A0A096NR99_PAPAN Loading...

Immunoglobulin lambda variable 3-9

AlphaFold DB , UniProt , Accession A0A096NR99, Species PAPAN (Papio anubis, Olive baboon), Gene IGLV3-9, Length 101 aa.

						>A0A096NR99_PAPAN|A0A096NR99|IGLV3-9
SYELTQPLSVSVALGQMARITCGGNNIGRKNVYWYQQKPVQAPVPVIYEDSKRPSGIPKRFSGSNSGNTATLTIDGAQAGDEADYYCQVWDSSTAHSDTGR
					

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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	56.1	Low	89.5	Confident	145 Å²	145	99.3 Å²	99.3	100%	1.014	58%	0.578	S	S	*	*				0	137.9	0	-162.6	0	0	0	0	108.5	E3	S1-E3 WeakPolarHBondContact CB-OE1 3.49Å; S1-E3 PolarHBondContact OG-OE1 3.38Å
2	Y	71.3	Confident	90.2	Very high	79 Å²	79	96.2 Å²	96.2	31%	0.31	56%	0.561	S	S	.	*			trans	-96.7	100.3	172.1	-164.9	-91.3	0	0	0	107.2	L4 N25 I27 K30 V89	Y2-L4 HydrophobicContact CD1-CD2 4.23Å; Y2-L4 HydrophobicContact CD1-CG 4.47Å; Y2-L4 HydrophobicContact CE1-CD2 3.7Å; Y2-L4 HydrophobicContact CE1-CG 4.39Å; Y2-N25 WeakPolarHBondContact CE2-O 3.27Å; Y2-N25 VanDerWaalsContact CZ-O 3.22Å; Y2-N25 PolarHBondContact OH-O 3.3Å; Y2-I27 WeakPolarHBondContact OH-CA 3.44Å; Y2-I27 PolarHBondContact OH-N 3.11Å; Y2-K30 HydrophobicContact CE1-CD 4.25Å; Y2-K30 HydrophobicContact CE2-CD 4.3Å; Y2-K30 VanDerWaalsContact CE2-CE 3.41Å; Y2-V89 HydrophobicContact CD1-CG2 3.72Å; Y2-V89 HydrophobicContact CE1-CB 4.37Å; Y2-V89 HydrophobicContact CE1-CG1 4.15Å; Y2-V89 HydrophobicContact CE1-CG2 3.57Å
3	E	86.3	Confident	90.8	Very high	129 Å²	129	93.7 Å²	93.7	60%	0.603	56%	0.559	S	S	*	*			trans	-93.4	133	-176.2	-62.7	-60.4	148	0	0	110.2	S1	S1-E3 WeakPolarHBondContact CB-OE1 3.49Å; S1-E3 PolarHBondContact OG-OE1 3.38Å
4	L	93.3	Very high	91.3	Very high	52 Å²	52	95.9 Å²	95.9	27%	0.272	57%	0.565	S	S	.	*			trans	-107.1	143	171.6	-66.7	179.9	0	0	0	109.6	Y2 G23 I27 V89	Y2-L4 HydrophobicContact CD1-CD2 4.23Å; Y2-L4 HydrophobicContact CD1-CG 4.47Å; Y2-L4 HydrophobicContact CE1-CD2 3.7Å; Y2-L4 HydrophobicContact CE1-CG 4.39Å; L4-G23 CarbonylContact C-O 3.56Å; L4-G23 VanDerWaalsContact CA-O 3.3Å; L4-G23 WeakPolarHBondContact CA-O 3.03Å; L4-I27 HydrophobicContact CD2-CD1 3.82Å; L4-V89 HydrophobicContact CD1-CG1 4.07Å; L4-V89 HydrophobicContact CD1-CG2 4.2Å; L4-V89 HydrophobicContact CD2-CG1 3.99Å
5	T	96.9	Very high	91.7	Very high	97 Å²	97	92.8 Å²	92.8	60%	0.595	56%	0.561	S	S	*	*	B	Isolated β-bridge	trans	-123.5	133.7	176.8	56.2	0	0	0	0	110.7	C22 G23	T5-C22 CarbonylContact O-C 3.56Å; T5-C22 WeakPolarHBondContact O-CA 3.19Å; T5-G23 PolarHBondContact N-O 2.91Å; T5-G23 PolarHBondContact O-N 3.38Å
6	Q	97.8	Very high	92.1	Very high	61 Å²	61	94.6 Å²	94.6	29%	0.285	56%	0.562	S	S	.	*			trans	-128.3	151.9	173.6	-69	-173.7	-115.3	0	0	109.6	T21 C22 Y85 C87	Q6-T21 WeakPolarHBondContact CG-O 3.28Å; Q6-C22 HydrophobicContact CG-CB 4.29Å; Q6-Y85 PolarHBondContact NE2-O 3.04Å; Q6-C87 VanDerWaalsContact CD-SG 3.58Å; Q6-C87 PolarHBondContact OE1-SG 2.85Å
7	P	97.4	Very high	92.5	Very high	59 Å²	59	95.3 Å²	95.3	38%	0.383	56%	0.56	S	S	.	*			trans	-56.1	141.6	166.2	-20.7	31.9	0	0	0	110.6	S9 V10 T21	P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 2.78Å; P7-V10 HydrophobicContact CB-CG2 4.2Å; P7-V10 HydrophobicContact CG-CG2 4.48Å; P7-T21 WeakPolarHBondContact CD-O 3.44Å
8	L	95.6	Very high	92.8	Very high	186 Å²	186	90.4 Å²	90.4	97%	0.974	53%	0.532	S	S	*	.	S	Bend	trans	-64.1	-33.8	177.7	-69.2	174.5	0	0	0	112.4
9	S	96.6	Very high	93.1	Very high	96 Å²	96	92.9 Å²	92.9	67%	0.671	53%	0.532	S	S	*	.			trans	-156.3	156.3	175	62.7	0	0	0	0	110.7	P7	P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 2.78Å
10	V	96.8	Very high	93.4	Very high	70 Å²	70	89.1 Å²	89.1	42%	0.424	51%	0.509	S	S	.	.			trans	-133.5	124.3	171.3	178.7	0	0	0	0	107.1	P7 I20	P7-V10 HydrophobicContact CB-CG2 4.2Å; P7-V10 HydrophobicContact CG-CG2 4.48Å; V10-I20 HydrophobicContact CG2-CG1 4.39Å
11	S	96.9	Very high	93.6	Very high	118 Å²	118	87.4 Å²	87.4	83%	0.825	50%	0.5	S	S	*	.			trans	-112.1	132.8	177.6	-60	0	0	0	0	110
12	V	97	Very high	95.6	Very high	62 Å²	62	80.5 Å²	80.5	38%	0.376	45%	0.452	S	S	.	.			trans	-145.3	147.9	-176.8	65.7	0	0	0	0	109.8	Q16 A18 A77	V12-Q16 HydrophobicContact CG2-CB 3.54Å; V12-A18 HydrophobicContact CG1-CB 3.95Å; V12-A77 HydrophobicContact CG1-CB 3.87Å
13	A	98	Very high	96.8	Very high	64 Å²	64	77.3 Å²	77.3	53%	0.529	44%	0.444	S	S	.	.			trans	-74.4	152.8	174.4	0	0	0	0	0	111.3	G15 Q16	A13-G15 PolarHBondContact O-N 3.22Å; A13-Q16 HydrophobicContact CB-CG 4Å; A13-Q16 WeakPolarHBondContact O-CB 3.42Å; A13-Q16 PolarHBondContact O-N 2.73Å; A13-Q16 VanDerWaalsContact O-N 3.09Å
14	L	97.9	Very high	97.2	Very high	125 Å²	125	71.7 Å²	71.7	65%	0.654	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	138.1	174.2	-64.6	178.8	0	0	0	111	Q16 A77 A79	L14-Q16 PolarHBondContact O-N 3.33Å; L14-A77 WeakPolarHBondContact CA-O 3.46Å; L14-A79 HydrophobicContact CD2-CB 4.28Å; L14-A79 VanDerWaalsContact CD2-N 3.33Å
15	G	97.9	Very high	97.1	Very high	49 Å²	49	74.2 Å²	74.2	51%	0.505	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-4.8	-177.7	0	0	0	0	0	115	A13 A77	A13-G15 PolarHBondContact O-N 3.22Å; G15-A77 PolarHBondContact N-O 3.04Å
16	Q	98.4	Very high	96.7	Very high	121 Å²	121	74.1 Å²	74.1	57%	0.565	43%	0.43	S	S	*	.	S	Bend	trans	-90.4	166.1	173.4	-61.1	-62.4	-69.5	0	0	111.7	V12 A13 L14 G76 A77	V12-Q16 HydrophobicContact CG2-CB 3.54Å; A13-Q16 HydrophobicContact CB-CG 4Å; A13-Q16 WeakPolarHBondContact O-CB 3.42Å; A13-Q16 PolarHBondContact O-N 2.73Å; A13-Q16 VanDerWaalsContact O-N 3.09Å; L14-Q16 PolarHBondContact O-N 3.33Å; Q16-G76 PolarHBondContact O-N 2.96Å; Q16-A77 WeakPolarHBondContact O-CB 3.46Å; Q16-A77 PolarHBondContact O-N 2.96Å
17	M	98.4	Very high	96.5	Very high	107 Å²	107	71.2 Å²	71.2	53%	0.527	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-81.9	123.7	179.1	-177.9	-170.6	-72.7	0	0	110.7	R19 T73 I74 D75	M17-R19 HydrophobicContact CG-CG 4.4Å; M17-R19 HydrophobicContact SD-CG 4.3Å; M17-T73 HydrophobicContact CE-CG2 4.45Å; M17-T73 HydrophobicContact CG-CG2 3.69Å; M17-T73 HydrophobicContact SD-CG2 3.9Å; M17-I74 WeakPolarHBondContact CA-O 3.49Å; M17-D75 WeakPolarHBondContact CE-OD1 3.22Å
