X5J5Q2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q2, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 109 aa.

						>X5J5Q2_MOUSE|X5J5Q2|Ighv7-3
GGLVQPGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEGSATYYCARGNYFDYWGQGTTLTVSS
					

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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	G	50.6	Low	72.4	Confident	108 Å²	108	76.1 Å²	76.1	100%	1.113	50%	0.495	S	S	*	.				0	147.2	0	0	0	0	0	0	109	T104	G1-T104 WeakPolarHBondContact CA-O 3.45Å
2	G	61.2	Low	74.1	Confident	29 Å²	29	70.8 Å²	70.8	30%	0.299	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.5	178.6	0	0	0	0	0	111.3	T106	G2-T106 PolarHBondContact O-N 3.33Å
3	L	64.6	Low	75.6	Confident	130 Å²	130	71 Å²	71	68%	0.681	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.7	170.5	-164.9	76.1	0	0	0	108.5	S108	L3-S108 VanDerWaalsContact CD1-OG 3.3Å; L3-S108 WeakPolarHBondContact CD1-OG 3.41Å
4	V	66.2	Low	76.9	Confident	24 Å²	24	66.9 Å²	66.9	15%	0.145	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	179.3	-169.9	0	0	0	0	109.8	L10 L80 T106 V107 S108	V4-L10 HydrophobicContact CG2-CB 4.23Å; V4-L10 HydrophobicContact CG2-CD1 4.24Å; V4-L10 HydrophobicContact CG2-CD2 3.84Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; V4-L80 HydrophobicContact CB-CD1 4.25Å; V4-L80 HydrophobicContact CG1-CD1 3.85Å; V4-L80 HydrophobicContact CG2-CD1 4.46Å; V4-T106 PolarHBondContact N-O 2.84Å; V4-V107 WeakPolarHBondContact O-CA 3.5Å; V4-V107 WeakPolarHBondContact O-CG1 3.41Å; V4-S108 PolarHBondContact O-N 2.64Å
5	Q	72.3	Confident	77.9	Confident	150 Å²	150	67.7 Å²	67.7	70%	0.701	45%	0.451	S	S	*	.			trans	-74.2	147.8	174	-70.8	-177	-12.1	0	0	111.5	G8	Q5-G8 PolarHBondContact O-N 3.26Å; Q5-G8 VanDerWaalsContact O-N 3.12Å
6	P	68.6	Low	78.4	Confident	63 Å²	63	64.4 Å²	64.4	41%	0.409	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	140.7	171.4	-23.4	32.5	0	0	0	111.8	G8 V107 S108	P6-G8 PolarHBondContact O-N 3.04Å; P6-V107 HydrophobicContact CG-CG1 4.11Å; P6-S108 WeakPolarHBondContact CD-O 3.37Å
7	G	70.9	Confident	78.8	Confident	58 Å²	58	65.6 Å²	65.6	60%	0.598	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-12.6	-175.6	0	0	0	0	0	114.5	L80	G7-L80 PolarHBondContact N-O 3.47Å
8	G	79	Confident	79.2	Confident	25 Å²	25	66.6 Å²	66.6	26%	0.258	46%	0.462	S	S	.	.			trans	-69.7	167.1	175.3	0	0	0	0	0	113.9	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.26Å; Q5-G8 VanDerWaalsContact O-N 3.12Å; P6-G8 PolarHBondContact O-N 3.04Å; G8-T79 PolarHBondContact O-N 3.31Å; G8-L80 PolarHBondContact O-N 3Å
9	S	83.2	Confident	79.6	Confident	72 Å²	72	64.8 Å²	64.8	50%	0.503	45%	0.445	S	S	.	.			trans	-113.4	141.4	171.2	-64.7	0	0	0	0	109.9	M77 N78	S9-M77 CarbonylContact C-O 3.59Å; S9-M77 VanDerWaalsContact CA-O 3.23Å; S9-M77 WeakPolarHBondContact CA-O 3.21Å; S9-N78 PolarHBondContact OG-OD1 2.82Å
10	L	88.3	Confident	80.1	Confident	43 Å²	43	65.7 Å²	65.7	23%	0.225	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.7	176.1	179.5	69.1	0	0	0	109.6	V4 L12 M77 L80 L105	V4-L10 HydrophobicContact CG2-CB 4.23Å; V4-L10 HydrophobicContact CG2-CD1 4.24Å; V4-L10 HydrophobicContact CG2-CD2 3.84Å; V4-L10 HydrophobicContact CG2-CG 4.32Å; L10-L12 HydrophobicContact CD2-CD2 4.1Å; L10-M77 HydrophobicContact CB-CE 3.89Å; L10-M77 HydrophobicContact CD2-CE 3.73Å; L10-M77 HydrophobicContact CG-CE 3.99Å; L10-M77 PolarHBondContact N-O 3.28Å; L10-M77 PolarHBondContact O-N 3.19Å; L10-L80 HydrophobicContact CB-CD1 3.68Å; L10-L105 HydrophobicContact CD2-CD1 3.43Å; L10-L105 VanDerWaalsContact CD2-CD1 3.43Å; L10-L105 HydrophobicContact CD2-CD2 3.48Å; L10-L105 VanDerWaalsContact CD2-CD2 3.48Å; L10-L105 HydrophobicContact CD2-CG 4.1Å
11	R	91.3	Very high	80.6	Confident	135 Å²	135	62.7 Å²	62.7	51%	0.509	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.5	170.5	-165.4	173.5	175.8	179.6	-2.3	110	Y74 L75 Q76	R11-Y74 HydrophobicContact CG-CD1 4.36Å; R11-Y74 VanDerWaalsContact NE-CD1 3.35Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.27Å; R11-L75 WeakPolarHBondContact CA-O 3.36Å; R11-Q76 VanDerWaalsContact CB-OE1 3.3Å
12	L	92.7	Very high	82.6	Confident	13 Å²	13	60 Å²	60	7%	0.068	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.7	167.1	-66.2	179.8	0	0	0	110.3	L10 W28 Y74 L75 M77 Y88 T103 L105	L10-L12 HydrophobicContact CD2-CD2 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ2 4.28Å; L12-W28 HydrophobicContact CB-CZ3 4.44Å; L12-W28 HydrophobicContact CD1-CH2 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.16Å; L12-Y74 CarbonylContact O-C 3.48Å; L12-Y74 WeakPolarHBondContact O-CA 3.34Å; L12-L75 HydrophobicContact CB-CB 4.25Å; L12-L75 HydrophobicContact CD1-CD2 4.44Å; L12-L75 PolarHBondContact N-O 2.87Å; L12-L75 PolarHBondContact O-N 2.87Å; L12-M77 HydrophobicContact CD1-CE 3.94Å; L12-M77 HydrophobicContact CD1-SD 4.3Å; L12-M77 HydrophobicContact CG-CE 3.74Å; L12-Y88 HydrophobicContact CD1-CD1 3.84Å; L12-Y88 HydrophobicContact CD1-CD2 4.16Å; L12-Y88 HydrophobicContact CD1-CG 3.59Å; L12-T103 HydrophobicContact CD2-CG2 4.24Å; L12-L105 HydrophobicContact CD1-CD1 3.76Å; L12-L105 HydrophobicContact CD2-CD1 3.76Å; L12-L105 HydrophobicContact CD2-CD2 3.99Å; L12-L105 HydrophobicContact CD2-CG 4.13Å; L12-L105 HydrophobicContact CG-CD1 3.99Å
13	S	94.4	Very high	84	Confident	73 Å²	73	63 Å²	63	51%	0.51	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.9	167.4	56.2	0	0	0	0	109.7	L73	S13-L73 CarbonylContact C-O 3.5Å; S13-L73 WeakPolarHBondContact CA-O 3.47Å
14	C	93.1	Very high	85.3	Confident	13 Å²	13	61.3 Å²	61.3	9%	0.088	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	110.3	169.5	159.6	0	0	0	0	108.3	T16 W28 I72 L73 C90	C14-T16 VanDerWaalsContact SG-CG2 3.58Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; C14-I72 CarbonylContact O-C 3.44Å; C14-I72 WeakPolarHBondContact O-CA 3.39Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 2.78Å; C14-L73 PolarHBondContact O-N 2.78Å; C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.2Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.97Å
15	A	91.6	Very high	86.7	Confident	80 Å²	80	62.9 Å²	62.9	66%	0.661	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.6	168.6	0	0	0	0	0	109.3	I72	A15-I72 HydrophobicContact CB-CG1 4.23Å
16	T	86.1	Confident	87.7	Confident	15 Å²	15	55.8 Å²	55.8	9%	0.092	35%	0.354	C	S	.	.			trans	-122.2	150.5	179.7	59.3	0	0	0	0	110.6	C14 F19 F21 M26 S71	C14-T16 VanDerWaalsContact SG-CG2 3.58Å; T16-F19 HydrophobicContact CG2-CZ 4.19Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.43Å; T16-M26 HydrophobicContact CG2-CE 4.02Å; T16-S71 PolarHBondContact N-O 2.74Å; T16-S71 PolarHBondContact OG1-O 2.78Å; T16-S71 VanDerWaalsContact OG1-O 3.05Å
