHBondContact O-N 2.63Å
43	P	97.5	Very high	97.4	Very high	69 Å²	69	59.9 Å²	59.9	45%	0.448	34%	0.34	S	S	.	.			trans	-58.2	134.1	173.6	-23.8	33.6	0	0	0	112.3	Y35 Q37	Y35-P43 HydrophobicContact CD1-CB 4.4Å; Q37-P43 HydrophobicContact CB-CB 4.48Å; Q37-P43 HydrophobicContact CB-CG 4.34Å; Q37-P43 HydrophobicContact CG-CG 4.27Å
44	V	97.9	Very high	97.4	Very high	69 Å²	69	59.7 Å²	59.7	42%	0.418	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.8	178.4	179	0	0	0	0	109.4	Y35 Q36 A42 V46	Y35-V44 CarbonylContact C-O 3.49Å; Y35-V44 WeakPolarHBondContact CA-O 3.46Å; Q36-V44 PolarHBondContact N-O 2.93Å; Q36-V44 PolarHBondContact O-N 3.17Å; A42-V44 PolarHBondContact O-N 2.63Å; V44-V46 PolarHBondContact O-N 3.27Å
45	L	98.2	Very high	97.4	Very high	54 Å²	54	66 Å²	66	28%	0.283	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.5	176.8	-178.5	68.7	0	0	0	110.6	Y33 Y35 I47 P54	Y33-L45 HydrophobicContact CD1-CD1 4.14Å; Y35-L45 HydrophobicContact CD1-CB 4.07Å; Y35-L45 HydrophobicContact CD1-CD1 4.21Å; Y35-L45 HydrophobicContact CE1-CB 3.85Å; Y35-L45 HydrophobicContact CE1-CD1 3.67Å; Y35-L45 HydrophobicContact CE1-CG 4.35Å; Y35-L45 HydrophobicContact CE2-CD1 4.09Å; L45-I47 VanDerWaalsContact CD1-O 3.25Å; L45-I47 WeakPolarHBondContact CD1-O 3.25Å; L45-P54 HydrophobicContact CD2-CG 4.16Å; L45-P54 HydrophobicContact CG-CG 4.12Å
46	V	98.4	Very high	97.3	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-32	178.9	-64.2	0	0	0	0	113.1	W34 Q36 V44 P54 I57 F61 L72	W34-V46 HydrophobicContact CB-CG2 3.79Å; W34-V46 VanDerWaalsContact O-CG2 3.31Å; W34-V46 WeakPolarHBondContact O-CG2 3.39Å; W34-V46 PolarHBondContact O-N 3.5Å; Q36-V46 HydrophobicContact CB-CG1 3.67Å; V44-V46 PolarHBondContact O-N 3.27Å; V46-P54 WeakPolarHBondContact O-CD 3.47Å; V46-I57 HydrophobicContact CB-CG2 4.24Å; V46-I57 HydrophobicContact CG1-CD1 4.24Å; V46-I57 HydrophobicContact CG1-CG2 4.46Å; V46-F61 HydrophobicContact CB-CD1 4.28Å; V46-F61 HydrophobicContact CG2-CD1 4.42Å; V46-L72 HydrophobicContact CG2-CD1 4.3Å; V46-L72 HydrophobicContact CG2-CD2 4.35Å
47	I	98.6	Very high	97.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.8	172.9	-58	-67.8	0	0	0	109.4	Y33 W34 L45 N52 R53 F61 L72	Y33-I47 CarbonylContact C-O 3.57Å; Y33-I47 WeakPolarHBondContact CA-O 3.12Å; W34-I47 HydrophobicContact CB-CB 4.12Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 3.14Å; W34-I47 PolarHBondContact O-N 3.26Å; L45-I47 VanDerWaalsContact CD1-O 3.25Å; L45-I47 WeakPolarHBondContact CD1-O 3.25Å; I47-N52 CarbonylContact C-O 2.98Å; I47-N52 WeakPolarHBondContact CA-O 3.29Å; I47-R53 HydrophobicContact CD1-CB 3.97Å; I47-R53 HydrophobicContact CD1-CG 4.31Å; I47-F61 HydrophobicContact CD1-CB 4.45Å; I47-L72 HydrophobicContact CG1-CD1 3.57Å
48	Y	97	Very high	97.3	Very high	81 Å²	81	67.7 Å²	67.7	32%	0.318	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-135.1	156.7	175.9	71.5	-81.8	0	0	0	111.5	D50 N52 P54	Y48-D50 VanDerWaalsContact C-N 3.28Å; Y48-D50 PolarHBondContact O-N 3.4Å; Y48-N52 HydrophobicContact CD1-CB 3.77Å; Y48-N52 WeakPolarHBondContact CD1-O 3.35Å; Y48-N52 HydrophobicContact CD2-CB 3.93Å; Y48-N52 HydrophobicContact CE1-CB 3.39Å; Y48-N52 HydrophobicContact CE2-CB 3.56Å; Y48-N52 HydrophobicContact CG-CB 4.02Å; Y48-N52 PolarHBondContact N-O 3.02Å; Y48-N52 WeakPolarHBondContact O-CA 3.43Å; Y48-N52 VanDerWaalsContact O-CB 3.28Å; Y48-N52 WeakPolarHBondContact O-CB 3.3Å; Y48-N52 PolarHBondContact O-N 2.89Å; Y48-P54 HydrophobicContact CD1-CG 3.9Å; Y48-P54 HydrophobicContact CE1-CG 4.16Å
49	K	95.6	Very high	97.3	Very high	100 Å²	100	72.5 Å²	72.5	44%	0.435	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	54.3	179.4	-68.6	179.8	179.2	-175.9	0	111.6	Y31 A32 S51	Y31-K49 HydrophobicContact CD1-CB 3.98Å; Y31-K49 HydrophobicContact CD1-CG 4.2Å; Y31-K49 HydrophobicContact CD2-CG 4.15Å; Y31-K49 HydrophobicContact CE1-CB 4.39Å; Y31-K49 HydrophobicContact CG-CB 4.22Å; Y31-K49 HydrophobicContact CG-CG 3.99Å; A32-K49 PolarHBondContact O-N 3.18Å; K49-S51 PolarHBondContact O-N 2.84Å