18	A	98.2	Very high	96.2	Very high	8 Å²	8	70 Å²	70	7%	0.066	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.3	169.6	0	0	0	0	0	110.3	V12 T73 I74	V12-A18 HydrophobicContact CG1-CB 3.95Å; A18-T73 WeakPolarHBondContact O-CA 3.37Å; A18-I74 HydrophobicContact CB-CB 4.05Å; A18-I74 HydrophobicContact CB-CD1 4.46Å; A18-I74 HydrophobicContact CB-CG1 4.42Å; A18-I74 PolarHBondContact N-O 3.21Å; A18-I74 PolarHBondContact O-N 3.03Å
19	R	98.2	Very high	96	Very high	138 Å²	138	71.8 Å²	71.8	52%	0.521	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.6	172.3	-65.8	178.4	69.8	94.7	-0.3	109.6	M17 T71 L72	M17-R19 HydrophobicContact CG-CG 4.4Å; M17-R19 HydrophobicContact SD-CG 4.3Å; R19-T71 HydrophobicContact CB-CG2 4.28Å; R19-L72 WeakPolarHBondContact CA-O 3.33Å
20	I	98.6	Very high	95.7	Very high	16 Å²	16	68.5 Å²	68.5	8%	0.082	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	178.4	-53.7	174.6	0	0	0	107.1	V10 W34 T71 L72 Y85	V10-I20 HydrophobicContact CG2-CG1 4.39Å; I20-W34 HydrophobicContact CB-CH2 4.41Å; I20-W34 HydrophobicContact CB-CZ3 4.3Å; I20-W34 HydrophobicContact CG2-CH2 4.03Å; I20-W34 HydrophobicContact CG2-CZ3 3.74Å; I20-W34 WeakPolarHBondContact O-CH2 3.37Å; I20-T71 CarbonylContact O-C 3.58Å; I20-T71 WeakPolarHBondContact O-CA 3.35Å; I20-L72 HydrophobicContact CB-CB 4.36Å; I20-L72 HydrophobicContact CD1-CD2 4.36Å; I20-L72 PolarHBondContact N-O 3.07Å; I20-L72 PolarHBondContact O-N 2.88Å; I20-Y85 HydrophobicContact CD1-CD1 4.22Å; I20-Y85 HydrophobicContact CD1-CD2 3.51Å; I20-Y85 HydrophobicContact CD1-CE2 4.12Å; I20-Y85 HydrophobicContact CD1-CG 3.55Å
21	T	98.4	Very high	95.6	Very high	53 Å²	53	68.3 Å²	68.3	33%	0.325	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.2	-176.3	54.2	0	0	0	0	111.7	Q6 P7 T69 A70	Q6-T21 WeakPolarHBondContact CG-O 3.28Å; P7-T21 WeakPolarHBondContact CD-O 3.44Å; T21-T69 HydrophobicContact CG2-CG2 4.23Å; T21-A70 CarbonylContact C-O 3.49Å; T21-A70 WeakPolarHBondContact CA-O 3.01Å
22	C	97.8	Very high	95.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.8	172.8	177.8	0	0	0	0	108.2	T5 Q6 W34 T69 A70 C87	T5-C22 CarbonylContact O-C 3.56Å; T5-C22 WeakPolarHBondContact O-CA 3.19Å; Q6-C22 HydrophobicContact CG-CB 4.29Å; C22-W34 HydrophobicContact CB-CH2 3.61Å; C22-W34 HydrophobicContact CB-CZ2 3.76Å; C22-T69 WeakPolarHBondContact O-CA 3.17Å; C22-A70 HydrophobicContact CB-CB 4.34Å; C22-A70 PolarHBondContact N-O 2.84Å; C22-A70 PolarHBondContact O-N 2.81Å; C22-C87 HydrophobicContact CB-CB 3.4Å; C22-C87 VanDerWaalsContact CB-CB 3.4Å; C22-C87 WeakPolarHBondContact CB-SG 3.5Å; C22-C87 WeakPolarHBondContact SG-CB 3.3Å; C22-C87 CovalentContact SG-SG 2.02Å; C22-C87 PolarHBondContact SG-SG 2.9Å
23	G	96.9	Very high	95.6	Very high	13 Å²	13	61.8 Å²	61.8	13%	0.134	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.1	178.5	0	0	0	0	0	111.2	L4 T5 N68	L4-G23 CarbonylContact C-O 3.56Å; L4-G23 VanDerWaalsContact CA-O 3.3Å; L4-G23 WeakPolarHBondContact CA-O 3.03Å; T5-G23 PolarHBondContact N-O 2.91Å; T5-G23 PolarHBondContact O-N 3.38Å; G23-N68 WeakPolarHBondContact CA-O 3.35Å
24	G	93.6	Very high	95.6	Very high	10 Å²	10	58.8 Å²	58.8	10%	0.103	30%	0.304	C	S	.	.			trans	-171	143.8	175.4	0	0	0	0	0	111.1	N26 I27 N68	G24-N26 PolarHBondContact O-N 2.88Å; G24-I27 PolarHBondContact O-N 3.49Å; G24-N68 PolarHBondContact N-O 2.92Å; G24-N68 CarbonylContact O-C 3.54Å; G24-N68 VanDerWaalsContact O-CA 3.3Å; G24-N68 WeakPolarHBondContact O-CA 3.27Å; G24-N68 WeakPolarHBondContact O-CB 3.5Å
25	N	91.3	Very high	95.7	Very high	106 Å²	106	55.3 Å²	55.3	57%	0.567	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	124.2	-179.4	-171.9	25.2	0	0	0	110.6	Y2 I27	Y2-N25 WeakPolarHBondContact CE2-O 3.27Å; Y2-N25 VanDerWaalsContact CZ-O 3.22Å; Y2-N25 PolarHBondContact OH-O 3.3Å; N25-I27 PolarHBondContact O-N 3.14Å
26	N	89.1	Confident	95.7	Very high	95 Å²	95	54.3 Å²	54.3	51%	0.508	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	29.4	-177.1	-63.5	-46.9	0	0	0	114.8	G24 G28 R29 N68	G24-N26 PolarHBondContact O-N 2.88Å; N26-G28 PolarHBondContact O-N 2.67Å; N26-R29 PolarHBondContact O-N 3.36Å; N26-R29 VanDerWaalsContact O-N 3.1Å; N26-N68 WeakPolarHBondContact CA-OD1 3.3Å; N26-N68 PolarHBondContact N-OD1 2.95Å
27	I	92.6	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60	-29.1	178.9	-167	170.5	0	0	0	113.1	Y2 L4 G24 N25 R29 K30 V32 N65 G67 N68 T69 A70 V89	Y2-I27 WeakPolarHBondContact OH-CA 3.44Å; Y2-I27 PolarHBondContact OH-N 3.11Å; L4-I27 HydrophobicContact CD2-CD1 3.82Å; G24-I27 PolarHBondContact O-N 3.49Å; N25-I27 PolarHBondContact O-N 3.14Å; I27-R29 PolarHBondContact O-N 3.45Å; I27-K30 PolarHBondContact O-N 3.5Å; I27-V32 HydrophobicContact CD1-CG2 3.68Å; I27-V32 HydrophobicContact CG1-CG2 3.55Å; I27-N65 PolarHBondContact O-ND2 2.88Å; I27-G67 PolarHBondContact N-O 2.85Å; I27-N68 WeakPolarHBondContact CG2-O 3.17Å; I27-T69 VanDerWaalsContact CG2-N 3.32Å; I27-A70 HydrophobicContact CD1-CB 4.18Å; I27-V89 HydrophobicContact CD1-CG1 3.6Å; I27-V89 HydrophobicContact CG1-CG1 3.53Å
28	G	92.3	Very high	95.6	Very high	32 Å²	32	49.2 Å²	49.2	33%	0.33	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-65.8	-4.4	175.7	0	0	0	0	0	115.1	N26 N65 G67	N26-G28 PolarHBondContact O-N 2.67Å; G28-N65 WeakPolarHBondContact CA-OD1 3.3Å; G28-N65 PolarHBondContact N-OD1 2.95Å; G28-G67 WeakPolarHBondContact CA-O 3.32Å; G28-G67 PolarHBondContact N-O 2.9Å
29	R	91.3	Very high	95.5	Very high	224 Å²	224	54 Å²	54	85%	0.845	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-99.8	-0.3	171.7	-61.7	-61.8	-171.3	179.7	0.8	113.1	N26 I27	N26-R29 PolarHBondContact O-N 3.36Å; N26-R29 VanDerWaalsContact O-N 3.1Å; I27-R29 PolarHBondContact O-N 3.45Å