17	S	86.2	Confident	89	Confident	84 Å²	84	52.8 Å²	52.8	59%	0.587	34%	0.335	S	S	*	.			trans	-147.5	167.2	177.8	59.7	0	0	0	0	109.4	Y98	S17-Y98 PolarHBondContact O-OH 3.15Å
18	G	85.6	Confident	90.1	Very high	84 Å²	84	50.2 Å²	50.2	87%	0.866	31%	0.307	S	S	*	.	S	Bend	trans	86.6	2.1	178	0	0	0	0	0	115.6
19	F	86.7	Confident	90.9	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.145	30%	0.296	C	S	.	.	S	Bend	trans	-155.6	164.1	171.4	62.9	-85.1	0	0	0	111.3	T16 F21 Y24 M26 R92 Y98	T16-F19 HydrophobicContact CG2-CZ 4.19Å; F19-F21 HydrophobicContact CE2-CB 4.38Å; F19-F21 HydrophobicContact CE2-CD2 4.28Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 2.58Å; F19-Y24 HydrophobicContact CB-CE2 4.28Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.99Å; F19-Y24 HydrophobicContact CD2-CE2 3.99Å; F19-Y24 HydrophobicContact CD2-CG 4.37Å; F19-Y24 HydrophobicContact CE2-CD2 4.15Å; F19-M26 HydrophobicContact CE2-SD 4.02Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.11Å; F19-R92 HydrophobicContact CE2-CG 4.36Å; F19-Y98 HydrophobicContact CD1-CD1 4.34Å; F19-Y98 HydrophobicContact CD1-CD2 4.37Å; F19-Y98 HydrophobicContact CD1-CE1 4.49Å; F19-Y98 HydrophobicContact CD1-CG 4.28Å; F19-Y98 AromaticContact CE1-CD1 3.57Å; F19-Y98 HydrophobicContact CE1-CD1 3.57Å; F19-Y98 HydrophobicContact CE1-CD2 4.37Å; F19-Y98 AromaticContact CE1-CE1 3.73Å; F19-Y98 HydrophobicContact CE1-CE1 3.73Å; F19-Y98 HydrophobicContact CE1-CE2 4.49Å; F19-Y98 AromaticContact CE1-CG 3.92Å; F19-Y98 HydrophobicContact CE1-CG 3.92Å; F19-Y98 HydrophobicContact CZ-CD1 4.34Å
20	T	90.1	Very high	91.4	Very high	81 Å²	81	46.9 Å²	46.9	50%	0.497	28%	0.276	S	S	.	.			trans	-74.6	88	177.4	-48.5	0	0	0	0	110.7	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.2Å; T20-T22 PolarHBondContact O-N 2.92Å; T20-D23 WeakPolarHBondContact CB-OD2 3.28Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.39Å; T20-D23 PolarHBondContact O-N 2.72Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.37Å
21	F	89.9	Confident	91.7	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-47.7	-39.8	-174.2	178.4	-102.7	0	0	0	113.8	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 WeakPolarHBondContact OG1-CD2 3.43Å; F19-F21 HydrophobicContact CE2-CB 4.38Å; F19-F21 HydrophobicContact CE2-CD2 4.28Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 2.58Å; F21-D23 PolarHBondContact O-N 2.84Å; F21-D23 VanDerWaalsContact O-N 3.15Å; F21-Y24 PolarHBondContact O-N 3.12Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.07Å; F21-M26 HydrophobicContact CD2-SD 3.91Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.52Å; F21-M26 HydrophobicContact CE2-SD 3.85Å; F21-M26 HydrophobicContact CZ-CG 4.03Å; F21-R66 VanDerWaalsContact CD1-NH2 3.3Å; F21-R66 HydrophobicContact CE1-CB 4.03Å; F21-R66 VanDerWaalsContact CE1-NH2 3.34Å; F21-R66 HydrophobicContact CZ-CB 4Å; F21-R66 PolarHBondContact O-NH2 3.34Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 VanDerWaalsContact CE1-OD1 3.24Å; F21-N68 WeakPolarHBondContact CE1-OD1 2.99Å; F21-L73 HydrophobicContact CE2-CB 4.34Å; F21-L73 HydrophobicContact CZ-CB 4.28Å
22	T	92	Very high	91.7	Very high	51 Å²	51	42.8 Å²	42.8	31%	0.313	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.7	-178.6	50	0	0	0	0	114.6	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.2Å; T20-T22 PolarHBondContact O-N 2.92Å; T22-N45 VanDerWaalsContact O-CB 3.28Å; T22-N45 WeakPolarHBondContact O-CB 3.44Å; T22-N68 HydrophobicContact CG2-CB 3.71Å
23	D	91.3	Very high	91.6	Very high	93 Å²	93	47.3 Å²	47.3	50%	0.497	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-89.9	-19.9	-168.7	-59.6	-10.8	0	0	0	111.6	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.28Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.39Å; T20-D23 PolarHBondContact O-N 2.72Å; F21-D23 PolarHBondContact O-N 2.84Å; F21-D23 VanDerWaalsContact O-N 3.15Å; D23-N45 PolarHBondContact O-ND2 2.94Å
24	Y	92.1	Very high	91.5	Very high	93 Å²	93	48.2 Å²	48.2	37%	0.365	31%	0.314	S	S	.	.	S	Bend	trans	-104	152.7	-174.2	-62.1	-83.8	0	0	0	112.9	F19 T20 F21 R66 R92	F19-Y24 HydrophobicContact CB-CE2 4.28Å; F19-Y24 AromaticContact CD2-CD2 3.56Å; F19-Y24 HydrophobicContact CD2-CD2 3.56Å; F19-Y24 AromaticContact CD2-CE2 3.99Å; F19-Y24 HydrophobicContact CD2-CE2 3.99Å; F19-Y24 HydrophobicContact CD2-CG 4.37Å; F19-Y24 HydrophobicContact CE2-CD2 4.15Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.37Å; F21-Y24 PolarHBondContact O-N 3.12Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; Y24-R92 HydrophobicContact CD1-CG 3.93Å; Y24-R92 HydrophobicContact CG-CG 3.85Å
25	Y	94.6	Very high	91.4	Very high	57 Å²	57	54.4 Å²	54.4	22%	0.224	34%	0.34	C	S	.	.			trans	-74	151.9	164.3	-58.5	-2.7	0	0	0	108.2	I43 R44 N45 N48 G93	Y25-I43 WeakPolarHBondContact CA-O 3.33Å; Y25-R44 HydrophobicContact CD1-CB 3.89Å; Y25-R44 HydrophobicContact CD1-CG 4.27Å; Y25-R44 HydrophobicContact CD2-CG 4.23Å; Y25-R44 HydrophobicContact CE1-CB 3.78Å; Y25-R44 HydrophobicContact CE1-CG 4.08Å; Y25-R44 HydrophobicContact CE2-CG 4.05Å; Y25-R44 HydrophobicContact CG-CB 4.37Å; Y25-R44 HydrophobicContact CG-CG 4.35Å; Y25-N45 HydrophobicContact CD1-CB 4.12Å; Y25-N45 VanDerWaalsContact CD1-N 3.31Å; Y25-N45 HydrophobicContact CE1-CB 4.3Å; Y25-N48 HydrophobicContact CE1-CB 4.41Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.15Å; Y25-N48 VanDerWaalsContact OH-CG 3.25Å; Y25-N48 PolarHBondContact OH-OD1 3.12Å; Y25-G93 WeakPolarHBondContact O-CA 3.38Å; Y25-G93 PolarHBondContact O-N 2.81Å
26	M	94.6	Very high	91.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.3	-176.9	-62.9	-56.9	-55.5	0	0	109.7	T16 F19 F21 F42 I43 L73	T16-M26 HydrophobicContact CG2-CE 4.02Å; F19-M26 HydrophobicContact CE2-SD 4.02Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.11Å; F21-M26 HydrophobicContact CD2-CE 4.25Å; F21-M26 HydrophobicContact CD2-CG 4.07Å; F21-M26 HydrophobicContact CD2-SD 3.91Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.52Å; F21-M26 HydrophobicContact CE2-SD 3.85Å; F21-M26 HydrophobicContact CZ-CG 4.03Å; M26-F42 CarbonylContact O-C 3.51Å; M26-F42 WeakPolarHBondContact O-CA 3.43Å; M26-F42 VanDerWaalsContact O-CB 3.31Å; M26-F42 WeakPolarHBondContact O-CB 2.94Å; M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 3.33Å; M26-I43 PolarHBondContact O-N 3.1Å; M26-L73 HydrophobicContact CB-CD1 3.58Å; M26-L73 HydrophobicContact CB-CD2 3.8Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.38Å
