X5J5S4_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J5S4_MOUSE|X5J5S4
SGGDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHPSS
					

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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	49.4	Very low	70	Confident	179 Å²	179	102.5 Å²	102.5	100%	1.252	68%	0.682	S	S	*	*				0	123.1	0	-53.6	0	0	0	0	108.8
2	G	46	Very low	72	Confident	79 Å²	79	97 Å²	97	81%	0.814	64%	0.641	S	S	*	*			trans	-123.6	128.2	170.7	0	0	0	0	0	107.5
3	G	58.4	Low	73.9	Confident	63 Å²	63	98.6 Å²	98.6	65%	0.649	63%	0.631	S	S	*	*			trans	-131.2	118	173.1	0	0	0	0	0	107.6
4	D	69.5	Low	75.5	Confident	134 Å²	134	93.2 Å²	93.2	72%	0.717	60%	0.595	S	S	*	*			trans	-75.1	145.9	177.7	-76.2	-33.3	0	0	0	110.9	V6	D4-V6 PolarHBondContact O-N 3.44Å; D4-V6 VanDerWaalsContact O-N 3.1Å
5	L	64.7	Low	77	Confident	186 Å²	186	92.6 Å²	92.6	97%	0.974	59%	0.594	S	S	*	*			trans	-66.7	102.4	167.6	-84.5	151	0	0	0	109.1
6	V	68.4	Low	78.3	Confident	54 Å²	54	87.9 Å²	87.9	33%	0.327	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-99.3	135.5	177.2	-173.8	0	0	0	0	109.9	D4 L12 L80	D4-V6 PolarHBondContact O-N 3.44Å; D4-V6 VanDerWaalsContact O-N 3.1Å; V6-L12 HydrophobicContact CG2-CB 4.11Å; V6-L12 HydrophobicContact CG2-CD1 4.11Å; V6-L12 HydrophobicContact CG2-CD2 4.31Å; V6-L12 HydrophobicContact CG2-CG 4.41Å; V6-L80 HydrophobicContact CB-CD1 4.13Å; V6-L80 HydrophobicContact CG1-CD1 4.02Å
7	K	74.3	Confident	79.4	Confident	177 Å²	177	87.4 Å²	87.4	77%	0.77	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-64.3	149.6	175.1	-66.7	-178	-179.6	179.4	0	110.9	G9 G10	K7-G9 PolarHBondContact O-N 3.49Å; K7-G10 WeakPolarHBondContact O-CA 3.15Å; K7-G10 PolarHBondContact O-N 2.85Å
8	P	75.6	Confident	80.3	Confident	107 Å²	107	83.5 Å²	83.5	70%	0.695	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	141.3	169	-25.4	34.2	0	0	0	111.6	G10	P8-G10 PolarHBondContact O-N 3.32Å
9	G	81.6	Confident	81.1	Confident	57 Å²	57	84.7 Å²	84.7	59%	0.588	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.1	-11.4	-172.8	0	0	0	0	0	114.6	K7 L80	K7-G9 PolarHBondContact O-N 3.49Å; G9-L80 PolarHBondContact N-O 2.97Å
10	G	89.8	Confident	81.7	Confident	23 Å²	23	84.8 Å²	84.8	24%	0.237	57%	0.573	C	S	.	*			trans	-72.5	178.6	176.2	0	0	0	0	0	113.7	K7 P8 S79 L80	K7-G10 WeakPolarHBondContact O-CA 3.15Å; K7-G10 PolarHBondContact O-N 2.85Å; P8-G10 PolarHBondContact O-N 3.32Å; G10-S79 PolarHBondContact O-N 3.35Å; G10-L80 PolarHBondContact O-N 3.3Å; G10-L80 VanDerWaalsContact O-N 3.1Å
11	S	92.8	Very high	82.3	Confident	69 Å²	69	83.2 Å²	83.2	48%	0.483	56%	0.557	S	S	.	*			trans	-125.7	145.6	175.8	-58.3	0	0	0	0	110.5	M77	S11-M77 CarbonylContact C-O 3.57Å; S11-M77 WeakPolarHBondContact CA-O 3.29Å; S11-M77 WeakPolarHBondContact CB-O 3.39Å
12	L	93.8	Very high	84.4	Confident	36 Å²	36	78.9 Å²	78.9	19%	0.188	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.8	177.1	-178.1	59.3	0	0	0	109.2	V6 L14 M77 L80	V6-L12 HydrophobicContact CG2-CB 4.11Å; V6-L12 HydrophobicContact CG2-CD1 4.11Å; V6-L12 HydrophobicContact CG2-CD2 4.31Å; V6-L12 HydrophobicContact CG2-CG 4.41Å; L12-L14 HydrophobicContact CD2-CD2 3.69Å; L12-L14 HydrophobicContact CG-CD2 4.01Å; L12-M77 HydrophobicContact CB-CE 3.82Å; L12-M77 HydrophobicContact CD2-CE 3.75Å; L12-M77 HydrophobicContact CG-CE 4.11Å; L12-M77 PolarHBondContact N-O 3.03Å; L12-M77 PolarHBondContact O-N 3Å; L12-L80 HydrophobicContact CB-CD1 3.96Å
13	K	96.1	Very high	86.8	Confident	118 Å²	118	75.1 Å²	75.1	51%	0.513	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.9	170.6	-171.9	175.5	178.7	177.9	0	109.8	L75	K13-L75 CarbonylContact C-O 3.51Å; K13-L75 WeakPolarHBondContact CA-O 3.34Å
14	L	97.1	Very high	88.5	Confident	23 Å²	23	74.7 Å²	74.7	12%	0.12	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	149.2	171.6	-54.4	-178.4	0	0	0	110.1	L12 W30 Y74 L75 M77 Y88	L12-L14 HydrophobicContact CD2-CD2 3.69Å; L12-L14 HydrophobicContact CG-CD2 4.01Å; L14-W30 HydrophobicContact CB-CH2 3.68Å; L14-W30 HydrophobicContact CB-CZ2 3.95Å; L14-W30 HydrophobicContact CB-CZ3 4.23Å; L14-W30 HydrophobicContact CD1-CE3 4.45Å; L14-W30 HydrophobicContact CD1-CH2 4.4Å; L14-W30 HydrophobicContact CD1-CZ3 4.11Å; L14-Y74 VanDerWaalsContact O-CA 3.27Å; L14-Y74 WeakPolarHBondContact O-CA 3.1Å; L14-L75 HydrophobicContact CB-CB 4.24Å; L14-L75 HydrophobicContact CD1-CD2 4.34Å; L14-L75 PolarHBondContact N-O 2.99Å; L14-L75 PolarHBondContact O-N 2.77Å; L14-M77 HydrophobicContact CD1-CE 4.3Å; L14-M77 HydrophobicContact CD1-SD 4.22Å; L14-M77 HydrophobicContact CG-CE 4.32Å; L14-Y88 HydrophobicContact CD1-CD1 3.99Å; L14-Y88 HydrophobicContact CD1-CD2 4.23Å; L14-Y88 HydrophobicContact CD1-CG 3.69Å
15	S	97.9	Very high	89.7	Confident	84 Å²	84	71.9 Å²	71.9	59%	0.587	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.9	172.1	61.8	0	0	0	0	110.6	L73	S15-L73 CarbonylContact C-O 3.59Å; S15-L73 WeakPolarHBondContact CA-O 3.26Å
16	C	97.6	Very high	91.2	Very high	18 Å²	18	65.5 Å²	65.5	12%	0.122	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	109.8	172.7	164.2	0	0	0	0	109.2	W30 T72 L73 C90	C16-W30 HydrophobicContact CB-CH2 3.86Å; C16-W30 HydrophobicContact CB-CZ2 3.99Å; C16-T72 CarbonylContact O-C 3.54Å; C16-T72 WeakPolarHBondContact O-CA 3.43Å; C16-L73 HydrophobicContact CB-CB 4.41Å; C16-L73 PolarHBondContact N-O 2.47Å; C16-L73 PolarHBondContact O-N 3.13Å; C16-C90 HydrophobicContact CB-CB 3.46Å; C16-C90 VanDerWaalsContact CB-CB 3.46Å; C16-C90 WeakPolarHBondContact CB-SG 3.46Å; C16-C90 WeakPolarHBondContact SG-CB 3.48Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.04Å
17	A	97.3	Very high	92.5	Very high	79 Å²	79	63.8 Å²	63.8	65%	0.653	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.7	171.6	0	0	0	0	0	109.3
18	A	95.1	Very high	93.6	Very high	17 Å²	17	55.6 Å²	55.6	14%	0.14	38%	0.383	C	S	.	.			trans	-96.5	145.5	179	0	0	0	0	0	111.2	F21 F23 N71	A18-F21 HydrophobicContact CB-CE1 3.85Å; A18-F21 HydrophobicContact CB-CE2 4.47Å; A18-F21 HydrophobicContact CB-CZ 3.62Å; A18-F23 HydrophobicContact CB-CD2 3.59Å; A18-F23 HydrophobicContact CB-CE2 4.2Å; A18-F23 HydrophobicContact CB-CG 4.43Å; A18-N71 PolarHBondContact N-O 2.81Å
19	S	95.1	Very high	94.7	Very high	107 Å²	107	50.6 Å²	50.6	75%	0.748	35%	0.35	S	S	*	.			trans	-142.5	161.8	173.9	61.5	0	0	0	0	110.1	F21	S19-F21 WeakPolarHBondContact O-CD1 3.32Å; S19-F21 PolarHBondContact O-N 2.65Å
20	G	94.8	Very high	95.5	Very high	86 Å²	86	48.3 Å²	48.3	89%	0.887	32%	0.324	S	S	*	.	S	Bend	trans	81.2	6.8	177.1	0	0	0	0	0	115.8
