X5J5H8_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5H8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 93 aa.

						>X5J5H8_MOUSE|X5J5H8
ELARPGASVKMSCKASGYTFTSYTMHWVKQRPGQGLEWIGYINPSSGYTNYNQKFKDKATLTADKSSSTAYMQLSSLTSEDFAVYYCARNAWG
					

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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	E	63.2	Low	87.2	Confident	185 Å²	185	95.4 Å²	95.4	86%	0.864	52%	0.523	S	S	*	.				0	135.7	0	-166.3	173.4	160.1	0	0	108.2	V9	E1-V9 HydrophobicContact CB-CG2 3.9Å; E1-V9 HydrophobicContact CG-CG2 4.17Å; E1-V9 VanDerWaalsContact OE2-CG2 3.29Å; E1-V9 WeakPolarHBondContact OE2-CG2 3.38Å
2	L	75.7	Confident	88.1	Confident	169 Å²	169	94.5 Å²	94.5	89%	0.885	53%	0.529	S	S	*	.			trans	-96	117.7	174.6	-70.2	171	0	0	0	107.6
3	A	81.6	Confident	88.8	Confident	46 Å²	46	88.3 Å²	88.3	38%	0.38	50%	0.496	S	S	.	.			trans	-118.8	150.1	-177.6	0	0	0	0	0	110.6	A7 L77	A3-A7 HydrophobicContact CB-CB 4.34Å; A3-L77 HydrophobicContact CB-CD1 3.54Å
4	R	84.2	Confident	89.5	Confident	212 Å²	212	93.6 Å²	93.6	80%	0.8	51%	0.511	S	S	*	.			trans	-73.5	151.8	175.3	-62.7	-178.2	-176.3	-169.1	0.8	110.1	G6 A7	R4-G6 PolarHBondContact O-N 3.26Å; R4-A7 WeakPolarHBondContact O-CB 3.46Å; R4-A7 PolarHBondContact O-N 3.3Å; R4-A7 VanDerWaalsContact O-N 3.08Å
5	P	86.9	Confident	90	Very high	117 Å²	117	88 Å²	88	76%	0.76	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	140	169.4	-25.3	34.5	0	0	0	111.5	A7 L77	P5-A7 PolarHBondContact O-N 3.02Å; P5-L77 WeakPolarHBondContact CA-O 3.33Å
6	G	89.3	Confident	90.4	Very high	54 Å²	54	88.9 Å²	88.9	56%	0.557	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-13	-176.4	0	0	0	0	0	115.2	R4 L77	R4-G6 PolarHBondContact O-N 3.26Å; G6-L77 PolarHBondContact N-O 3.12Å
7	A	93.6	Very high	90.7	Very high	36 Å²	36	88.8 Å²	88.8	30%	0.298	52%	0.521	S	S	.	.			trans	-71.1	170	175.4	0	0	0	0	0	111.9	A3 R4 P5 S76 L77	A3-A7 HydrophobicContact CB-CB 4.34Å; R4-A7 WeakPolarHBondContact O-CB 3.46Å; R4-A7 PolarHBondContact O-N 3.3Å; R4-A7 VanDerWaalsContact O-N 3.08Å; P5-A7 PolarHBondContact O-N 3.02Å; A7-S76 PolarHBondContact O-N 2.99Å; A7-L77 VanDerWaalsContact O-CG 3.31Å; A7-L77 WeakPolarHBondContact O-CG 3.42Å; A7-L77 PolarHBondContact O-N 3.16Å
8	S	95.1	Very high	90.8	Very high	62 Å²	62	86.9 Å²	86.9	43%	0.434	50%	0.503	S	S	.	.			trans	-109.6	147.7	167.8	-57.3	0	0	0	0	110	L74	S8-L74 CarbonylContact C-O 3.6Å; S8-L74 WeakPolarHBondContact CA-O 3.21Å; S8-L74 WeakPolarHBondContact CB-O 3.42Å
9	V	95.5	Very high	91.1	Very high	14 Å²	14	86.9 Å²	86.9	9%	0.085	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.4	176.1	66.5	0	0	0	0	109.7	E1 M11 Q73 L74 L77	E1-V9 HydrophobicContact CB-CG2 3.9Å; E1-V9 HydrophobicContact CG-CG2 4.17Å; E1-V9 VanDerWaalsContact OE2-CG2 3.29Å; E1-V9 WeakPolarHBondContact OE2-CG2 3.38Å; V9-M11 HydrophobicContact CG1-CE 4.29Å; V9-Q73 CarbonylContact O-C 3.58Å; V9-Q73 VanDerWaalsContact O-CA 3.27Å; V9-Q73 WeakPolarHBondContact O-CA 3.35Å; V9-L74 HydrophobicContact CG1-CB 4.02Å; V9-L74 PolarHBondContact N-O 2.91Å; V9-L74 PolarHBondContact O-N 3.5Å; V9-L77 HydrophobicContact CB-CD1 4.02Å; V9-L77 HydrophobicContact CG1-CD1 3.8Å; V9-L77 HydrophobicContact CG1-CD2 4.13Å; V9-L77 HydrophobicContact CG1-CG 4.44Å
10	K	96.8	Very high	91.3	Very high	115 Å²	115	82.9 Å²	82.9	50%	0.5	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.4	176.3	-174.4	177.3	179.6	178.7	0	109.9	Y71 M72	K10-Y71 HydrophobicContact CD-CD1 4.48Å; K10-Y71 HydrophobicContact CG-CD1 4.43Å; K10-M72 WeakPolarHBondContact CA-O 3.36Å
11	M	97.1	Very high	91.6	Very high	39 Å²	39	81.2 Å²	81.2	19%	0.192	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.6	175.5	-68.9	172.2	-84.5	0	0	110.5	V9 W27 Y71 M72 L74 Y85	V9-M11 HydrophobicContact CG1-CE 4.29Å; M11-W27 HydrophobicContact CB-CH2 4.08Å; M11-W27 HydrophobicContact CB-CZ3 3.98Å; M11-Y71 CarbonylContact O-C 3.49Å; M11-Y71 WeakPolarHBondContact O-CA 3.46Å; M11-Y71 WeakPolarHBondContact O-CB 3.37Å; M11-M72 HydrophobicContact CE-CE 3.2Å; M11-M72 PolarHBondContact N-O 3.06Å; M11-M72 PolarHBondContact O-N 2.86Å; M11-M72 HydrophobicContact SD-CE 4.26Å; M11-L74 HydrophobicContact CE-CD1 3.65Å; M11-L74 HydrophobicContact CE-CG 4.07Å; M11-Y85 HydrophobicContact CE-CD1 4.21Å; M11-Y85 HydrophobicContact CE-CD2 4.15Å; M11-Y85 HydrophobicContact CE-CG 3.99Å; M11-Y85 HydrophobicContact SD-CD2 3.89Å; M11-Y85 HydrophobicContact SD-CG 3.81Å
12	S	98.1	Very high	93.1	Very high	85 Å²	85	75.2 Å²	75.2	59%	0.594	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.4	176.3	63.3	0	0	0	0	111.2	A70 Y71	S12-A70 CarbonylContact C-O 3.55Å; S12-A70 WeakPolarHBondContact CA-O 3.2Å; S12-Y71 VanDerWaalsContact CB-CE1 3.48Å
13	C	98.1	Very high	94.1	Very high	14 Å²	14	70 Å²	70	10%	0.095	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	101.7	174.7	177.5	0	0	0	0	108.4	W27 T69 A70 C87	C13-W27 HydrophobicContact CB-CH2 3.87Å; C13-W27 HydrophobicContact CB-CZ2 4.01Å; C13-T69 WeakPolarHBondContact O-CA 3.42Å; C13-A70 HydrophobicContact CB-CB 4.49Å; C13-A70 PolarHBondContact N-O 2.81Å; C13-A70 PolarHBondContact O-N 2.82Å; C13-C87 HydrophobicContact CB-CB 3.53Å; C13-C87 WeakPolarHBondContact CB-SG 3.45Å; C13-C87 WeakPolarHBondContact SG-CB 3.35Å; C13-C87 CovalentContact SG-SG 2.03Å; C13-C87 PolarHBondContact SG-SG 3.35Å
14	K	98.1	Very high	94.8	Very high	162 Å²	162	68.1 Å²	68.1	70%	0.704	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	121.5	-178.8	-174.5	172.4	-176.4	178.2	0	110.2	T69	K14-T69 HydrophobicContact CB-CG2 4.43Å
15	A	96.6	Very high	95.5	Very high	10 Å²	10	58.1 Å²	58.1	8%	0.083	37%	0.366	C	S	.	.			trans	-80.3	149.2	174.9	0	0	0	0	0	111.3	Y18 F20 S68	A15-Y18 HydrophobicContact CB-CE1 3.86Å; A15-Y18 HydrophobicContact CB-CE2 4.03Å; A15-Y18 VanDerWaalsContact CB-CZ 3.44Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.31Å; A15-F20 HydrophobicContact CB-CB 4.34Å; A15-F20 HydrophobicContact CB-CD2 3.42Å; A15-F20 VanDerWaalsContact CB-CD2 3.42Å; A15-F20 HydrophobicContact CB-CE2 4.02Å; A15-F20 HydrophobicContact CB-CG 4.19Å; A15-S68 WeakPolarHBondContact CB-O 2.98Å; A15-S68 PolarHBondContact N-O 3.48Å
16	S	96.1	Very high	96	Very high	102 Å²	102	54.4 Å²	54.4	71%	0.713	34%	0.338	S	S	*	.			trans	-152.1	150.5	172.5	60	0	0	0	0	110.4	Y18	S16-Y18 WeakPolarHBondContact O-CD1 3.34Å; S16-Y18 WeakPolarHBondContact O-CE1 3.36Å