27	S	95.1	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.5	-173.3	-64.6	0	0	0	0	110.8	G41 F42 C90 A91 G93	S27-G41 CarbonylContact C-O 3.58Å; S27-G41 WeakPolarHBondContact CA-O 3.3Å; S27-F42 WeakPolarHBondContact OG-CB 3.27Å; S27-C90 CarbonylContact O-C 3.46Å; S27-C90 VanDerWaalsContact O-CA 3.31Å; S27-C90 WeakPolarHBondContact O-CA 3.37Å; S27-A91 PolarHBondContact N-O 2.69Å; S27-A91 PolarHBondContact O-N 2.83Å; S27-G93 PolarHBondContact OG-O 2.76Å
28	W	95.1	Very high	92.2	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.7	163.9	-80.3	99.4	0	0	0	109.9	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ2 4.28Å; L12-W28 HydrophobicContact CB-CZ3 4.44Å; L12-W28 HydrophobicContact CD1-CH2 4.4Å; L12-W28 HydrophobicContact CD1-CZ3 4.16Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 4.05Å; W28-L40 HydrophobicContact CB-CB 4.2Å; W28-L40 HydrophobicContact CB-CD1 4.43Å; W28-L40 WeakPolarHBondContact O-CB 3.49Å; W28-L40 PolarHBondContact O-N 2.89Å; W28-G41 PolarHBondContact N-O 3.39Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.25Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; W28-Y74 PolarHBondContact NE1-O 2.64Å; W28-L75 HydrophobicContact CB-CD2 4.43Å; W28-L75 HydrophobicContact CD2-CB 3.91Å; W28-L75 HydrophobicContact CD2-CD2 4.1Å; W28-L75 HydrophobicContact CD2-CG 4.49Å; W28-L75 HydrophobicContact CE3-CD2 4.35Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 4.2Å; W28-L75 HydrophobicContact CG-CD2 4.14Å; W28-L75 HydrophobicContact CG-CG 4.42Å; W28-L75 HydrophobicContact CZ2-CB 3.93Å; W28-Y89 WeakPolarHBondContact CA-O 3.42Å; W28-Y89 VanDerWaalsContact CE3-O 3.26Å; W28-C90 HydrophobicContact CH2-CB 4.42Å; W28-C90 HydrophobicContact CZ3-CB 4.39Å
29	V	94.4	Very high	92.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	177.3	-175.9	0	0	0	0	107.3	L37 E38 Y88 Y89 F96 W99	V29-L37 HydrophobicContact CG1-CB 3.92Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; V29-Y88 CarbonylContact O-C 3.58Å; V29-Y88 WeakPolarHBondContact O-CA 3.22Å; V29-Y89 PolarHBondContact N-O 3.1Å; V29-Y89 PolarHBondContact O-N 3.15Å; V29-F96 HydrophobicContact CG2-CD1 4.22Å; V29-F96 HydrophobicContact CG2-CE1 3.62Å; V29-F96 HydrophobicContact CG2-CZ 4.5Å; V29-W99 HydrophobicContact CB-CH2 4.06Å; V29-W99 HydrophobicContact CB-CZ3 3.77Å; V29-W99 HydrophobicContact CG1-CH2 3.94Å; V29-W99 HydrophobicContact CG1-CZ3 3.92Å; V29-W99 HydrophobicContact CG2-CH2 3.83Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å
30	R	93.9	Very high	92.9	Very high	22 Å²	22	55.2 Å²	55.2	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.7	171.1	68.3	173.6	179.8	174.7	0.1	111.7	L37 E38 L40 E83 A86 T87 Y88	R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.47Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 PolarHBondContact N-O 3.19Å; R30-E38 IonicContact NE-OE2 2.64Å; R30-E38 PolarHBondContact NE-OE2 3.23Å; R30-E38 IonicContact NH2-OE1 3.18Å; R30-E38 PolarHBondContact NH2-OE1 2.85Å; R30-E38 IonicContact NH2-OE2 3.48Å; R30-E38 PolarHBondContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 2.76Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.07Å; R30-L40 HydrophobicContact CG-CD2 3.72Å; R30-L40 HydrophobicContact CG-CG 4.01Å; R30-E83 PolarHBondContact NH1-O 2.9Å; R30-E83 VanDerWaalsContact NH1-O 3.1Å; R30-A86 HydrophobicContact CB-CB 3.96Å; R30-A86 HydrophobicContact CG-CB 4.4Å; R30-T87 CarbonylContact C-O 3.59Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.42Å; R30-Y88 HydrophobicContact CB-CD1 3.98Å; R30-Y88 HydrophobicContact CB-CE1 4.06Å; R30-Y88 HydrophobicContact CB-CG 4.28Å
31	Q	93.9	Very high	93.2	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	103.5	172	-168.6	178.3	24.3	0	0	109.1	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.35Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.29Å; Q31-A86 WeakPolarHBondContact O-CA 3.45Å; Q31-A86 WeakPolarHBondContact O-CB 3.35Å; Q31-T87 PolarHBondContact N-O 2.85Å; Q31-T87 PolarHBondContact O-N 3.39Å; Q31-Y89 HydrophobicContact CB-CE2 3.85Å; Q31-Y89 PolarHBondContact OE1-OH 3.05Å
32	P	91.8	Very high	93.4	Very high	17 Å²	17	51.8 Å²	51.8	11%	0.11	29%	0.289	C	S	.	.			trans	-65.6	151.6	169.6	-16.3	29.9	0	0	0	110.7	G34 K35	P32-G34 PolarHBondContact O-N 2.94Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 4.02Å; P32-K35 HydrophobicContact CB-CG 4.24Å; P32-K35 HydrophobicContact CG-CB 4.21Å; P32-K35 HydrophobicContact CG-CD 4.29Å; P32-K35 PolarHBondContact O-N 3.17Å
33	P	90.3	Very high	93.6	Very high	107 Å²	107	49.8 Å²	49.8	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	127.4	177	-25.1	34	0	0	0	111.9	K35 S85	P33-K35 PolarHBondContact O-N 3.17Å; P33-S85 WeakPolarHBondContact CD-O 3.32Å
34	G	92	Very high	93.8	Very high	93 Å²	93	48.6 Å²	48.6	96%	0.959	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	11.1	179.8	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 2.94Å
35	K	92.3	Very high	93.9	Very high	143 Å²	143	45.1 Å²	45.1	62%	0.622	25%	0.253	S	S	*	.	S	Bend	trans	-120.2	162.7	179.6	-61.7	-169.9	-178.8	179.9	0	112.2	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.35Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 4.02Å; P32-K35 HydrophobicContact CB-CG 4.24Å; P32-K35 HydrophobicContact CG-CB 4.21Å; P32-K35 HydrophobicContact CG-CD 4.29Å; P32-K35 PolarHBondContact O-N 3.17Å; P33-K35 PolarHBondContact O-N 3.17Å
36	A	92.9	Very high	93.8	Very high	84 Å²	84	49.7 Å²	49.7	69%	0.694	27%	0.273	S	S	*	.			trans	-66.1	164.2	172.9	0	0	0	0	0	111.8
37	L	93.1	Very high	93.7	Very high	91 Å²	91	53.9 Å²	53.9	48%	0.476	31%	0.308	S	S	.	.			trans	-63.3	136.1	171.8	-72.6	163.6	0	0	0	110.5	V29 R30 Q31 Y89 W99	V29-L37 HydrophobicContact CG1-CB 3.92Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.29Å; L37-Y89 HydrophobicContact CD2-CD2 4.08Å; L37-Y89 HydrophobicContact CD2-CE2 3.96Å; L37-W99 HydrophobicContact CD1-CH2 4.1Å; L37-W99 HydrophobicContact CD2-CZ3 4.42Å
38	E	93.4	Very high	93.6	Very high	54 Å²	54	57.3 Å²	57.3	25%	0.252	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.2	177.1	-175.5	-170.1	170.8	0	0	109.1	V29 R30 S57	V29-E38 CarbonylContact C-O 3.45Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.39Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 PolarHBondContact N-O 3.19Å; R30-E38 IonicContact NE-OE2 2.64Å; R30-E38 PolarHBondContact NE-OE2 3.23Å; R30-E38 IonicContact NH2-OE1 3.18Å; R30-E38 PolarHBondContact NH2-OE1 2.85Å; R30-E38 IonicContact NH2-OE2 3.48Å; R30-E38 PolarHBondContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact O-N 2.76Å; E38-S57 VanDerWaalsContact OE1-CB 3.28Å; E38-S57 WeakPolarHBondContact OE1-CB 3.22Å; E38-S57 PolarHBondContact OE1-OG 2.91Å