21	F	92.6	Very high	95.8	Very high	52 Å²	52	48 Å²	48	23%	0.228	32%	0.318	C	S	.	.	S	Bend	trans	-159.1	163.6	172.2	63.8	-82.7	0	0	0	111.8	A18 S19 F23 Y26 M28 R92	A18-F21 HydrophobicContact CB-CE1 3.85Å; A18-F21 HydrophobicContact CB-CE2 4.47Å; A18-F21 HydrophobicContact CB-CZ 3.62Å; S19-F21 WeakPolarHBondContact O-CD1 3.32Å; S19-F21 PolarHBondContact O-N 2.65Å; F21-F23 HydrophobicContact CE2-CB 4.31Å; F21-F23 HydrophobicContact CE2-CD2 4.25Å; F21-F23 HydrophobicContact CZ-CD2 4.37Å; F21-F23 PolarHBondContact O-N 3.03Å; F21-Y26 HydrophobicContact CB-CE2 4.42Å; F21-Y26 AromaticContact CD2-CD2 3.64Å; F21-Y26 HydrophobicContact CD2-CD2 3.64Å; F21-Y26 AromaticContact CD2-CE2 3.95Å; F21-Y26 HydrophobicContact CD2-CE2 3.95Å; F21-Y26 HydrophobicContact CD2-CG 4.46Å; F21-Y26 HydrophobicContact CE2-CD2 4.14Å; F21-M28 HydrophobicContact CE2-SD 4.11Å; F21-M28 HydrophobicContact CZ-CE 4.21Å; F21-M28 HydrophobicContact CZ-SD 4.16Å; F21-R92 VanDerWaalsContact CB-NH1 3.32Å; F21-R92 VanDerWaalsContact CE2-CD 3.45Å; F21-R92 HydrophobicContact CE2-CG 4.02Å; F21-R92 HydrophobicContact CZ-CB 4.32Å; F21-R92 HydrophobicContact CZ-CG 4.28Å
22	T	94.8	Very high	96	Very high	87 Å²	87	45.4 Å²	45.4	53%	0.534	30%	0.297	S	S	.	.			trans	-73.6	92.2	174.1	-50.6	0	0	0	0	110.4	S24 S25 Y26	T22-S24 VanDerWaalsContact C-N 3.25Å; T22-S24 PolarHBondContact O-N 2.82Å; T22-S25 VanDerWaalsContact CG2-OG 3.27Å; T22-S25 WeakPolarHBondContact CG2-OG 3.35Å; T22-S25 WeakPolarHBondContact O-CB 3.41Å; T22-S25 PolarHBondContact O-N 3.07Å; T22-Y26 VanDerWaalsContact O-CD2 3.29Å; T22-Y26 WeakPolarHBondContact O-CD2 3.32Å
23	F	95.4	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-53.4	-37.8	-175	177.8	-99	0	0	0	114.2	A18 F21 S25 Y26 M28 R66 N68 N71 L73	A18-F23 HydrophobicContact CB-CD2 3.59Å; A18-F23 HydrophobicContact CB-CE2 4.2Å; A18-F23 HydrophobicContact CB-CG 4.43Å; F21-F23 HydrophobicContact CE2-CB 4.31Å; F21-F23 HydrophobicContact CE2-CD2 4.25Å; F21-F23 HydrophobicContact CZ-CD2 4.37Å; F21-F23 PolarHBondContact O-N 3.03Å; F23-S25 PolarHBondContact O-N 2.94Å; F23-Y26 PolarHBondContact O-N 2.82Å; F23-M28 HydrophobicContact CD2-CE 4.34Å; F23-M28 HydrophobicContact CD2-CG 4.11Å; F23-M28 HydrophobicContact CD2-SD 4.1Å; F23-M28 HydrophobicContact CE2-CE 3.98Å; F23-M28 HydrophobicContact CE2-CG 3.56Å; F23-M28 HydrophobicContact CE2-SD 3.99Å; F23-M28 HydrophobicContact CZ-CG 4.01Å; F23-R66 VanDerWaalsContact CD1-NH2 3.32Å; F23-R66 HydrophobicContact CE1-CB 4.16Å; F23-R66 VanDerWaalsContact CE1-NH2 3.29Å; F23-R66 HydrophobicContact CZ-CB 4.22Å; F23-R66 PolarHBondContact O-NH2 2.92Å; F23-N68 WeakPolarHBondContact CE1-OD1 3.29Å; F23-N71 HydrophobicContact CB-CB 3.92Å; F23-N71 WeakPolarHBondContact CB-OD1 3.45Å; F23-N71 HydrophobicContact CG-CB 4.19Å; F23-L73 HydrophobicContact CE2-CB 4.36Å; F23-L73 HydrophobicContact CZ-CB 4.23Å
24	S	95.2	Very high	96.1	Very high	55 Å²	55	41.9 Å²	41.9	39%	0.385	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-66.1	-18.4	178.2	54.8	0	0	0	0	114.1	T22 Y26 S47	T22-S24 VanDerWaalsContact C-N 3.25Å; T22-S24 PolarHBondContact O-N 2.82Å; S24-Y26 VanDerWaalsContact C-N 3.35Å; S24-S47 VanDerWaalsContact O-CB 3.31Å; S24-S47 WeakPolarHBondContact O-CB 3.28Å
25	S	94.8	Very high	95.8	Very high	75 Å²	75	46.4 Å²	46.4	52%	0.524	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-82.4	-11.2	179.2	-56.6	0	0	0	0	113.6	T22 F23	T22-S25 VanDerWaalsContact CG2-OG 3.27Å; T22-S25 WeakPolarHBondContact CG2-OG 3.35Å; T22-S25 WeakPolarHBondContact O-CB 3.41Å; T22-S25 PolarHBondContact O-N 3.07Å; F23-S25 PolarHBondContact O-N 2.94Å
26	Y	95.2	Very high	95.6	Very high	52 Å²	52	47.3 Å²	47.3	20%	0.204	31%	0.312	C	S	.	.	S	Bend	trans	-121	145.9	-172.3	-63	-92.9	0	0	0	113.1	F21 T22 F23 S24 S47 R66 R92 H93 S95	F21-Y26 HydrophobicContact CB-CE2 4.42Å; F21-Y26 AromaticContact CD2-CD2 3.64Å; F21-Y26 HydrophobicContact CD2-CD2 3.64Å; F21-Y26 AromaticContact CD2-CE2 3.95Å; F21-Y26 HydrophobicContact CD2-CE2 3.95Å; F21-Y26 HydrophobicContact CD2-CG 4.46Å; F21-Y26 HydrophobicContact CE2-CD2 4.14Å; T22-Y26 VanDerWaalsContact O-CD2 3.29Å; T22-Y26 WeakPolarHBondContact O-CD2 3.32Å; F23-Y26 PolarHBondContact O-N 2.82Å; S24-Y26 VanDerWaalsContact C-N 3.35Å; Y26-S47 WeakPolarHBondContact O-CA 3.37Å; Y26-R66 PolarHBondContact O-NH1 3.4Å; Y26-R92 HydrophobicContact CD1-CG 3.71Å; Y26-R92 HydrophobicContact CD2-CG 4.38Å; Y26-R92 HydrophobicContact CE1-CG 4.47Å; Y26-R92 HydrophobicContact CG-CG 3.65Å; Y26-H93 WeakPolarHBondContact CD1-O 3.36Å; Y26-S95 WeakPolarHBondContact CE1-OG 3.21Å
27	G	96.2	Very high	95.3	Very high	18 Å²	18	54.3 Å²	54.3	19%	0.186	34%	0.34	C	S	.	.			trans	-67.2	144.4	158.1	0	0	0	0	0	110	I45 H93	G27-I45 CarbonylContact C-O 3.49Å; G27-I45 VanDerWaalsContact CA-O 3.29Å; G27-I45 WeakPolarHBondContact CA-O 3.28Å; G27-H93 WeakPolarHBondContact O-CB 3.12Å; G27-H93 PolarHBondContact O-N 2.97Å
28	M	97.5	Very high	95.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.1	-176.7	-62.1	-62	-58.4	0	0	109.7	F21 F23 T44 I45 L73 A91 R92	F21-M28 HydrophobicContact CE2-SD 4.11Å; F21-M28 HydrophobicContact CZ-CE 4.21Å; F21-M28 HydrophobicContact CZ-SD 4.16Å; F23-M28 HydrophobicContact CD2-CE 4.34Å; F23-M28 HydrophobicContact CD2-CG 4.11Å; F23-M28 HydrophobicContact CD2-SD 4.1Å; F23-M28 HydrophobicContact CE2-CE 3.98Å; F23-M28 HydrophobicContact CE2-CG 3.56Å; F23-M28 HydrophobicContact CE2-SD 3.99Å; F23-M28 HydrophobicContact CZ-CG 4.01Å; M28-T44 WeakPolarHBondContact O-CA 3.44Å; M28-I45 HydrophobicContact CB-CG2 4.24Å; M28-I45 PolarHBondContact N-O 2.86Å; M28-I45 PolarHBondContact O-N 2.85Å; M28-L73 HydrophobicContact CB-CD1 3.76Å; M28-L73 HydrophobicContact CB-CD2 3.96Å; M28-L73 HydrophobicContact CB-CG 4.42Å; M28-A91 WeakPolarHBondContact CA-O 3.49Å; M28-R92 HydrophobicContact CE-CB 4.2Å; M28-R92 HydrophobicContact SD-CB 3.91Å; M28-R92 HydrophobicContact SD-CG 3.96Å
29	S	97.8	Very high	95.1	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.007	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.7	-176.9	-59.9	0	0	0	0	111.8	W41 A43 T44 C90 A91	S29-W41 WeakPolarHBondContact OG-CZ3 3.34Å; S29-A43 CarbonylContact C-O 3.44Å; S29-A43 WeakPolarHBondContact CA-O 3.43Å; S29-A43 WeakPolarHBondContact CB-O 3.18Å; S29-T44 WeakPolarHBondContact OG-CG2 3.43Å; S29-T44 PolarHBondContact OG-OG1 3.37Å; S29-C90 CarbonylContact O-C 3.5Å; S29-C90 WeakPolarHBondContact O-CA 3.5Å; S29-A91 PolarHBondContact N-O 3.1Å; S29-A91 PolarHBondContact O-N 3.45Å