17	G	95.9	Very high	96.4	Very high	88 Å²	88	52.1 Å²	52.1	91%	0.907	31%	0.313	S	S	*	.	S	Bend	trans	79	14.5	177	0	0	0	0	0	115.8
18	Y	93.1	Very high	96.7	Very high	54 Å²	54	51.5 Å²	51.5	21%	0.212	31%	0.305	C	S	.	.	S	Bend	trans	-160.4	164.8	174.7	61	-82.1	0	0	0	111.8	A15 S16 F20 Y23	A15-Y18 HydrophobicContact CB-CE1 3.86Å; A15-Y18 HydrophobicContact CB-CE2 4.03Å; A15-Y18 VanDerWaalsContact CB-CZ 3.44Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.31Å; S16-Y18 WeakPolarHBondContact O-CD1 3.34Å; S16-Y18 WeakPolarHBondContact O-CE1 3.36Å; Y18-F20 PolarHBondContact O-N 2.75Å; Y18-F20 VanDerWaalsContact O-N 3.12Å; Y18-Y23 AromaticContact CD2-CD2 3.4Å; Y18-Y23 HydrophobicContact CD2-CD2 3.4Å; Y18-Y23 VanDerWaalsContact CD2-CD2 3.4Å; Y18-Y23 AromaticContact CD2-CE2 3.57Å; Y18-Y23 HydrophobicContact CD2-CE2 3.57Å; Y18-Y23 HydrophobicContact CD2-CG 4.26Å; Y18-Y23 AromaticContact CE2-CD2 3.74Å; Y18-Y23 HydrophobicContact CE2-CD2 3.74Å; Y18-Y23 HydrophobicContact CE2-CE2 4.3Å; Y18-Y23 HydrophobicContact CE2-CG 4.18Å; Y18-Y23 HydrophobicContact CG-CD2 4.42Å; Y18-Y23 HydrophobicContact CG-CE2 4.19Å
19	T	95.5	Very high	96.8	Very high	87 Å²	87	48.6 Å²	48.6	53%	0.534	29%	0.285	S	S	.	.			trans	-70.1	103.1	171.4	-55.7	0	0	0	0	109.9	T21 S22	T19-T21 WeakPolarHBondContact CG2-OG1 3.42Å; T19-T21 PolarHBondContact O-N 2.99Å; T19-T21 VanDerWaalsContact O-N 3.16Å; T19-S22 WeakPolarHBondContact CB-OG 3Å; T19-S22 WeakPolarHBondContact CG2-OG 3.46Å; T19-S22 WeakPolarHBondContact O-CB 3.24Å; T19-S22 PolarHBondContact O-N 2.7Å
20	F	96.3	Very high	96.8	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37.5	-174.5	177.8	-123.2	0	0	0	114	A15 Y18 S22 M25 P44 A63 A70	A15-F20 HydrophobicContact CB-CB 4.34Å; A15-F20 HydrophobicContact CB-CD2 3.42Å; A15-F20 VanDerWaalsContact CB-CD2 3.42Å; A15-F20 HydrophobicContact CB-CE2 4.02Å; A15-F20 HydrophobicContact CB-CG 4.19Å; Y18-F20 PolarHBondContact O-N 2.75Å; Y18-F20 VanDerWaalsContact O-N 3.12Å; F20-S22 PolarHBondContact O-N 3.21Å; F20-M25 HydrophobicContact CD2-CG 4.43Å; F20-M25 HydrophobicContact CD2-SD 4.36Å; F20-M25 HydrophobicContact CE2-CG 3.55Å; F20-M25 HydrophobicContact CE2-SD 3.87Å; F20-M25 HydrophobicContact CZ-CG 4.1Å; F20-P44 HydrophobicContact CD1-CB 3.79Å; F20-P44 HydrophobicContact CD1-CG 4.23Å; F20-P44 HydrophobicContact CD2-CG 4.4Å; F20-P44 HydrophobicContact CE1-CB 3.46Å; F20-P44 VanDerWaalsContact CE1-CB 3.46Å; F20-P44 HydrophobicContact CE1-CG 3.81Å; F20-P44 HydrophobicContact CE2-CG 4Å; F20-P44 HydrophobicContact CG-CB 4.48Å; F20-P44 HydrophobicContact CZ-CB 3.87Å; F20-P44 HydrophobicContact CZ-CG 3.67Å; F20-A63 HydrophobicContact CE1-CB 4.17Å; F20-A63 HydrophobicContact CZ-CB 4.25Å; F20-A70 HydrophobicContact CE2-CB 4.4Å; F20-A70 HydrophobicContact CZ-CB 4.03Å
21	T	96.3	Very high	96.7	Very high	49 Å²	49	47.9 Å²	47.9	30%	0.301	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-74.2	-10.1	-179.5	50.4	0	0	0	0	114.3	T19 Y23 K65	T19-T21 WeakPolarHBondContact CG2-OG1 3.42Å; T19-T21 PolarHBondContact O-N 2.99Å; T19-T21 VanDerWaalsContact O-N 3.16Å; T21-Y23 VanDerWaalsContact C-N 3.28Å; T21-Y23 PolarHBondContact O-N 3.24Å; T21-K65 HydrophobicContact CG2-CD 4.42Å; T21-K65 HydrophobicContact CG2-CG 4.17Å
22	S	95.4	Very high	96.5	Very high	59 Å²	59	51.2 Å²	51.2	41%	0.413	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-83.6	0.4	178.1	-57.8	0	0	0	0	113.7	T19 F20 W92	T19-S22 WeakPolarHBondContact CB-OG 3Å; T19-S22 WeakPolarHBondContact CG2-OG 3.46Å; T19-S22 WeakPolarHBondContact O-CB 3.24Å; T19-S22 PolarHBondContact O-N 2.7Å; F20-S22 PolarHBondContact O-N 3.21Å; S22-W92 VanDerWaalsContact O-CD1 3.26Å
23	Y	95.9	Very high	96.2	Very high	58 Å²	58	51.5 Å²	51.5	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	-174.9	-64.8	-98.1	0	0	0	110.8	Y18 T21 P44 R89 N90 A91	Y18-Y23 AromaticContact CD2-CD2 3.4Å; Y18-Y23 HydrophobicContact CD2-CD2 3.4Å; Y18-Y23 VanDerWaalsContact CD2-CD2 3.4Å; Y18-Y23 AromaticContact CD2-CE2 3.57Å; Y18-Y23 HydrophobicContact CD2-CE2 3.57Å; Y18-Y23 HydrophobicContact CD2-CG 4.26Å; Y18-Y23 AromaticContact CE2-CD2 3.74Å; Y18-Y23 HydrophobicContact CE2-CD2 3.74Å; Y18-Y23 HydrophobicContact CE2-CE2 4.3Å; Y18-Y23 HydrophobicContact CE2-CG 4.18Å; Y18-Y23 HydrophobicContact CG-CD2 4.42Å; Y18-Y23 HydrophobicContact CG-CE2 4.19Å; T21-Y23 VanDerWaalsContact C-N 3.28Å; T21-Y23 PolarHBondContact O-N 3.24Å; Y23-P44 WeakPolarHBondContact O-CD 3.43Å; Y23-R89 HydrophobicContact CD1-CB 4.14Å; Y23-R89 HydrophobicContact CD1-CG 4.04Å; Y23-R89 HydrophobicContact CE1-CG 4.49Å; Y23-R89 HydrophobicContact CG-CB 4.31Å; Y23-N90 WeakPolarHBondContact CA-O 3.34Å; Y23-N90 WeakPolarHBondContact CB-O 3.35Å; Y23-N90 WeakPolarHBondContact CD1-O 2.79Å; Y23-A91 HydrophobicContact CD1-CB 3.99Å; Y23-A91 HydrophobicContact CE1-CB 3.67Å
24	T	97.3	Very high	95.9	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.043	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.7	161.9	54	0	0	0	0	110.1	H26 Y41 N43 R89 N90 W92	T24-H26 PolarHBondContact OG1-CD2 2.85Å; T24-H26 PolarHBondContact OG1-NE2 2.81Å; T24-Y41 HydrophobicContact CG2-CD2 3.68Å; T24-Y41 HydrophobicContact CG2-CE2 3.74Å; T24-N43 HydrophobicContact CG2-CB 4.33Å; T24-R89 VanDerWaalsContact O-CA 3.31Å; T24-R89 WeakPolarHBondContact O-CA 3.45Å; T24-N90 PolarHBondContact N-O 3.26Å; T24-N90 PolarHBondContact O-N 2.6Å; T24-N90 PolarHBondContact OG1-O 2.78Å; T24-W92 HydrophobicContact CG2-CH2 3.65Å; T24-W92 HydrophobicContact CG2-CZ2 3.24Å
25	M	98	Very high	95.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.5	174.3	-63.6	-56.5	-55.7	0	0	109.4	F20 Y41 I42 P44 A70 C87 R89	F20-M25 HydrophobicContact CD2-CG 4.43Å; F20-M25 HydrophobicContact CD2-SD 4.36Å; F20-M25 HydrophobicContact CE2-CG 3.55Å; F20-M25 HydrophobicContact CE2-SD 3.87Å; F20-M25 HydrophobicContact CZ-CG 4.1Å; M25-Y41 CarbonylContact O-C 3.58Å; M25-Y41 WeakPolarHBondContact O-CA 3.31Å; M25-Y41 WeakPolarHBondContact O-CB 3.16Å; M25-I42 HydrophobicContact CB-CG2 4.02Å; M25-I42 PolarHBondContact N-O 3.07Å; M25-I42 PolarHBondContact O-N 2.95Å; M25-P44 HydrophobicContact CG-CG 3.95Å; M25-A70 HydrophobicContact CB-CB 3.92Å; M25-A70 HydrophobicContact CG-CB 3.98Å; M25-C87 HydrophobicContact CE-CB 4.35Å; M25-R89 HydrophobicContact SD-CB 4Å