50	D	96.1	Very high	97.4	Very high	34 Å²	34	68.9 Å²	68.9	18%	0.182	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-45.9	179.2	-51.1	-42.7	0	0	0	116.1	Y31 A32 Y48 G63 S64 N65	Y31-D50 VanDerWaalsContact CD1-OD2 3.28Å; Y31-D50 WeakPolarHBondContact CD1-OD2 3.35Å; A32-D50 PolarHBondContact N-OD1 3.21Å; A32-D50 PolarHBondContact O-N 3.44Å; Y48-D50 VanDerWaalsContact C-N 3.28Å; Y48-D50 PolarHBondContact O-N 3.4Å; D50-G63 CarbonylContact O-C 3.59Å; D50-G63 VanDerWaalsContact O-CA 3.31Å; D50-G63 WeakPolarHBondContact O-CA 3.3Å; D50-S64 PolarHBondContact O-N 2.97Å; D50-N65 HydrophobicContact CB-CB 3.86Å; D50-N65 VanDerWaalsContact OD1-CB 3.31Å; D50-N65 WeakPolarHBondContact OD1-CB 3.35Å; D50-N65 PolarHBondContact OD1-ND2 3.42Å
51	S	97.4	Very high	97.5	Very high	72 Å²	72	64.8 Å²	64.8	50%	0.503	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	-7.6	-170.7	62.3	0	0	0	0	115	K49 G63	K49-S51 PolarHBondContact O-N 2.84Å; S51-G63 VanDerWaalsContact CB-O 3.29Å; S51-G63 WeakPolarHBondContact CB-O 3.31Å
52	N	98.1	Very high	97.6	Very high	70 Å²	70	62.2 Å²	62.2	37%	0.374	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-75	134.2	179.8	-61.8	-33.9	0	0	0	110.3	I47 Y48	I47-N52 CarbonylContact C-O 2.98Å; I47-N52 WeakPolarHBondContact CA-O 3.29Å; Y48-N52 HydrophobicContact CD1-CB 3.77Å; Y48-N52 WeakPolarHBondContact CD1-O 3.35Å; Y48-N52 HydrophobicContact CD2-CB 3.93Å; Y48-N52 HydrophobicContact CE1-CB 3.39Å; Y48-N52 HydrophobicContact CE2-CB 3.56Å; Y48-N52 HydrophobicContact CG-CB 4.02Å; Y48-N52 PolarHBondContact N-O 3.02Å; Y48-N52 WeakPolarHBondContact O-CA 3.43Å; Y48-N52 VanDerWaalsContact O-CB 3.28Å; Y48-N52 WeakPolarHBondContact O-CB 3.3Å; Y48-N52 PolarHBondContact O-N 2.89Å
53	R	98.1	Very high	97.7	Very high	87 Å²	87	59.2 Å²	59.2	33%	0.328	34%	0.343	S	S	.	.			trans	-107.8	128.2	179.3	-179.6	162.5	48	93.8	5.3	110	I47 I57 P58 E59 F61	I47-R53 HydrophobicContact CD1-CB 3.97Å; I47-R53 HydrophobicContact CD1-CG 4.31Å; R53-I57 HydrophobicContact CG-CB 3.66Å; R53-I57 HydrophobicContact CG-CG1 4.49Å; R53-I57 HydrophobicContact CG-CG2 3.81Å; R53-I57 PolarHBondContact NH1-O 3.21Å; R53-P58 VanDerWaalsContact CD-O 3.28Å; R53-P58 WeakPolarHBondContact CD-O 3.28Å; R53-P58 PolarHBondContact NE-O 3.48Å; R53-P58 PolarHBondContact NH1-O 3.09Å; R53-E59 VanDerWaalsContact NH1-CA 3.3Å; R53-F61 WeakPolarHBondContact CD-O 3.42Å; R53-F61 PolarHBondContact NE-O 3.35Å
54	P	98.1	Very high	97.7	Very high	34 Å²	34	58.6 Å²	58.6	22%	0.221	34%	0.34	C	S	.	.			trans	-61.3	154.5	173.6	-22.6	34.8	0	0	0	112.1	L45 V46 Y48 I57	L45-P54 HydrophobicContact CD2-CG 4.16Å; L45-P54 HydrophobicContact CG-CG 4.12Å; V46-P54 WeakPolarHBondContact O-CD 3.47Å; Y48-P54 HydrophobicContact CD1-CG 3.9Å; Y48-P54 HydrophobicContact CE1-CG 4.16Å; P54-I57 HydrophobicContact CB-CG1 4.11Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 PolarHBondContact O-N 2.92Å
55	S	97.3	Very high	97.6	Very high	132 Å²	132	57.2 Å²	57.2	92%	0.923	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	142.1	171.7	-174.2	0	0	0	0	110.7	I57	S55-I57 VanDerWaalsContact C-N 3.3Å; S55-I57 PolarHBondContact O-N 2.87Å
56	G	96.5	Very high	97.4	Very high	76 Å²	76	59.3 Å²	59.3	78%	0.784	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-10.6	-179.1	0	0	0	0	0	115.2
57	I	98.1	Very high	97.1	Very high	28 Å²	28	61.8 Å²	61.8	14%	0.144	38%	0.375	C	S	.	.	S	Bend	trans	-81.8	135.2	170.6	-55.6	-55.7	0	0	0	109.1	V46 R53 P54 S55 F61	V46-I57 HydrophobicContact CB-CG2 4.24Å; V46-I57 HydrophobicContact CG1-CD1 4.24Å; V46-I57 HydrophobicContact CG1-CG2 4.46Å; R53-I57 HydrophobicContact CG-CB 3.66Å; R53-I57 HydrophobicContact CG-CG1 4.49Å; R53-I57 HydrophobicContact CG-CG2 3.81Å; R53-I57 PolarHBondContact NH1-O 3.21Å; P54-I57 HydrophobicContact CB-CG1 4.11Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 PolarHBondContact O-N 2.92Å; S55-I57 VanDerWaalsContact C-N 3.3Å; S55-I57 PolarHBondContact O-N 2.87Å; I57-F61 HydrophobicContact CG2-CB 3.91Å; I57-F61 HydrophobicContact CG2-CD2 4.03Å; I57-F61 HydrophobicContact CG2-CG 3.97Å