30	W	98.2	Very high	95.1	Very high	9 Å²	9	58.5 Å²	58.5	3%	0.034	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132	161.1	-75.2	97.2	0	0	0	109.4	L14 C16 V42 A43 L73 Y74 L75 Y89 C90	L14-W30 HydrophobicContact CB-CH2 3.68Å; L14-W30 HydrophobicContact CB-CZ2 3.95Å; L14-W30 HydrophobicContact CB-CZ3 4.23Å; L14-W30 HydrophobicContact CD1-CE3 4.45Å; L14-W30 HydrophobicContact CD1-CH2 4.4Å; L14-W30 HydrophobicContact CD1-CZ3 4.11Å; C16-W30 HydrophobicContact CB-CH2 3.86Å; C16-W30 HydrophobicContact CB-CZ2 3.99Å; W30-V42 HydrophobicContact CB-CB 4.06Å; W30-V42 WeakPolarHBondContact O-CB 3.44Å; W30-V42 PolarHBondContact O-N 3.1Å; W30-A43 PolarHBondContact N-O 2.82Å; W30-A43 PolarHBondContact O-N 2.8Å; W30-L73 HydrophobicContact CD2-CD2 4.4Å; W30-L73 HydrophobicContact CG-CD2 4.29Å; W30-L73 VanDerWaalsContact NE1-CD2 3.33Å; W30-Y74 PolarHBondContact NE1-O 2.8Å; W30-L75 HydrophobicContact CB-CD2 4.23Å; W30-L75 HydrophobicContact CD2-CB 4.12Å; W30-L75 HydrophobicContact CD2-CD2 4.3Å; W30-L75 HydrophobicContact CG-CB 4.12Å; W30-L75 HydrophobicContact CG-CD1 4.43Å; W30-L75 HydrophobicContact CG-CD2 4.03Å; W30-L75 HydrophobicContact CG-CG 4.44Å; W30-L75 HydrophobicContact CZ2-CB 4.3Å; W30-Y89 WeakPolarHBondContact CA-O 3.27Å; W30-C90 HydrophobicContact CZ3-CB 4.47Å
31	V	97.5	Very high	95.1	Very high	18 Å²	18	61.4 Å²	61.4	11%	0.109	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.4	174.1	-175.9	0	0	0	0	106.9	L39 E40 W41 Y89 A91	V31-L39 HydrophobicContact CG1-CB 4.33Å; V31-L39 HydrophobicContact CG1-CD2 4.07Å; V31-E40 CarbonylContact C-O 3.52Å; V31-E40 WeakPolarHBondContact CA-O 3.33Å; V31-E40 WeakPolarHBondContact CG1-O 3.47Å; V31-W41 HydrophobicContact CG2-CD2 4.25Å; V31-W41 HydrophobicContact CG2-CE3 3.59Å; V31-W41 HydrophobicContact CG2-CH2 4.26Å; V31-W41 HydrophobicContact CG2-CZ3 3.59Å; V31-Y89 PolarHBondContact N-O 2.87Å; V31-Y89 PolarHBondContact O-N 3.09Å; V31-A91 HydrophobicContact CG2-CB 4.13Å
32	R	96.9	Very high	95.4	Very high	14 Å²	14	59 Å²	59	5%	0.053	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.8	171.7	71	-177.1	-178.2	-176.4	7.1	111.2	L39 E40 V42 D84 A86 M87 Y88	R32-L39 WeakPolarHBondContact O-CA 3.17Å; R32-E40 HydrophobicContact CG-CB 3.99Å; R32-E40 IonicContact CZ-OE2 2.87Å; R32-E40 VanDerWaalsContact CZ-OE2 3.28Å; R32-E40 PolarHBondContact N-O 3.43Å; R32-E40 IonicContact NE-OE2 3.9Å; R32-E40 PolarHBondContact NE-OE2 2.77Å; R32-E40 IonicContact NH2-OE2 3.09Å; R32-E40 PolarHBondContact NH2-OE2 3.15Å; R32-E40 PolarHBondContact O-N 3.3Å; R32-V42 HydrophobicContact CB-CG2 3.79Å; R32-V42 HydrophobicContact CG-CG2 3.6Å; R32-D84 IonicContact NH1-OD1 3.13Å; R32-D84 PolarHBondContact NH1-OD1 2.96Å; R32-D84 VanDerWaalsContact NH1-OD1 3.09Å; R32-A86 HydrophobicContact CB-CB 3.81Å; R32-A86 HydrophobicContact CG-CB 4.1Å; R32-M87 CarbonylContact C-O 3.47Å; R32-M87 WeakPolarHBondContact CA-O 3.42Å; R32-Y88 HydrophobicContact CB-CD1 3.87Å; R32-Y88 HydrophobicContact CB-CD2 4.45Å; R32-Y88 HydrophobicContact CB-CE1 3.81Å; R32-Y88 HydrophobicContact CB-CE2 4.39Å; R32-Y88 HydrophobicContact CB-CG 4.19Å; R32-Y88 HydrophobicContact CG-CE1 4.48Å
33	Q	96.9	Very high	95.6	Very high	64 Å²	64	54.9 Å²	54.9	30%	0.299	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.5	168.3	-171.4	174.1	48.2	0	0	108.8	R38 L39 A86 M87 Y89	Q33-R38 VanDerWaalsContact CA-O 3.32Å; Q33-R38 WeakPolarHBondContact CA-O 3.5Å; Q33-L39 HydrophobicContact CB-CD2 3.82Å; Q33-L39 HydrophobicContact CG-CD2 4.14Å; Q33-A86 WeakPolarHBondContact O-CB 3.06Å; Q33-M87 PolarHBondContact N-O 2.88Å; Q33-M87 PolarHBondContact O-N 3.04Å; Q33-Y89 HydrophobicContact CB-CE2 3.78Å
34	T	93.8	Very high	95.7	Very high	16 Å²	16	56.3 Å²	56.3	10%	0.098	29%	0.286	C	S	.	.			trans	-72	164	176.9	44.2	0	0	0	0	111.1	D36 K37 R38 A86	T34-D36 WeakPolarHBondContact CB-OD1 3.41Å; T34-D36 PolarHBondContact O-N 3.16Å; T34-D36 VanDerWaalsContact O-N 3.13Å; T34-D36 PolarHBondContact OG1-OD1 3.27Å; T34-K37 WeakPolarHBondContact O-CA 3.12Å; T34-K37 PolarHBondContact O-N 3.11Å; T34-R38 PolarHBondContact N-O 2.95Å; T34-R38 WeakPolarHBondContact OG1-CB 3.21Å; T34-R38 PolarHBondContact OG1-N 3.1Å; T34-R38 PolarHBondContact OG1-O 3.18Å; T34-R38 VanDerWaalsContact OG1-O 3.07Å; T34-A86 HydrophobicContact CG2-CB 4.47Å
35	P	91.4	Very high	95.8	Very high	117 Å²	117	54 Å²	54	76%	0.76	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.9	-179.1	-28	36.3	0	0	0	115.1	K37	P35-K37 PolarHBondContact O-N 3.03Å
36	D	93.1	Very high	95.9	Very high	103 Å²	103	51.7 Å²	51.7	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	10	173.2	67.9	-20.2	0	0	0	113.6	T34 R38	T34-D36 WeakPolarHBondContact CB-OD1 3.41Å; T34-D36 PolarHBondContact O-N 3.16Å; T34-D36 VanDerWaalsContact O-N 3.13Å; T34-D36 PolarHBondContact OG1-OD1 3.27Å; D36-R38 VanDerWaalsContact C-N 3.25Å; D36-R38 PolarHBondContact O-N 3.08Å; D36-R38 PolarHBondContact OD1-N 3.21Å
37	K	91	Very high	95.9	Very high	165 Å²	165	51.8 Å²	51.8	72%	0.717	26%	0.261	S	S	*	.			trans	68.2	10.9	178.6	-52.7	-179.9	179.7	178.3	0	115.5	T34 P35	T34-K37 WeakPolarHBondContact O-CA 3.12Å; T34-K37 PolarHBondContact O-N 3.11Å; P35-K37 PolarHBondContact O-N 3.03Å
38	R	93.3	Very high	95.5	Very high	142 Å²	142	53.9 Å²	53.9	54%	0.536	28%	0.283	S	S	.	.			trans	-71.2	135	172.5	-176.9	172.4	71	-153.2	2.3	110.6	Q33 T34 D36 E40	Q33-R38 VanDerWaalsContact CA-O 3.32Å; Q33-R38 WeakPolarHBondContact CA-O 3.5Å; T34-R38 PolarHBondContact N-O 2.95Å; T34-R38 WeakPolarHBondContact OG1-CB 3.21Å; T34-R38 PolarHBondContact OG1-N 3.1Å; T34-R38 PolarHBondContact OG1-O 3.18Å; T34-R38 VanDerWaalsContact OG1-O 3.07Å; D36-R38 VanDerWaalsContact C-N 3.25Å; D36-R38 PolarHBondContact O-N 3.08Å; D36-R38 PolarHBondContact OD1-N 3.21Å; R38-E40 HydrophobicContact CG-CG 4.28Å; R38-E40 IonicContact CZ-OE1 2.82Å; R38-E40 IonicContact NE-OE1 2.8Å; R38-E40 PolarHBondContact NE-OE1 2.77Å; R38-E40 IonicContact NH2-OE1 3.28Å; R38-E40 PolarHBondContact NH2-OE1 2.84Å
39	L	94.9	Very high	95.4	Very high	114 Å²	114	55 Å²	55	60%	0.597	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.9	173	-70.6	172	0	0	0	110.1	V31 R32 Q33	V31-L39 HydrophobicContact CG1-CB 4.33Å; V31-L39 HydrophobicContact CG1-CD2 4.07Å; R32-L39 WeakPolarHBondContact O-CA 3.17Å; Q33-L39 HydrophobicContact CB-CD2 3.82Å; Q33-L39 HydrophobicContact CG-CD2 4.14Å