26	H	98.3	Very high	95.7	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.181	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.9	178.7	-67.8	-109.4	0	0	0	110.6	T24 W38 G40 Y41 C87 A88	T24-H26 PolarHBondContact OG1-CD2 2.85Å; T24-H26 PolarHBondContact OG1-NE2 2.81Å; H26-W38 AromaticContact CG-NE1 3.97Å; H26-W38 AromaticContact ND1-CD1 3.93Å; H26-W38 AromaticContact ND1-NE1 3.17Å; H26-W38 PolarHBondContact ND1-NE1 2.85Å; H26-W38 VanDerWaalsContact ND1-NE1 3.17Å; H26-G40 WeakPolarHBondContact CA-O 3.49Å; H26-Y41 AromaticContact CE1-CD1 3.8Å; H26-Y41 AromaticContact CE1-CG 3.9Å; H26-C87 CarbonylContact O-C 3.53Å; H26-C87 VanDerWaalsContact O-CA 3.24Å; H26-C87 WeakPolarHBondContact O-CA 3.49Å; H26-A88 PolarHBondContact N-O 2.89Å; H26-A88 PolarHBondContact O-N 3.08Å
27	W	98.6	Very high	95.8	Very high	6 Å²	6	52.2 Å²	52.2	2%	0.023	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.5	173.2	-68.5	88.6	0	0	0	110.2	M11 C13 I39 G40 L61 A70 M72 Y86 C87	M11-W27 HydrophobicContact CB-CH2 4.08Å; M11-W27 HydrophobicContact CB-CZ3 3.98Å; C13-W27 HydrophobicContact CB-CH2 3.87Å; C13-W27 HydrophobicContact CB-CZ2 4.01Å; W27-I39 HydrophobicContact CB-CB 4.18Å; W27-I39 HydrophobicContact CB-CD1 4.29Å; W27-I39 WeakPolarHBondContact O-CB 3.01Å; W27-I39 PolarHBondContact O-N 2.84Å; W27-G40 PolarHBondContact N-O 3.03Å; W27-L61 HydrophobicContact CG-CD2 4.04Å; W27-A70 HydrophobicContact CZ2-CB 4.32Å; W27-M72 HydrophobicContact CB-CE 4.42Å; W27-M72 HydrophobicContact CB-SD 3.7Å; W27-M72 HydrophobicContact CD2-CB 3.56Å; W27-M72 HydrophobicContact CD2-CE 4.19Å; W27-M72 HydrophobicContact CD2-CG 4.36Å; W27-M72 HydrophobicContact CD2-SD 3.93Å; W27-M72 HydrophobicContact CE3-CB 3.78Å; W27-M72 HydrophobicContact CE3-CE 3.64Å; W27-M72 HydrophobicContact CE3-SD 4.02Å; W27-M72 HydrophobicContact CG-CB 4.11Å; W27-M72 HydrophobicContact CG-SD 3.81Å; W27-M72 HydrophobicContact CH2-CB 3.98Å; W27-M72 HydrophobicContact CZ2-CB 3.79Å; W27-M72 HydrophobicContact CZ3-CB 3.98Å; W27-M72 HydrophobicContact CZ3-CE 4.25Å; W27-Y86 WeakPolarHBondContact CA-O 3.3Å; W27-C87 HydrophobicContact CE3-CB 4.39Å; W27-C87 HydrophobicContact CH2-CB 4.49Å; W27-C87 HydrophobicContact CZ3-CB 4.38Å
28	V	98.2	Very high	95.9	Very high	23 Å²	23	52.1 Å²	52.1	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.3	-174.6	-173.9	0	0	0	0	109.4	L36 E37 Y85 Y86	V28-L36 HydrophobicContact CG1-CB 3.74Å; V28-L36 HydrophobicContact CG1-CD2 3.87Å; V28-L36 HydrophobicContact CG1-CG 4.25Å; V28-E37 WeakPolarHBondContact CA-O 3.5Å; V28-Y85 CarbonylContact O-C 3.55Å; V28-Y85 WeakPolarHBondContact O-CA 3.29Å; V28-Y86 PolarHBondContact N-O 2.93Å; V28-Y86 PolarHBondContact O-N 3.22Å
29	K	97.3	Very high	96.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.6	175.5	-178.9	179.8	-178.5	175	0	109.9	E37 I39 F55 E80 D81 A83 Y85	K29-E37 HydrophobicContact CB-CB 4.38Å; K29-E37 PolarHBondContact N-O 2.67Å; K29-E37 PolarHBondContact O-N 2.57Å; K29-I39 HydrophobicContact CB-CD1 4.07Å; K29-I39 HydrophobicContact CB-CG1 4.23Å; K29-F55 HydrophobicContact CD-CE1 4.06Å; K29-F55 HydrophobicContact CD-CZ 4.11Å; K29-E80 WeakPolarHBondContact CE-O 3.48Å; K29-E80 PolarHBondContact NZ-O 3.39Å; K29-D81 IonicContact NZ-OD1 3.07Å; K29-D81 PolarHBondContact NZ-OD1 2.94Å; K29-A83 HydrophobicContact CD-CB 4.24Å; K29-A83 HydrophobicContact CG-CB 3.51Å; K29-Y85 HydrophobicContact CB-CD1 4.1Å; K29-Y85 HydrophobicContact CB-CE1 3.83Å; K29-Y85 HydrophobicContact CD-CE1 4Å; K29-Y85 HydrophobicContact CG-CD1 4.32Å; K29-Y85 HydrophobicContact CG-CE1 3.72Å
30	Q	97.1	Very high	96.3	Very high	67 Å²	67	45.4 Å²	45.4	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.3	172.4	-168.4	-178.6	26.9	0	0	110.3	L36 A83 V84 Y86	Q30-L36 HydrophobicContact CB-CD2 3.83Å; Q30-L36 HydrophobicContact CG-CD2 3.93Å; Q30-A83 WeakPolarHBondContact O-CA 3.32Å; Q30-A83 WeakPolarHBondContact O-CB 3.5Å; Q30-V84 PolarHBondContact N-O 3.24Å; Q30-V84 PolarHBondContact O-N 3.15Å; Q30-Y86 HydrophobicContact CB-CD2 4.44Å; Q30-Y86 HydrophobicContact CB-CE2 3.76Å; Q30-Y86 VanDerWaalsContact OE1-CE2 3.25Å; Q30-Y86 PolarHBondContact OE1-OH 3.36Å
31	R	94.5	Very high	96.4	Very high	47 Å²	47	47.2 Å²	47.2	18%	0.177	28%	0.275	C	S	.	.			trans	-85.4	149.7	169.6	-59.3	-164.8	-172.1	98.3	-5.9	110.3	G33 Q34 E37 E80 A83	R31-G33 PolarHBondContact O-N 3.33Å; R31-Q34 HydrophobicContact CB-CB 4.03Å; R31-Q34 HydrophobicContact CB-CG 4.07Å; R31-Q34 VanDerWaalsContact CD-OE1 3.3Å; R31-Q34 PolarHBondContact O-N 3.49Å; R31-E37 IonicContact CZ-OE1 3.79Å; R31-E37 IonicContact NH1-OE1 3.73Å; R31-E37 PolarHBondContact NH1-OE1 2.82Å; R31-E80 VanDerWaalsContact CZ-O 3.29Å; R31-E80 PolarHBondContact NE-O 2.97Å; R31-E80 PolarHBondContact NH2-O 3.33Å; R31-E80 IonicContact NH2-OE2 3.33Å; R31-A83 HydrophobicContact CG-CB 4.16Å
32	P	91.6	Very high	96.5	Very high	108 Å²	108	45.1 Å²	45.1	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.4	170.5	-24.9	34.5	0	0	0	111	Q34	P32-Q34 PolarHBondContact O-N 3.01Å
33	G	92.6	Very high	96.6	Very high	91 Å²	91	43.2 Å²	43.2	94%	0.938	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	3.7	-179.4	0	0	0	0	0	115.8	R31	R31-G33 PolarHBondContact O-N 3.33Å
34	Q	92.4	Very high	96.6	Very high	98 Å²	98	40.6 Å²	40.6	46%	0.458	24%	0.237	S	C	.	.	S	Bend	trans	-115.1	159.7	175	-59.5	-172.1	-12.1	0	0	111.7	R31 P32	R31-Q34 HydrophobicContact CB-CB 4.03Å; R31-Q34 HydrophobicContact CB-CG 4.07Å; R31-Q34 VanDerWaalsContact CD-OE1 3.3Å; R31-Q34 PolarHBondContact O-N 3.49Å; P32-Q34 PolarHBondContact O-N 3.01Å
35	G	93.8	Very high	96.6	Very high	56 Å²	56	43.2 Å²	43.2	58%	0.577	26%	0.256	S	S	*	.			trans	-67.4	175.5	173.2	0	0	0	0	0	113.2	E37	G35-E37 PolarHBondContact O-N 3.46Å
36	L	96.4	Very high	96.6	Very high	116 Å²	116	46.9 Å²	46.9	61%	0.607	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.1	173.2	-65.4	176.6	0	0	0	110.2	V28 Q30 Y86	V28-L36 HydrophobicContact CG1-CB 3.74Å; V28-L36 HydrophobicContact CG1-CD2 3.87Å; V28-L36 HydrophobicContact CG1-CG 4.25Å; Q30-L36 HydrophobicContact CB-CD2 3.83Å; Q30-L36 HydrophobicContact CG-CD2 3.93Å; L36-Y86 HydrophobicContact CD2-CE2 4.44Å