30	K	91	Very high	95.4	Very high	27 Å²	27	55 Å²	55	12%	0.117	29%	0.29	C	S	.	.	S	Bend	trans	-118.2	160.2	-178.2	-56.9	-167.3	-174.7	-166	0	109.9	Y2 I27 N65 V89 D91	Y2-K30 HydrophobicContact CE1-CD 4.25Å; Y2-K30 HydrophobicContact CE2-CD 4.3Å; Y2-K30 VanDerWaalsContact CE2-CE 3.41Å; I27-K30 PolarHBondContact O-N 3.5Å; K30-N65 PolarHBondContact O-ND2 2.83Å; K30-V89 HydrophobicContact CB-CB 4.31Å; K30-V89 HydrophobicContact CD-CB 4Å; K30-V89 HydrophobicContact CD-CG2 4.13Å; K30-D91 HydrophobicContact CD-CB 4.46Å; K30-D91 WeakPolarHBondContact CE-OD2 3.3Å; K30-D91 IonicContact NZ-OD2 2.72Å; K30-D91 PolarHBondContact NZ-OD2 3.45Å
31	N	93.8	Very high	95.2	Very high	67 Å²	67	59.4 Å²	59.4	36%	0.358	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.9	170.4	-70.3	-21.9	0	0	0	109.4	Y33 V89 W90	N31-Y33 HydrophobicContact CB-CE2 3.9Å; N31-V89 WeakPolarHBondContact O-CA 3.27Å; N31-W90 PolarHBondContact O-N 3.44Å
32	V	96.3	Very high	95.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.3	175.8	179.1	0	0	0	0	110.8	I27 E49 D50 N65 A70 C87 Q88 V89	I27-V32 HydrophobicContact CD1-CG2 3.68Å; I27-V32 HydrophobicContact CG1-CG2 3.55Å; V32-E49 PolarHBondContact O-N 3.4Å; V32-D50 WeakPolarHBondContact CB-OD1 3.39Å; V32-D50 PolarHBondContact N-OD1 3.13Å; V32-D50 PolarHBondContact O-N 3.12Å; V32-N65 HydrophobicContact CG2-CB 4.48Å; V32-N65 VanDerWaalsContact CG2-ND2 3.35Å; V32-N65 WeakPolarHBondContact CG2-ND2 3.39Å; V32-A70 HydrophobicContact CB-CB 4.12Å; V32-A70 HydrophobicContact CG1-CB 3.8Å; V32-A70 HydrophobicContact CG2-CB 3.84Å; V32-C87 HydrophobicContact CG1-CB 4.39Å; V32-Q88 WeakPolarHBondContact CA-O 3.47Å; V32-V89 HydrophobicContact CG2-CG1 4.03Å
33	Y	97.8	Very high	95	Very high	42 Å²	42	63.5 Å²	63.5	17%	0.165	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.1	175.2	-66.1	-110	0	0	0	108.5	N31 I47 Y48 C87 Q88 W90	N31-Y33 HydrophobicContact CB-CE2 3.9Å; Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; Y33-Y48 VanDerWaalsContact CD1-CB 3.47Å; Y33-Y48 VanDerWaalsContact CE1-CB 3.48Å; Y33-C87 CarbonylContact O-C 3.56Å; Y33-C87 VanDerWaalsContact O-CA 3.3Å; Y33-C87 WeakPolarHBondContact O-CA 3.38Å; Y33-Q88 PolarHBondContact N-O 2.84Å; Y33-Q88 PolarHBondContact O-N 3.15Å; Y33-W90 HydrophobicContact CE2-CB 4.06Å
34	W	98.6	Very high	95.1	Very high	1 Å²	1	66 Å²	66	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.4	175.5	-70.5	95.8	0	0	0	110	I20 C22 P45 V46 I47 A70 L72 Y86 C87	I20-W34 HydrophobicContact CB-CH2 4.41Å; I20-W34 HydrophobicContact CB-CZ3 4.3Å; I20-W34 HydrophobicContact CG2-CH2 4.03Å; I20-W34 HydrophobicContact CG2-CZ3 3.74Å; I20-W34 WeakPolarHBondContact O-CH2 3.37Å; C22-W34 HydrophobicContact CB-CH2 3.61Å; C22-W34 HydrophobicContact CB-CZ2 3.76Å; W34-P45 WeakPolarHBondContact O-CA 3.4Å; W34-V46 HydrophobicContact CB-CG2 3.8Å; W34-V46 WeakPolarHBondContact O-CG2 3.49Å; W34-V46 PolarHBondContact O-N 2.95Å; W34-I47 HydrophobicContact CB-CB 4.12Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 2.81Å; W34-I47 PolarHBondContact O-N 3.33Å; W34-A70 HydrophobicContact CZ2-CB 4.36Å; W34-L72 HydrophobicContact CB-CD1 4.2Å; W34-L72 HydrophobicContact CB-CD2 4.27Å; W34-L72 HydrophobicContact CD2-CB 3.57Å; W34-L72 HydrophobicContact CD2-CD2 4.22Å; W34-L72 HydrophobicContact CD2-CG 4.34Å; W34-L72 HydrophobicContact CE3-CB 3.84Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CG-CB 3.98Å; W34-L72 HydrophobicContact CG-CD1 4.13Å; W34-L72 HydrophobicContact CG-CD2 4.34Å; W34-L72 HydrophobicContact CG-CG 4.39Å; W34-L72 HydrophobicContact CH2-CB 4.18Å; W34-L72 HydrophobicContact CZ2-CB 3.96Å; W34-L72 HydrophobicContact CZ3-CB 4.13Å; W34-Y86 WeakPolarHBondContact CA-O 3.43Å; W34-C87 HydrophobicContact CD2-CB 4.27Å; W34-C87 HydrophobicContact CE3-CB 4.03Å; W34-C87 HydrophobicContact CH2-CB 4.03Å; W34-C87 HydrophobicContact CZ2-CB 4.23Å; W34-C87 HydrophobicContact CZ3-CB 3.91Å
35	Y	98.5	Very high	95.3	Very high	53 Å²	53	68 Å²	68	21%	0.208	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.2	179.4	-57.9	-91.5	0	0	0	110.2	P43 V44 P45 Y85 Y86 Q88	Y35-P43 HydrophobicContact CD1-CB 4.46Å; Y35-V44 CarbonylContact C-O 3.53Å; Y35-V44 VanDerWaalsContact CA-O 3.27Å; Y35-V44 WeakPolarHBondContact CA-O 3.37Å; Y35-P45 HydrophobicContact CD1-CB 4.05Å; Y35-P45 HydrophobicContact CE1-CB 3.95Å; Y35-Y85 VanDerWaalsContact O-CA 3.29Å; Y35-Y85 WeakPolarHBondContact O-CA 3.22Å; Y35-Y86 PolarHBondContact N-O 2.62Å; Y35-Y86 PolarHBondContact O-N 3.41Å; Y35-Q88 HydrophobicContact CE2-CB 3.8Å; Y35-Q88 PolarHBondContact OH-OE1 2.83Å
36	Q	98.5	Very high	95.6	Very high	28 Å²	28	63.1 Å²	63.1	13%	0.131	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.5	168.1	-177.9	-175.1	65.8	0	0	108.4	V44 V46 A83 Y85	Q36-V44 PolarHBondContact N-O 2.94Å; Q36-V44 PolarHBondContact O-N 3.34Å; Q36-V46 HydrophobicContact CB-CG1 3.6Å; Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q36-Y85 HydrophobicContact CB-CD1 4.18Å; Q36-Y85 HydrophobicContact CB-CE1 3.83Å; Q36-Y85 HydrophobicContact CG-CD1 4.44Å; Q36-Y85 HydrophobicContact CG-CE1 3.82Å; Q36-Y85 PolarHBondContact NE2-OH 3.08Å
37	Q	98.4	Very high	96.1	Very high	56 Å²	56	58.6 Å²	58.6	26%	0.262	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.7	173.5	-171.9	173.2	15.4	0	0	110.1	Q41 P43 A83 D84 Y86	Q37-Q41 WeakPolarHBondContact CG-O 3.46Å; Q37-Q41 PolarHBondContact NE2-O 2.79Å; Q37-Q41 VanDerWaalsContact NE2-O 3.12Å; Q37-P43 HydrophobicContact CB-CB 4.46Å; Q37-P43 HydrophobicContact CB-CG 4.37Å; Q37-P43 HydrophobicContact CG-CG 4.24Å; Q37-A83 WeakPolarHBondContact O-CB 3.43Å; Q37-D84 HydrophobicContact CB-CB 4.4Å; Q37-D84 PolarHBondContact N-O 2.78Å; Q37-D84 PolarHBondContact O-N 2.87Å; Q37-Y86 HydrophobicContact CB-CD2 4.36Å; Q37-Y86 HydrophobicContact CB-CE2 3.83Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.26Å
38	K	97.1	Very high	96.3	Very high	65 Å²	65	62.4 Å²	62.4	28%	0.283	33%	0.333	S	S	.	.			trans	-91.4	159.5	172.3	-71.1	-177.5	177.5	-174.2	0	110.4	V40 Q41 G80 A83	K38-V40 PolarHBondContact O-N 2.63Å; K38-Q41 HydrophobicContact CB-CB 4.25Å; K38-Q41 HydrophobicContact CB-CG 4.26Å; K38-Q41 PolarHBondContact O-N 3.23Å; K38-G80 WeakPolarHBondContact CE-O 3.36Å; K38-G80 PolarHBondContact NZ-O 2.86Å; K38-A83 HydrophobicContact CG-CB 4.05Å