40	E	95.7	Very high	95.2	Very high	35 Å²	35	60.7 Å²	60.7	16%	0.164	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.4	-179.3	-62.8	-178.7	171	0	0	110.6	V31 R32 R38	V31-E40 CarbonylContact C-O 3.52Å; V31-E40 WeakPolarHBondContact CA-O 3.33Å; V31-E40 WeakPolarHBondContact CG1-O 3.47Å; R32-E40 HydrophobicContact CG-CB 3.99Å; R32-E40 IonicContact CZ-OE2 2.87Å; R32-E40 VanDerWaalsContact CZ-OE2 3.28Å; R32-E40 PolarHBondContact N-O 3.43Å; R32-E40 IonicContact NE-OE2 3.9Å; R32-E40 PolarHBondContact NE-OE2 2.77Å; R32-E40 IonicContact NH2-OE2 3.09Å; R32-E40 PolarHBondContact NH2-OE2 3.15Å; R32-E40 PolarHBondContact O-N 3.3Å; R38-E40 HydrophobicContact CG-CG 4.28Å; R38-E40 IonicContact CZ-OE1 2.82Å; R38-E40 IonicContact NE-OE1 2.8Å; R38-E40 PolarHBondContact NE-OE1 2.77Å; R38-E40 IonicContact NH2-OE1 3.28Å; R38-E40 PolarHBondContact NH2-OE1 2.84Å
41	W	96.1	Very high	95.1	Very high	148 Å²	148	66.7 Å²	66.7	56%	0.561	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.9	167.9	-65.1	100	0	0	0	110	S29 V31 P55	S29-W41 WeakPolarHBondContact OG-CZ3 3.34Å; V31-W41 HydrophobicContact CG2-CD2 4.25Å; V31-W41 HydrophobicContact CG2-CE3 3.59Å; V31-W41 HydrophobicContact CG2-CH2 4.26Å; V31-W41 HydrophobicContact CG2-CZ3 3.59Å; W41-P55 WeakPolarHBondContact O-CG 3.27Å
42	V	97.8	Very high	95.1	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-46.3	-179.5	179	0	0	0	0	111	W30 R32 P55 V58 F62 L75 Y88	W30-V42 HydrophobicContact CB-CB 4.06Å; W30-V42 WeakPolarHBondContact O-CB 3.44Å; W30-V42 PolarHBondContact O-N 3.1Å; R32-V42 HydrophobicContact CB-CG2 3.79Å; R32-V42 HydrophobicContact CG-CG2 3.6Å; V42-P55 WeakPolarHBondContact O-CD 3.5Å; V42-V58 HydrophobicContact CG1-CG2 4.36Å; V42-V58 VanDerWaalsContact O-CG2 3.28Å; V42-V58 WeakPolarHBondContact O-CG2 3.49Å; V42-F62 HydrophobicContact CG1-CD2 3.66Å; V42-F62 HydrophobicContact CG1-CE2 4.05Å; V42-L75 HydrophobicContact CG1-CD2 3.89Å; V42-Y88 HydrophobicContact CG1-CE1 4.23Å; V42-Y88 HydrophobicContact CG2-CD1 4.3Å; V42-Y88 HydrophobicContact CG2-CE1 3.93Å
43	A	98.1	Very high	95.2	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.008	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	151.9	176.1	0	0	0	0	0	110.4	S29 W30 Y53 Y54 I64 L75	S29-A43 CarbonylContact C-O 3.44Å; S29-A43 WeakPolarHBondContact CA-O 3.43Å; S29-A43 WeakPolarHBondContact CB-O 3.18Å; W30-A43 PolarHBondContact N-O 2.82Å; W30-A43 PolarHBondContact O-N 2.8Å; A43-Y53 CarbonylContact C-O 3.58Å; A43-Y53 VanDerWaalsContact CA-O 3.28Å; A43-Y53 WeakPolarHBondContact CA-O 3.45Å; A43-Y54 HydrophobicContact CB-CD1 3.68Å; A43-Y54 HydrophobicContact CB-CE1 3.71Å; A43-I64 HydrophobicContact CB-CB 3.74Å; A43-I64 HydrophobicContact CB-CD1 3.93Å; A43-I64 HydrophobicContact CB-CG1 4.38Å; A43-I64 HydrophobicContact CB-CG2 3.94Å; A43-L75 HydrophobicContact CB-CD1 4.19Å
44	T	97.8	Very high	95.2	Very high	30 Å²	30	72.6 Å²	72.6	18%	0.184	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143	174.8	-64.3	0	0	0	0	109.8	M28 S29 T52 Y53	M28-T44 WeakPolarHBondContact O-CA 3.44Å; S29-T44 WeakPolarHBondContact OG-CG2 3.43Å; S29-T44 PolarHBondContact OG-OG1 3.37Å; T44-T52 CarbonylContact O-C 3.59Å; T44-T52 WeakPolarHBondContact O-CA 3.45Å; T44-Y53 PolarHBondContact N-O 3.37Å; T44-Y53 PolarHBondContact O-N 3.5Å
45	I	97.9	Very high	95.4	Very high	7 Å²	7	73 Å²	73	4%	0.036	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.7	174.3	-170.8	161.6	0	0	0	110	G27 M28 Y51 T52 I64 R66 L73	G27-I45 CarbonylContact C-O 3.49Å; G27-I45 VanDerWaalsContact CA-O 3.29Å; G27-I45 WeakPolarHBondContact CA-O 3.28Å; M28-I45 HydrophobicContact CB-CG2 4.24Å; M28-I45 PolarHBondContact N-O 2.86Å; M28-I45 PolarHBondContact O-N 2.85Å; I45-Y51 WeakPolarHBondContact CA-O 3.49Å; I45-T52 HydrophobicContact CB-CG2 4.16Å; I45-T52 HydrophobicContact CD1-CG2 3.91Å; I45-T52 HydrophobicContact CG1-CG2 3.83Å; I45-I64 HydrophobicContact CB-CD1 3.98Å; I45-I64 HydrophobicContact CB-CG1 4.22Å; I45-I64 HydrophobicContact CB-CG2 3.99Å; I45-I64 HydrophobicContact CG2-CD1 3.66Å; I45-I64 HydrophobicContact CG2-CG1 3.98Å; I45-R66 HydrophobicContact CD1-CB 4.33Å; I45-R66 HydrophobicContact CD1-CG 3.79Å; I45-R66 HydrophobicContact CG1-CG 4.46Å; I45-L73 HydrophobicContact CG2-CD1 3.61Å
46	S	96.6	Very high	95.6	Very high	26 Å²	26	74 Å²	74	18%	0.182	39%	0.386	C	S	.	.			trans	-63.7	163.6	176.1	56.3	0	0	0	0	112.9	G48 G49 S50 Y51 R66	S46-G48 VanDerWaalsContact C-N 3.29Å; S46-G48 PolarHBondContact O-N 2.88Å; S46-G49 PolarHBondContact O-N 3.29Å; S46-G49 PolarHBondContact OG-N 2.68Å; S46-S50 PolarHBondContact OG-N 2.97Å; S46-Y51 PolarHBondContact N-O 2.9Å; S46-Y51 PolarHBondContact OG-N 2.92Å; S46-Y51 PolarHBondContact OG-O 2.79Å; S46-R66 PolarHBondContact O-NH1 3.33Å
47	S	94.9	Very high	95.7	Very high	54 Å²	54	72.1 Å²	72.1	38%	0.378	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-44.4	177.2	50.1	0	0	0	0	113.6	S24 Y26 R66	S24-S47 VanDerWaalsContact O-CB 3.31Å; S24-S47 WeakPolarHBondContact O-CB 3.28Å; Y26-S47 WeakPolarHBondContact O-CA 3.37Å; S47-R66 VanDerWaalsContact C-NH1 3.32Å; S47-R66 PolarHBondContact O-NE 2.67Å; S47-R66 PolarHBondContact O-NH1 3.01Å; S47-R66 PolarHBondContact O-NH2 2.84Å
48	G	88.8	Confident	96	Very high	62 Å²	62	64.2 Å²	64.2	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9	177	0	0	0	0	0	114.9	S46 S50	S46-G48 VanDerWaalsContact C-N 3.29Å; S46-G48 PolarHBondContact O-N 2.88Å; G48-S50 PolarHBondContact O-N 3.1Å
49	G	93.9	Very high	96.1	Very high	28 Å²	28	64 Å²	64	29%	0.289	35%	0.349	S	S	.	.	S	Bend	trans	77.1	0.1	-176.7	0	0	0	0	0	115.6	S46	S46-G49 PolarHBondContact O-N 3.29Å; S46-G49 PolarHBondContact OG-N 2.68Å
50	S	93.8	Very high	96.2	Very high	120 Å²	120	62.5 Å²	62.5	84%	0.839	36%	0.362	S	S	*	.	S	Bend	trans	-71.4	-32.8	-178	54.7	0	0	0	0	113.3	S46 G48	S46-S50 PolarHBondContact OG-N 2.97Å; G48-S50 PolarHBondContact O-N 3.1Å
51	Y	96.5	Very high	96.3	Very high	136 Å²	136	62.4 Å²	62.4	53%	0.533	36%	0.36	S	S	.	.			trans	-107.7	133.2	175.8	177	-95.5	0	0	0	111.4	I45 S46	I45-Y51 WeakPolarHBondContact CA-O 3.49Å; S46-Y51 PolarHBondContact N-O 2.9Å; S46-Y51 PolarHBondContact OG-N 2.92Å; S46-Y51 PolarHBondContact OG-O 2.79Å
52	T	98.1	Very high	96.4	Very high	59 Å²	59	55.5 Å²	55.5	36%	0.362	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.7	168.7	57.4	0	0	0	0	111	T44 I45 I64	T44-T52 CarbonylContact O-C 3.59Å; T44-T52 WeakPolarHBondContact O-CA 3.45Å; I45-T52 HydrophobicContact CB-CG2 4.16Å; I45-T52 HydrophobicContact CD1-CG2 3.91Å; I45-T52 HydrophobicContact CG1-CG2 3.83Å; T52-I64 HydrophobicContact CG2-CG2 3.83Å