39	W	94	Very high	93.6	Very high	82 Å²	82	59.7 Å²	59.7	31%	0.311	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.8	171.4	175.1	80.2	0	0	0	110.6	G41 F42 E53 S55 F96	W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 3.27Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.48Å; W39-F42 AromaticContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CD1 3.47Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CE1 4.04Å; W39-F42 HydrophobicContact CZ2-CG 4.33Å; W39-E53 HydrophobicContact CH2-CB 4.32Å; W39-S55 VanDerWaalsContact O-CB 3.27Å; W39-S55 WeakPolarHBondContact O-CB 3.34Å; W39-S55 PolarHBondContact O-OG 3.47Å; W39-F96 AromaticContact CD1-CZ 3.79Å
40	L	94.1	Very high	93.6	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-36	-177.6	-63.6	-175.2	0	0	0	113.1	W28 R30 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.2Å; W28-L40 HydrophobicContact CB-CD1 4.43Å; W28-L40 WeakPolarHBondContact O-CB 3.49Å; W28-L40 PolarHBondContact O-N 2.89Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 4.07Å; R30-L40 HydrophobicContact CG-CD2 3.72Å; R30-L40 HydrophobicContact CG-CG 4.01Å; L40-Y54 WeakPolarHBondContact O-CA 3.46Å; L40-S55 PolarHBondContact O-N 3.43Å; L40-S55 PolarHBondContact O-OG 2.78Å; L40-V58 HydrophobicContact CB-CG2 4.32Å; L40-V58 HydrophobicContact CD2-CG1 3.71Å; L40-V58 WeakPolarHBondContact O-CG2 3.44Å; L40-F62 HydrophobicContact CD1-CD2 4.42Å; L40-F62 HydrophobicContact CD1-CE2 4.23Å; L40-L75 HydrophobicContact CD1-CD2 4.07Å; L40-Y88 HydrophobicContact CD1-CD1 3.82Å; L40-Y88 HydrophobicContact CD1-CE1 3.62Å
41	G	95.2	Very high	93.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	169	-173.1	0	0	0	0	0	112.3	S27 W28 W39 E53	S27-G41 CarbonylContact C-O 3.58Å; S27-G41 WeakPolarHBondContact CA-O 3.3Å; W28-G41 PolarHBondContact N-O 3.39Å; W39-G41 VanDerWaalsContact CE2-CA 3.45Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 3.27Å; G41-E53 CarbonylContact C-O 3.58Å; G41-E53 WeakPolarHBondContact CA-O 3.37Å
42	F	95.7	Very high	93.8	Very high	14 Å²	14	64.7 Å²	64.7	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163	168.7	70.7	-106.2	0	0	0	111.8	M26 S27 W39 R44 T52 E53	M26-F42 CarbonylContact O-C 3.51Å; M26-F42 WeakPolarHBondContact O-CA 3.43Å; M26-F42 VanDerWaalsContact O-CB 3.31Å; M26-F42 WeakPolarHBondContact O-CB 2.94Å; S27-F42 WeakPolarHBondContact OG-CB 3.27Å; W39-F42 HydrophobicContact CH2-CD1 4.41Å; W39-F42 HydrophobicContact CZ2-CB 4.48Å; W39-F42 AromaticContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CD1 3.47Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.47Å; W39-F42 HydrophobicContact CZ2-CE1 4.04Å; W39-F42 HydrophobicContact CZ2-CG 4.33Å; F42-R44 HydrophobicContact CD2-CG 4.08Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; F42-T52 WeakPolarHBondContact O-CA 3.43Å; F42-E53 HydrophobicContact CD1-CB 4.42Å; F42-E53 HydrophobicContact CE1-CB 3.84Å; F42-E53 HydrophobicContact CE1-CG 4.3Å; F42-E53 HydrophobicContact CE2-CB 4.32Å; F42-E53 HydrophobicContact CE2-CG 4.35Å; F42-E53 HydrophobicContact CZ-CB 3.78Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 PolarHBondContact N-O 2.82Å; F42-E53 PolarHBondContact O-N 2.81Å; F42-E53 VanDerWaalsContact O-N 3.1Å
43	I	96.1	Very high	93.9	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.046	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.2	167.3	-173.5	160.9	0	0	0	109.8	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 3.33Å; M26-I43 HydrophobicContact CB-CG2 4.08Å; M26-I43 PolarHBondContact N-O 3.33Å; M26-I43 PolarHBondContact O-N 3.1Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.86Å; I43-T52 HydrophobicContact CG1-CG2 3.72Å; I43-I64 HydrophobicContact CB-CG2 3.77Å; I43-I64 HydrophobicContact CG2-CG2 3.66Å; I43-R66 HydrophobicContact CD1-CB 4.48Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; I43-L73 HydrophobicContact CG2-CD1 3.55Å
44	R	95	Very high	94.2	Very high	68 Å²	68	65.3 Å²	65.3	26%	0.257	37%	0.372	S	S	.	.			trans	-71.9	166.3	176.2	-58.9	-162.3	175.1	107.7	-1.9	111.6	Y25 F42 N48 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 3.89Å; Y25-R44 HydrophobicContact CD1-CG 4.27Å; Y25-R44 HydrophobicContact CD2-CG 4.23Å; Y25-R44 HydrophobicContact CE1-CB 3.78Å; Y25-R44 HydrophobicContact CE1-CG 4.08Å; Y25-R44 HydrophobicContact CE2-CG 4.05Å; Y25-R44 HydrophobicContact CG-CB 4.37Å; Y25-R44 HydrophobicContact CG-CG 4.35Å; F42-R44 HydrophobicContact CD2-CG 4.08Å; F42-R44 HydrophobicContact CE2-CG 3.54Å; R44-N48 HydrophobicContact CB-CB 3.8Å; R44-N48 HydrophobicContact CG-CB 4.3Å; R44-T51 VanDerWaalsContact CD-OG1 3.3Å; R44-T51 WeakPolarHBondContact CD-OG1 3.11Å; R44-T51 PolarHBondContact N-O 2.91Å; R44-T51 PolarHBondContact NH1-OG1 2.84Å; R44-E53 IonicContact CZ-OE1 3.42Å; R44-E53 IonicContact NH1-OE1 3.66Å; R44-E53 IonicContact NH2-OE1 2.74Å; R44-E53 PolarHBondContact NH2-OE1 3.14Å; R44-R66 PolarHBondContact O-NH1 3.07Å
45	N	93.7	Very high	94.2	Very high	20 Å²	20	61.6 Å²	61.6	11%	0.107	33%	0.331	C	S	.	.			trans	-73.2	179.9	173.8	68.9	8.7	0	0	0	111.6	T22 D23 Y25 A47 N48 Y50	T22-N45 VanDerWaalsContact O-CB 3.28Å; T22-N45 WeakPolarHBondContact O-CB 3.44Å; D23-N45 PolarHBondContact O-ND2 2.94Å; Y25-N45 HydrophobicContact CD1-CB 4.12Å; Y25-N45 VanDerWaalsContact CD1-N 3.31Å; Y25-N45 HydrophobicContact CE1-CB 4.3Å; N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 2.87Å; N45-A47 PolarHBondContact OD1-N 3.3Å; N45-N48 PolarHBondContact O-N 3.18Å; N45-N48 PolarHBondContact OD1-N 3.42Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 3.38Å; N45-Y50 PolarHBondContact O-N 2.75Å; N45-Y50 VanDerWaalsContact O-N 3.15Å
46	K	92.4	Very high	94.2	Very high	152 Å²	152	59.6 Å²	59.6	66%	0.661	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.9	-39.8	179	-172	176.5	177.4	-177.6	0	112.4	N48 G49 Y50	K46-N48 PolarHBondContact O-N 2.95Å; K46-G49 PolarHBondContact O-N 3.06Å; K46-Y50 HydrophobicContact CB-CE1 3.83Å; K46-Y50 HydrophobicContact CB-CE2 4.18Å; K46-Y50 WeakPolarHBondContact CB-OH 3.03Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 3.93Å; K46-Y50 WeakPolarHBondContact CG-OH 3.31Å
47	A	92.8	Very high	94	Very high	89 Å²	89	57.7 Å²	57.7	74%	0.736	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-61	-27.9	-178	0	0	0	0	0	112.5	N45	N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 2.87Å; N45-A47 PolarHBondContact OD1-N 3.3Å