39	P	96.5	Very high	96.5	Very high	108 Å²	108	64 Å²	64	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	130.5	176.2	-28.2	35.2	0	0	0	111.8	Q41	P39-Q41 PolarHBondContact O-N 2.88Å; P39-Q41 VanDerWaalsContact O-N 3.13Å
40	V	94.3	Very high	96.8	Very high	160 Å²	160	55.2 Å²	55.2	97%	0.97	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	12.7	177.5	-157.4	0	0	0	0	113.9	K38	K38-V40 PolarHBondContact O-N 2.63Å
41	Q	95	Very high	97.1	Very high	107 Å²	107	57.6 Å²	57.6	50%	0.5	32%	0.321	S	S	.	.	S	Bend	trans	-110.9	152.6	176.5	-62.9	-178.3	30.1	0	0	111.1	Q37 K38 P39	Q37-Q41 WeakPolarHBondContact CG-O 3.46Å; Q37-Q41 PolarHBondContact NE2-O 2.79Å; Q37-Q41 VanDerWaalsContact NE2-O 3.12Å; K38-Q41 HydrophobicContact CB-CB 4.25Å; K38-Q41 HydrophobicContact CB-CG 4.26Å; K38-Q41 PolarHBondContact O-N 3.23Å; P39-Q41 PolarHBondContact O-N 2.88Å; P39-Q41 VanDerWaalsContact O-N 3.13Å
42	A	96	Very high	97.3	Very high	75 Å²	75	58.9 Å²	58.9	62%	0.62	32%	0.324	S	S	*	.			trans	-68.2	149.8	168.7	0	0	0	0	0	109.9	V44	A42-V44 PolarHBondContact O-N 2.91Å
43	P	97.4	Very high	97.4	Very high	65 Å²	65	63.1 Å²	63.1	42%	0.422	34%	0.34	S	S	.	.			trans	-57.4	132.5	172.1	-23.3	33.2	0	0	0	111.7	Y35 Q37	Y35-P43 HydrophobicContact CD1-CB 4.46Å; Q37-P43 HydrophobicContact CB-CB 4.46Å; Q37-P43 HydrophobicContact CB-CG 4.37Å; Q37-P43 HydrophobicContact CG-CG 4.24Å
44	V	97.6	Very high	97.4	Very high	66 Å²	66	62.7 Å²	62.7	40%	0.4	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	178.4	179.3	0	0	0	0	109.3	Y35 Q36 A42 V46	Y35-V44 CarbonylContact C-O 3.53Å; Y35-V44 VanDerWaalsContact CA-O 3.27Å; Y35-V44 WeakPolarHBondContact CA-O 3.37Å; Q36-V44 PolarHBondContact N-O 2.94Å; Q36-V44 PolarHBondContact O-N 3.34Å; A42-V44 PolarHBondContact O-N 2.91Å; V44-V46 PolarHBondContact O-N 3.09Å
45	P	97.9	Very high	97.3	Very high	52 Å²	52	68.9 Å²	68.9	34%	0.338	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	130	177.1	27.2	-33.8	0	0	0	111	W34 Y35 P54	W34-P45 WeakPolarHBondContact O-CA 3.4Å; Y35-P45 HydrophobicContact CD1-CB 4.05Å; Y35-P45 HydrophobicContact CE1-CB 3.95Å; P45-P54 HydrophobicContact CB-CG 4.41Å
46	V	98.5	Very high	97.2	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-31.1	175.3	-65.9	0	0	0	0	112.6	W34 Q36 V44 P54 I57 F61 L72	W34-V46 HydrophobicContact CB-CG2 3.8Å; W34-V46 WeakPolarHBondContact O-CG2 3.49Å; W34-V46 PolarHBondContact O-N 2.95Å; Q36-V46 HydrophobicContact CB-CG1 3.6Å; V44-V46 PolarHBondContact O-N 3.09Å; V46-P54 VanDerWaalsContact O-CD 3.27Å; V46-P54 WeakPolarHBondContact O-CD 3.33Å; V46-I57 HydrophobicContact CB-CG2 4.27Å; V46-I57 HydrophobicContact CG1-CD1 4.35Å; V46-I57 HydrophobicContact CG1-CG2 4.49Å; V46-F61 HydrophobicContact CB-CD1 4.26Å; V46-F61 HydrophobicContact CG2-CD1 4.44Å; V46-L72 HydrophobicContact CG2-CD1 4.24Å; V46-L72 HydrophobicContact CG2-CD2 4.18Å
47	I	98.7	Very high	97.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.3	170.7	-58.8	-67.6	0	0	0	108.5	Y33 W34 K52 R53 F61 L72	Y33-I47 CarbonylContact C-O 3.6Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; W34-I47 HydrophobicContact CB-CB 4.12Å; W34-I47 HydrophobicContact CG-CB 4.47Å; W34-I47 PolarHBondContact N-O 2.81Å; W34-I47 PolarHBondContact O-N 3.33Å; I47-K52 CarbonylContact C-O 3.51Å; I47-K52 VanDerWaalsContact CA-O 3.32Å; I47-K52 WeakPolarHBondContact CA-O 3.34Å; I47-R53 HydrophobicContact CD1-CB 3.99Å; I47-R53 HydrophobicContact CD1-CG 4.23Å; I47-F61 HydrophobicContact CD1-CB 4.42Å; I47-L72 HydrophobicContact CG1-CD1 3.6Å
48	Y	97.5	Very high	97.2	Very high	81 Å²	81	70 Å²	70	32%	0.318	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-130.4	157	173.9	71.6	-80.8	0	0	0	110.3	Y33 D50 S51 K52 P54	Y33-Y48 VanDerWaalsContact CD1-CB 3.47Å; Y33-Y48 VanDerWaalsContact CE1-CB 3.48Å; Y48-D50 VanDerWaalsContact C-N 3.29Å; Y48-D50 PolarHBondContact O-N 3Å; Y48-S51 PolarHBondContact O-N 3.34Å; Y48-K52 HydrophobicContact CD1-CB 3.72Å; Y48-K52 WeakPolarHBondContact CD1-O 3.43Å; Y48-K52 HydrophobicContact CD2-CB 3.89Å; Y48-K52 HydrophobicContact CD2-CD 4.05Å; Y48-K52 HydrophobicContact CE1-CB 3.38Å; Y48-K52 HydrophobicContact CE2-CB 3.57Å; Y48-K52 HydrophobicContact CE2-CD 3.36Å; Y48-K52 HydrophobicContact CE2-CG 4.09Å; Y48-K52 HydrophobicContact CG-CB 3.95Å; Y48-K52 PolarHBondContact N-O 3.35Å; Y48-K52 WeakPolarHBondContact O-CA 3.29Å; Y48-K52 VanDerWaalsContact O-CB 3.27Å; Y48-K52 WeakPolarHBondContact O-CB 3.41Å; Y48-K52 PolarHBondContact O-N 2.89Å; Y48-P54 HydrophobicContact CD1-CG 3.89Å; Y48-P54 HydrophobicContact CE1-CG 4.24Å
49	E	96.2	Very high	97.2	Very high	66 Å²	66	75.7 Å²	75.7	31%	0.308	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	55.5	-179.8	-66.1	178.1	-157.3	0	0	112.2	V32 S51 K52	V32-E49 PolarHBondContact O-N 3.4Å; E49-S51 PolarHBondContact O-N 2.83Å; E49-K52 HydrophobicContact CB-CD 4.06Å; E49-K52 HydrophobicContact CB-CG 4.32Å; E49-K52 WeakPolarHBondContact OE2-CE 3.41Å; E49-K52 IonicContact OE2-NZ 3.51Å; E49-K52 PolarHBondContact OE2-NZ 2.84Å
50	D	96.6	Very high	97.3	Very high	38 Å²	38	73 Å²	73	20%	0.203	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-38.2	177.2	-52.8	-48.9	0	0	0	116.6	V32 Y48 G63 S64 N65	V32-D50 WeakPolarHBondContact CB-OD1 3.39Å; V32-D50 PolarHBondContact N-OD1 3.13Å; V32-D50 PolarHBondContact O-N 3.12Å; Y48-D50 VanDerWaalsContact C-N 3.29Å; Y48-D50 PolarHBondContact O-N 3Å; D50-G63 CarbonylContact O-C 2.95Å; D50-G63 WeakPolarHBondContact O-CA 3.27Å; D50-S64 PolarHBondContact O-N 2.91Å; D50-N65 HydrophobicContact CB-CB 3.95Å; D50-N65 VanDerWaalsContact OD1-CB 3.3Å; D50-N65 WeakPolarHBondContact OD1-CB 3.39Å; D50-N65 PolarHBondContact OD1-ND2 3.27Å
51	S	97.5	Very high	97.5	Very high	78 Å²	78	65.5 Å²	65.5	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	-10.1	-170.4	61.9	0	0	0	0	114.7	Y48 E49	Y48-S51 PolarHBondContact O-N 3.34Å; E49-S51 PolarHBondContact O-N 2.83Å