37	E	97.3	Very high	96.5	Very high	34 Å²	34	47.1 Å²	47.1	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.1	172.2	-66.6	-166.6	-91.4	0	0	109.4	V28 K29 R31 G35 I39 K54 F55	V28-E37 WeakPolarHBondContact CA-O 3.5Å; K29-E37 HydrophobicContact CB-CB 4.38Å; K29-E37 PolarHBondContact N-O 2.67Å; K29-E37 PolarHBondContact O-N 2.57Å; R31-E37 IonicContact CZ-OE1 3.79Å; R31-E37 IonicContact NH1-OE1 3.73Å; R31-E37 PolarHBondContact NH1-OE1 2.82Å; G35-E37 PolarHBondContact O-N 3.46Å; E37-I39 PolarHBondContact O-N 3.21Å; E37-K54 IonicContact OE2-NZ 2.95Å; E37-K54 PolarHBondContact OE2-NZ 2.83Å; E37-K54 VanDerWaalsContact OE2-NZ 3.07Å; E37-F55 HydrophobicContact CB-CZ 4.45Å
38	W	97.9	Very high	96.4	Very high	85 Å²	85	52.7 Å²	52.7	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.8	174.6	179	70.4	0	0	0	110.6	H26 G40 Y41 N50 N52	H26-W38 AromaticContact CG-NE1 3.97Å; H26-W38 AromaticContact ND1-CD1 3.93Å; H26-W38 AromaticContact ND1-NE1 3.17Å; H26-W38 PolarHBondContact ND1-NE1 2.85Å; H26-W38 VanDerWaalsContact ND1-NE1 3.17Å; W38-G40 VanDerWaalsContact CE2-C 3.49Å; W38-G40 VanDerWaalsContact CE2-CA 3.48Å; W38-G40 PolarHBondContact NE1-O 2.9Å; W38-Y41 HydrophobicContact CH2-CD1 4.42Å; W38-Y41 AromaticContact CZ2-CD1 3.74Å; W38-Y41 HydrophobicContact CZ2-CD1 3.74Å; W38-N50 HydrophobicContact CH2-CB 4.46Å; W38-N52 HydrophobicContact CE3-CB 3.82Å; W38-N52 HydrophobicContact CZ3-CB 3.95Å; W38-N52 WeakPolarHBondContact O-CB 3.43Å; W38-N52 PolarHBondContact O-ND2 3.49Å
39	I	98.3	Very high	96.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-49.4	-178.1	-61.4	174.2	0	0	0	110.4	W27 K29 E37 Y51 N52 F55 A59 M72 Y85	W27-I39 HydrophobicContact CB-CB 4.18Å; W27-I39 HydrophobicContact CB-CD1 4.29Å; W27-I39 WeakPolarHBondContact O-CB 3.01Å; W27-I39 PolarHBondContact O-N 2.84Å; K29-I39 HydrophobicContact CB-CD1 4.07Å; K29-I39 HydrophobicContact CB-CG1 4.23Å; E37-I39 PolarHBondContact O-N 3.21Å; I39-Y51 WeakPolarHBondContact O-CA 3.11Å; I39-N52 PolarHBondContact O-N 3.31Å; I39-F55 HydrophobicContact CB-CD2 4.3Å; I39-F55 HydrophobicContact CB-CG 4.31Å; I39-F55 HydrophobicContact CG1-CD1 4.27Å; I39-F55 HydrophobicContact CG1-CD2 4.25Å; I39-F55 HydrophobicContact CG1-CE1 4.24Å; I39-F55 HydrophobicContact CG1-CE2 4.21Å; I39-F55 HydrophobicContact CG1-CG 4.28Å; I39-F55 HydrophobicContact CG1-CZ 4.21Å; I39-F55 HydrophobicContact CG2-CB 3.76Å; I39-F55 HydrophobicContact CG2-CD1 4.28Å; I39-F55 HydrophobicContact CG2-CD2 4.33Å; I39-F55 HydrophobicContact CG2-CG 3.88Å; I39-A59 HydrophobicContact CG2-CB 3.79Å; I39-M72 HydrophobicContact CD1-CE 3.65Å; I39-M72 HydrophobicContact CD1-SD 3.56Å; I39-M72 VanDerWaalsContact CD1-SD 3.56Å; I39-M72 HydrophobicContact CG2-SD 3.93Å; I39-Y85 HydrophobicContact CD1-CD1 3.81Å; I39-Y85 HydrophobicContact CD1-CE1 3.84Å
40	G	98.3	Very high	96.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	176.2	-168.9	0	0	0	0	0	112.3	H26 W27 W38 N50	H26-G40 WeakPolarHBondContact CA-O 3.49Å; W27-G40 PolarHBondContact N-O 3.03Å; W38-G40 VanDerWaalsContact CE2-C 3.49Å; W38-G40 VanDerWaalsContact CE2-CA 3.48Å; W38-G40 PolarHBondContact NE1-O 2.9Å; G40-N50 CarbonylContact C-O 3.59Å; G40-N50 WeakPolarHBondContact CA-O 3.24Å
41	Y	98.4	Very high	96.5	Very high	44 Å²	44	55.5 Å²	55.5	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.3	167.7	79.4	-100.5	0	0	0	111.3	T24 M25 H26 W38 Y48 T49 N50	T24-Y41 HydrophobicContact CG2-CD2 3.68Å; T24-Y41 HydrophobicContact CG2-CE2 3.74Å; M25-Y41 CarbonylContact O-C 3.58Å; M25-Y41 WeakPolarHBondContact O-CA 3.31Å; M25-Y41 WeakPolarHBondContact O-CB 3.16Å; H26-Y41 AromaticContact CE1-CD1 3.8Å; H26-Y41 AromaticContact CE1-CG 3.9Å; W38-Y41 HydrophobicContact CH2-CD1 4.42Å; W38-Y41 AromaticContact CZ2-CD1 3.74Å; W38-Y41 HydrophobicContact CZ2-CD1 3.74Å; Y41-Y48 HydrophobicContact CE2-CD1 4.08Å; Y41-Y48 HydrophobicContact CE2-CE1 4.37Å; Y41-Y48 AromaticContact CZ-CE1 3.95Å; Y41-Y48 VanDerWaalsContact OH-CE1 3.3Å; Y41-Y48 WeakPolarHBondContact OH-CE1 3.17Å; Y41-T49 VanDerWaalsContact O-CA 3.3Å; Y41-T49 WeakPolarHBondContact O-CA 3.01Å; Y41-N50 HydrophobicContact CD1-CB 3.95Å; Y41-N50 HydrophobicContact CE1-CB 3.49Å; Y41-N50 VanDerWaalsContact CE1-CB 3.49Å; Y41-N50 PolarHBondContact N-O 3.05Å; Y41-N50 PolarHBondContact O-N 3.22Å
42	I	98.4	Very high	96.7	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135	166.7	-174.6	165	0	0	0	109.8	M25 P44 Y48 T49 L61 T62 A63	M25-I42 HydrophobicContact CB-CG2 4.02Å; M25-I42 PolarHBondContact N-O 3.07Å; M25-I42 PolarHBondContact O-N 2.95Å; I42-P44 WeakPolarHBondContact O-CD 3.34Å; I42-Y48 CarbonylContact C-O 3.56Å; I42-Y48 WeakPolarHBondContact CA-O 3.44Å; I42-T49 HydrophobicContact CB-CG2 3.93Å; I42-T49 HydrophobicContact CD1-CG2 3.93Å; I42-T49 HydrophobicContact CG1-CG2 3.8Å; I42-L61 HydrophobicContact CB-CB 4.16Å; I42-T62 VanDerWaalsContact CD1-C 3.5Å; I42-A63 HydrophobicContact CD1-CB 3.84Å; I42-A63 HydrophobicContact CG1-CB 4.44Å; I42-A63 HydrophobicContact CG2-CB 4.45Å
43	N	97.7	Very high	96.9	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.102	33%	0.331	C	S	.	.			trans	-84.4	108.9	163.8	177.7	-15.5	0	0	0	107.9	T24 S45 S46 G47 Y48 W92	T24-N43 HydrophobicContact CG2-CB 4.33Å; N43-S45 PolarHBondContact O-N 2.8Å; N43-S45 WeakPolarHBondContact OD1-CA 3.46Å; N43-S45 WeakPolarHBondContact OD1-CB 2.93Å; N43-S45 PolarHBondContact OD1-N 3.32Å; N43-S46 WeakPolarHBondContact CB-OG 3.29Å; N43-S46 VanDerWaalsContact CG-OG 3.31Å; N43-S46 PolarHBondContact ND2-OG 3.04Å; N43-S46 PolarHBondContact O-N 2.89Å; N43-S46 PolarHBondContact OD1-N 2.92Å; N43-G47 VanDerWaalsContact O-CA 3.29Å; N43-G47 WeakPolarHBondContact O-CA 3.47Å; N43-G47 PolarHBondContact O-N 3.01Å; N43-Y48 PolarHBondContact N-O 2.95Å; N43-W92 HydrophobicContact CB-CZ2 4.09Å; N43-W92 WeakPolarHBondContact ND2-CZ2 3.41Å
44	P	97.6	Very high	97	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.019	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.5	-179.1	-19.8	34.1	0	0	0	113.3	F20 Y23 M25 I42 A63 K65	F20-P44 HydrophobicContact CD1-CB 3.79Å; F20-P44 HydrophobicContact CD1-CG 4.23Å; F20-P44 HydrophobicContact CD2-CG 4.4Å; F20-P44 HydrophobicContact CE1-CB 3.46Å; F20-P44 VanDerWaalsContact CE1-CB 3.46Å; F20-P44 HydrophobicContact CE1-CG 3.81Å; F20-P44 HydrophobicContact CE2-CG 4Å; F20-P44 HydrophobicContact CG-CB 4.48Å; F20-P44 HydrophobicContact CZ-CB 3.87Å; F20-P44 HydrophobicContact CZ-CG 3.67Å; Y23-P44 WeakPolarHBondContact O-CD 3.43Å; M25-P44 HydrophobicContact CG-CG 3.95Å; I42-P44 WeakPolarHBondContact O-CD 3.34Å; P44-A63 HydrophobicContact CB-CB 4.05Å; P44-A63 HydrophobicContact CG-CB 4.49Å; P44-K65 WeakPolarHBondContact O-CE 3.18Å