58	P	97.9	Very high	96.9	Very high	51 Å²	51	65.1 Å²	65.1	33%	0.331	39%	0.393	S	S	.	.			trans	-60.8	152.4	-177.2	-26.4	35.7	0	0	0	115.1	R53 R60 F61	R53-P58 VanDerWaalsContact CD-O 3.28Å; R53-P58 WeakPolarHBondContact CD-O 3.28Å; R53-P58 PolarHBondContact NE-O 3.48Å; R53-P58 PolarHBondContact NH1-O 3.09Å; P58-R60 HydrophobicContact CB-CG 3.81Å; P58-R60 PolarHBondContact O-N 2.79Å; P58-F61 HydrophobicContact CB-CD2 4.12Å; P58-F61 HydrophobicContact CB-CE2 4.4Å; P58-F61 HydrophobicContact CG-CD2 4.33Å; P58-F61 HydrophobicContact CG-CE2 4.26Å; P58-F61 PolarHBondContact O-N 2.89Å; P58-F61 VanDerWaalsContact O-N 3.14Å
59	E	97.6	Very high	96.8	Very high	168 Å²	168	63.6 Å²	63.6	79%	0.785	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-178.3	-59.5	-159.1	147	0	0	115.4	R53 F61	R53-E59 VanDerWaalsContact NH1-CA 3.3Å; E59-F61 PolarHBondContact O-N 2.91Å
60	R	98.3	Very high	96.9	Very high	43 Å²	43	58.9 Å²	58.9	16%	0.162	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.2	174.2	53.8	170.5	-169.8	-86.2	4.3	114.7	P58 I74 S75 E78 D81	P58-R60 HydrophobicContact CB-CG 3.81Å; P58-R60 PolarHBondContact O-N 2.79Å; R60-I74 HydrophobicContact CG-CG2 4.34Å; R60-I74 WeakPolarHBondContact O-CA 3.31Å; R60-S75 WeakPolarHBondContact CA-OG 3.36Å; R60-S75 WeakPolarHBondContact CB-O 3.32Å; R60-S75 WeakPolarHBondContact CD-O 3.22Å; R60-S75 PolarHBondContact O-N 2.83Å; R60-S75 PolarHBondContact O-OG 3.33Å; R60-E78 IonicContact CZ-OE1 2.87Å; R60-E78 IonicContact CZ-OE2 2.73Å; R60-E78 IonicContact NH1-OE1 3.26Å; R60-E78 PolarHBondContact NH1-OE1 2.93Å; R60-E78 IonicContact NH1-OE2 3.34Å; R60-E78 PolarHBondContact NH1-OE2 3.15Å; R60-E78 IonicContact NH2-OE2 2.9Å; R60-E78 PolarHBondContact NH2-OE2 3.16Å; R60-D81 IonicContact CZ-OD1 2.85Å; R60-D81 IonicContact CZ-OD2 3.07Å; R60-D81 IonicContact NE-OD1 3.39Å; R60-D81 PolarHBondContact NE-OD1 2.9Å; R60-D81 IonicContact NE-OD2 3.96Å; R60-D81 PolarHBondContact NE-OD2 3.31Å; R60-D81 IonicContact NH2-OD1 3.46Å; R60-D81 PolarHBondContact NH2-OD1 2.8Å; R60-D81 IonicContact NH2-OD2 3.5Å; R60-D81 PolarHBondContact NH2-OD2 3.45Å
61	F	98.6	Very high	97	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.2	177.4	-72.3	-98.6	0	0	0	110.4	V46 I47 R53 I57 P58 E59 L72 I74 D81 Y85	V46-F61 HydrophobicContact CB-CD1 4.28Å; V46-F61 HydrophobicContact CG2-CD1 4.42Å; I47-F61 HydrophobicContact CD1-CB 4.45Å; R53-F61 WeakPolarHBondContact CD-O 3.42Å; R53-F61 PolarHBondContact NE-O 3.35Å; I57-F61 HydrophobicContact CG2-CB 3.91Å; I57-F61 HydrophobicContact CG2-CD2 4.03Å; I57-F61 HydrophobicContact CG2-CG 3.97Å; P58-F61 HydrophobicContact CB-CD2 4.12Å; P58-F61 HydrophobicContact CB-CE2 4.4Å; P58-F61 HydrophobicContact CG-CD2 4.33Å; P58-F61 HydrophobicContact CG-CE2 4.26Å; P58-F61 PolarHBondContact O-N 2.89Å; P58-F61 VanDerWaalsContact O-N 3.14Å; E59-F61 PolarHBondContact O-N 2.91Å; F61-L72 HydrophobicContact CD1-CD1 4.33Å; F61-I74 HydrophobicContact CD1-CD1 4.13Å; F61-I74 HydrophobicContact CD1-CG1 3.8Å; F61-I74 HydrophobicContact CE1-CD1 3.45Å; F61-I74 VanDerWaalsContact CE1-CD1 3.45Å; F61-I74 HydrophobicContact CE1-CG1 3.62Å; F61-I74 HydrophobicContact CE1-CG2 4.2Å; F61-I74 HydrophobicContact CE2-CG2 4.17Å; F61-I74 HydrophobicContact CZ-CD1 3.98Å; F61-I74 HydrophobicContact CZ-CG1 4.25Å; F61-I74 HydrophobicContact CZ-CG2 3.99Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.43Å; F61-Y85 HydrophobicContact CE1-CE1 4.03Å