48	N	94.1	Very high	93.8	Very high	72 Å²	72	53.4 Å²	53.4	39%	0.385	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-106.8	27.1	177.7	-58.1	99.1	0	0	0	113	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.41Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.15Å; Y25-N48 VanDerWaalsContact OH-CG 3.25Å; Y25-N48 PolarHBondContact OH-OD1 3.12Å; R44-N48 HydrophobicContact CB-CB 3.8Å; R44-N48 HydrophobicContact CG-CB 4.3Å; N45-N48 PolarHBondContact O-N 3.18Å; N45-N48 PolarHBondContact OD1-N 3.42Å; N45-N48 VanDerWaalsContact OD1-N 3.11Å; N45-N48 PolarHBondContact OD1-OD1 3.38Å; K46-N48 PolarHBondContact O-N 2.95Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 3.21Å; N48-T51 PolarHBondContact O-OG1 2Å; N48-T51 VanDerWaalsContact O-OG1 3.05Å
49	G	93.8	Very high	93.7	Very high	55 Å²	55	58.4 Å²	58.4	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	20.6	167.4	0	0	0	0	0	115.5	K46 T51	K46-G49 PolarHBondContact O-N 3.06Å; G49-T51 PolarHBondContact O-N 3.04Å
50	Y	94.9	Very high	93.5	Very high	92 Å²	92	58.3 Å²	58.3	36%	0.361	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	26.5	-177.8	-56.5	-62.1	0	0	0	114.6	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 2.75Å; N45-Y50 VanDerWaalsContact O-N 3.15Å; K46-Y50 HydrophobicContact CB-CE1 3.83Å; K46-Y50 HydrophobicContact CB-CE2 4.18Å; K46-Y50 WeakPolarHBondContact CB-OH 3.03Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 3.93Å; K46-Y50 WeakPolarHBondContact CG-OH 3.31Å; N48-Y50 VanDerWaalsContact C-N 3.33Å; N48-Y50 PolarHBondContact O-N 3.21Å; Y50-R66 HydrophobicContact CD1-CG 4.44Å; Y50-N68 PolarHBondContact OH-ND2 3Å; Y50-N68 VanDerWaalsContact OH-ND2 3.12Å
51	T	95.6	Very high	93.4	Very high	61 Å²	61	60.9 Å²	60.9	37%	0.374	36%	0.355	S	S	.	.			trans	-62.5	145.6	177.7	47.7	0	0	0	0	110.7	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.3Å; R44-T51 WeakPolarHBondContact CD-OG1 3.11Å; R44-T51 PolarHBondContact N-O 2.91Å; R44-T51 PolarHBondContact NH1-OG1 2.84Å; N48-T51 PolarHBondContact O-OG1 2Å; N48-T51 VanDerWaalsContact O-OG1 3.05Å; G49-T51 PolarHBondContact O-N 3.04Å
52	T	95.9	Very high	93.3	Very high	54 Å²	54	61.1 Å²	61.1	33%	0.331	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.3	-177.8	51.1	0	0	0	0	110.9	F42 I43 Y54	F42-T52 WeakPolarHBondContact O-CA 3.43Å; I43-T52 HydrophobicContact CB-CG2 3.84Å; I43-T52 HydrophobicContact CD1-CG2 3.86Å; I43-T52 HydrophobicContact CG1-CG2 3.72Å; T52-Y54 VanDerWaalsContact OG1-CE2 3.32Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.15Å; T52-Y54 PolarHBondContact OG1-OH 3.28Å
53	E	95.3	Very high	93.2	Very high	83 Å²	83	63.8 Å²	63.8	39%	0.388	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.6	171.4	-69.6	-178.4	-146.9	0	0	108.9	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.32Å; G41-E53 CarbonylContact C-O 3.58Å; G41-E53 WeakPolarHBondContact CA-O 3.37Å; F42-E53 HydrophobicContact CD1-CB 4.42Å; F42-E53 HydrophobicContact CE1-CB 3.84Å; F42-E53 HydrophobicContact CE1-CG 4.3Å; F42-E53 HydrophobicContact CE2-CB 4.32Å; F42-E53 HydrophobicContact CE2-CG 4.35Å; F42-E53 HydrophobicContact CZ-CB 3.78Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.8Å; F42-E53 PolarHBondContact N-O 2.82Å; F42-E53 PolarHBondContact O-N 2.81Å; F42-E53 VanDerWaalsContact O-N 3.1Å; R44-E53 IonicContact CZ-OE1 3.42Å; R44-E53 IonicContact NH1-OE1 3.66Å; R44-E53 IonicContact NH2-OE1 2.74Å; R44-E53 PolarHBondContact NH2-OE1 3.14Å
54	Y	95.1	Very high	93.3	Very high	54 Å²	54	63.6 Å²	63.6	21%	0.212	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.4	-174.3	-60.9	-86.5	0	0	0	109.8	L40 T52 V58 F62 I64	L40-Y54 WeakPolarHBondContact O-CA 3.46Å; T52-Y54 VanDerWaalsContact OG1-CE2 3.32Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.15Å; T52-Y54 PolarHBondContact OG1-OH 3.28Å; Y54-V58 HydrophobicContact CD1-CG2 4.4Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; Y54-I64 HydrophobicContact CD1-CD1 4.35Å; Y54-I64 HydrophobicContact CE1-CB 4.34Å; Y54-I64 HydrophobicContact CE1-CD1 4Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.93Å
55	S	93.6	Very high	93.3	Very high	16 Å²	16	62.3 Å²	62.3	11%	0.112	37%	0.374	C	S	.	.			trans	-67.1	154.4	168.5	71.9	0	0	0	0	110.6	W39 L40 S57 V58 K59	W39-S55 VanDerWaalsContact O-CB 3.27Å; W39-S55 WeakPolarHBondContact O-CB 3.34Å; W39-S55 PolarHBondContact O-OG 3.47Å; L40-S55 PolarHBondContact O-N 3.43Å; L40-S55 PolarHBondContact O-OG 2.78Å; S55-S57 PolarHBondContact O-N 2.82Å; S55-S57 VanDerWaalsContact O-N 3.12Å; S55-S57 PolarHBondContact OG-OG 2.85Å; S55-V58 PolarHBondContact O-N 3.12Å; S55-K59 PolarHBondContact O-N 2.85Å
56	A	91.8	Very high	93.4	Very high	100 Å²	100	62.9 Å²	62.9	83%	0.826	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.9	-179.9	0	0	0	0	0	112.7	V58	A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 3.16Å
57	S	87.4	Confident	93.5	Very high	45 Å²	45	57.8 Å²	57.8	32%	0.315	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.1	-178.1	61.3	0	0	0	0	113.4	E38 S55 R61	E38-S57 VanDerWaalsContact OE1-CB 3.28Å; E38-S57 WeakPolarHBondContact OE1-CB 3.22Å; E38-S57 PolarHBondContact OE1-OG 2.91Å; S55-S57 PolarHBondContact O-N 2.82Å; S55-S57 VanDerWaalsContact O-N 3.12Å; S55-S57 PolarHBondContact OG-OG 2.85Å; S57-R61 PolarHBondContact O-NH2 3.37Å
58	V	90	Very high	93.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-5.9	-174.5	-57.2	0	0	0	0	114.6	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.32Å; L40-V58 HydrophobicContact CD2-CG1 3.71Å; L40-V58 WeakPolarHBondContact O-CG2 3.44Å; Y54-V58 HydrophobicContact CD1-CG2 4.4Å; S55-V58 PolarHBondContact O-N 3.12Å; A56-V58 VanDerWaalsContact C-N 3.32Å; A56-V58 PolarHBondContact O-N 3.16Å; V58-G60 PolarHBondContact O-N 2.86Å; V58-R61 PolarHBondContact O-N 3.38Å; V58-F62 HydrophobicContact CB-CB 4.07Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.51Å; V58-F62 HydrophobicContact CB-CE2 3.97Å; V58-F62 HydrophobicContact CB-CG 3.74Å; V58-F62 HydrophobicContact CG1-CD2 3.49Å; V58-F62 VanDerWaalsContact CG1-CD2 3.49Å; V58-F62 HydrophobicContact CG1-CE2 3.41Å; V58-F62 VanDerWaalsContact CG1-CE2 3.41Å; V58-F62 HydrophobicContact CG1-CG 4.15Å; V58-F62 HydrophobicContact CG1-CZ 4.02Å; V58-F62 HydrophobicContact CG2-CB 4.35Å; V58-F62 HydrophobicContact CG2-CD2 4.08Å; V58-F62 HydrophobicContact CG2-CG 4.43Å; V58-F62 PolarHBondContact O-N 2.79Å; V58-F62 VanDerWaalsContact O-N 3.07Å
59	K	91.2	Very high	93.4	Very high	159 Å²	159	57 Å²	57	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	130.3	177.9	-166.7	173.3	-174.5	177.7	0	111	S55 R61	S55-K59 PolarHBondContact O-N 2.85Å; K59-R61 PolarHBondContact O-N 3Å
60	G	90.4	Very high	93.4	Very high	80 Å²	80	59.6 Å²	59.6	83%	0.825	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.9	-178.8	0	0	0	0	0	115.4	V58	V58-G60 PolarHBondContact O-N 2.86Å