45	S	96.4	Very high	97.2	Very high	63 Å²	63	55.1 Å²	55.1	44%	0.441	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-51.7	177.5	-174	0	0	0	0	111.9	N43 K65	N43-S45 PolarHBondContact O-N 2.8Å; N43-S45 WeakPolarHBondContact OD1-CA 3.46Å; N43-S45 WeakPolarHBondContact OD1-CB 2.93Å; N43-S45 PolarHBondContact OD1-N 3.32Å; S45-K65 WeakPolarHBondContact O-CE 3.27Å; S45-K65 PolarHBondContact O-NZ 3.21Å
46	S	96.8	Very high	97.3	Very high	78 Å²	78	58 Å²	58	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-16.5	-175.2	64.4	0	0	0	0	114.6	N43 Y48	N43-S46 WeakPolarHBondContact CB-OG 3.29Å; N43-S46 VanDerWaalsContact CG-OG 3.31Å; N43-S46 PolarHBondContact ND2-OG 3.04Å; N43-S46 PolarHBondContact O-N 2.89Å; N43-S46 PolarHBondContact OD1-N 2.92Å; S46-Y48 PolarHBondContact O-N 3.47Å; S46-Y48 VanDerWaalsContact OG-CB 3.3Å; S46-Y48 WeakPolarHBondContact OG-CB 3.44Å; S46-Y48 PolarHBondContact OG-N 3.08Å
47	G	96.9	Very high	97.2	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	30%	0.302	S	S	.	.			trans	74.4	1.4	-169.2	0	0	0	0	0	113.8	N43 T49	N43-G47 VanDerWaalsContact O-CA 3.29Å; N43-G47 WeakPolarHBondContact O-CA 3.47Å; N43-G47 PolarHBondContact O-N 3.01Å; G47-T49 PolarHBondContact O-N 3.3Å
48	Y	97.7	Very high	97.1	Very high	123 Å²	123	59.9 Å²	59.9	48%	0.482	30%	0.303	S	S	.	.			trans	-61.8	134.6	178	177.8	-95.1	0	0	0	110.6	Y41 I42 N43 S46 N50	Y41-Y48 HydrophobicContact CE2-CD1 4.08Å; Y41-Y48 HydrophobicContact CE2-CE1 4.37Å; Y41-Y48 AromaticContact CZ-CE1 3.95Å; Y41-Y48 VanDerWaalsContact OH-CE1 3.3Å; Y41-Y48 WeakPolarHBondContact OH-CE1 3.17Å; I42-Y48 CarbonylContact C-O 3.56Å; I42-Y48 WeakPolarHBondContact CA-O 3.44Å; N43-Y48 PolarHBondContact N-O 2.95Å; S46-Y48 PolarHBondContact O-N 3.47Å; S46-Y48 VanDerWaalsContact OG-CB 3.3Å; S46-Y48 WeakPolarHBondContact OG-CB 3.44Å; S46-Y48 PolarHBondContact OG-N 3.08Å; Y48-N50 HydrophobicContact CE1-CB 4.03Å; Y48-N50 PolarHBondContact OH-ND2 2.89Å
49	T	98.3	Very high	97.1	Very high	44 Å²	44	56 Å²	56	27%	0.27	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.5	178	52.4	0	0	0	0	110.9	Y41 I42 G47 Y51 L61	Y41-T49 VanDerWaalsContact O-CA 3.3Å; Y41-T49 WeakPolarHBondContact O-CA 3.01Å; I42-T49 HydrophobicContact CB-CG2 3.93Å; I42-T49 HydrophobicContact CD1-CG2 3.93Å; I42-T49 HydrophobicContact CG1-CG2 3.8Å; G47-T49 PolarHBondContact O-N 3.3Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.46Å; T49-L61 HydrophobicContact CG2-CB 3.98Å
50	N	97.8	Very high	97.1	Very high	59 Å²	59	59.4 Å²	59.4	32%	0.316	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.7	169.4	-163.6	-58.8	0	0	0	108.6	W38 G40 Y41 Y48	W38-N50 HydrophobicContact CH2-CB 4.46Å; G40-N50 CarbonylContact C-O 3.59Å; G40-N50 WeakPolarHBondContact CA-O 3.24Å; Y41-N50 HydrophobicContact CD1-CB 3.95Å; Y41-N50 HydrophobicContact CE1-CB 3.49Å; Y41-N50 VanDerWaalsContact CE1-CB 3.49Å; Y41-N50 PolarHBondContact N-O 3.05Å; Y41-N50 PolarHBondContact O-N 3.22Å; Y48-N50 HydrophobicContact CE1-CB 4.03Å; Y48-N50 PolarHBondContact OH-ND2 2.89Å
51	Y	98.4	Very high	97.2	Very high	48 Å²	48	59.8 Å²	59.8	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146	-173.9	-62.9	-92.7	0	0	0	110.2	I39 T49 A59 L61	I39-Y51 WeakPolarHBondContact O-CA 3.11Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.46Å; Y51-A59 HydrophobicContact CE1-CB 4.29Å; Y51-A59 WeakPolarHBondContact CE1-O 3.5Å; Y51-L61 HydrophobicContact CE1-CB 4.48Å; Y51-L61 HydrophobicContact CE1-CD1 4Å; Y51-L61 HydrophobicContact CE1-CG 3.64Å; Y51-L61 PolarHBondContact OH-N 2.84Å
52	N	97.6	Very high	97.2	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	32%	0.322	S	S	.	.			trans	-66.8	135	156.4	-179.5	-24.7	0	0	0	108.7	W38 I39 K54 F55 K56	W38-N52 HydrophobicContact CE3-CB 3.82Å; W38-N52 HydrophobicContact CZ3-CB 3.95Å; W38-N52 WeakPolarHBondContact O-CB 3.43Å; W38-N52 PolarHBondContact O-ND2 3.49Å; I39-N52 PolarHBondContact O-N 3.31Å; N52-K54 PolarHBondContact O-N 3.17Å; N52-K54 PolarHBondContact OD1-N 2.86Å; N52-F55 HydrophobicContact CB-CD2 4.06Å; N52-F55 PolarHBondContact O-N 2.89Å; N52-K56 PolarHBondContact O-N 3.04Å
53	Q	96.8	Very high	97.2	Very high	132 Å²	132	62 Å²	62	62%	0.617	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-53.5	-32.7	-175	-170	60.1	29.6	0	0	113.1	F55	Q53-F55 PolarHBondContact O-N 3.35Å
54	K	94.7	Very high	97.2	Very high	146 Å²	146	63.8 Å²	63.8	64%	0.635	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-60.6	-26.4	176.8	-67.4	-174.9	-177.3	-177.7	0	114.3	E37 N52	E37-K54 IonicContact OE2-NZ 2.95Å; E37-K54 PolarHBondContact OE2-NZ 2.83Å; E37-K54 VanDerWaalsContact OE2-NZ 3.07Å; N52-K54 PolarHBondContact O-N 3.17Å; N52-K54 PolarHBondContact OD1-N 2.86Å
55	F	96.3	Very high	97.2	Very high	10 Å²	10	69.4 Å²	69.4	4%	0.044	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-113.7	-3.4	-172.2	-60.1	-82.7	0	0	0	113.3	K29 E37 I39 N52 Q53 D57 K58 A59	K29-F55 HydrophobicContact CD-CE1 4.06Å; K29-F55 HydrophobicContact CD-CZ 4.11Å; E37-F55 HydrophobicContact CB-CZ 4.45Å; I39-F55 HydrophobicContact CB-CD2 4.3Å; I39-F55 HydrophobicContact CB-CG 4.31Å; I39-F55 HydrophobicContact CG1-CD1 4.27Å; I39-F55 HydrophobicContact CG1-CD2 4.25Å; I39-F55 HydrophobicContact CG1-CE1 4.24Å; I39-F55 HydrophobicContact CG1-CE2 4.21Å; I39-F55 HydrophobicContact CG1-CG 4.28Å; I39-F55 HydrophobicContact CG1-CZ 4.21Å; I39-F55 HydrophobicContact CG2-CB 3.76Å; I39-F55 HydrophobicContact CG2-CD1 4.28Å; I39-F55 HydrophobicContact CG2-CD2 4.33Å; I39-F55 HydrophobicContact CG2-CG 3.88Å; N52-F55 HydrophobicContact CB-CD2 4.06Å; N52-F55 PolarHBondContact O-N 2.89Å; Q53-F55 PolarHBondContact O-N 3.35Å; F55-D57 VanDerWaalsContact C-N 3.26Å; F55-D57 PolarHBondContact O-N 2.98Å; F55-K58 PolarHBondContact O-N 2.8Å; F55-A59 HydrophobicContact CB-CB 4.27Å; F55-A59 PolarHBondContact O-N 3.32Å
56	K	95.1	Very high	97.2	Very high	116 Å²	116	71.5 Å²	71.5	50%	0.504	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.1	-172.6	-170	176.7	-177.6	-179.8	0	113.4	N52	N52-K56 PolarHBondContact O-N 3.04Å
57	D	95.1	Very high	97.2	Very high	149 Å²	149	69.6 Å²	69.6	80%	0.797	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.5	-179.9	-54.6	-40.2	0	0	0	112.9	F55	F55-D57 VanDerWaalsContact C-N 3.26Å; F55-D57 PolarHBondContact O-N 2.98Å