62	S	98.6	Very high	97.1	Very high	55 Å²	55	55 Å²	55	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.5	174.3	56.7	0	0	0	0	110.5	T73	S62-T73 PolarHBondContact N-O 3.19Å; S62-T73 PolarHBondContact O-N 2.84Å; S62-T73 WeakPolarHBondContact OG-CB 3.28Å; S62-T73 PolarHBondContact OG-O 2.95Å
63	G	98.3	Very high	97.1	Very high	13 Å²	13	53.4 Å²	53.4	13%	0.134	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.1	174.9	0	0	0	0	0	112.4	D50 S51 T71	D50-G63 CarbonylContact O-C 3.59Å; D50-G63 VanDerWaalsContact O-CA 3.31Å; D50-G63 WeakPolarHBondContact O-CA 3.3Å; S51-G63 VanDerWaalsContact CB-O 3.29Å; S51-G63 WeakPolarHBondContact CB-O 3.31Å; G63-T71 CarbonylContact C-O 3.56Å; G63-T71 WeakPolarHBondContact CA-O 3.4Å
64	S	97.3	Very high	97.1	Very high	56 Å²	56	49.4 Å²	49.4	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.6	172.9	60.1	0	0	0	0	110.1	D50 A70 T71	D50-S64 PolarHBondContact O-N 2.97Å; S64-A70 CarbonylContact O-C 3.59Å; S64-A70 WeakPolarHBondContact O-CA 3.41Å; S64-T71 PolarHBondContact N-O 2.9Å; S64-T71 PolarHBondContact O-N 3.13Å
65	N	95.5	Very high	97.1	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.3	172	-173.5	5.2	0	0	0	108.1	L27 A30 D50 T69 A70	L27-N65 PolarHBondContact O-ND2 3.34Å; L27-N65 VanDerWaalsContact O-ND2 3.12Å; A30-N65 PolarHBondContact O-ND2 3.26Å; D50-N65 HydrophobicContact CB-CB 3.86Å; D50-N65 VanDerWaalsContact OD1-CB 3.31Å; D50-N65 WeakPolarHBondContact OD1-CB 3.35Å; D50-N65 PolarHBondContact OD1-ND2 3.42Å; N65-T69 PolarHBondContact OD1-O 3.01Å; N65-A70 HydrophobicContact CB-CB 4.38Å
66	S	93.9	Very high	97.2	Very high	97 Å²	97	45.5 Å²	45.5	68%	0.678	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.3	-179.2	-176.8	0	0	0	0	110.2	N68 T69	S66-N68 PolarHBondContact O-N 3.07Å; S66-N68 VanDerWaalsContact O-N 3.11Å; S66-T69 PolarHBondContact N-O 2.03Å; S66-T69 PolarHBondContact O-N 3.05Å; S66-T69 VanDerWaalsContact O-N 3.08Å
67	G	91.9	Very high	97.2	Very high	54 Å²	54	42.9 Å²	42.9	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-117.7	-172.2	0	0	0	0	0	109.9	G28	G28-G67 WeakPolarHBondContact CA-O 3.32Å; G28-G67 PolarHBondContact N-O 2.93Å
68	N	93.9	Very high	97.2	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	21.2	-179.3	-79.7	-10.8	0	0	0	113.1	S23 G24 D25 G28 S66	S23-N68 WeakPolarHBondContact CA-O 3.44Å; G24-N68 PolarHBondContact N-O 2.83Å; G24-N68 VanDerWaalsContact O-CB 3.31Å; G24-N68 WeakPolarHBondContact O-CB 3.28Å; D25-N68 PolarHBondContact O-ND2 2.87Å; D25-N68 VanDerWaalsContact O-ND2 3.09Å; D25-N68 PolarHBondContact O-OD1 2.81Å; G28-N68 PolarHBondContact N-OD1 2.81Å; S66-N68 PolarHBondContact O-N 3.07Å; S66-N68 VanDerWaalsContact O-N 3.11Å
69	T	96.3	Very high	97.1	Very high	50 Å²	50	48 Å²	48	31%	0.307	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121	-176.3	-58.8	0	0	0	0	110.9	T21 C22 S23 N65 S66	T21-T69 HydrophobicContact CG2-CG2 4.46Å; C22-T69 CarbonylContact O-C 3.51Å; C22-T69 WeakPolarHBondContact O-CA 3.21Å; S23-T69 PolarHBondContact OG-OG1 2.85Å; N65-T69 PolarHBondContact OD1-O 3.01Å; S66-T69 PolarHBondContact N-O 2.03Å; S66-T69 PolarHBondContact O-N 3.05Å; S66-T69 VanDerWaalsContact O-N 3.08Å
70	A	97.1	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148	167	0	0	0	0	0	110.6	T21 C22 L27 A32 W34 S64 N65	T21-A70 CarbonylContact C-O 3.55Å; T21-A70 WeakPolarHBondContact CA-O 3.46Å; C22-A70 HydrophobicContact CB-CB 4.43Å; C22-A70 PolarHBondContact N-O 3.43Å; C22-A70 PolarHBondContact O-N 3.29Å; L27-A70 HydrophobicContact CD2-CB 3.7Å; L27-A70 VanDerWaalsContact CD2-N 3.34Å; A32-A70 HydrophobicContact CB-CB 3.47Å; A32-A70 VanDerWaalsContact CB-CB 3.47Å; W34-A70 HydrophobicContact CZ2-CB 4.29Å; S64-A70 CarbonylContact O-C 3.59Å; S64-A70 WeakPolarHBondContact O-CA 3.41Å; N65-A70 HydrophobicContact CB-CB 4.38Å