61	R	90.9	Very high	93.3	Very high	55 Å²	55	57 Å²	57	21%	0.208	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-36.5	177	-62.6	-169.3	-64.9	144.6	-3.3	112.8	S57 V58 K59 N78	S57-R61 PolarHBondContact O-NH2 3.37Å; V58-R61 PolarHBondContact O-N 3.38Å; K59-R61 PolarHBondContact O-N 3Å; R61-N78 WeakPolarHBondContact O-CB 3.47Å; R61-N78 PolarHBondContact O-N 2.81Å
62	F	92.6	Very high	93.3	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	151.7	-177.7	-65.6	5.7	0	0	0	110.8	L40 Y54 V58 L75 Q76 M77 Y88	L40-F62 HydrophobicContact CD1-CD2 4.42Å; L40-F62 HydrophobicContact CD1-CE2 4.23Å; Y54-F62 WeakPolarHBondContact CE1-O 3.31Å; V58-F62 HydrophobicContact CB-CB 4.07Å; V58-F62 HydrophobicContact CB-CD1 4.39Å; V58-F62 HydrophobicContact CB-CD2 3.51Å; V58-F62 HydrophobicContact CB-CE2 3.97Å; V58-F62 HydrophobicContact CB-CG 3.74Å; V58-F62 HydrophobicContact CG1-CD2 3.49Å; V58-F62 VanDerWaalsContact CG1-CD2 3.49Å; V58-F62 HydrophobicContact CG1-CE2 3.41Å; V58-F62 VanDerWaalsContact CG1-CE2 3.41Å; V58-F62 HydrophobicContact CG1-CG 4.15Å; V58-F62 HydrophobicContact CG1-CZ 4.02Å; V58-F62 HydrophobicContact CG2-CB 4.35Å; V58-F62 HydrophobicContact CG2-CD2 4.08Å; V58-F62 HydrophobicContact CG2-CG 4.43Å; V58-F62 PolarHBondContact O-N 2.79Å; V58-F62 VanDerWaalsContact O-N 3.07Å; F62-L75 HydrophobicContact CB-CD1 4.08Å; F62-L75 HydrophobicContact CD2-CD1 4.17Å; F62-L75 HydrophobicContact CD2-CD2 4.19Å; F62-L75 HydrophobicContact CD2-CG 4.41Å; F62-L75 HydrophobicContact CE2-CD2 4.5Å; F62-L75 HydrophobicContact CG-CD1 4.48Å; F62-Q76 CarbonylContact C-O 3.47Å; F62-Q76 WeakPolarHBondContact CA-O 3.43Å; F62-M77 HydrophobicContact CD1-CB 3.77Å; F62-M77 HydrophobicContact CD1-CG 3.85Å; F62-M77 HydrophobicContact CD2-CG 3.94Å; F62-M77 HydrophobicContact CE1-CB 3.62Å; F62-M77 HydrophobicContact CE1-CG 3.79Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 4.09Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 3.96Å; F62-M77 HydrophobicContact CZ-CB 4.06Å; F62-M77 HydrophobicContact CZ-CG 3.79Å; F62-M77 HydrophobicContact CZ-SD 4.06Å; F62-Y88 HydrophobicContact CE2-CE1 4.4Å
63	T	95.6	Very high	93.3	Very high	69 Å²	69	52.9 Å²	52.9	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.9	176.4	-52.3	0	0	0	0	109.3	Q76	T63-Q76 PolarHBondContact N-O 3.01Å; T63-Q76 PolarHBondContact O-N 3.09Å
64	I	96.2	Very high	93.3	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.1	175.4	-61.6	168.5	0	0	0	108.2	I43 Y54 L73 Y74 L75	I43-I64 HydrophobicContact CB-CG2 3.77Å; I43-I64 HydrophobicContact CG2-CG2 3.66Å; Y54-I64 HydrophobicContact CD1-CD1 4.35Å; Y54-I64 HydrophobicContact CE1-CB 4.34Å; Y54-I64 HydrophobicContact CE1-CD1 4Å; Y54-I64 HydrophobicContact CE1-CG1 3.85Å; Y54-I64 PolarHBondContact OH-N 2.93Å; I64-L73 HydrophobicContact CG2-CD1 3.89Å; I64-Y74 WeakPolarHBondContact CA-O 3.21Å; I64-L75 HydrophobicContact CD1-CD1 4.42Å; I64-L75 HydrophobicContact CG1-CD1 3.57Å
65	S	96.3	Very high	93.4	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.4	172.6	61.2	0	0	0	0	110.3	Y74	S65-Y74 PolarHBondContact N-O 2.84Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 2.96Å; S65-Y74 WeakPolarHBondContact OG-CB 3.43Å
66	R	95.4	Very high	93.4	Very high	32 Å²	32	49.9 Å²	49.9	12%	0.121	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.6	-176.4	63.2	-173.3	-69.3	164.2	7.2	111.1	F21 Y24 I43 R44 Y50 N68 I72 L73	F21-R66 VanDerWaalsContact CD1-NH2 3.3Å; F21-R66 HydrophobicContact CE1-CB 4.03Å; F21-R66 VanDerWaalsContact CE1-NH2 3.34Å; F21-R66 HydrophobicContact CZ-CB 4Å; F21-R66 PolarHBondContact O-NH2 3.34Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; I43-R66 HydrophobicContact CD1-CB 4.48Å; I43-R66 HydrophobicContact CD1-CG 3.87Å; I43-R66 HydrophobicContact CG2-CB 4.44Å; R44-R66 PolarHBondContact O-NH1 3.07Å; Y50-R66 HydrophobicContact CD1-CG 4.44Å; R66-N68 VanDerWaalsContact CZ-OD1 3.31Å; R66-N68 PolarHBondContact NE-OD1 3.34Å; R66-N68 PolarHBondContact NH2-OD1 2.66Å; R66-I72 CarbonylContact C-O 3.52Å; R66-I72 WeakPolarHBondContact CA-O 3.29Å; R66-L73 HydrophobicContact CB-CD1 4.19Å
67	D	94.6	Very high	93.3	Very high	46 Å²	46	45.1 Å²	45.1	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.9	168	-176	-17.9	0	0	0	108.7	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CA 3.17Å; D67-S69 WeakPolarHBondContact OD1-CB 3.08Å; D67-S69 PolarHBondContact OD1-N 3.05Å; D67-S69 PolarHBondContact OD1-OG 3.01Å; D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact OD1-N 2.86Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.32Å; D67-Q70 PolarHBondContact OD2-OE1 3.37Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.31Å; D67-I72 PolarHBondContact N-O 2.8Å; D67-I72 PolarHBondContact O-N 2.87Å; D67-Y74 HydrophobicContact CB-CE2 3.84Å
68	N	92.8	Very high	93.3	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-26.6	-178.5	-73.6	-15.5	0	0	0	113.2	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.47Å; F21-N68 VanDerWaalsContact CE1-OD1 3.24Å; F21-N68 WeakPolarHBondContact CE1-OD1 2.99Å; T22-N68 HydrophobicContact CG2-CB 3.71Å; Y50-N68 PolarHBondContact OH-ND2 3Å; Y50-N68 VanDerWaalsContact OH-ND2 3.12Å; R66-N68 VanDerWaalsContact CZ-OD1 3.31Å; R66-N68 PolarHBondContact NE-OD1 3.34Å; R66-N68 PolarHBondContact NH2-OD1 2.66Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.78Å
69	S	92.1	Very high	92.8	Very high	104 Å²	104	49 Å²	49	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.8	178.4	70.9	0	0	0	0	111.4	D67	D67-S69 WeakPolarHBondContact OD1-CA 3.17Å; D67-S69 WeakPolarHBondContact OD1-CB 3.08Å; D67-S69 PolarHBondContact OD1-N 3.05Å; D67-S69 PolarHBondContact OD1-OG 3.01Å
70	Q	93.4	Very high	92.2	Very high	110 Å²	110	41.6 Å²	41.6	51%	0.514	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-5.9	179.9	-59.1	-175.4	-21.2	0	0	113.2	D67 N68 I72 Y74	D67-Q70 HydrophobicContact CB-CB 4.45Å; D67-Q70 PolarHBondContact OD1-N 2.86Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.32Å; D67-Q70 PolarHBondContact OD2-OE1 3.37Å; N68-Q70 VanDerWaalsContact C-N 3.26Å; N68-Q70 PolarHBondContact O-N 2.78Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.41Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.76Å; Q70-I72 WeakPolarHBondContact O-CG1 3.01Å; Q70-I72 PolarHBondContact O-N 2.96Å; Q70-Y74 PolarHBondContact OE1-OH 3Å
71	S	93.1	Very high	91.6	Very high	38 Å²	38	44.8 Å²	44.8	27%	0.266	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	41.3	-171.4	-58.2	0	0	0	0	113.3	T16 D67	T16-S71 PolarHBondContact N-O 2.74Å; T16-S71 PolarHBondContact OG1-O 2.78Å; T16-S71 VanDerWaalsContact OG1-O 3.05Å; D67-S71 WeakPolarHBondContact O-CA 3.35Å; D67-S71 PolarHBondContact O-N 3.31Å