52	K	98.1	Very high	97.7	Very high	94 Å²	94	62.5 Å²	62.5	41%	0.409	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-75.1	135.6	-179.9	-57.1	-177.2	178.9	174.5	0	109.4	I47 Y48 E49	I47-K52 CarbonylContact C-O 3.51Å; I47-K52 VanDerWaalsContact CA-O 3.32Å; I47-K52 WeakPolarHBondContact CA-O 3.34Å; Y48-K52 HydrophobicContact CD1-CB 3.72Å; Y48-K52 WeakPolarHBondContact CD1-O 3.43Å; Y48-K52 HydrophobicContact CD2-CB 3.89Å; Y48-K52 HydrophobicContact CD2-CD 4.05Å; Y48-K52 HydrophobicContact CE1-CB 3.38Å; Y48-K52 HydrophobicContact CE2-CB 3.57Å; Y48-K52 HydrophobicContact CE2-CD 3.36Å; Y48-K52 HydrophobicContact CE2-CG 4.09Å; Y48-K52 HydrophobicContact CG-CB 3.95Å; Y48-K52 PolarHBondContact N-O 3.35Å; Y48-K52 WeakPolarHBondContact O-CA 3.29Å; Y48-K52 VanDerWaalsContact O-CB 3.27Å; Y48-K52 WeakPolarHBondContact O-CB 3.41Å; Y48-K52 PolarHBondContact O-N 2.89Å; E49-K52 HydrophobicContact CB-CD 4.06Å; E49-K52 HydrophobicContact CB-CG 4.32Å; E49-K52 WeakPolarHBondContact OE2-CE 3.41Å; E49-K52 IonicContact OE2-NZ 3.51Å; E49-K52 PolarHBondContact OE2-NZ 2.84Å
53	R	98.1	Very high	97.8	Very high	89 Å²	89	59.5 Å²	59.5	34%	0.336	34%	0.34	S	S	.	.			trans	-111.2	127	-177.7	-176.4	169.7	58.9	-115.7	-12.1	109.8	I47 I57 P58 K59 F61	I47-R53 HydrophobicContact CD1-CB 3.99Å; I47-R53 HydrophobicContact CD1-CG 4.23Å; R53-I57 HydrophobicContact CG-CB 3.67Å; R53-I57 HydrophobicContact CG-CG2 3.78Å; R53-P58 VanDerWaalsContact CD-O 3.27Å; R53-P58 WeakPolarHBondContact CD-O 3.28Å; R53-K59 PolarHBondContact NH1-O 3.25Å; R53-F61 WeakPolarHBondContact CD-O 3.22Å; R53-F61 PolarHBondContact NH1-O 3.01Å
54	P	98.2	Very high	97.8	Very high	33 Å²	33	59 Å²	59	21%	0.214	34%	0.338	C	S	.	.			trans	-60.3	155.9	175.9	-23	34.6	0	0	0	112.4	P45 V46 Y48 I57	P45-P54 HydrophobicContact CB-CG 4.41Å; V46-P54 VanDerWaalsContact O-CD 3.27Å; V46-P54 WeakPolarHBondContact O-CD 3.33Å; Y48-P54 HydrophobicContact CD1-CG 3.89Å; Y48-P54 HydrophobicContact CE1-CG 4.24Å; P54-I57 HydrophobicContact CB-CG1 4.02Å; P54-I57 HydrophobicContact CG-CG1 4.27Å; P54-I57 PolarHBondContact O-N 2.8Å
55	S	97.4	Very high	97.8	Very high	131 Å²	131	57.3 Å²	57.3	92%	0.916	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	142.8	172.9	-169.4	0	0	0	0	110.6	I57	S55-I57 VanDerWaalsContact C-N 3.26Å; S55-I57 PolarHBondContact O-N 2.92Å
56	G	96.4	Very high	97.7	Very high	74 Å²	74	58.9 Å²	58.9	76%	0.763	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-14.1	-177	0	0	0	0	0	115
57	I	98.1	Very high	97.5	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.185	36%	0.364	C	S	.	.	S	Bend	trans	-80.6	130.3	173.8	-55.1	-58.6	0	0	0	110	V46 R53 P54 S55 F61	V46-I57 HydrophobicContact CB-CG2 4.27Å; V46-I57 HydrophobicContact CG1-CD1 4.35Å; V46-I57 HydrophobicContact CG1-CG2 4.49Å; R53-I57 HydrophobicContact CG-CB 3.67Å; R53-I57 HydrophobicContact CG-CG2 3.78Å; P54-I57 HydrophobicContact CB-CG1 4.02Å; P54-I57 HydrophobicContact CG-CG1 4.27Å; P54-I57 PolarHBondContact O-N 2.8Å; S55-I57 VanDerWaalsContact C-N 3.26Å; S55-I57 PolarHBondContact O-N 2.92Å; I57-F61 HydrophobicContact CG2-CB 4.07Å; I57-F61 HydrophobicContact CG2-CD2 4.04Å; I57-F61 HydrophobicContact CG2-CG 4.1Å
58	P	98	Very high	97.4	Very high	51 Å²	51	65 Å²	65	33%	0.331	38%	0.384	S	S	.	.			trans	-58.5	146.4	-176.6	-27.9	36.5	0	0	0	114.3	R53 R60 F61	R53-P58 VanDerWaalsContact CD-O 3.27Å; R53-P58 WeakPolarHBondContact CD-O 3.28Å; P58-R60 HydrophobicContact CB-CG 3.84Å; P58-R60 VanDerWaalsContact CB-NH1 3.28Å; P58-R60 PolarHBondContact O-N 2.81Å; P58-F61 HydrophobicContact CB-CD2 4.16Å; P58-F61 HydrophobicContact CB-CE2 4.41Å; P58-F61 HydrophobicContact CG-CD2 4.43Å; P58-F61 HydrophobicContact CG-CE2 4.33Å; P58-F61 PolarHBondContact O-N 3.44Å; P58-F61 VanDerWaalsContact O-N 3.11Å
59	K	97.8	Very high	97.4	Very high	183 Å²	183	64.1 Å²	64.1	80%	0.796	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.1	-179.3	-69.9	-172.7	178.6	179.8	0	114.8	R53 F61	R53-K59 PolarHBondContact NH1-O 3.25Å; K59-F61 PolarHBondContact O-N 2.92Å
60	R	98.3	Very high	97.4	Very high	51 Å²	51	61 Å²	61	19%	0.192	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.7	176.6	57.3	171.3	-170.3	-77.7	-3.2	114.5	P58 I74 D75 Q78 D81	P58-R60 HydrophobicContact CB-CG 3.84Å; P58-R60 VanDerWaalsContact CB-NH1 3.28Å; P58-R60 PolarHBondContact O-N 2.81Å; R60-I74 HydrophobicContact CG-CG2 4.39Å; R60-I74 WeakPolarHBondContact O-CA 3.44Å; R60-D75 HydrophobicContact CB-CB 4.24Å; R60-D75 WeakPolarHBondContact CB-O 3.43Å; R60-D75 PolarHBondContact O-N 2.82Å; R60-Q78 VanDerWaalsContact NH1-OE1 3.14Å; R60-D81 IonicContact CZ-OD1 2.67Å; R60-D81 IonicContact CZ-OD2 3.38Å; R60-D81 IonicContact NE-OD1 2.62Å; R60-D81 PolarHBondContact NE-OD1 2.85Å; R60-D81 IonicContact NE-OD2 3.49Å; R60-D81 PolarHBondContact NE-OD2 3.21Å; R60-D81 IonicContact NH2-OD1 3.49Å; R60-D81 PolarHBondContact NH2-OD1 3.48Å; R60-D81 IonicContact NH2-OD2 2.91Å; R60-D81 PolarHBondContact NH2-OD2 3.26Å
61	F	98.7	Very high	97.5	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.4	175.6	-71.4	-96.7	0	0	0	110	V46 I47 R53 I57 P58 K59 L72 T73 I74 D81 Y85	V46-F61 HydrophobicContact CB-CD1 4.26Å; V46-F61 HydrophobicContact CG2-CD1 4.44Å; I47-F61 HydrophobicContact CD1-CB 4.42Å; R53-F61 WeakPolarHBondContact CD-O 3.22Å; R53-F61 PolarHBondContact NH1-O 3.01Å; I57-F61 HydrophobicContact CG2-CB 4.07Å; I57-F61 HydrophobicContact CG2-CD2 4.04Å; I57-F61 HydrophobicContact CG2-CG 4.1Å; P58-F61 HydrophobicContact CB-CD2 4.16Å; P58-F61 HydrophobicContact CB-CE2 4.41Å; P58-F61 HydrophobicContact CG-CD2 4.43Å; P58-F61 HydrophobicContact CG-CE2 4.33Å; P58-F61 PolarHBondContact O-N 3.44Å; P58-F61 VanDerWaalsContact O-N 3.11Å; K59-F61 PolarHBondContact O-N 2.92Å; F61-L72 HydrophobicContact CD1-CD1 4.35Å; F61-T73 WeakPolarHBondContact CA-O 3.36Å; F61-I74 HydrophobicContact CD1-CD1 4.18Å; F61-I74 HydrophobicContact CD1-CG1 3.8Å; F61-I74 HydrophobicContact CE1-CB 4.5Å; F61-I74 HydrophobicContact CE1-CD1 3.49Å; F61-I74 VanDerWaalsContact CE1-CD1 3.49Å; F61-I74 HydrophobicContact CE1-CG1 3.61Å; F61-I74 HydrophobicContact CE1-CG2 4.16Å; F61-I74 HydrophobicContact CE2-CG2 4.29Å; F61-I74 HydrophobicContact CZ-CD1 4.09Å; F61-I74 HydrophobicContact CZ-CG1 4.32Å; F61-I74 HydrophobicContact CZ-CG2 4.02Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.39Å; F61-Y85 HydrophobicContact CE1-CE1 4.05Å