71	T	98.4	Very high	96.9	Very high	24 Å²	24	40.3 Å²	40.3	15%	0.147	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.4	179.9	-55.3	0	0	0	0	109.7	S19 I20 T21 G63 S64	S19-T71 WeakPolarHBondContact OG-CG2 2.94Å; I20-T71 CarbonylContact O-C 3.58Å; I20-T71 WeakPolarHBondContact O-CA 3.48Å; T21-T71 HydrophobicContact CG2-CG2 4.4Å; G63-T71 CarbonylContact C-O 3.56Å; G63-T71 WeakPolarHBondContact CA-O 3.4Å; S64-T71 PolarHBondContact N-O 2.9Å; S64-T71 PolarHBondContact O-N 3.13Å
72	L	98.7	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.8	163.4	-179.9	67.9	0	0	0	108.8	S19 I20 W34 V46 I47 F61 I74 Y85	S19-L72 WeakPolarHBondContact CA-O 3.41Å; I20-L72 HydrophobicContact CB-CB 4.39Å; I20-L72 HydrophobicContact CD1-CD2 4.39Å; I20-L72 PolarHBondContact N-O 2.87Å; I20-L72 PolarHBondContact O-N 3.31Å; W34-L72 HydrophobicContact CB-CD1 4.15Å; W34-L72 HydrophobicContact CB-CD2 4.25Å; W34-L72 HydrophobicContact CD2-CB 3.55Å; W34-L72 HydrophobicContact CD2-CD2 4.2Å; W34-L72 HydrophobicContact CD2-CG 4.33Å; W34-L72 HydrophobicContact CE3-CB 3.86Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CG-CB 3.92Å; W34-L72 HydrophobicContact CG-CD1 4.1Å; W34-L72 HydrophobicContact CG-CD2 4.31Å; W34-L72 HydrophobicContact CG-CG 4.35Å; W34-L72 HydrophobicContact CH2-CB 4.2Å; W34-L72 HydrophobicContact CZ2-CB 3.94Å; W34-L72 HydrophobicContact CZ3-CB 4.17Å; V46-L72 HydrophobicContact CG2-CD1 4.3Å; V46-L72 HydrophobicContact CG2-CD2 4.35Å; I47-L72 HydrophobicContact CG1-CD1 3.57Å; F61-L72 HydrophobicContact CD1-CD1 4.33Å; L72-I74 HydrophobicContact CD2-CD1 4.45Å; L72-I74 HydrophobicContact CG-CG1 4.36Å; L72-Y85 HydrophobicContact CD2-CD1 3.5Å; L72-Y85 HydrophobicContact CD2-CE1 3.93Å; L72-Y85 HydrophobicContact CD2-CG 4.26Å
73	T	98.6	Very high	96.8	Very high	37 Å²	37	46.6 Å²	46.6	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.9	175.2	-60.4	0	0	0	0	109.7	T17 A18 S62	T17-T73 HydrophobicContact CG2-CG2 3.53Å; A18-T73 WeakPolarHBondContact O-CA 3.31Å; S62-T73 PolarHBondContact N-O 3.19Å; S62-T73 PolarHBondContact O-N 2.84Å; S62-T73 WeakPolarHBondContact OG-CB 3.28Å; S62-T73 PolarHBondContact OG-O 2.95Å
74	I	98.7	Very high	96.8	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	105.6	174.6	-47.9	173.9	0	0	0	106.9	T17 A18 R60 F61 L72 V77 Y85	T17-I74 CarbonylContact C-O 3.53Å; T17-I74 VanDerWaalsContact CA-O 3.31Å; T17-I74 WeakPolarHBondContact CA-O 2.93Å; A18-I74 HydrophobicContact CB-CB 4.35Å; A18-I74 PolarHBondContact N-O 2.87Å; A18-I74 PolarHBondContact O-N 2.85Å; R60-I74 HydrophobicContact CG-CG2 4.34Å; R60-I74 WeakPolarHBondContact O-CA 3.31Å; F61-I74 HydrophobicContact CD1-CD1 4.13Å; F61-I74 HydrophobicContact CD1-CG1 3.8Å; F61-I74 HydrophobicContact CE1-CD1 3.45Å; F61-I74 VanDerWaalsContact CE1-CD1 3.45Å; F61-I74 HydrophobicContact CE1-CG1 3.62Å; F61-I74 HydrophobicContact CE1-CG2 4.2Å; F61-I74 HydrophobicContact CE2-CG2 4.17Å; F61-I74 HydrophobicContact CZ-CD1 3.98Å; F61-I74 HydrophobicContact CZ-CG1 4.25Å; F61-I74 HydrophobicContact CZ-CG2 3.99Å; L72-I74 HydrophobicContact CD2-CD1 4.45Å; L72-I74 HydrophobicContact CG-CG1 4.36Å; I74-V77 HydrophobicContact CB-CG2 4.05Å; I74-V77 HydrophobicContact CG2-CG2 3.94Å; I74-Y85 HydrophobicContact CD1-CE1 3.87Å; I74-Y85 HydrophobicContact CD1-CE2 4.32Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.35Å
75	S	98.4	Very high	96.8	Very high	53 Å²	53	49 Å²	49	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	-83.9	140.5	178.2	57.4	0	0	0	0	111.6	R60	R60-S75 WeakPolarHBondContact CA-OG 3.36Å; R60-S75 WeakPolarHBondContact CB-O 3.32Å; R60-S75 WeakPolarHBondContact CD-O 3.22Å; R60-S75 PolarHBondContact O-N 2.83Å; R60-S75 PolarHBondContact O-OG 3.33Å
76	G	98	Very high	96.9	Very high	31 Å²	31	50.5 Å²	50.5	32%	0.32	32%	0.316	S	S	.	.	S	Bend	trans	59.5	53.5	179	0	0	0	0	0	112.6	Q16 E78	Q16-G76 PolarHBondContact O-N 3.03Å; G76-E78 PolarHBondContact O-N 2.84Å