72	I	95.3	Very high	90.6	Very high	28 Å²	28	44.9 Å²	44.9	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.2	-177.9	-58	-179.5	0	0	0	110.9	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.44Å; C14-I72 WeakPolarHBondContact O-CA 3.39Å; A15-I72 HydrophobicContact CB-CG1 4.23Å; R66-I72 CarbonylContact C-O 3.52Å; R66-I72 WeakPolarHBondContact CA-O 3.29Å; D67-I72 PolarHBondContact N-O 2.8Å; D67-I72 PolarHBondContact O-N 2.87Å; Q70-I72 VanDerWaalsContact C-N 3.26Å; Q70-I72 HydrophobicContact CB-CB 4.41Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.76Å; Q70-I72 WeakPolarHBondContact O-CG1 3.01Å; Q70-I72 PolarHBondContact O-N 2.96Å; I72-Y74 HydrophobicContact CB-CE2 4.02Å; I72-Y74 HydrophobicContact CG2-CD1 4.05Å; I72-Y74 HydrophobicContact CG2-CD2 4.19Å; I72-Y74 HydrophobicContact CG2-CE1 3.55Å; I72-Y74 HydrophobicContact CG2-CE2 3.69Å; I72-Y74 HydrophobicContact CG2-CG 4.35Å
73	L	96.3	Very high	89.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.1	167.5	-171.7	70.2	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.5Å; S13-L73 WeakPolarHBondContact CA-O 3.47Å; C14-L73 HydrophobicContact CB-CB 4.43Å; C14-L73 PolarHBondContact N-O 2.78Å; C14-L73 PolarHBondContact O-N 2.78Å; F21-L73 HydrophobicContact CE2-CB 4.34Å; F21-L73 HydrophobicContact CZ-CB 4.28Å; M26-L73 HydrophobicContact CB-CD1 3.58Å; M26-L73 HydrophobicContact CB-CD2 3.8Å; M26-L73 HydrophobicContact CB-CG 4.22Å; M26-L73 HydrophobicContact CG-CD1 4.38Å; W28-L73 HydrophobicContact CD2-CD2 4.3Å; W28-L73 HydrophobicContact CG-CD2 4.26Å; W28-L73 HydrophobicContact CZ2-CD2 4.25Å; W28-L73 HydrophobicContact CZ2-CG 4.32Å; I43-L73 HydrophobicContact CG2-CD1 3.55Å; I64-L73 HydrophobicContact CG2-CD1 3.89Å; R66-L73 HydrophobicContact CB-CD1 4.19Å; L73-C90 HydrophobicContact CD2-CB 3.94Å
74	Y	96.2	Very high	88.7	Confident	36 Å²	36	47.8 Å²	47.8	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146	178.3	-60.7	-79.5	0	0	0	111.7	R11 L12 W28 I64 S65 D67 Q70 I72	R11-Y74 HydrophobicContact CG-CD1 4.36Å; R11-Y74 VanDerWaalsContact NE-CD1 3.35Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.27Å; L12-Y74 CarbonylContact O-C 3.48Å; L12-Y74 WeakPolarHBondContact O-CA 3.34Å; W28-Y74 PolarHBondContact NE1-O 2.64Å; I64-Y74 WeakPolarHBondContact CA-O 3.21Å; S65-Y74 PolarHBondContact N-O 2.84Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 2.96Å; S65-Y74 WeakPolarHBondContact OG-CB 3.43Å; D67-Y74 HydrophobicContact CB-CE2 3.84Å; Q70-Y74 PolarHBondContact OE1-OH 3Å; I72-Y74 HydrophobicContact CB-CE2 4.02Å; I72-Y74 HydrophobicContact CG2-CD1 4.05Å; I72-Y74 HydrophobicContact CG2-CD2 4.19Å; I72-Y74 HydrophobicContact CG2-CE1 3.55Å; I72-Y74 HydrophobicContact CG2-CE2 3.69Å; I72-Y74 HydrophobicContact CG2-CG 4.35Å
75	L	95.3	Very high	88.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	105.1	167.5	-174.9	69	0	0	0	108.6	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.36Å; L12-L75 HydrophobicContact CB-CB 4.25Å; L12-L75 HydrophobicContact CD1-CD2 4.44Å; L12-L75 PolarHBondContact N-O 2.87Å; L12-L75 PolarHBondContact O-N 2.87Å; W28-L75 HydrophobicContact CB-CD2 4.43Å; W28-L75 HydrophobicContact CD2-CB 3.91Å; W28-L75 HydrophobicContact CD2-CD2 4.1Å; W28-L75 HydrophobicContact CD2-CG 4.49Å; W28-L75 HydrophobicContact CE3-CD2 4.35Å; W28-L75 HydrophobicContact CG-CB 4.16Å; W28-L75 HydrophobicContact CG-CD1 4.2Å; W28-L75 HydrophobicContact CG-CD2 4.14Å; W28-L75 HydrophobicContact CG-CG 4.42Å; W28-L75 HydrophobicContact CZ2-CB 3.93Å; L40-L75 HydrophobicContact CD1-CD2 4.07Å; F62-L75 HydrophobicContact CB-CD1 4.08Å; F62-L75 HydrophobicContact CD2-CD1 4.17Å; F62-L75 HydrophobicContact CD2-CD2 4.19Å; F62-L75 HydrophobicContact CD2-CG 4.41Å; F62-L75 HydrophobicContact CE2-CD2 4.5Å; F62-L75 HydrophobicContact CG-CD1 4.48Å; I64-L75 HydrophobicContact CD1-CD1 4.42Å; I64-L75 HydrophobicContact CG1-CD1 3.57Å; L75-M77 HydrophobicContact CD2-CG 3.86Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.79Å; L75-M77 HydrophobicContact CG-SD 4.38Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.03Å
76	Q	94.1	Very high	88	Confident	52 Å²	52	47 Å²	47	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.2	167.9	-177.9	64	33.3	0	0	108.2	R11 F62 T63 N78	R11-Q76 VanDerWaalsContact CB-OE1 3.3Å; F62-Q76 CarbonylContact C-O 3.47Å; F62-Q76 WeakPolarHBondContact CA-O 3.43Å; T63-Q76 PolarHBondContact N-O 3.01Å; T63-Q76 PolarHBondContact O-N 3.09Å; Q76-N78 WeakPolarHBondContact CG-OD1 3.23Å; Q76-N78 PolarHBondContact NE2-OD1 2.98Å
77	M	90.6	Very high	88	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.1	177.6	-59.8	173.6	-62.4	0	0	108	S9 L10 L12 F62 L75 L80 Y88 L105	S9-M77 CarbonylContact C-O 3.59Å; S9-M77 VanDerWaalsContact CA-O 3.23Å; S9-M77 WeakPolarHBondContact CA-O 3.21Å; L10-M77 HydrophobicContact CB-CE 3.89Å; L10-M77 HydrophobicContact CD2-CE 3.73Å; L10-M77 HydrophobicContact CG-CE 3.99Å; L10-M77 PolarHBondContact N-O 3.28Å; L10-M77 PolarHBondContact O-N 3.19Å; L12-M77 HydrophobicContact CD1-CE 3.94Å; L12-M77 HydrophobicContact CD1-SD 4.3Å; L12-M77 HydrophobicContact CG-CE 3.74Å; F62-M77 HydrophobicContact CD1-CB 3.77Å; F62-M77 HydrophobicContact CD1-CG 3.85Å; F62-M77 HydrophobicContact CD2-CG 3.94Å; F62-M77 HydrophobicContact CE1-CB 3.62Å; F62-M77 HydrophobicContact CE1-CG 3.79Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 4.09Å; F62-M77 HydrophobicContact CG-CB 4.37Å; F62-M77 HydrophobicContact CG-CG 3.96Å; F62-M77 HydrophobicContact CZ-CB 4.06Å; F62-M77 HydrophobicContact CZ-CG 3.79Å; F62-M77 HydrophobicContact CZ-SD 4.06Å; L75-M77 HydrophobicContact CD2-CG 3.86Å; L75-M77 HydrophobicContact CD2-SD 3.84Å; L75-M77 HydrophobicContact CG-CG 3.79Å; L75-M77 HydrophobicContact CG-SD 4.38Å; M77-L80 HydrophobicContact CB-CD2 4Å; M77-L80 HydrophobicContact CB-CG 4.17Å; M77-L80 HydrophobicContact CE-CD1 4.48Å; M77-L80 HydrophobicContact CE-CD2 4.4Å; M77-L80 HydrophobicContact SD-CD2 4.2Å; M77-Y88 HydrophobicContact SD-CD1 4.34Å; M77-Y88 HydrophobicContact SD-CE1 3.63Å; M77-L105 HydrophobicContact CE-CD1 3.46Å; M77-L105 VanDerWaalsContact CE-CD1 3.46Å; M77-L105 HydrophobicContact SD-CD1 4.3Å
78	N	87.4	Confident	87.9	Confident	55 Å²	55	44.5 Å²	44.5	29%	0.294	24%	0.241	S	C	.	.			trans	-99.8	150.9	176.1	-55.1	-42.1	0	0	0	109.6	S9 R61 Q76	S9-N78 PolarHBondContact OG-OD1 2.82Å; R61-N78 WeakPolarHBondContact O-CB 3.47Å; R61-N78 PolarHBondContact O-N 2.81Å; Q76-N78 WeakPolarHBondContact CG-OD1 3.23Å; Q76-N78 PolarHBondContact NE2-OD1 2.98Å
79	T	80	Confident	88	Confident	72 Å²	72	44.7 Å²	44.7	44%	0.442	24%	0.239	S	C	.	.	S	Bend	trans	54.6	54.1	179	63.4	0	0	0	0	112.3	G8 R81	G8-T79 PolarHBondContact O-N 3.31Å; T79-R81 PolarHBondContact O-N 2.96Å