53	Y	97.8	Very high	96.4	Very high	117 Å²	117	59.1 Å²	59.1	46%	0.459	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.3	174.5	173.6	-95.7	0	0	0	110.5	A43 T44	A43-Y53 CarbonylContact C-O 3.58Å; A43-Y53 VanDerWaalsContact CA-O 3.28Å; A43-Y53 WeakPolarHBondContact CA-O 3.45Å; T44-Y53 PolarHBondContact N-O 3.37Å; T44-Y53 PolarHBondContact O-N 3.5Å
54	Y	98.2	Very high	96.4	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.173	36%	0.357	C	S	.	.			trans	-137.4	133.3	174.8	-54.6	-88.8	0	0	0	109.3	A43 F62 T63 I64	A43-Y54 HydrophobicContact CB-CD1 3.68Å; A43-Y54 HydrophobicContact CB-CE1 3.71Å; Y54-F62 VanDerWaalsContact CE1-O 3.26Å; Y54-F62 WeakPolarHBondContact CE1-O 3.46Å; Y54-T63 WeakPolarHBondContact OH-CA 3.33Å; Y54-I64 HydrophobicContact CE1-CB 4.29Å; Y54-I64 HydrophobicContact CE1-CG2 3.95Å; Y54-I64 WeakPolarHBondContact OH-CG2 3.43Å; Y54-I64 PolarHBondContact OH-N 2.95Å
55	P	97.1	Very high	96.5	Very high	23 Å²	23	60.3 Å²	60.3	15%	0.149	37%	0.365	C	S	.	.			trans	-71.1	156.5	168.7	30.9	-30.7	0	0	0	110.7	W41 V42 S57 V58 K59	W41-P55 WeakPolarHBondContact O-CG 3.27Å; V42-P55 WeakPolarHBondContact O-CD 3.5Å; P55-S57 PolarHBondContact O-N 3.07Å; P55-S57 VanDerWaalsContact O-N 3.08Å; P55-V58 HydrophobicContact CG-CG2 3.97Å; P55-V58 PolarHBondContact O-N 2.99Å; P55-V58 VanDerWaalsContact O-N 3.1Å; P55-K59 PolarHBondContact O-N 3.39Å
56	D	96.8	Very high	96.5	Very high	139 Å²	139	61.7 Å²	61.7	74%	0.743	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.1	-174.9	-65.7	-32.8	0	0	0	113.5	V58	D56-V58 PolarHBondContact O-N 2.92Å
57	S	94.8	Very high	96.5	Very high	63 Å²	63	62.4 Å²	62.4	44%	0.441	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	177.3	56.3	0	0	0	0	114.1	P55 R61	P55-S57 PolarHBondContact O-N 3.07Å; P55-S57 VanDerWaalsContact O-N 3.08Å; S57-R61 PolarHBondContact O-NH2 3.2Å
58	V	96.9	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-6.4	-176.2	-55.7	0	0	0	0	113.7	V42 P55 D56 G60 R61 F62	V42-V58 HydrophobicContact CG1-CG2 4.36Å; V42-V58 VanDerWaalsContact O-CG2 3.28Å; V42-V58 WeakPolarHBondContact O-CG2 3.49Å; P55-V58 HydrophobicContact CG-CG2 3.97Å; P55-V58 PolarHBondContact O-N 2.99Å; P55-V58 VanDerWaalsContact O-N 3.1Å; D56-V58 PolarHBondContact O-N 2.92Å; V58-G60 PolarHBondContact O-N 2.83Å; V58-R61 PolarHBondContact O-N 3.1Å; V58-F62 HydrophobicContact CB-CB 4.17Å; V58-F62 HydrophobicContact CB-CD1 4.44Å; V58-F62 HydrophobicContact CB-CD2 3.61Å; V58-F62 HydrophobicContact CB-CE2 4.04Å; V58-F62 HydrophobicContact CB-CG 3.83Å; V58-F62 HydrophobicContact CG1-CD2 3.68Å; V58-F62 HydrophobicContact CG1-CE2 3.59Å; V58-F62 HydrophobicContact CG1-CG 4.33Å; V58-F62 HydrophobicContact CG1-CZ 4.17Å; V58-F62 HydrophobicContact CG2-CB 4.39Å; V58-F62 HydrophobicContact CG2-CD2 4.14Å; V58-F62 HydrophobicContact CG2-CG 4.47Å; V58-F62 PolarHBondContact O-N 2.83Å; V58-F62 VanDerWaalsContact O-N 3.07Å
59	K	96.4	Very high	96.9	Very high	136 Å²	136	64.5 Å²	64.5	59%	0.591	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.3	-179.9	-167.1	173.3	-174.7	177.6	0	111	P55 R61	P55-K59 PolarHBondContact O-N 3.39Å; K59-R61 PolarHBondContact O-N 2.85Å
60	G	96.7	Very high	97.1	Very high	84 Å²	84	69.4 Å²	69.4	87%	0.866	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-7.9	-177.2	0	0	0	0	0	115.2	V58	V58-G60 PolarHBondContact O-N 2.83Å
61	R	97.4	Very high	97.2	Very high	32 Å²	32	66.7 Å²	66.7	12%	0.121	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-38.2	176.1	-61	-168.6	-57.9	115.4	0.3	112.4	S57 V58 K59 S78 S79 D84	S57-R61 PolarHBondContact O-NH2 3.2Å; V58-R61 PolarHBondContact O-N 3.1Å; K59-R61 PolarHBondContact O-N 2.85Å; R61-S78 WeakPolarHBondContact CB-O 3.03Å; R61-S78 WeakPolarHBondContact O-CB 3.01Å; R61-S78 PolarHBondContact O-N 2.8Å; R61-S79 PolarHBondContact NH1-O 2.88Å; R61-D84 IonicContact CZ-OD1 3.89Å; R61-D84 IonicContact CZ-OD2 3.37Å; R61-D84 IonicContact NH1-OD1 2.96Å; R61-D84 IonicContact NH1-OD2 2.67Å; R61-D84 PolarHBondContact NH1-OD2 3.32Å; R61-D84 IonicContact NH2-OD1 3.18Å; R61-D84 PolarHBondContact NH2-OD1 2.97Å; R61-D84 IonicContact NH2-OD2 2.65Å; R61-D84 PolarHBondContact NH2-OD2 2.88Å
62	F	97.9	Very high	97.3	Very high	4 Å²	4	61 Å²	61	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.2	-176	-65.1	6.5	0	0	0	110.9	V42 Y54 V58 L75 Q76 M77 L80 D84	V42-F62 HydrophobicContact CG1-CD2 3.66Å; V42-F62 HydrophobicContact CG1-CE2 4.05Å; Y54-F62 VanDerWaalsContact CE1-O 3.26Å; Y54-F62 WeakPolarHBondContact CE1-O 3.46Å; V58-F62 HydrophobicContact CB-CB 4.17Å; V58-F62 HydrophobicContact CB-CD1 4.44Å; V58-F62 HydrophobicContact CB-CD2 3.61Å; V58-F62 HydrophobicContact CB-CE2 4.04Å; V58-F62 HydrophobicContact CB-CG 3.83Å; V58-F62 HydrophobicContact CG1-CD2 3.68Å; V58-F62 HydrophobicContact CG1-CE2 3.59Å; V58-F62 HydrophobicContact CG1-CG 4.33Å; V58-F62 HydrophobicContact CG1-CZ 4.17Å; V58-F62 HydrophobicContact CG2-CB 4.39Å; V58-F62 HydrophobicContact CG2-CD2 4.14Å; V58-F62 HydrophobicContact CG2-CG 4.47Å; V58-F62 PolarHBondContact O-N 2.83Å; V58-F62 VanDerWaalsContact O-N 3.07Å; F62-L75 HydrophobicContact CB-CD1 4.25Å; F62-L75 HydrophobicContact CD2-CD2 4.28Å; F62-Q76 CarbonylContact C-O 3.55Å; F62-Q76 VanDerWaalsContact CA-O 3.26Å; F62-Q76 WeakPolarHBondContact CA-O 3.33Å; F62-M77 HydrophobicContact CD1-CB 3.76Å; F62-M77 HydrophobicContact CD1-CG 4.07Å; F62-M77 HydrophobicContact CD2-CG 4.02Å; F62-M77 HydrophobicContact CD2-SD 4.28Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.07Å; F62-M77 HydrophobicContact CE1-SD 4.44Å; F62-M77 HydrophobicContact CE2-CB 4.47Å; F62-M77 HydrophobicContact CE2-CG 3.99Å; F62-M77 HydrophobicContact CE2-SD 3.74Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.08Å; F62-M77 HydrophobicContact CZ-CB 4.03Å; F62-M77 HydrophobicContact CZ-CG 4.03Å; F62-M77 HydrophobicContact CZ-SD 3.84Å; F62-L80 HydrophobicContact CE1-CD2 4.08Å; F62-L80 HydrophobicContact CZ-CD2 3.96Å; F62-D84 HydrophobicContact CZ-CB 4.1Å
63	T	98.4	Very high	97.3	Very high	77 Å²	77	58.2 Å²	58.2	47%	0.472	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.6	178.9	-54.4	0	0	0	0	109.8	Y54 Q76	Y54-T63 WeakPolarHBondContact OH-CA 3.33Å; T63-Q76 PolarHBondContact N-O 3.42Å; T63-Q76 PolarHBondContact O-N 3.18Å