58	K	95.8	Very high	97.3	Very high	42 Å²	42	69.3 Å²	69.3	18%	0.183	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-33.8	-172.7	-165.1	168.6	-166.3	171.2	0	113.6	F55 L74 S75 D81	F55-K58 PolarHBondContact O-N 2.8Å; K58-L74 WeakPolarHBondContact O-CA 3.45Å; K58-S75 WeakPolarHBondContact CG-O 3.42Å; K58-S75 PolarHBondContact O-N 3.01Å; K58-D81 VanDerWaalsContact CE-CG 3.48Å; K58-D81 WeakPolarHBondContact CE-OD1 3.32Å; K58-D81 WeakPolarHBondContact CE-OD2 3.47Å; K58-D81 IonicContact NZ-OD1 2.83Å; K58-D81 PolarHBondContact NZ-OD1 2.79Å; K58-D81 IonicContact NZ-OD2 2.57Å; K58-D81 PolarHBondContact NZ-OD2 3.39Å
59	A	97.8	Very high	97.3	Very high	3 Å²	3	63.8 Å²	63.8	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.6	-176.1	0	0	0	0	0	111	I39 Y51 F55 Q73 L74	I39-A59 HydrophobicContact CG2-CB 3.79Å; Y51-A59 HydrophobicContact CE1-CB 4.29Å; Y51-A59 WeakPolarHBondContact CE1-O 3.5Å; F55-A59 HydrophobicContact CB-CB 4.27Å; F55-A59 PolarHBondContact O-N 3.32Å; A59-Q73 CarbonylContact C-O 3.43Å; A59-Q73 WeakPolarHBondContact CA-O 3.5Å; A59-L74 HydrophobicContact CB-CD2 3.78Å
60	T	98.5	Very high	97.3	Very high	71 Å²	71	61.7 Å²	61.7	44%	0.436	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.8	169.2	-57.9	0	0	0	0	108.9	T62 M72 Q73	T60-T62 HydrophobicContact CG2-CG2 4.35Å; T60-M72 WeakPolarHBondContact O-CA 3.42Å; T60-Q73 PolarHBondContact N-O 2.86Å; T60-Q73 PolarHBondContact O-N 3.04Å
61	L	98.7	Very high	97.4	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.4	177.7	-52.2	-175.6	0	0	0	110.6	W27 I42 T49 Y51 Y71 M72	W27-L61 HydrophobicContact CG-CD2 4.04Å; I42-L61 HydrophobicContact CB-CB 4.16Å; T49-L61 HydrophobicContact CG2-CB 3.98Å; Y51-L61 HydrophobicContact CE1-CB 4.48Å; Y51-L61 HydrophobicContact CE1-CD1 4Å; Y51-L61 HydrophobicContact CE1-CG 3.64Å; Y51-L61 PolarHBondContact OH-N 2.84Å; L61-Y71 WeakPolarHBondContact CA-O 3.16Å; L61-M72 HydrophobicContact CD2-CB 3.71Å; L61-M72 HydrophobicContact CD2-CG 3.61Å; L61-M72 HydrophobicContact CD2-SD 3.97Å
62	T	98.6	Very high	97.4	Very high	62 Å²	62	59.2 Å²	59.2	38%	0.38	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.7	176.2	55.3	0	0	0	0	110.4	I42 T60 Y71	I42-T62 VanDerWaalsContact CD1-C 3.5Å; T60-T62 HydrophobicContact CG2-CG2 4.35Å; T62-Y71 PolarHBondContact N-O 2.91Å; T62-Y71 PolarHBondContact O-N 2.88Å
63	A	98.3	Very high	97.4	Very high	34 Å²	34	60.5 Å²	60.5	28%	0.281	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.6	177.2	0	0	0	0	0	110.2	F20 I42 P44 T69	F20-A63 HydrophobicContact CE1-CB 4.17Å; F20-A63 HydrophobicContact CZ-CB 4.25Å; I42-A63 HydrophobicContact CD1-CB 3.84Å; I42-A63 HydrophobicContact CG1-CB 4.44Å; I42-A63 HydrophobicContact CG2-CB 4.45Å; P44-A63 HydrophobicContact CB-CB 4.05Å; P44-A63 HydrophobicContact CG-CB 4.49Å; A63-T69 WeakPolarHBondContact CA-O 3.3Å
64	D	98.2	Very high	97.4	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.5	171.5	174.8	8.2	0	0	0	108.9	S66 S67 S68 T69 Y71	D64-S66 VanDerWaalsContact C-N 3.33Å; D64-S66 WeakPolarHBondContact OD1-CB 3.14Å; D64-S66 PolarHBondContact OD1-N 3.42Å; D64-S66 PolarHBondContact OD1-OG 2.03Å; D64-S66 PolarHBondContact OD2-OG 2.96Å; D64-S67 WeakPolarHBondContact CB-OG 3.41Å; D64-S67 WeakPolarHBondContact OD2-CB 3.08Å; D64-S67 PolarHBondContact OD2-OG 2.77Å; D64-S68 WeakPolarHBondContact O-CA 3.3Å; D64-S68 PolarHBondContact O-N 3.48Å; D64-S68 VanDerWaalsContact O-N 3.08Å; D64-T69 PolarHBondContact N-O 2.99Å; D64-T69 PolarHBondContact O-N 2.87Å; D64-Y71 HydrophobicContact CB-CE2 4.06Å
65	K	96.8	Very high	97.5	Very high	121 Å²	121	49 Å²	49	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-35.9	-179.9	-65.1	174.8	177.7	176.4	0	111.7	T21 P44 S45 S68	T21-K65 HydrophobicContact CG2-CD 4.42Å; T21-K65 HydrophobicContact CG2-CG 4.17Å; P44-K65 WeakPolarHBondContact O-CE 3.18Å; S45-K65 WeakPolarHBondContact O-CE 3.27Å; S45-K65 PolarHBondContact O-NZ 3.21Å; K65-S68 PolarHBondContact O-N 3.03Å
66	S	96.7	Very high	97.4	Very high	108 Å²	108	52.5 Å²	52.5	76%	0.755	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-40.9	-174.7	71.1	0	0	0	0	111.7	D64	D64-S66 VanDerWaalsContact C-N 3.33Å; D64-S66 WeakPolarHBondContact OD1-CB 3.14Å; D64-S66 PolarHBondContact OD1-N 3.42Å; D64-S66 PolarHBondContact OD1-OG 2.03Å; D64-S66 PolarHBondContact OD2-OG 2.96Å
67	S	97.8	Very high	97.3	Very high	37 Å²	37	47.9 Å²	47.9	26%	0.259	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.1	177.7	65.1	0	0	0	0	113.8	D64 T69	D64-S67 WeakPolarHBondContact CB-OG 3.41Å; D64-S67 WeakPolarHBondContact OD2-CB 3.08Å; D64-S67 PolarHBondContact OD2-OG 2.77Å; S67-T69 PolarHBondContact O-N 2.94Å; S67-T69 PolarHBondContact O-OG1 2.95Å; S67-T69 PolarHBondContact OG-OG1 2.89Å
68	S	98	Very high	97.2	Very high	38 Å²	38	44 Å²	44	27%	0.266	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43	-174.2	-64.4	0	0	0	0	112.7	A15 D64 K65	A15-S68 WeakPolarHBondContact CB-O 2.98Å; A15-S68 PolarHBondContact N-O 3.48Å; D64-S68 WeakPolarHBondContact O-CA 3.3Å; D64-S68 PolarHBondContact O-N 3.48Å; D64-S68 VanDerWaalsContact O-N 3.08Å; K65-S68 PolarHBondContact O-N 3.03Å
69	T	98.6	Very high	97	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.8	-173.2	-56.9	0	0	0	0	111	C13 K14 A63 D64 S67 Y71	C13-T69 WeakPolarHBondContact O-CA 3.42Å; K14-T69 HydrophobicContact CB-CG2 4.43Å; A63-T69 WeakPolarHBondContact CA-O 3.3Å; D64-T69 PolarHBondContact N-O 2.99Å; D64-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact O-N 2.94Å; S67-T69 PolarHBondContact O-OG1 2.95Å; S67-T69 PolarHBondContact OG-OG1 2.89Å; T69-Y71 HydrophobicContact CG2-CD1 4.27Å; T69-Y71 HydrophobicContact CG2-CD2 4.34Å; T69-Y71 HydrophobicContact CG2-CE1 3.67Å; T69-Y71 HydrophobicContact CG2-CE2 3.73Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.39Å
70	A	98.6	Very high	96.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.6	167.7	0	0	0	0	0	110	S12 C13 F20 M25 W27	S12-A70 CarbonylContact C-O 3.55Å; S12-A70 WeakPolarHBondContact CA-O 3.2Å; C13-A70 HydrophobicContact CB-CB 4.49Å; C13-A70 PolarHBondContact N-O 2.81Å; C13-A70 PolarHBondContact O-N 2.82Å; F20-A70 HydrophobicContact CE2-CB 4.4Å; F20-A70 HydrophobicContact CZ-CB 4.03Å; M25-A70 HydrophobicContact CB-CB 3.92Å; M25-A70 HydrophobicContact CG-CB 3.98Å; W27-A70 HydrophobicContact CZ2-CB 4.32Å