77	V	97.9	Very high	97	Very high	21 Å²	21	45.9 Å²	45.9	13%	0.127	28%	0.283	C	S	.	.			trans	-51.6	133.4	-176.6	168	0	0	0	0	111.6	V12 P14 G15 Q16 A18 I74 D81	V12-V77 HydrophobicContact CG2-CB 4.08Å; V12-V77 HydrophobicContact CG2-CG1 4.06Å; V12-V77 HydrophobicContact CG2-CG2 3.84Å; P14-V77 CarbonylContact C-O 3.56Å; P14-V77 WeakPolarHBondContact CA-O 3.31Å; G15-V77 PolarHBondContact N-O 2.87Å; Q16-V77 WeakPolarHBondContact O-CG2 3.32Å; Q16-V77 PolarHBondContact O-N 2.77Å; A18-V77 HydrophobicContact CB-CG2 3.77Å; I74-V77 HydrophobicContact CB-CG2 4.05Å; I74-V77 HydrophobicContact CG2-CG2 3.94Å; V77-D81 HydrophobicContact CG1-CB 4.26Å
78	E	97.7	Very high	97.1	Very high	102 Å²	102	43.4 Å²	43.4	48%	0.477	26%	0.258	S	S	.	.			trans	-108	160.6	176.8	-65.6	171.1	175.3	0	0	110.6	R60 G76 G80 D81	R60-E78 IonicContact CZ-OE1 2.87Å; R60-E78 IonicContact CZ-OE2 2.73Å; R60-E78 IonicContact NH1-OE1 3.26Å; R60-E78 PolarHBondContact NH1-OE1 2.93Å; R60-E78 IonicContact NH1-OE2 3.34Å; R60-E78 PolarHBondContact NH1-OE2 3.15Å; R60-E78 IonicContact NH2-OE2 2.9Å; R60-E78 PolarHBondContact NH2-OE2 3.16Å; G76-E78 PolarHBondContact O-N 2.84Å; E78-G80 PolarHBondContact O-N 3.35Å; E78-G80 VanDerWaalsContact O-N 3.11Å; E78-D81 PolarHBondContact N-OD2 3.24Å; E78-D81 WeakPolarHBondContact O-CB 3.14Å; E78-D81 PolarHBondContact O-N 3.15Å
79	A	94.9	Very high	96.9	Very high	86 Å²	86	40.2 Å²	40.2	71%	0.711	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-57.3	-28.6	176	0	0	0	0	0	112.9	D81 E82	A79-D81 PolarHBondContact O-N 3.37Å; A79-E82 PolarHBondContact O-N 3.49Å
80	G	94.6	Very high	96.3	Very high	38 Å²	38	39.7 Å²	39.7	39%	0.392	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-72.8	-6	176.4	0	0	0	0	0	114.9	K38 E78	K38-G80 WeakPolarHBondContact CE-O 3.33Å; K38-G80 PolarHBondContact NZ-O 2.82Å; E78-G80 PolarHBondContact O-N 3.35Å; E78-G80 VanDerWaalsContact O-N 3.11Å
81	D	97.1	Very high	95.2	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-92.4	-3.9	177.8	-59.9	-34.9	0	0	0	112.5	R60 F61 V77 E78 A79 A83 Y85	R60-D81 IonicContact CZ-OD1 2.85Å; R60-D81 IonicContact CZ-OD2 3.07Å; R60-D81 IonicContact NE-OD1 3.39Å; R60-D81 PolarHBondContact NE-OD1 2.9Å; R60-D81 IonicContact NE-OD2 3.96Å; R60-D81 PolarHBondContact NE-OD2 3.31Å; R60-D81 IonicContact NH2-OD1 3.46Å; R60-D81 PolarHBondContact NH2-OD1 2.8Å; R60-D81 IonicContact NH2-OD2 3.5Å; R60-D81 PolarHBondContact NH2-OD2 3.45Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.43Å; V77-D81 HydrophobicContact CG1-CB 4.26Å; E78-D81 PolarHBondContact N-OD2 3.24Å; E78-D81 WeakPolarHBondContact O-CB 3.14Å; E78-D81 PolarHBondContact O-N 3.15Å; A79-D81 PolarHBondContact O-N 3.37Å; D81-A83 PolarHBondContact O-N 3.12Å; D81-A83 VanDerWaalsContact O-N 3.17Å; D81-Y85 WeakPolarHBondContact O-CE2 3.33Å; D81-Y85 PolarHBondContact O-OH 2.81Å
82	E	97.5	Very high	93.3	Very high	168 Å²	168	45.1 Å²	45.1	79%	0.785	29%	0.288	S	S	*	.			trans	-66.8	112	171.8	-171.8	171.4	-177.6	0	0	110	A79	A79-E82 PolarHBondContact O-N 3.49Å
83	A	97.7	Very high	91.2	Very high	25 Å²	25	51.1 Å²	51.1	21%	0.207	33%	0.33	C	S	.	.	S	Bend	trans	-168	165	-171.9	0	0	0	0	0	110	Q36 Q37 K38 D81 Y85	Q36-A83 HydrophobicContact CG-CB 3.46Å; Q36-A83 VanDerWaalsContact CG-CB 3.46Å; Q37-A83 WeakPolarHBondContact O-CB 3.44Å; K38-A83 HydrophobicContact CG-CB 4.12Å; D81-A83 PolarHBondContact O-N 3.12Å; D81-A83 VanDerWaalsContact O-N 3.17Å; A83-Y85 HydrophobicContact CB-CE2 3.95Å; A83-Y85 VanDerWaalsContact O-CD2 3.3Å; A83-Y85 WeakPolarHBondContact O-CD2 3.29Å; A83-Y85 WeakPolarHBondContact O-CE2 3.45Å
84	D	98.3	Very high	89.4	Confident	92 Å²	92	51.2 Å²	51.2	49%	0.492	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139	162.8	-64.4	-50.9	0	0	0	109.3	Q37 Y86	Q37-D84 HydrophobicContact CB-CB 4.44Å; Q37-D84 PolarHBondContact N-O 2.82Å; Q37-D84 PolarHBondContact O-N 3.34Å; D84-Y86 HydrophobicContact CB-CE2 3.65Å; D84-Y86 WeakPolarHBondContact CB-OH 3.03Å