64	I	98.6	Very high	97.4	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.9	171.4	-167.7	169.4	0	0	0	109.5	A43 I45 T52 Y54 L73 Y74 L75	A43-I64 HydrophobicContact CB-CB 3.74Å; A43-I64 HydrophobicContact CB-CD1 3.93Å; A43-I64 HydrophobicContact CB-CG1 4.38Å; A43-I64 HydrophobicContact CB-CG2 3.94Å; I45-I64 HydrophobicContact CB-CD1 3.98Å; I45-I64 HydrophobicContact CB-CG1 4.22Å; I45-I64 HydrophobicContact CB-CG2 3.99Å; I45-I64 HydrophobicContact CG2-CD1 3.66Å; I45-I64 HydrophobicContact CG2-CG1 3.98Å; T52-I64 HydrophobicContact CG2-CG2 3.83Å; Y54-I64 HydrophobicContact CE1-CB 4.29Å; Y54-I64 HydrophobicContact CE1-CG2 3.95Å; Y54-I64 WeakPolarHBondContact OH-CG2 3.43Å; Y54-I64 PolarHBondContact OH-N 2.95Å; I64-L73 HydrophobicContact CD1-CD1 3.98Å; I64-L73 HydrophobicContact CD1-CD2 4.37Å; I64-L73 HydrophobicContact CD1-CG 4.43Å; I64-L73 HydrophobicContact CG1-CD1 3.99Å; I64-L73 HydrophobicContact CG1-CG 4.45Å; I64-Y74 WeakPolarHBondContact CA-O 3.34Å; I64-L75 HydrophobicContact CB-CD1 4.33Å
65	S	98.3	Very high	97.4	Very high	50 Å²	50	52.6 Å²	52.6	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.2	171.3	62.9	0	0	0	0	110.7	Y74	S65-Y74 PolarHBondContact N-O 3.03Å; S65-Y74 PolarHBondContact O-N 3.37Å
66	R	97.9	Very high	97.4	Very high	36 Å²	36	54.6 Å²	54.6	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148	-176.8	65.2	-179	-67.3	151.1	5.7	110.8	F23 Y26 I45 S46 S47 N68 T72 L73	F23-R66 VanDerWaalsContact CD1-NH2 3.32Å; F23-R66 HydrophobicContact CE1-CB 4.16Å; F23-R66 VanDerWaalsContact CE1-NH2 3.29Å; F23-R66 HydrophobicContact CZ-CB 4.22Å; F23-R66 PolarHBondContact O-NH2 2.92Å; Y26-R66 PolarHBondContact O-NH1 3.4Å; I45-R66 HydrophobicContact CD1-CB 4.33Å; I45-R66 HydrophobicContact CD1-CG 3.79Å; I45-R66 HydrophobicContact CG1-CG 4.46Å; S46-R66 PolarHBondContact O-NH1 3.33Å; S47-R66 VanDerWaalsContact C-NH1 3.32Å; S47-R66 PolarHBondContact O-NE 2.67Å; S47-R66 PolarHBondContact O-NH1 3.01Å; S47-R66 PolarHBondContact O-NH2 2.84Å; R66-N68 PolarHBondContact NE-OD1 3.33Å; R66-N68 PolarHBondContact NH2-OD1 2.81Å; R66-T72 WeakPolarHBondContact CA-O 3.26Å; R66-L73 HydrophobicContact CB-CD1 4.23Å
67	D	97.3	Very high	97.4	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.219	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.7	169.8	-175.5	-26.8	0	0	0	108.2	A69 K70 N71 T72 Y74	D67-A69 WeakPolarHBondContact OD1-CB 3.48Å; D67-A69 PolarHBondContact OD1-N 2.97Å; D67-K70 HydrophobicContact CB-CB 4.16Å; D67-K70 PolarHBondContact O-N 2.78Å; D67-K70 PolarHBondContact OD1-N 2.02Å; D67-K70 WeakPolarHBondContact OD2-CD 3.41Å; D67-K70 WeakPolarHBondContact OD2-CE 3.2Å; D67-K70 WeakPolarHBondContact OD2-CG 3.45Å; D67-K70 IonicContact OD2-NZ 3.36Å; D67-K70 PolarHBondContact OD2-NZ 2.89Å; D67-N71 PolarHBondContact O-N 2.96Å; D67-T72 PolarHBondContact N-O 2.91Å; D67-T72 PolarHBondContact O-N 3.27Å; D67-Y74 HydrophobicContact CB-CE2 3.97Å
68	N	96.4	Very high	97.5	Very high	63 Å²	63	47.1 Å²	47.1	34%	0.337	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-28.9	-177.9	-75.3	-13.5	0	0	0	113	F23 R66 K70 N71	F23-N68 WeakPolarHBondContact CE1-OD1 3.29Å; R66-N68 PolarHBondContact NE-OD1 3.33Å; R66-N68 PolarHBondContact NH2-OD1 2.81Å; N68-K70 VanDerWaalsContact C-N 3.3Å; N68-N71 PolarHBondContact O-OD1 3.32Å
69	A	96	Very high	97.4	Very high	96 Å²	96	50.4 Å²	50.4	79%	0.793	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.3	176.9	0	0	0	0	0	111	D67	D67-A69 WeakPolarHBondContact OD1-CB 3.48Å; D67-A69 PolarHBondContact OD1-N 2.97Å
70	K	97.1	Very high	97.3	Very high	132 Å²	132	44.9 Å²	44.9	57%	0.574	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	1.5	178.9	-60.9	-178.1	-167	156.7	0	114.5	D67 N68 T72	D67-K70 HydrophobicContact CB-CB 4.16Å; D67-K70 PolarHBondContact O-N 2.78Å; D67-K70 PolarHBondContact OD1-N 2.02Å; D67-K70 WeakPolarHBondContact OD2-CD 3.41Å; D67-K70 WeakPolarHBondContact OD2-CE 3.2Å; D67-K70 WeakPolarHBondContact OD2-CG 3.45Å; D67-K70 IonicContact OD2-NZ 3.36Å; D67-K70 PolarHBondContact OD2-NZ 2.89Å; N68-K70 VanDerWaalsContact C-N 3.3Å; K70-T72 PolarHBondContact O-N 2.85Å; K70-T72 VanDerWaalsContact O-N 3.1Å; K70-T72 PolarHBondContact O-OG1 2.69Å
71	N	97.1	Very high	97.1	Very high	63 Å²	63	45.9 Å²	45.9	34%	0.337	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	38.4	-172.8	-60.7	-38.3	0	0	0	113	A18 F23 D67 N68	A18-N71 PolarHBondContact N-O 2.81Å; F23-N71 HydrophobicContact CB-CB 3.92Å; F23-N71 WeakPolarHBondContact CB-OD1 3.45Å; F23-N71 HydrophobicContact CG-CB 4.19Å; D67-N71 PolarHBondContact O-N 2.96Å; N68-N71 PolarHBondContact O-OD1 3.32Å
72	T	98.1	Very high	96.8	Very high	16 Å²	16	48.1 Å²	48.1	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.6	-170.8	-58	0	0	0	0	111.5	C16 R66 D67 K70 Y74	C16-T72 CarbonylContact O-C 3.54Å; C16-T72 WeakPolarHBondContact O-CA 3.43Å; R66-T72 WeakPolarHBondContact CA-O 3.26Å; D67-T72 PolarHBondContact N-O 2.91Å; D67-T72 PolarHBondContact O-N 3.27Å; K70-T72 PolarHBondContact O-N 2.85Å; K70-T72 VanDerWaalsContact O-N 3.1Å; K70-T72 PolarHBondContact O-OG1 2.69Å; T72-Y74 HydrophobicContact CG2-CD1 4.12Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.49Å; T72-Y74 VanDerWaalsContact CG2-CE1 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.82Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.5Å
73	L	98.5	Very high	96.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139	170.7	-168.2	70.8	0	0	0	109.8	S15 C16 F23 M28 W30 I45 I64 R66 C90	S15-L73 CarbonylContact C-O 3.59Å; S15-L73 WeakPolarHBondContact CA-O 3.26Å; C16-L73 HydrophobicContact CB-CB 4.41Å; C16-L73 PolarHBondContact N-O 2.47Å; C16-L73 PolarHBondContact O-N 3.13Å; F23-L73 HydrophobicContact CE2-CB 4.36Å; F23-L73 HydrophobicContact CZ-CB 4.23Å; M28-L73 HydrophobicContact CB-CD1 3.76Å; M28-L73 HydrophobicContact CB-CD2 3.96Å; M28-L73 HydrophobicContact CB-CG 4.42Å; W30-L73 HydrophobicContact CD2-CD2 4.4Å; W30-L73 HydrophobicContact CG-CD2 4.29Å; W30-L73 VanDerWaalsContact NE1-CD2 3.33Å; I45-L73 HydrophobicContact CG2-CD1 3.61Å; I64-L73 HydrophobicContact CD1-CD1 3.98Å; I64-L73 HydrophobicContact CD1-CD2 4.37Å; I64-L73 HydrophobicContact CD1-CG 4.43Å; I64-L73 HydrophobicContact CG1-CD1 3.99Å; I64-L73 HydrophobicContact CG1-CG 4.45Å; R66-L73 HydrophobicContact CB-CD1 4.23Å; L73-C90 HydrophobicContact CD2-CB 4.08Å