71	Y	98.6	Very high	96.4	Very high	55 Å²	55	50 Å²	50	22%	0.216	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.8	176.9	-54.7	-90.6	0	0	0	111.1	K10 M11 S12 L61 T62 D64 T69	K10-Y71 HydrophobicContact CD-CD1 4.48Å; K10-Y71 HydrophobicContact CG-CD1 4.43Å; M11-Y71 CarbonylContact O-C 3.49Å; M11-Y71 WeakPolarHBondContact O-CA 3.46Å; M11-Y71 WeakPolarHBondContact O-CB 3.37Å; S12-Y71 VanDerWaalsContact CB-CE1 3.48Å; L61-Y71 WeakPolarHBondContact CA-O 3.16Å; T62-Y71 PolarHBondContact N-O 2.91Å; T62-Y71 PolarHBondContact O-N 2.88Å; D64-Y71 HydrophobicContact CB-CE2 4.06Å; T69-Y71 HydrophobicContact CG2-CD1 4.27Å; T69-Y71 HydrophobicContact CG2-CD2 4.34Å; T69-Y71 HydrophobicContact CG2-CE1 3.67Å; T69-Y71 HydrophobicContact CG2-CE2 3.73Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.39Å
72	M	98.4	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.7	167.1	176.4	170.7	76.1	0	0	108.7	K10 M11 W27 I39 T60 L61 L74 Y85	K10-M72 WeakPolarHBondContact CA-O 3.36Å; M11-M72 HydrophobicContact CE-CE 3.2Å; M11-M72 PolarHBondContact N-O 3.06Å; M11-M72 PolarHBondContact O-N 2.86Å; M11-M72 HydrophobicContact SD-CE 4.26Å; W27-M72 HydrophobicContact CB-CE 4.42Å; W27-M72 HydrophobicContact CB-SD 3.7Å; W27-M72 HydrophobicContact CD2-CB 3.56Å; W27-M72 HydrophobicContact CD2-CE 4.19Å; W27-M72 HydrophobicContact CD2-CG 4.36Å; W27-M72 HydrophobicContact CD2-SD 3.93Å; W27-M72 HydrophobicContact CE3-CB 3.78Å; W27-M72 HydrophobicContact CE3-CE 3.64Å; W27-M72 HydrophobicContact CE3-SD 4.02Å; W27-M72 HydrophobicContact CG-CB 4.11Å; W27-M72 HydrophobicContact CG-SD 3.81Å; W27-M72 HydrophobicContact CH2-CB 3.98Å; W27-M72 HydrophobicContact CZ2-CB 3.79Å; W27-M72 HydrophobicContact CZ3-CB 3.98Å; W27-M72 HydrophobicContact CZ3-CE 4.25Å; I39-M72 HydrophobicContact CD1-CE 3.65Å; I39-M72 HydrophobicContact CD1-SD 3.56Å; I39-M72 VanDerWaalsContact CD1-SD 3.56Å; I39-M72 HydrophobicContact CG2-SD 3.93Å; T60-M72 WeakPolarHBondContact O-CA 3.42Å; L61-M72 HydrophobicContact CD2-CB 3.71Å; L61-M72 HydrophobicContact CD2-CG 3.61Å; L61-M72 HydrophobicContact CD2-SD 3.97Å; M72-L74 HydrophobicContact CE-CD1 4.17Å; M72-L74 HydrophobicContact CE-CD2 4.49Å; M72-L74 HydrophobicContact CE-CG 4.21Å; M72-L74 HydrophobicContact CG-CD2 4.5Å; M72-L74 HydrophobicContact CG-CG 4.42Å; M72-L74 HydrophobicContact SD-CD2 4.35Å; M72-Y85 HydrophobicContact CE-CD1 3.55Å; M72-Y85 HydrophobicContact CE-CE1 4.06Å; M72-Y85 HydrophobicContact CE-CG 4.21Å
73	Q	98.2	Very high	95.9	Very high	76 Å²	76	55 Å²	55	36%	0.355	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.2	168.8	-178.4	173	-19.1	0	0	109	V9 A59 T60	V9-Q73 CarbonylContact O-C 3.58Å; V9-Q73 VanDerWaalsContact O-CA 3.27Å; V9-Q73 WeakPolarHBondContact O-CA 3.35Å; A59-Q73 CarbonylContact C-O 3.43Å; A59-Q73 WeakPolarHBondContact CA-O 3.5Å; T60-Q73 PolarHBondContact N-O 2.86Å; T60-Q73 PolarHBondContact O-N 3.04Å
74	L	97.1	Very high	95.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.2	169	-68.1	174.3	0	0	0	108.8	S8 V9 M11 K58 A59 M72 L77 Y85	S8-L74 CarbonylContact C-O 3.6Å; S8-L74 WeakPolarHBondContact CA-O 3.21Å; S8-L74 WeakPolarHBondContact CB-O 3.42Å; V9-L74 HydrophobicContact CG1-CB 4.02Å; V9-L74 PolarHBondContact N-O 2.91Å; V9-L74 PolarHBondContact O-N 3.5Å; M11-L74 HydrophobicContact CE-CD1 3.65Å; M11-L74 HydrophobicContact CE-CG 4.07Å; K58-L74 WeakPolarHBondContact O-CA 3.45Å; A59-L74 HydrophobicContact CB-CD2 3.78Å; M72-L74 HydrophobicContact CE-CD1 4.17Å; M72-L74 HydrophobicContact CE-CD2 4.49Å; M72-L74 HydrophobicContact CE-CG 4.21Å; M72-L74 HydrophobicContact CG-CD2 4.5Å; M72-L74 HydrophobicContact CG-CG 4.42Å; M72-L74 HydrophobicContact SD-CD2 4.35Å; L74-L77 HydrophobicContact CB-CD2 3.81Å; L74-L77 HydrophobicContact CD1-CD2 4.3Å; L74-Y85 HydrophobicContact CD1-CD1 4.45Å; L74-Y85 HydrophobicContact CD1-CE1 3.64Å; L74-Y85 HydrophobicContact CD1-CE2 4.31Å
75	S	95.6	Very high	95.8	Very high	35 Å²	35	56.7 Å²	56.7	25%	0.245	32%	0.318	C	S	.	.			trans	-106.3	157.5	179.7	-57.8	0	0	0	0	111.5	K58 L77	K58-S75 WeakPolarHBondContact CG-O 3.42Å; K58-S75 PolarHBondContact O-N 3.01Å; S75-L77 PolarHBondContact O-N 3.44Å
76	S	94.4	Very high	95.9	Very high	84 Å²	84	55.8 Å²	55.8	59%	0.587	31%	0.312	S	S	*	.	S	Bend	trans	49.4	55	174.6	-59.5	0	0	0	0	112.9	A7 T78	A7-S76 PolarHBondContact O-N 2.99Å; S76-T78 PolarHBondContact O-N 2.88Å
77	L	94.2	Very high	95.9	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.099	29%	0.293	C	S	.	.			trans	-59.1	137.4	-174.7	-69.5	171.8	0	0	0	112.4	A3 P5 G6 A7 V9 L74 S75 D81	A3-L77 HydrophobicContact CB-CD1 3.54Å; P5-L77 WeakPolarHBondContact CA-O 3.33Å; G6-L77 PolarHBondContact N-O 3.12Å; A7-L77 VanDerWaalsContact O-CG 3.31Å; A7-L77 WeakPolarHBondContact O-CG 3.42Å; A7-L77 PolarHBondContact O-N 3.16Å; V9-L77 HydrophobicContact CB-CD1 4.02Å; V9-L77 HydrophobicContact CG1-CD1 3.8Å; V9-L77 HydrophobicContact CG1-CD2 4.13Å; V9-L77 HydrophobicContact CG1-CG 4.44Å; L74-L77 HydrophobicContact CB-CD2 3.81Å; L74-L77 HydrophobicContact CD1-CD2 4.3Å; S75-L77 PolarHBondContact O-N 3.44Å; L77-D81 WeakPolarHBondContact CA-OD2 3.19Å; L77-D81 HydrophobicContact CD2-CB 3.71Å
78	T	93.2	Very high	95.8	Very high	67 Å²	67	53.7 Å²	53.7	41%	0.411	30%	0.3	S	S	.	.			trans	-120.3	171.8	173.9	66.1	0	0	0	0	110.2	S76 E80 D81	S76-T78 PolarHBondContact O-N 2.88Å; T78-E80 PolarHBondContact O-N 3.27Å; T78-E80 VanDerWaalsContact O-N 3.15Å; T78-D81 PolarHBondContact N-OD2 3.41Å; T78-D81 PolarHBondContact O-N 2.83Å; T78-D81 PolarHBondContact OG1-OD2 2.85Å
79	S	90.5	Very high	95.7	Very high	108 Å²	108	58 Å²	58	76%	0.755	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-56.2	-29.5	174.6	51.9	0	0	0	0	112.4	D81 F82	S79-D81 PolarHBondContact O-N 3.03Å; S79-F82 WeakPolarHBondContact O-CB 3.43Å; S79-F82 PolarHBondContact O-N 2.84Å
80	E	89.9	Confident	95.5	Very high	123 Å²	123	62 Å²	62	58%	0.575	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.5	-19.6	175.6	-74.3	-172.8	-163.9	0	0	113.7	K29 R31 T78 F82	K29-E80 WeakPolarHBondContact CE-O 3.48Å; K29-E80 PolarHBondContact NZ-O 3.39Å; R31-E80 VanDerWaalsContact CZ-O 3.29Å; R31-E80 PolarHBondContact NE-O 2.97Å; R31-E80 PolarHBondContact NH2-O 3.33Å; R31-E80 IonicContact NH2-OE2 3.33Å; T78-E80 PolarHBondContact O-N 3.27Å; T78-E80 VanDerWaalsContact O-N 3.15Å; E80-F82 VanDerWaalsContact C-N 3.32Å