62	S	98.7	Very high	97.6	Very high	44 Å²	44	56 Å²	56	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.9	172	62.4	0	0	0	0	110.9	T73	S62-T73 PolarHBondContact N-O 3.18Å; S62-T73 PolarHBondContact O-N 3.34Å; S62-T73 WeakPolarHBondContact OG-CB 3.33Å
63	G	98.4	Very high	97.6	Very high	12 Å²	12	52.1 Å²	52.1	12%	0.124	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.9	175.4	0	0	0	0	0	112	D50 T71	D50-G63 CarbonylContact O-C 2.95Å; D50-G63 WeakPolarHBondContact O-CA 3.27Å; G63-T71 CarbonylContact C-O 3.57Å; G63-T71 WeakPolarHBondContact CA-O 3.24Å
64	S	98.1	Very high	97.7	Very high	54 Å²	54	48.1 Å²	48.1	38%	0.378	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.3	168.7	65.1	0	0	0	0	110.7	D50 A70 T71	D50-S64 PolarHBondContact O-N 2.91Å; S64-A70 CarbonylContact O-C 3.55Å; S64-A70 VanDerWaalsContact O-CA 3.24Å; S64-A70 WeakPolarHBondContact O-CA 3.49Å; S64-T71 PolarHBondContact N-O 2.84Å; S64-T71 PolarHBondContact O-N 2.89Å
65	N	97.2	Very high	97.7	Very high	31 Å²	31	50 Å²	50	17%	0.166	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.9	178.3	-175.4	13.6	0	0	0	109.8	I27 G28 K30 V32 D50 A70	I27-N65 PolarHBondContact O-ND2 2.88Å; G28-N65 WeakPolarHBondContact CA-OD1 3.3Å; G28-N65 PolarHBondContact N-OD1 2.95Å; K30-N65 PolarHBondContact O-ND2 2.83Å; V32-N65 HydrophobicContact CG2-CB 4.48Å; V32-N65 VanDerWaalsContact CG2-ND2 3.35Å; V32-N65 WeakPolarHBondContact CG2-ND2 3.39Å; D50-N65 HydrophobicContact CB-CB 3.95Å; D50-N65 VanDerWaalsContact OD1-CB 3.3Å; D50-N65 WeakPolarHBondContact OD1-CB 3.39Å; D50-N65 PolarHBondContact OD1-ND2 3.27Å; N65-A70 HydrophobicContact CB-CB 4.14Å
66	S	94.8	Very high	97.7	Very high	85 Å²	85	45 Å²	45	59%	0.594	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.5	140.9	177.8	64.8	0	0	0	0	111.5	N68 T69	S66-N68 PolarHBondContact O-N 2.82Å; S66-N68 VanDerWaalsContact O-N 3.1Å; S66-T69 PolarHBondContact N-O 3.44Å; S66-T69 VanDerWaalsContact N-O 3.07Å; S66-T69 PolarHBondContact O-N 2.9Å; S66-T69 VanDerWaalsContact O-N 3.08Å
67	G	94.4	Very high	97.8	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-114.8	179.5	0	0	0	0	0	112	I27 G28	I27-G67 PolarHBondContact N-O 2.85Å; G28-G67 WeakPolarHBondContact CA-O 3.32Å; G28-G67 PolarHBondContact N-O 2.9Å
68	N	96.3	Very high	97.8	Very high	80 Å²	80	45.1 Å²	45.1	43%	0.428	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	11.4	-178.2	-69.4	-16.3	0	0	0	113.5	G23 G24 N26 I27 S66	G23-N68 WeakPolarHBondContact CA-O 3.35Å; G24-N68 PolarHBondContact N-O 2.92Å; G24-N68 CarbonylContact O-C 3.54Å; G24-N68 VanDerWaalsContact O-CA 3.3Å; G24-N68 WeakPolarHBondContact O-CA 3.27Å; G24-N68 WeakPolarHBondContact O-CB 3.5Å; N26-N68 WeakPolarHBondContact CA-OD1 3.3Å; N26-N68 PolarHBondContact N-OD1 2.95Å; I27-N68 WeakPolarHBondContact CG2-O 3.17Å; S66-N68 PolarHBondContact O-N 2.82Å; S66-N68 VanDerWaalsContact O-N 3.1Å
69	T	97.4	Very high	97.8	Very high	62 Å²	62	46.2 Å²	46.2	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.5	-174.6	-52.3	0	0	0	0	111.8	T21 C22 I27 S66	T21-T69 HydrophobicContact CG2-CG2 4.23Å; C22-T69 WeakPolarHBondContact O-CA 3.17Å; I27-T69 VanDerWaalsContact CG2-N 3.32Å; S66-T69 PolarHBondContact N-O 3.44Å; S66-T69 VanDerWaalsContact N-O 3.07Å; S66-T69 PolarHBondContact O-N 2.9Å; S66-T69 VanDerWaalsContact O-N 3.08Å
70	A	98.1	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	150	162.2	0	0	0	0	0	110.8	T21 C22 I27 V32 W34 S64 N65	T21-A70 CarbonylContact C-O 3.49Å; T21-A70 WeakPolarHBondContact CA-O 3.01Å; C22-A70 HydrophobicContact CB-CB 4.34Å; C22-A70 PolarHBondContact N-O 2.84Å; C22-A70 PolarHBondContact O-N 2.81Å; I27-A70 HydrophobicContact CD1-CB 4.18Å; V32-A70 HydrophobicContact CB-CB 4.12Å; V32-A70 HydrophobicContact CG1-CB 3.8Å; V32-A70 HydrophobicContact CG2-CB 3.84Å; W34-A70 HydrophobicContact CZ2-CB 4.36Å; S64-A70 CarbonylContact O-C 3.55Å; S64-A70 VanDerWaalsContact O-CA 3.24Å; S64-A70 WeakPolarHBondContact O-CA 3.49Å; N65-A70 HydrophobicContact CB-CB 4.14Å
71	T	98.6	Very high	97.7	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.1	-179.8	-54.9	0	0	0	0	110.4	R19 I20 G63 S64	R19-T71 HydrophobicContact CB-CG2 4.28Å; I20-T71 CarbonylContact O-C 3.58Å; I20-T71 WeakPolarHBondContact O-CA 3.35Å; G63-T71 CarbonylContact C-O 3.57Å; G63-T71 WeakPolarHBondContact CA-O 3.24Å; S64-T71 PolarHBondContact N-O 2.84Å; S64-T71 PolarHBondContact O-N 2.89Å
72	L	98.8	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.7	160.6	179.5	68.2	0	0	0	108.6	R19 I20 W34 V46 I47 F61 Y85	R19-L72 WeakPolarHBondContact CA-O 3.33Å; I20-L72 HydrophobicContact CB-CB 4.36Å; I20-L72 HydrophobicContact CD1-CD2 4.36Å; I20-L72 PolarHBondContact N-O 3.07Å; I20-L72 PolarHBondContact O-N 2.88Å; W34-L72 HydrophobicContact CB-CD1 4.2Å; W34-L72 HydrophobicContact CB-CD2 4.27Å; W34-L72 HydrophobicContact CD2-CB 3.57Å; W34-L72 HydrophobicContact CD2-CD2 4.22Å; W34-L72 HydrophobicContact CD2-CG 4.34Å; W34-L72 HydrophobicContact CE3-CB 3.84Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CG-CB 3.98Å; W34-L72 HydrophobicContact CG-CD1 4.13Å; W34-L72 HydrophobicContact CG-CD2 4.34Å; W34-L72 HydrophobicContact CG-CG 4.39Å; W34-L72 HydrophobicContact CH2-CB 4.18Å; W34-L72 HydrophobicContact CZ2-CB 3.96Å; W34-L72 HydrophobicContact CZ3-CB 4.13Å; V46-L72 HydrophobicContact CG2-CD1 4.24Å; V46-L72 HydrophobicContact CG2-CD2 4.18Å; I47-L72 HydrophobicContact CG1-CD1 3.6Å; F61-L72 HydrophobicContact CD1-CD1 4.35Å; L72-Y85 HydrophobicContact CD2-CD1 3.56Å; L72-Y85 HydrophobicContact CD2-CE1 3.99Å; L72-Y85 HydrophobicContact CD2-CG 4.33Å