85	Y	98.3	Very high	87.4	Confident	27 Å²	27	54.6 Å²	54.6	11%	0.106	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.6	179.1	-69.6	-89.7	0	0	0	110.3	Q6 I20 Y35 Q36 F61 L72 I74 D81 A83	Q6-Y85 PolarHBondContact NE2-O 2.94Å; I20-Y85 HydrophobicContact CD1-CD1 4.32Å; I20-Y85 HydrophobicContact CD1-CD2 3.56Å; I20-Y85 HydrophobicContact CD1-CE2 4.2Å; I20-Y85 HydrophobicContact CD1-CG 3.62Å; Y35-Y85 CarbonylContact O-C 3.59Å; Y35-Y85 VanDerWaalsContact O-CA 3.29Å; Y35-Y85 WeakPolarHBondContact O-CA 3Å; Q36-Y85 HydrophobicContact CB-CD1 4.16Å; Q36-Y85 HydrophobicContact CB-CE1 3.81Å; Q36-Y85 HydrophobicContact CG-CD1 4.38Å; Q36-Y85 HydrophobicContact CG-CE1 3.74Å; Q36-Y85 PolarHBondContact NE2-OH 2.8Å; F61-Y85 HydrophobicContact CE1-CE1 4.03Å; L72-Y85 HydrophobicContact CD2-CD1 3.5Å; L72-Y85 HydrophobicContact CD2-CE1 3.93Å; L72-Y85 HydrophobicContact CD2-CG 4.26Å; I74-Y85 HydrophobicContact CD1-CE1 3.87Å; I74-Y85 HydrophobicContact CD1-CE2 4.32Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.35Å; D81-Y85 WeakPolarHBondContact O-CE2 3.33Å; D81-Y85 PolarHBondContact O-OH 2.81Å; A83-Y85 HydrophobicContact CB-CE2 3.95Å; A83-Y85 VanDerWaalsContact O-CD2 3.3Å; A83-Y85 WeakPolarHBondContact O-CD2 3.29Å; A83-Y85 WeakPolarHBondContact O-CE2 3.45Å
86	Y	97.6	Very high	85.8	Confident	72 Å²	72	53.3 Å²	53.3	28%	0.282	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	-175.4	-59	-75.9	0	0	0	110.9	W34 Y35 Q37 D84 Q98	W34-Y86 WeakPolarHBondContact CA-O 3.45Å; Y35-Y86 PolarHBondContact N-O 2.94Å; Y35-Y86 PolarHBondContact O-N 2.96Å; Q37-Y86 HydrophobicContact CB-CD2 4.25Å; Q37-Y86 HydrophobicContact CB-CE2 3.74Å; D84-Y86 HydrophobicContact CB-CE2 3.65Å; D84-Y86 WeakPolarHBondContact CB-OH 3.03Å; Y86-Q98 WeakPolarHBondContact CB-O 3.31Å; Y86-Q98 VanDerWaalsContact CD1-O 3.28Å; Y86-Q98 WeakPolarHBondContact CD1-O 3.31Å
87	C	96.1	Very high	84.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136	174.7	178	0	0	0	0	109.5	Q6 C22 Y33 W34 Q98	Q6-C87 HydrophobicContact CG-CB 4.26Å; C22-C87 HydrophobicContact CB-CB 3.4Å; C22-C87 VanDerWaalsContact CB-CB 3.4Å; C22-C87 WeakPolarHBondContact CB-SG 3.31Å; C22-C87 WeakPolarHBondContact SG-CB 3.38Å; C22-C87 CovalentContact SG-SG 2.03Å; C22-C87 PolarHBondContact SG-SG 3.41Å; Y33-C87 WeakPolarHBondContact O-CA 3.3Å; W34-C87 HydrophobicContact CE3-CB 4.17Å; W34-C87 HydrophobicContact CH2-CB 4.09Å; W34-C87 HydrophobicContact CZ2-CB 4.44Å; W34-C87 HydrophobicContact CZ3-CB 3.94Å; C87-Q98 PolarHBondContact O-N 2.75Å; C87-Q98 VanDerWaalsContact O-N 3.13Å
88	A	93.6	Very high	82.3	Confident	3 Å²	3	62.7 Å²	62.7	3%	0.025	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.8	170.3	0	0	0	0	0	110.3	A32 Y33 Y35 S96 W97	A32-A88 CarbonylContact C-O 3.57Å; A32-A88 WeakPolarHBondContact CA-O 3.32Å; Y33-A88 PolarHBondContact N-O 3.42Å; Y33-A88 PolarHBondContact O-N 3Å; Y35-A88 HydrophobicContact CE2-CB 3.95Å; A88-S96 WeakPolarHBondContact CA-O 3.3Å; A88-W97 HydrophobicContact CB-CD2 3.85Å; A88-W97 HydrophobicContact CB-CE3 3.32Å; A88-W97 HydrophobicContact CB-CH2 4.29Å; A88-W97 HydrophobicContact CB-CZ3 3.6Å
89	T	90.5	Very high	81.6	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.5	176.4	-175.3	0	0	0	0	110.5	L4 A30 Y31 Y91 S95 S96	L4-T89 HydrophobicContact CD1-CG2 4Å; L4-T89 HydrophobicContact CD2-CG2 4.1Å; L4-T89 HydrophobicContact CG-CG2 4.3Å; A30-T89 WeakPolarHBondContact CB-OG1 3.28Å; Y31-T89 VanDerWaalsContact O-CA 3.3Å; Y31-T89 WeakPolarHBondContact O-CA 3.41Å; Y31-T89 PolarHBondContact O-OG1 2.96Å; T89-Y91 HydrophobicContact CG2-CE2 3.78Å; T89-Y91 PolarHBondContact OG1-OH 2.84Å; T89-S95 CarbonylContact O-C 3.54Å; T89-S95 VanDerWaalsContact O-CA 3.3Å; T89-S95 WeakPolarHBondContact O-CA 2.98Å; T89-S96 PolarHBondContact N-O 3.08Å; T89-S96 PolarHBondContact O-N 2.93Å
90	S	83.3	Confident	80.8	Confident	39 Å²	39	59.4 Å²	59.4	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.2	171.8	177.5	0	0	0	0	110.8	Y31 G94	Y31-S90 PolarHBondContact N-O 3.13Å; Y31-S90 VanDerWaalsContact N-O 3.16Å; Y31-S90 PolarHBondContact O-N 2.96Å; S90-G94 WeakPolarHBondContact CA-O 3.42Å