81	D	93	Very high	94.6	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.064	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-87.2	-3.4	178.7	-55.7	-47.6	0	0	0	113.7	K29 K58 L77 T78 S79 A83 Y85	K29-D81 IonicContact NZ-OD1 3.07Å; K29-D81 PolarHBondContact NZ-OD1 2.94Å; K58-D81 VanDerWaalsContact CE-CG 3.48Å; K58-D81 WeakPolarHBondContact CE-OD1 3.32Å; K58-D81 WeakPolarHBondContact CE-OD2 3.47Å; K58-D81 IonicContact NZ-OD1 2.83Å; K58-D81 PolarHBondContact NZ-OD1 2.79Å; K58-D81 IonicContact NZ-OD2 2.57Å; K58-D81 PolarHBondContact NZ-OD2 3.39Å; L77-D81 WeakPolarHBondContact CA-OD2 3.19Å; L77-D81 HydrophobicContact CD2-CB 3.71Å; T78-D81 PolarHBondContact N-OD2 3.41Å; T78-D81 PolarHBondContact O-N 2.83Å; T78-D81 PolarHBondContact OG1-OD2 2.85Å; S79-D81 PolarHBondContact O-N 3.03Å; D81-A83 PolarHBondContact O-N 3.22Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 2.78Å
82	F	92.9	Very high	93.1	Very high	152 Å²	152	68.6 Å²	68.6	67%	0.667	37%	0.366	S	S	*	.			trans	-68.4	104.4	172.1	-173.4	-99.4	0	0	0	109.9	S79 E80	S79-F82 WeakPolarHBondContact O-CB 3.43Å; S79-F82 PolarHBondContact O-N 2.84Å; E80-F82 VanDerWaalsContact C-N 3.32Å
83	A	95.1	Very high	90.8	Very high	24 Å²	24	75.7 Å²	75.7	20%	0.198	44%	0.439	C	S	.	.	S	Bend	trans	-162.6	166.9	-171.7	0	0	0	0	0	110.3	K29 Q30 R31 D81 Y85	K29-A83 HydrophobicContact CD-CB 4.24Å; K29-A83 HydrophobicContact CG-CB 3.51Å; Q30-A83 WeakPolarHBondContact O-CA 3.32Å; Q30-A83 WeakPolarHBondContact O-CB 3.5Å; R31-A83 HydrophobicContact CG-CB 4.16Å; D81-A83 PolarHBondContact O-N 3.22Å; A83-Y85 HydrophobicContact CB-CE2 3.94Å
84	V	96.5	Very high	90.4	Very high	77 Å²	77	75.7 Å²	75.7	47%	0.467	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.8	161.5	-174.6	0	0	0	0	108.3	Q30 Y86	Q30-V84 PolarHBondContact N-O 3.24Å; Q30-V84 PolarHBondContact O-N 3.15Å; V84-Y86 HydrophobicContact CB-CE2 4.05Å; V84-Y86 HydrophobicContact CG1-CD1 4.48Å; V84-Y86 HydrophobicContact CG1-CD2 4.34Å; V84-Y86 HydrophobicContact CG1-CE1 3.83Å; V84-Y86 HydrophobicContact CG1-CE2 3.68Å
85	Y	97.6	Very high	90.1	Very high	46 Å²	46	79.6 Å²	79.6	18%	0.18	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.6	177.6	-67.1	-89.8	0	0	0	109.7	M11 V28 K29 I39 M72 L74 D81 A83	M11-Y85 HydrophobicContact CE-CD1 4.21Å; M11-Y85 HydrophobicContact CE-CD2 4.15Å; M11-Y85 HydrophobicContact CE-CG 3.99Å; M11-Y85 HydrophobicContact SD-CD2 3.89Å; M11-Y85 HydrophobicContact SD-CG 3.81Å; V28-Y85 CarbonylContact O-C 3.55Å; V28-Y85 WeakPolarHBondContact O-CA 3.29Å; K29-Y85 HydrophobicContact CB-CD1 4.1Å; K29-Y85 HydrophobicContact CB-CE1 3.83Å; K29-Y85 HydrophobicContact CD-CE1 4Å; K29-Y85 HydrophobicContact CG-CD1 4.32Å; K29-Y85 HydrophobicContact CG-CE1 3.72Å; I39-Y85 HydrophobicContact CD1-CD1 3.81Å; I39-Y85 HydrophobicContact CD1-CE1 3.84Å; M72-Y85 HydrophobicContact CE-CD1 3.55Å; M72-Y85 HydrophobicContact CE-CE1 4.06Å; M72-Y85 HydrophobicContact CE-CG 4.21Å; L74-Y85 HydrophobicContact CD1-CD1 4.45Å; L74-Y85 HydrophobicContact CD1-CE1 3.64Å; L74-Y85 HydrophobicContact CD1-CE2 4.31Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 2.78Å; A83-Y85 HydrophobicContact CB-CE2 3.94Å
86	Y	97.9	Very high	89.7	Confident	102 Å²	102	82.1 Å²	82.1	40%	0.4	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.2	179.3	-56.2	-85	0	0	0	110	W27 V28 Q30 L36 V84	W27-Y86 WeakPolarHBondContact CA-O 3.3Å; V28-Y86 PolarHBondContact N-O 2.93Å; V28-Y86 PolarHBondContact O-N 3.22Å; Q30-Y86 HydrophobicContact CB-CD2 4.44Å; Q30-Y86 HydrophobicContact CB-CE2 3.76Å; Q30-Y86 VanDerWaalsContact OE1-CE2 3.25Å; Q30-Y86 PolarHBondContact OE1-OH 3.36Å; L36-Y86 HydrophobicContact CD2-CE2 4.44Å; V84-Y86 HydrophobicContact CB-CE2 4.05Å; V84-Y86 HydrophobicContact CG1-CD1 4.48Å; V84-Y86 HydrophobicContact CG1-CD2 4.34Å; V84-Y86 HydrophobicContact CG1-CE1 3.83Å; V84-Y86 HydrophobicContact CG1-CE2 3.68Å
87	C	97.4	Very high	89.5	Confident	53 Å²	53	81.9 Å²	81.9	36%	0.358	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141	161.4	61.3	0	0	0	0	109.7	C13 M25 H26 W27	C13-C87 HydrophobicContact CB-CB 3.53Å; C13-C87 WeakPolarHBondContact CB-SG 3.45Å; C13-C87 WeakPolarHBondContact SG-CB 3.35Å; C13-C87 CovalentContact SG-SG 2.03Å; C13-C87 PolarHBondContact SG-SG 3.35Å; M25-C87 HydrophobicContact CE-CB 4.35Å; H26-C87 CarbonylContact O-C 3.53Å; H26-C87 VanDerWaalsContact O-CA 3.24Å; H26-C87 WeakPolarHBondContact O-CA 3.49Å; W27-C87 HydrophobicContact CE3-CB 4.39Å; W27-C87 HydrophobicContact CH2-CB 4.49Å; W27-C87 HydrophobicContact CZ3-CB 4.38Å
88	A	97	Very high	89.2	Confident	49 Å²	49	85.9 Å²	85.9	41%	0.405	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143	176.9	0	0	0	0	0	109.9	H26	H26-A88 PolarHBondContact N-O 2.89Å; H26-A88 PolarHBondContact O-N 3.08Å
89	R	95.4	Very high	88.9	Confident	128 Å²	128	87.1 Å²	87.1	48%	0.483	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.9	172.5	74.1	-179.1	-177.3	-163.2	-2	110	Y23 T24 M25	Y23-R89 HydrophobicContact CD1-CB 4.14Å; Y23-R89 HydrophobicContact CD1-CG 4.04Å; Y23-R89 HydrophobicContact CE1-CG 4.49Å; Y23-R89 HydrophobicContact CG-CB 4.31Å; T24-R89 VanDerWaalsContact O-CA 3.31Å; T24-R89 WeakPolarHBondContact O-CA 3.45Å; M25-R89 HydrophobicContact SD-CB 4Å
90	N	93.4	Very high	88.8	Confident	91 Å²	91	85.6 Å²	85.6	49%	0.487	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.5	169.3	-170.6	-55.6	0	0	0	109.3	Y23 T24	Y23-N90 WeakPolarHBondContact CA-O 3.34Å; Y23-N90 WeakPolarHBondContact CB-O 3.35Å; Y23-N90 WeakPolarHBondContact CD1-O 2.79Å; T24-N90 PolarHBondContact N-O 3.26Å; T24-N90 PolarHBondContact O-N 2.6Å; T24-N90 PolarHBondContact OG1-O 2.78Å
91	A	80.8	Confident	88.7	Confident	49 Å²	49	82.8 Å²	82.8	41%	0.405	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.3	176.7	0	0	0	0	0	108.6	Y23 G93	Y23-A91 HydrophobicContact CD1-CB 3.99Å; Y23-A91 HydrophobicContact CE1-CB 3.67Å; A91-G93 PolarHBondContact O-N 2.65Å
92	W	66.6	Low	88.3	Confident	144 Å²	144	88.7 Å²	88.7	55%	0.545	51%	0.511	S	S	.	.			trans	-56.5	115.9	162.8	-56.3	94.5	0	0	0	107.4	S22 T24 N43	S22-W92 VanDerWaalsContact O-CD1 3.26Å; T24-W92 HydrophobicContact CG2-CH2 3.65Å; T24-W92 HydrophobicContact CG2-CZ2 3.24Å; N43-W92 HydrophobicContact CB-CZ2 4.09Å; N43-W92 WeakPolarHBondContact ND2-CZ2 3.41Å
93	G	49.5	Very low	87.9	Confident	149 Å²	149	82.9 Å²	82.9	100%	1.536	50%	0.497	S	S	*	.			trans	-66.6	0	171.5	0	0	0	0	0	110.7	A91	A91-G93 PolarHBondContact O-N 2.65Å

Retrieved 93 of 93 residues in 18.7 ms (Link to these results)

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