74	Y	98.4	Very high	96.3	Very high	43 Å²	43	50.2 Å²	50.2	17%	0.169	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	177.4	-57	-78.1	0	0	0	111.2	L14 W30 I64 S65 D67 T72	L14-Y74 VanDerWaalsContact O-CA 3.27Å; L14-Y74 WeakPolarHBondContact O-CA 3.1Å; W30-Y74 PolarHBondContact NE1-O 2.8Å; I64-Y74 WeakPolarHBondContact CA-O 3.34Å; S65-Y74 PolarHBondContact N-O 3.03Å; S65-Y74 PolarHBondContact O-N 3.37Å; D67-Y74 HydrophobicContact CB-CE2 3.97Å; T72-Y74 HydrophobicContact CG2-CD1 4.12Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.49Å; T72-Y74 VanDerWaalsContact CG2-CE1 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.82Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.5Å
75	L	98.5	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109.1	167.4	-171.4	67	0	0	0	108.5	K13 L14 W30 V42 A43 F62 I64 M77 Y88	K13-L75 CarbonylContact C-O 3.51Å; K13-L75 WeakPolarHBondContact CA-O 3.34Å; L14-L75 HydrophobicContact CB-CB 4.24Å; L14-L75 HydrophobicContact CD1-CD2 4.34Å; L14-L75 PolarHBondContact N-O 2.99Å; L14-L75 PolarHBondContact O-N 2.77Å; W30-L75 HydrophobicContact CB-CD2 4.23Å; W30-L75 HydrophobicContact CD2-CB 4.12Å; W30-L75 HydrophobicContact CD2-CD2 4.3Å; W30-L75 HydrophobicContact CG-CB 4.12Å; W30-L75 HydrophobicContact CG-CD1 4.43Å; W30-L75 HydrophobicContact CG-CD2 4.03Å; W30-L75 HydrophobicContact CG-CG 4.44Å; W30-L75 HydrophobicContact CZ2-CB 4.3Å; V42-L75 HydrophobicContact CG1-CD2 3.89Å; A43-L75 HydrophobicContact CB-CD1 4.19Å; F62-L75 HydrophobicContact CB-CD1 4.25Å; F62-L75 HydrophobicContact CD2-CD2 4.28Å; I64-L75 HydrophobicContact CB-CD1 4.33Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 3.83Å; L75-M77 HydrophobicContact CG-CG 3.8Å; L75-M77 HydrophobicContact CG-SD 4.48Å; L75-Y88 HydrophobicContact CD2-CD1 4.23Å; L75-Y88 HydrophobicContact CD2-CE1 4.3Å
76	Q	98.1	Very high	95.9	Very high	65 Å²	65	53.8 Å²	53.8	30%	0.304	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.5	166.6	-176.8	63.5	43.2	0	0	107.8	F62 T63	F62-Q76 CarbonylContact C-O 3.55Å; F62-Q76 VanDerWaalsContact CA-O 3.26Å; F62-Q76 WeakPolarHBondContact CA-O 3.33Å; T63-Q76 PolarHBondContact N-O 3.42Å; T63-Q76 PolarHBondContact O-N 3.18Å
77	M	96.9	Very high	95.8	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.025	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.5	177	-55.2	-168.3	-51.9	0	0	108.3	S11 L12 L14 F62 L75 L80 Y88	S11-M77 CarbonylContact C-O 3.57Å; S11-M77 WeakPolarHBondContact CA-O 3.29Å; S11-M77 WeakPolarHBondContact CB-O 3.39Å; L12-M77 HydrophobicContact CB-CE 3.82Å; L12-M77 HydrophobicContact CD2-CE 3.75Å; L12-M77 HydrophobicContact CG-CE 4.11Å; L12-M77 PolarHBondContact N-O 3.03Å; L12-M77 PolarHBondContact O-N 3Å; L14-M77 HydrophobicContact CD1-CE 4.3Å; L14-M77 HydrophobicContact CD1-SD 4.22Å; L14-M77 HydrophobicContact CG-CE 4.32Å; F62-M77 HydrophobicContact CD1-CB 3.76Å; F62-M77 HydrophobicContact CD1-CG 4.07Å; F62-M77 HydrophobicContact CD2-CG 4.02Å; F62-M77 HydrophobicContact CD2-SD 4.28Å; F62-M77 HydrophobicContact CE1-CB 3.65Å; F62-M77 HydrophobicContact CE1-CG 4.07Å; F62-M77 HydrophobicContact CE1-SD 4.44Å; F62-M77 HydrophobicContact CE2-CB 4.47Å; F62-M77 HydrophobicContact CE2-CG 3.99Å; F62-M77 HydrophobicContact CE2-SD 3.74Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.08Å; F62-M77 HydrophobicContact CZ-CB 4.03Å; F62-M77 HydrophobicContact CZ-CG 4.03Å; F62-M77 HydrophobicContact CZ-SD 3.84Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 3.83Å; L75-M77 HydrophobicContact CG-CG 3.8Å; L75-M77 HydrophobicContact CG-SD 4.48Å; M77-L80 HydrophobicContact CB-CD2 3.98Å; M77-L80 HydrophobicContact CB-CG 4.31Å; M77-L80 HydrophobicContact CE-CD1 4.24Å; M77-L80 HydrophobicContact CE-CD2 3.75Å; M77-L80 HydrophobicContact SD-CD2 4.24Å; M77-Y88 HydrophobicContact SD-CE1 4.02Å
78	S	95.6	Very high	95.8	Very high	40 Å²	40	57 Å²	57	28%	0.28	32%	0.316	S	S	.	.			trans	-114.4	158.2	176.5	-55.7	0	0	0	0	110.1	R61 L80	R61-S78 WeakPolarHBondContact CB-O 3.03Å; R61-S78 WeakPolarHBondContact O-CB 3.01Å; R61-S78 PolarHBondContact O-N 2.8Å; S78-L80 VanDerWaalsContact C-N 3.3Å; S78-L80 PolarHBondContact O-N 3.34Å
79	S	94.7	Very high	95.8	Very high	70 Å²	70	58.9 Å²	58.9	49%	0.49	32%	0.32	S	S	.	.	S	Bend	trans	50.6	51.1	177.8	-53.8	0	0	0	0	112	G10 R61	G10-S79 PolarHBondContact O-N 3.35Å; R61-S79 PolarHBondContact NH1-O 2.88Å
80	L	94.7	Very high	95.8	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.099	30%	0.298	C	S	.	.			trans	-60.2	138.2	-177.8	-80.6	166.2	0	0	0	111.6	V6 G9 G10 L12 F62 M77 S78 D84	V6-L80 HydrophobicContact CB-CD1 4.13Å; V6-L80 HydrophobicContact CG1-CD1 4.02Å; G9-L80 PolarHBondContact N-O 2.97Å; G10-L80 PolarHBondContact O-N 3.3Å; G10-L80 VanDerWaalsContact O-N 3.1Å; L12-L80 HydrophobicContact CB-CD1 3.96Å; F62-L80 HydrophobicContact CE1-CD2 4.08Å; F62-L80 HydrophobicContact CZ-CD2 3.96Å; M77-L80 HydrophobicContact CB-CD2 3.98Å; M77-L80 HydrophobicContact CB-CG 4.31Å; M77-L80 HydrophobicContact CE-CD1 4.24Å; M77-L80 HydrophobicContact CE-CD2 3.75Å; M77-L80 HydrophobicContact SD-CD2 4.24Å; S78-L80 VanDerWaalsContact C-N 3.3Å; S78-L80 PolarHBondContact O-N 3.34Å; L80-D84 HydrophobicContact CD2-CB 3.82Å
81	K	93.9	Very high	95.7	Very high	105 Å²	105	52 Å²	52	46%	0.457	28%	0.283	S	S	.	.			trans	-113.6	165.2	176.2	-54	179.8	-179.2	-179.3	0	110.3	E83 D84	K81-E83 WeakPolarHBondContact CB-OE2 3.34Å; K81-E83 WeakPolarHBondContact CD-OE2 3.31Å; K81-E83 PolarHBondContact O-N 3.48Å; K81-D84 PolarHBondContact N-OD2 2.83Å; K81-D84 WeakPolarHBondContact O-CB 3.34Å; K81-D84 PolarHBondContact O-N 3.04Å
82	S	90.7	Very high	95.6	Very high	80 Å²	80	54.3 Å²	54.3	56%	0.559	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54.2	-39.4	173.3	26.2	0	0	0	0	112.2	D84 T85	S82-D84 PolarHBondContact O-N 3.18Å; S82-D84 VanDerWaalsContact O-N 3.16Å; S82-T85 WeakPolarHBondContact O-CB 3.48Å; S82-T85 PolarHBondContact O-N 3.36Å; S82-T85 VanDerWaalsContact O-N 3.11Å; S82-T85 PolarHBondContact O-OG1 2.84Å; S82-T85 VanDerWaalsContact O-OG1 3.1Å
83	E	91.4	Very high	95	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.551	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12.9	-179.5	-50.2	75.8	-122.3	0	0	113.3	K81 T85	K81-E83 WeakPolarHBondContact CB-OE2 3.34Å; K81-E83 WeakPolarHBondContact CD-OE2 3.31Å; K81-E83 PolarHBondContact O-N 3.48Å; E83-T85 VanDerWaalsContact C-N 3.29Å