91	Y	73.4	Confident	80.1	Confident	40 Å²	40	60.6 Å²	60.6	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	156.9	166	-52.2	-92.8	0	0	0	107.3	Y2 K26 L27 A30 T89 S93 G94	Y2-Y91 AromaticContact CD1-CE2 3.99Å; Y2-Y91 HydrophobicContact CD1-CE2 3.99Å; Y2-Y91 HydrophobicContact CE1-CD2 4.41Å; Y2-Y91 HydrophobicContact CE1-CE2 4.16Å; K26-Y91 HydrophobicContact CB-CE1 3.87Å; K26-Y91 WeakPolarHBondContact CB-OH 3.38Å; K26-Y91 VanDerWaalsContact O-CE1 3.3Å; K26-Y91 WeakPolarHBondContact O-CE1 3.09Å; K26-Y91 PolarHBondContact O-OH 3.21Å; L27-Y91 PolarHBondContact N-OH 3.42Å; A30-Y91 HydrophobicContact CB-CD1 3.68Å; A30-Y91 HydrophobicContact CB-CD2 4.47Å; A30-Y91 HydrophobicContact CB-CE1 3.18Å; A30-Y91 HydrophobicContact CB-CE2 4.02Å; A30-Y91 HydrophobicContact CB-CG 4.29Å; A30-Y91 WeakPolarHBondContact CB-OH 3.46Å; T89-Y91 HydrophobicContact CG2-CE2 3.78Å; T89-Y91 PolarHBondContact OG1-OH 2.84Å; Y91-S93 PolarHBondContact O-N 3.2Å; Y91-G94 PolarHBondContact N-O 2.99Å; Y91-G94 PolarHBondContact O-N 3.03Å; Y91-G94 VanDerWaalsContact O-O 3.12Å
92	G	57.8	Low	79.1	Confident	99 Å²	99	63.6 Å²	63.6	100%	1.021	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-7.1	178.5	0	0	0	0	0	115.8
93	S	55.5	Low	77.9	Confident	125 Å²	125	57.1 Å²	57.1	87%	0.874	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	8.7	176.6	56.1	0	0	0	0	115.8	Y91	Y91-S93 PolarHBondContact O-N 3.2Å
94	G	60.1	Low	76.6	Confident	39 Å²	39	59.2 Å²	59.2	40%	0.402	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	161.7	177.2	0	0	0	0	0	115.8	S90 Y91	S90-G94 WeakPolarHBondContact CA-O 3.42Å; Y91-G94 PolarHBondContact N-O 2.99Å; Y91-G94 PolarHBondContact O-N 3.03Å; Y91-G94 VanDerWaalsContact O-O 3.12Å
95	S	58	Low	75.1	Confident	75 Å²	75	56.9 Å²	56.9	52%	0.524	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.2	178.8	56.9	0	0	0	0	112	T89	T89-S95 CarbonylContact O-C 3.54Å; T89-S95 VanDerWaalsContact O-CA 3.3Å; T89-S95 WeakPolarHBondContact O-CA 2.98Å
96	S	64	Low	73.3	Confident	26 Å²	26	59.2 Å²	59.2	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	171	-171.8	0	0	0	0	109.7	Y2 A88 T89	Y2-S96 PolarHBondContact O-OG 3.11Å; A88-S96 WeakPolarHBondContact CA-O 3.3Å; T89-S96 PolarHBondContact N-O 3.08Å; T89-S96 PolarHBondContact O-N 2.93Å
97	W	65.3	Low	71.3	Confident	145 Å²	145	58.1 Å²	58.1	55%	0.549	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	-172	-58.9	90.2	0	0	0	109.7	Y35 A88	Y35-W97 AromaticContact CD2-CZ3 3.95Å; Y35-W97 HydrophobicContact CD2-CZ3 3.95Å; Y35-W97 HydrophobicContact CE1-CH2 4.45Å; Y35-W97 HydrophobicContact CE1-CZ3 4.22Å; Y35-W97 HydrophobicContact CE2-CE3 4.26Å; Y35-W97 AromaticContact CE2-CH2 3.96Å; Y35-W97 HydrophobicContact CE2-CH2 3.96Å; Y35-W97 AromaticContact CE2-CZ3 3.32Å; Y35-W97 HydrophobicContact CE2-CZ3 3.32Å; Y35-W97 AromaticContact CZ-CH2 3.68Å; Y35-W97 AromaticContact CZ-CZ3 3.46Å; Y35-W97 VanDerWaalsContact CZ-CZ3 3.46Å; Y35-W97 WeakPolarHBondContact OH-CH2 2.83Å; A88-W97 HydrophobicContact CB-CD2 3.85Å; A88-W97 HydrophobicContact CB-CE3 3.32Å; A88-W97 HydrophobicContact CB-CH2 4.29Å; A88-W97 HydrophobicContact CB-CZ3 3.6Å
98	Q	57.7	Low	69	Low	104 Å²	104	63.4 Å²	63.4	49%	0.486	41%	0.41	S	S	.	.			trans	-136.5	0	171.8	-163.3	62.2	78.5	0	0	112.6	L4 Y86 C87	L4-Q98 HydrophobicContact CB-CB 3.82Å; L4-Q98 HydrophobicContact CB-CG 4.32Å; L4-Q98 HydrophobicContact CD1-CB 4.36Å; L4-Q98 WeakPolarHBondContact O-CG 3.32Å; L4-Q98 PolarHBondContact O-OE1 3.09Å; Y86-Q98 WeakPolarHBondContact CB-O 3.31Å; Y86-Q98 VanDerWaalsContact CD1-O 3.28Å; Y86-Q98 WeakPolarHBondContact CD1-O 3.31Å; C87-Q98 PolarHBondContact O-N 2.75Å; C87-Q98 VanDerWaalsContact O-N 3.13Å

Retrieved 98 of 98 residues in 564.6 ms (Link to these results)

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