73	T	98.7	Very high	97.6	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.3	174.8	-51.9	0	0	0	0	109.3	M17 A18 F61 S62 D75	M17-T73 HydrophobicContact CE-CG2 4.45Å; M17-T73 HydrophobicContact CG-CG2 3.69Å; M17-T73 HydrophobicContact SD-CG2 3.9Å; A18-T73 WeakPolarHBondContact O-CA 3.37Å; F61-T73 WeakPolarHBondContact CA-O 3.36Å; S62-T73 PolarHBondContact N-O 3.18Å; S62-T73 PolarHBondContact O-N 3.34Å; S62-T73 WeakPolarHBondContact OG-CB 3.33Å; T73-D75 WeakPolarHBondContact CG2-OD1 2.97Å
74	I	98.7	Very high	97.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.9	172.5	-47.8	175.8	0	0	0	107.6	M17 A18 R60 F61 G76 Y85	M17-I74 WeakPolarHBondContact CA-O 3.49Å; A18-I74 HydrophobicContact CB-CB 4.05Å; A18-I74 HydrophobicContact CB-CD1 4.46Å; A18-I74 HydrophobicContact CB-CG1 4.42Å; A18-I74 PolarHBondContact N-O 3.21Å; A18-I74 PolarHBondContact O-N 3.03Å; R60-I74 HydrophobicContact CG-CG2 4.39Å; R60-I74 WeakPolarHBondContact O-CA 3.44Å; F61-I74 HydrophobicContact CD1-CD1 4.18Å; F61-I74 HydrophobicContact CD1-CG1 3.8Å; F61-I74 HydrophobicContact CE1-CB 4.5Å; F61-I74 HydrophobicContact CE1-CD1 3.49Å; F61-I74 VanDerWaalsContact CE1-CD1 3.49Å; F61-I74 HydrophobicContact CE1-CG1 3.61Å; F61-I74 HydrophobicContact CE1-CG2 4.16Å; F61-I74 HydrophobicContact CE2-CG2 4.29Å; F61-I74 HydrophobicContact CZ-CD1 4.09Å; F61-I74 HydrophobicContact CZ-CG1 4.32Å; F61-I74 HydrophobicContact CZ-CG2 4.02Å; I74-G76 PolarHBondContact O-N 2.95Å; I74-Y85 HydrophobicContact CD1-CE1 4.03Å; I74-Y85 HydrophobicContact CD1-CE2 4.37Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.16Å
75	D	98.5	Very high	97.6	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	117.1	-179.2	-68.5	-29.5	0	0	0	111.3	M17 R60 T73	M17-D75 WeakPolarHBondContact CE-OD1 3.22Å; R60-D75 HydrophobicContact CB-CB 4.24Å; R60-D75 WeakPolarHBondContact CB-O 3.43Å; R60-D75 PolarHBondContact O-N 2.82Å; T73-D75 WeakPolarHBondContact CG2-OD1 2.97Å
76	G	98.3	Very high	97.6	Very high	25 Å²	25	50.4 Å²	50.4	26%	0.258	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	62.9	-178.2	0	0	0	0	0	111.8	Q16 I74 Q78	Q16-G76 PolarHBondContact O-N 2.96Å; I74-G76 PolarHBondContact O-N 2.95Å; G76-Q78 WeakPolarHBondContact O-CG 3.44Å; G76-Q78 PolarHBondContact O-N 2.02Å
77	A	98.2	Very high	97.8	Very high	9 Å²	9	47 Å²	47	7%	0.074	28%	0.282	C	S	.	.			trans	-50.5	134	179.9	0	0	0	0	0	111.9	V12 L14 G15 Q16	V12-A77 HydrophobicContact CG1-CB 3.87Å; L14-A77 WeakPolarHBondContact CA-O 3.46Å; G15-A77 PolarHBondContact N-O 3.04Å; Q16-A77 WeakPolarHBondContact O-CB 3.46Å; Q16-A77 PolarHBondContact O-N 2.96Å
78	Q	98.3	Very high	97.8	Very high	104 Å²	104	48.7 Å²	48.7	49%	0.486	28%	0.275	S	S	.	.			trans	-113.2	160.1	-179.9	-57.1	-176	-17.2	0	0	110.1	R60 G76 G80 D81	R60-Q78 VanDerWaalsContact NH1-OE1 3.14Å; G76-Q78 WeakPolarHBondContact O-CG 3.44Å; G76-Q78 PolarHBondContact O-N 2.02Å; Q78-G80 PolarHBondContact O-N 3.28Å; Q78-G80 VanDerWaalsContact O-N 3.14Å; Q78-D81 PolarHBondContact N-OD2 2.99Å; Q78-D81 VanDerWaalsContact O-CB 3.28Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.1Å
79	A	97.1	Very high	97.6	Very high	74 Å²	74	46.2 Å²	46.2	61%	0.612	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-57.6	-32.3	177.9	0	0	0	0	0	112.2	L14 D81 E82	L14-A79 HydrophobicContact CD2-CB 4.28Å; L14-A79 VanDerWaalsContact CD2-N 3.33Å; A79-D81 PolarHBondContact O-N 3.24Å; A79-E82 PolarHBondContact O-N 2.79Å
80	G	96.1	Very high	97	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-71.8	-4.4	175.5	0	0	0	0	0	115.3	K38 Q78	K38-G80 WeakPolarHBondContact CE-O 3.36Å; K38-G80 PolarHBondContact NZ-O 2.86Å; Q78-G80 PolarHBondContact O-N 3.28Å; Q78-G80 VanDerWaalsContact O-N 3.14Å
81	D	97.6	Very high	95.8	Very high	13 Å²	13	54 Å²	54	7%	0.07	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-92.4	-4.4	176.4	-60	-33.6	0	0	0	112.4	R60 F61 Q78 A79 A83 Y85	R60-D81 IonicContact CZ-OD1 2.67Å; R60-D81 IonicContact CZ-OD2 3.38Å; R60-D81 IonicContact NE-OD1 2.62Å; R60-D81 PolarHBondContact NE-OD1 2.85Å; R60-D81 IonicContact NE-OD2 3.49Å; R60-D81 PolarHBondContact NE-OD2 3.21Å; R60-D81 IonicContact NH2-OD1 3.49Å; R60-D81 PolarHBondContact NH2-OD1 3.48Å; R60-D81 IonicContact NH2-OD2 2.91Å; R60-D81 PolarHBondContact NH2-OD2 3.26Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.39Å; Q78-D81 PolarHBondContact N-OD2 2.99Å; Q78-D81 VanDerWaalsContact O-CB 3.28Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.1Å; A79-D81 PolarHBondContact O-N 3.24Å; D81-A83 PolarHBondContact O-N 3.4Å; D81-Y85 WeakPolarHBondContact O-CE2 3.16Å; D81-Y85 PolarHBondContact O-OH 3.1Å
82	E	97.9	Very high	94.2	Very high	169 Å²	169	58.5 Å²	58.5	79%	0.79	32%	0.323	S	S	*	.			trans	-66.9	112.4	171.8	-171.3	171.5	180	0	0	109.9	A79	A79-E82 PolarHBondContact O-N 2.79Å
83	A	97.9	Very high	92.5	Very high	26 Å²	26	63 Å²	63	22%	0.215	35%	0.354	C	S	.	.	S	Bend	trans	-170	166.3	-172	0	0	0	0	0	109.9	Q36 Q37 K38 D81 Y85	Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q37-A83 WeakPolarHBondContact O-CB 3.43Å; K38-A83 HydrophobicContact CG-CB 4.05Å; D81-A83 PolarHBondContact O-N 3.4Å; A83-Y85 HydrophobicContact CB-CE2 3.96Å; A83-Y85 VanDerWaalsContact O-CD2 3.28Å; A83-Y85 WeakPolarHBondContact O-CD2 3.4Å; A83-Y85 WeakPolarHBondContact O-CE2 3.4Å
84	D	98.4	Very high	90.5	Very high	94 Å²	94	67.1 Å²	67.1	50%	0.503	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.2	164.1	-64.5	-52.3	0	0	0	109.9	Q37 Y86	Q37-D84 HydrophobicContact CB-CB 4.4Å; Q37-D84 PolarHBondContact N-O 2.78Å; Q37-D84 PolarHBondContact O-N 2.87Å; D84-Y86 HydrophobicContact CB-CE2 3.63Å; D84-Y86 WeakPolarHBondContact CB-OH 3.05Å
85	Y	98.4	Very high	88.4	Confident	25 Å²	25	71.2 Å²	71.2	10%	0.098	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.9	179.7	-68.8	-91.5	0	0	0	111.1	Q6 I20 Y35 Q36 F61 L72 I74 D81 A83	Q6-Y85 PolarHBondContact NE2-O 3.04Å; I20-Y85 HydrophobicContact CD1-CD1 4.22Å; I20-Y85 HydrophobicContact CD1-CD2 3.51Å; I20-Y85 HydrophobicContact CD1-CE2 4.12Å; I20-Y85 HydrophobicContact CD1-CG 3.55Å; Y35-Y85 VanDerWaalsContact O-CA 3.29Å; Y35-Y85 WeakPolarHBondContact O-CA 3.22Å; Q36-Y85 HydrophobicContact CB-CD1 4.18Å; Q36-Y85 HydrophobicContact CB-CE1 3.83Å; Q36-Y85 HydrophobicContact CG-CD1 4.44Å; Q36-Y85 HydrophobicContact CG-CE1 3.82Å; Q36-Y85 PolarHBondContact NE2-OH 3.08Å; F61-Y85 HydrophobicContact CE1-CE1 4.05Å; L72-Y85 HydrophobicContact CD2-CD1 3.56Å; L72-Y85 HydrophobicContact CD2-CE1 3.99Å; L72-Y85 HydrophobicContact CD2-CG 4.33Å; I74-Y85 HydrophobicContact CD1-CE1 4.03Å; I74-Y85 HydrophobicContact CD1-CE2 4.37Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.16Å; D81-Y85 WeakPolarHBondContact O-CE2 3.16Å; D81-Y85 PolarHBondContact O-OH 3.1Å; A83-Y85 HydrophobicContact CB-CE2 3.96Å; A83-Y85 VanDerWaalsContact O-CD2 3.28Å; A83-Y85 WeakPolarHBondContact O-CD2 3.4Å; A83-Y85 WeakPolarHBondContact O-CE2 3.4Å