84	D	93.4	Very high	93.4	Very high	7 Å²	7	63 Å²	63	4%	0.037	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-85.4	-3	176.3	-59	-47.1	0	0	0	113	R32 R61 F62 L80 K81 S82 A86 Y88	R32-D84 IonicContact NH1-OD1 3.13Å; R32-D84 PolarHBondContact NH1-OD1 2.96Å; R32-D84 VanDerWaalsContact NH1-OD1 3.09Å; R61-D84 IonicContact CZ-OD1 3.89Å; R61-D84 IonicContact CZ-OD2 3.37Å; R61-D84 IonicContact NH1-OD1 2.96Å; R61-D84 IonicContact NH1-OD2 2.67Å; R61-D84 PolarHBondContact NH1-OD2 3.32Å; R61-D84 IonicContact NH2-OD1 3.18Å; R61-D84 PolarHBondContact NH2-OD1 2.97Å; R61-D84 IonicContact NH2-OD2 2.65Å; R61-D84 PolarHBondContact NH2-OD2 2.88Å; F62-D84 HydrophobicContact CZ-CB 4.1Å; L80-D84 HydrophobicContact CD2-CB 3.82Å; K81-D84 PolarHBondContact N-OD2 2.83Å; K81-D84 WeakPolarHBondContact O-CB 3.34Å; K81-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact O-N 3.18Å; S82-D84 VanDerWaalsContact O-N 3.16Å; D84-A86 PolarHBondContact O-N 2.76Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-Y88 WeakPolarHBondContact O-CE2 3.34Å; D84-Y88 PolarHBondContact O-OH 3.04Å
85	T	93.1	Very high	91.4	Very high	103 Å²	103	64.8 Å²	64.8	63%	0.632	35%	0.353	S	S	*	.			trans	-71.2	107.8	176.7	-59.5	0	0	0	0	110.1	S82 E83	S82-T85 WeakPolarHBondContact O-CB 3.48Å; S82-T85 PolarHBondContact O-N 3.36Å; S82-T85 VanDerWaalsContact O-N 3.11Å; S82-T85 PolarHBondContact O-OG1 2.84Å; S82-T85 VanDerWaalsContact O-OG1 3.1Å; E83-T85 VanDerWaalsContact C-N 3.29Å
86	A	95.1	Very high	89.2	Confident	28 Å²	28	73.9 Å²	73.9	23%	0.231	42%	0.417	C	S	.	.	S	Bend	trans	-160.5	168.2	-176.4	0	0	0	0	0	109.9	R32 Q33 T34 D84 Y88	R32-A86 HydrophobicContact CB-CB 3.81Å; R32-A86 HydrophobicContact CG-CB 4.1Å; Q33-A86 WeakPolarHBondContact O-CB 3.06Å; T34-A86 HydrophobicContact CG2-CB 4.47Å; D84-A86 PolarHBondContact O-N 2.76Å; D84-A86 VanDerWaalsContact O-N 3.15Å; A86-Y88 HydrophobicContact CB-CD2 4.46Å; A86-Y88 HydrophobicContact CB-CE2 3.95Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CE2 3.37Å
87	M	96.3	Very high	88.7	Confident	108 Å²	108	74.4 Å²	74.4	53%	0.532	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.5	165.5	-170.8	60	66.2	0	0	109.3	R32 Q33 Y89	R32-M87 CarbonylContact C-O 3.47Å; R32-M87 WeakPolarHBondContact CA-O 3.42Å; Q33-M87 PolarHBondContact N-O 2.88Å; Q33-M87 PolarHBondContact O-N 3.04Å; M87-Y89 HydrophobicContact CB-CE2 3.89Å; M87-Y89 HydrophobicContact CG-CD2 4.44Å; M87-Y89 HydrophobicContact CG-CE1 3.95Å; M87-Y89 HydrophobicContact CG-CE2 3.59Å; M87-Y89 WeakPolarHBondContact CG-OH 3.38Å
88	Y	97	Very high	88.3	Confident	36 Å²	36	78 Å²	78	14%	0.141	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.1	-177.7	-72.6	-103	0	0	0	111.1	L14 R32 V42 L75 M77 D84 A86	L14-Y88 HydrophobicContact CD1-CD1 3.99Å; L14-Y88 HydrophobicContact CD1-CD2 4.23Å; L14-Y88 HydrophobicContact CD1-CG 3.69Å; R32-Y88 HydrophobicContact CB-CD1 3.87Å; R32-Y88 HydrophobicContact CB-CD2 4.45Å; R32-Y88 HydrophobicContact CB-CE1 3.81Å; R32-Y88 HydrophobicContact CB-CE2 4.39Å; R32-Y88 HydrophobicContact CB-CG 4.19Å; R32-Y88 HydrophobicContact CG-CE1 4.48Å; V42-Y88 HydrophobicContact CG1-CE1 4.23Å; V42-Y88 HydrophobicContact CG2-CD1 4.3Å; V42-Y88 HydrophobicContact CG2-CE1 3.93Å; L75-Y88 HydrophobicContact CD2-CD1 4.23Å; L75-Y88 HydrophobicContact CD2-CE1 4.3Å; M77-Y88 HydrophobicContact SD-CE1 4.02Å; D84-Y88 WeakPolarHBondContact O-CE2 3.34Å; D84-Y88 PolarHBondContact O-OH 3.04Å; A86-Y88 HydrophobicContact CB-CD2 4.46Å; A86-Y88 HydrophobicContact CB-CE2 3.95Å; A86-Y88 VanDerWaalsContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CD2 3.27Å; A86-Y88 WeakPolarHBondContact O-CE2 3.37Å
89	Y	97	Very high	87.9	Confident	103 Å²	103	80.1 Å²	80.1	40%	0.404	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.6	-179.2	-55.6	-84	0	0	0	109.9	W30 V31 Q33 M87	W30-Y89 WeakPolarHBondContact CA-O 3.27Å; V31-Y89 PolarHBondContact N-O 2.87Å; V31-Y89 PolarHBondContact O-N 3.09Å; Q33-Y89 HydrophobicContact CB-CE2 3.78Å; M87-Y89 HydrophobicContact CB-CE2 3.89Å; M87-Y89 HydrophobicContact CG-CD2 4.44Å; M87-Y89 HydrophobicContact CG-CE1 3.95Å; M87-Y89 HydrophobicContact CG-CE2 3.59Å; M87-Y89 WeakPolarHBondContact CG-OH 3.38Å
90	C	96	Very high	87.5	Confident	49 Å²	49	80.7 Å²	80.7	33%	0.331	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.9	164.5	50.3	0	0	0	0	109.6	C16 S29 W30 L73	C16-C90 HydrophobicContact CB-CB 3.46Å; C16-C90 VanDerWaalsContact CB-CB 3.46Å; C16-C90 WeakPolarHBondContact CB-SG 3.46Å; C16-C90 WeakPolarHBondContact SG-CB 3.48Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.04Å; S29-C90 CarbonylContact O-C 3.5Å; S29-C90 WeakPolarHBondContact O-CA 3.5Å; W30-C90 HydrophobicContact CZ3-CB 4.47Å; L73-C90 HydrophobicContact CD2-CB 4.08Å
91	A	95.9	Very high	87	Confident	33 Å²	33	84.6 Å²	84.6	27%	0.273	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138	178.9	0	0	0	0	0	110	M28 S29 V31	M28-A91 WeakPolarHBondContact CA-O 3.49Å; S29-A91 PolarHBondContact N-O 3.1Å; S29-A91 PolarHBondContact O-N 3.45Å; V31-A91 HydrophobicContact CG2-CB 4.13Å
92	R	94.7	Very high	86.6	Confident	113 Å²	113	83.2 Å²	83.2	43%	0.426	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.2	169.9	-175.8	-176.9	71.7	-177.7	0.2	108.5	F21 Y26 M28	F21-R92 VanDerWaalsContact CB-NH1 3.32Å; F21-R92 VanDerWaalsContact CE2-CD 3.45Å; F21-R92 HydrophobicContact CE2-CG 4.02Å; F21-R92 HydrophobicContact CZ-CB 4.32Å; F21-R92 HydrophobicContact CZ-CG 4.28Å; Y26-R92 HydrophobicContact CD1-CG 3.71Å; Y26-R92 HydrophobicContact CD2-CG 4.38Å; Y26-R92 HydrophobicContact CE1-CG 4.47Å; Y26-R92 HydrophobicContact CG-CG 3.65Å; M28-R92 HydrophobicContact CE-CB 4.2Å; M28-R92 HydrophobicContact SD-CB 3.91Å; M28-R92 HydrophobicContact SD-CG 3.96Å
93	H	84.9	Confident	86.3	Confident	104 Å²	104	83.4 Å²	83.4	48%	0.481	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-67.5	132.6	171.5	-161.6	-82.7	0	0	0	109.1	Y26 G27 S95	Y26-H93 WeakPolarHBondContact CD1-O 3.36Å; G27-H93 WeakPolarHBondContact O-CB 3.12Å; G27-H93 PolarHBondContact O-N 2.97Å; H93-S95 PolarHBondContact O-N 3.04Å
94	P	64.8	Low	85.9	Confident	95 Å²	95	80.8 Å²	80.8	62%	0.617	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58.3	124.3	169.4	-17.3	29.3	0	0	0	108.4	S96	P94-S96 PolarHBondContact O-N 3.36Å
95	S	56.9	Low	85.2	Confident	79 Å²	79	86.9 Å²	86.9	55%	0.552	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-68.1	124.8	159	50.6	0	0	0	0	106.3	Y26 H93	Y26-S95 WeakPolarHBondContact CE1-OG 3.21Å; H93-S95 PolarHBondContact O-N 3.04Å
96	S	51.4	Low	84.5	Confident	192 Å²	192	85.5 Å²	85.5	100%	1.343	49%	0.485	S	S	*	.			trans	-53.8	0	166.2	-47.3	0	0	0	0	110.9	P94	P94-S96 PolarHBondContact O-N 3.36Å

Retrieved 96 of 96 residues in 33.2 ms (Link to these results)

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