86	Y	97.8	Very high	86.1	Confident	99 Å²	99	75.3 Å²	75.3	39%	0.388	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.8	-176.5	-54.6	-76.4	0	0	0	111	W34 Y35 Q37 D84	W34-Y86 WeakPolarHBondContact CA-O 3.43Å; Y35-Y86 PolarHBondContact N-O 2.62Å; Y35-Y86 PolarHBondContact O-N 3.41Å; Q37-Y86 HydrophobicContact CB-CD2 4.36Å; Q37-Y86 HydrophobicContact CB-CE2 3.83Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.26Å; D84-Y86 HydrophobicContact CB-CE2 3.63Å; D84-Y86 WeakPolarHBondContact CB-OH 3.05Å
87	C	97.3	Very high	84	Confident	14 Å²	14	78.6 Å²	78.6	10%	0.095	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	148.5	166.5	66	0	0	0	0	111.2	Q6 C22 V32 Y33 W34	Q6-C87 VanDerWaalsContact CD-SG 3.58Å; Q6-C87 PolarHBondContact OE1-SG 2.85Å; C22-C87 HydrophobicContact CB-CB 3.4Å; C22-C87 VanDerWaalsContact CB-CB 3.4Å; C22-C87 WeakPolarHBondContact CB-SG 3.5Å; C22-C87 WeakPolarHBondContact SG-CB 3.3Å; C22-C87 CovalentContact SG-SG 2.02Å; C22-C87 PolarHBondContact SG-SG 2.9Å; V32-C87 HydrophobicContact CG1-CB 4.39Å; Y33-C87 CarbonylContact O-C 3.56Å; Y33-C87 VanDerWaalsContact O-CA 3.3Å; Y33-C87 WeakPolarHBondContact O-CA 3.38Å; W34-C87 HydrophobicContact CD2-CB 4.27Å; W34-C87 HydrophobicContact CE3-CB 4.03Å; W34-C87 HydrophobicContact CH2-CB 4.03Å; W34-C87 HydrophobicContact CZ2-CB 4.23Å; W34-C87 HydrophobicContact CZ3-CB 3.91Å
88	Q	95.5	Very high	82.1	Confident	86 Å²	86	85.4 Å²	85.4	40%	0.402	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144	169.8	-175.2	-174.9	44.1	0	0	108.5	V32 Y33 Y35	V32-Q88 WeakPolarHBondContact CA-O 3.47Å; Y33-Q88 PolarHBondContact N-O 2.84Å; Y33-Q88 PolarHBondContact O-N 3.15Å; Y35-Q88 HydrophobicContact CE2-CB 3.8Å; Y35-Q88 PolarHBondContact OH-OE1 2.83Å
89	V	92.9	Very high	80	Confident	28 Å²	28	86.6 Å²	86.6	17%	0.17	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.4	169.5	-64.8	0	0	0	0	109.8	Y2 L4 I27 K30 N31 V32	Y2-V89 HydrophobicContact CD1-CG2 3.72Å; Y2-V89 HydrophobicContact CE1-CB 4.37Å; Y2-V89 HydrophobicContact CE1-CG1 4.15Å; Y2-V89 HydrophobicContact CE1-CG2 3.57Å; L4-V89 HydrophobicContact CD1-CG1 4.07Å; L4-V89 HydrophobicContact CD1-CG2 4.2Å; L4-V89 HydrophobicContact CD2-CG1 3.99Å; I27-V89 HydrophobicContact CD1-CG1 3.6Å; I27-V89 HydrophobicContact CG1-CG1 3.53Å; K30-V89 HydrophobicContact CB-CB 4.31Å; K30-V89 HydrophobicContact CD-CB 4Å; K30-V89 HydrophobicContact CD-CG2 4.13Å; N31-V89 WeakPolarHBondContact O-CA 3.27Å; V32-V89 HydrophobicContact CG2-CG1 4.03Å
90	W	84.5	Confident	77.7	Confident	159 Å²	159	86.9 Å²	86.9	60%	0.602	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.8	164.3	-166	-72.3	0	0	0	109.3	N31 Y33	N31-W90 PolarHBondContact O-N 3.44Å; Y33-W90 HydrophobicContact CE2-CB 4.06Å
91	D	73.2	Confident	75.2	Confident	66 Å²	66	100.2 Å²	100.2	35%	0.353	55%	0.547	S	S	.	.			trans	-93.9	117.1	172.7	-158.1	-31.6	0	0	0	109.3	K30 S93	K30-D91 HydrophobicContact CD-CB 4.46Å; K30-D91 WeakPolarHBondContact CE-OD2 3.3Å; K30-D91 IonicContact NZ-OD2 2.72Å; K30-D91 PolarHBondContact NZ-OD2 3.45Å; D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 WeakPolarHBondContact OD1-CB 3.19Å; D91-S93 PolarHBondContact OD1-N 2.72Å; D91-S93 PolarHBondContact OD1-OG 2.73Å
92	S	64.4	Low	74	Confident	107 Å²	107	104.6 Å²	104.6	75%	0.748	57%	0.571	S	S	*	*			trans	-86.6	2.8	176.5	56.8	0	0	0	0	113.1	T94	S92-T94 PolarHBondContact O-N 2.59Å
93	S	63	Low	72.8	Confident	93 Å²	93	101.2 Å²	101.2	65%	0.65	56%	0.559	S	S	*	*			trans	-73.6	-3.2	-173.2	62.4	0	0	0	0	115.8	D91 A95	D91-S93 VanDerWaalsContact C-N 3.29Å; D91-S93 WeakPolarHBondContact OD1-CB 3.19Å; D91-S93 PolarHBondContact OD1-N 2.72Å; D91-S93 PolarHBondContact OD1-OG 2.73Å; S93-A95 PolarHBondContact O-N 2.84Å
94	T	56.4	Low	71.4	Confident	100 Å²	100	105.4 Å²	105.4	61%	0.613	58%	0.578	S	S	*	*			trans	-97.5	81.6	168.9	34.4	0	0	0	0	111	S92 H96	S92-T94 PolarHBondContact O-N 2.59Å; T94-H96 VanDerWaalsContact C-N 3.26Å; T94-H96 PolarHBondContact O-N 3.19Å
95	A	53.7	Low	69.8	Low	90 Å²	90	106.1 Å²	106.1	74%	0.744	58%	0.583	S	S	*	*			trans	-61.4	101	142.5	0	0	0	0	0	106.4	S93 S97	S93-A95 PolarHBondContact O-N 2.84Å; A95-S97 PolarHBondContact O-N 3.25Å
96	H	51.3	Low	68	Low	160 Å²	160	111.1 Å²	111.1	74%	0.741	61%	0.613	S	S	*	*			trans	-66.8	82.9	161.6	-86.5	-82.2	0	0	0	107.2	T94 D98	T94-H96 VanDerWaalsContact C-N 3.26Å; T94-H96 PolarHBondContact O-N 3.19Å; H96-D98 PolarHBondContact O-N 2.88Å; H96-D98 VanDerWaalsContact O-N 3.15Å
97	S	54.2	Low	66	Low	93 Å²	93	111.9 Å²	111.9	65%	0.65	63%	0.628	S	S	*	*			trans	-78.6	84.9	160.2	61.4	0	0	0	0	107	A95 T99	A95-S97 PolarHBondContact O-N 3.25Å; S97-T99 PolarHBondContact O-N 2.53Å
98	D	57.5	Low	63.8	Low	153 Å²	153	118.9 Å²	118.9	82%	0.818	67%	0.666	S	S	*	*			trans	-66.9	82.8	158.5	-95.3	-19.2	0	0	0	107.7	H96	H96-D98 PolarHBondContact O-N 2.88Å; H96-D98 VanDerWaalsContact O-N 3.15Å
99	T	54.5	Low	61.3	Low	128 Å²	128	121.5 Å²	121.5	79%	0.785	69%	0.686	S	S	*	*			trans	-130.5	76.6	163.1	25.3	0	0	0	0	107.7	S97	S97-T99 PolarHBondContact O-N 2.53Å
100	G	49.2	Very low	58.7	Low	81 Å²	81	129.3 Å²	129.3	84%	0.835	73%	0.729	S	S	*	*			trans	-138.9	78.8	164.6	0	0	0	0	0	108.9
101	R	42.7	Very low	56.4	Low	321 Å²	321	126.5 Å²	126.5	100%	1.211	74%	0.741	S	S	*	*			trans	-102.1	0	156.1	-179	-179.3	-178.2	178.2	1.7	107.9

Retrieved 101 of 101 residues in 576.3 ms (Link to these results)

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