80	L	77.4	Confident	88.1	Confident	4 Å²	4	40 Å²	40	2%	0.021	21%	0.207	C	C	.	.			trans	-59.9	132.8	176.8	-81.4	164.4	0	0	0	110.1	V4 G7 G8 L10 M77 V107	V4-L80 HydrophobicContact CB-CD1 4.25Å; V4-L80 HydrophobicContact CG1-CD1 3.85Å; V4-L80 HydrophobicContact CG2-CD1 4.46Å; G7-L80 PolarHBondContact N-O 3.47Å; G8-L80 PolarHBondContact O-N 3Å; L10-L80 HydrophobicContact CB-CD1 3.68Å; M77-L80 HydrophobicContact CB-CD2 4Å; M77-L80 HydrophobicContact CB-CG 4.17Å; M77-L80 HydrophobicContact CE-CD1 4.48Å; M77-L80 HydrophobicContact CE-CD2 4.4Å; M77-L80 HydrophobicContact SD-CD2 4.2Å; L80-V107 HydrophobicContact CB-CG2 4.45Å; L80-V107 HydrophobicContact CD2-CG2 4.5Å
81	R	78.3	Confident	88.1	Confident	146 Å²	146	34.8 Å²	34.8	55%	0.551	18%	0.182	S	C	*	.			trans	-110.7	168.3	174.4	-56.5	-177	-179.2	178.3	-2.5	108.7	T79 E83 G84	T79-R81 PolarHBondContact O-N 2.96Å; R81-E83 WeakPolarHBondContact CB-OE2 3.47Å; R81-E83 PolarHBondContact O-N 3.1Å; R81-E83 VanDerWaalsContact O-N 3.14Å; R81-G84 WeakPolarHBondContact O-CA 3.3Å; R81-G84 PolarHBondContact O-N 3.42Å
82	A	69.3	Low	88	Confident	57 Å²	57	35.3 Å²	35.3	47%	0.471	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.6	177.4	0	0	0	0	0	112.1	G84 S85	A82-G84 PolarHBondContact O-N 2.88Å; A82-G84 VanDerWaalsContact O-N 3.1Å; A82-S85 PolarHBondContact O-N 2.9Å; A82-S85 PolarHBondContact O-OG 3.05Å
83	E	70.6	Confident	87.1	Confident	131 Å²	131	34.4 Å²	34.4	61%	0.612	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-72.3	2.5	175.1	-45.1	76.9	-154	0	0	113.6	R30 R81 S85	R30-E83 PolarHBondContact NH1-O 2.9Å; R30-E83 VanDerWaalsContact NH1-O 3.1Å; R81-E83 WeakPolarHBondContact CB-OE2 3.47Å; R81-E83 PolarHBondContact O-N 3.1Å; R81-E83 VanDerWaalsContact O-N 3.14Å; E83-S85 VanDerWaalsContact C-N 3.32Å
84	G	77.8	Confident	85.6	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-80.6	-8.7	168.5	0	0	0	0	0	113.6	R81 A82 A86 Y88	R81-G84 WeakPolarHBondContact O-CA 3.3Å; R81-G84 PolarHBondContact O-N 3.42Å; A82-G84 PolarHBondContact O-N 2.88Å; A82-G84 VanDerWaalsContact O-N 3.1Å; G84-A86 PolarHBondContact O-N 2.98Å; G84-Y88 WeakPolarHBondContact O-CE2 3.38Å; G84-Y88 PolarHBondContact O-OH 3.03Å
85	S	87	Confident	84.2	Confident	27 Å²	27	47.3 Å²	47.3	19%	0.189	23%	0.233	C	C	.	.			trans	-69.4	111.1	177.4	-61.4	0	0	0	0	111.1	P33 A82 E83 L105 V107	P33-S85 WeakPolarHBondContact CD-O 3.32Å; A82-S85 PolarHBondContact O-N 2.9Å; A82-S85 PolarHBondContact O-OG 3.05Å; E83-S85 VanDerWaalsContact C-N 3.32Å; S85-L105 WeakPolarHBondContact CA-O 3.49Å; S85-V107 PolarHBondContact OG-N 3.12Å
86	A	91.9	Very high	83.5	Confident	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	165.7	-177.5	0	0	0	0	0	110.8	R30 Q31 G84 Y88 L105	R30-A86 HydrophobicContact CB-CB 3.96Å; R30-A86 HydrophobicContact CG-CB 4.4Å; Q31-A86 WeakPolarHBondContact O-CA 3.45Å; Q31-A86 WeakPolarHBondContact O-CB 3.35Å; G84-A86 PolarHBondContact O-N 2.98Å; A86-Y88 HydrophobicContact CB-CD2 4.26Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; A86-Y88 WeakPolarHBondContact O-CD2 3.32Å; A86-L105 PolarHBondContact N-O 3.48Å; A86-L105 VanDerWaalsContact N-O 3.12Å; A86-L105 PolarHBondContact O-N 3.48Å
87	T	94.1	Very high	82.9	Confident	26 Å²	26	52.4 Å²	52.4	16%	0.16	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.1	161.4	-55.9	0	0	0	0	109.3	R30 Q31 Y89 T104	R30-T87 CarbonylContact C-O 3.59Å; R30-T87 VanDerWaalsContact CA-O 3.22Å; R30-T87 WeakPolarHBondContact CA-O 3.42Å; Q31-T87 PolarHBondContact N-O 2.85Å; Q31-T87 PolarHBondContact O-N 3.39Å; T87-Y89 HydrophobicContact CG2-CD1 4.49Å; T87-Y89 HydrophobicContact CG2-CD2 4.45Å; T87-Y89 HydrophobicContact CG2-CE1 3.74Å; T87-Y89 HydrophobicContact CG2-CE2 3.72Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.43Å; T87-Y89 WeakPolarHBondContact O-CE2 3.42Å; T87-T104 PolarHBondContact OG1-OG1 3.27Å
88	Y	93.9	Very high	82.7	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.7	-177.4	-72.8	-103.7	0	0	0	110.3	L12 V29 R30 L40 F62 L75 M77 G84 A86 G102 T103 L105	L12-Y88 HydrophobicContact CD1-CD1 3.84Å; L12-Y88 HydrophobicContact CD1-CD2 4.16Å; L12-Y88 HydrophobicContact CD1-CG 3.59Å; V29-Y88 CarbonylContact O-C 3.58Å; V29-Y88 WeakPolarHBondContact O-CA 3.22Å; R30-Y88 HydrophobicContact CB-CD1 3.98Å; R30-Y88 HydrophobicContact CB-CE1 4.06Å; R30-Y88 HydrophobicContact CB-CG 4.28Å; L40-Y88 HydrophobicContact CD1-CD1 3.82Å; L40-Y88 HydrophobicContact CD1-CE1 3.62Å; F62-Y88 HydrophobicContact CE2-CE1 4.4Å; L75-Y88 HydrophobicContact CD2-CD1 3.9Å; L75-Y88 HydrophobicContact CD2-CE1 4.03Å; M77-Y88 HydrophobicContact SD-CD1 4.34Å; M77-Y88 HydrophobicContact SD-CE1 3.63Å; G84-Y88 WeakPolarHBondContact O-CE2 3.38Å; G84-Y88 PolarHBondContact O-OH 3.03Å; A86-Y88 HydrophobicContact CB-CD2 4.26Å; A86-Y88 HydrophobicContact CB-CE2 3.81Å; A86-Y88 WeakPolarHBondContact O-CD2 3.32Å; Y88-G102 CarbonylContact O-C 3.58Å; Y88-G102 WeakPolarHBondContact O-CA 3.28Å; Y88-T103 PolarHBondContact N-O 2.96Å; Y88-T103 PolarHBondContact O-N 2.99Å; Y88-L105 HydrophobicContact CD2-CB 4.19Å; Y88-L105 HydrophobicContact CD2-CD1 3.8Å; Y88-L105 HydrophobicContact CD2-CG 4.03Å; Y88-L105 HydrophobicContact CE2-CB 4.04Å; Y88-L105 HydrophobicContact CE2-CD1 3.75Å; Y88-L105 HydrophobicContact CE2-CG 4.22Å
89	Y	93.9	Very high	82.8	Confident	44 Å²	44	58.1 Å²	58.1	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.2	-178.9	-51	-91.2	0	0	0	109.7	W28 V29 Q31 L37 T87 W99	W28-Y89 WeakPolarHBondContact CA-O 3.42Å; W28-Y89 VanDerWaalsContact CE3-O 3.26Å; V29-Y89 PolarHBondContact N-O 3.1Å; V29-Y89 PolarHBondContact O-N 3.15Å; Q31-Y89 HydrophobicContact CB-CE2 3.85Å; Q31-Y89 PolarHBondContact OE1-OH 3.05Å; L37-Y89 HydrophobicContact CD2-CD2 4.08Å; L37-Y89 HydrophobicContact CD2-CE2 3.96Å; T87-Y89 HydrophobicContact CG2-CD1 4.49Å; T87-Y89 HydrophobicContact CG2-CD2 4.45Å; T87-Y89 HydrophobicContact CG2-CE1 3.74Å; T87-Y89 HydrophobicContact CG2-CE2 3.72Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.43Å; T87-Y89 WeakPolarHBondContact O-CE2 3.42Å; Y89-W99 HydrophobicContact CG-CE3 4.15Å; Y89-W99 HydrophobicContact CG-CZ3 4.29Å
90	C	93.7	Very high	83.1	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.4	161	51.7	0	0	0	0	108.8	C14 S27 W28 L73 G100	C14-C90 HydrophobicContact CB-CB 3.45Å; C14-C90 VanDerWaalsContact CB-CB 3.45Å; C14-C90 WeakPolarHBondContact CB-SG 3.2Å; C14-C90 WeakPolarHBondContact SG-CB 3.39Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.97Å; S27-C90 CarbonylContact O-C 3.46Å; S27-C90 VanDerWaalsContact O-CA 3.31Å; S27-C90 WeakPolarHBondContact O-CA 3.37Å; W28-C90 HydrophobicContact CH2-CB 4.42Å; W28-C90 HydrophobicContact CZ3-CB 4.39Å; L73-C90 HydrophobicContact CD2-CB 3.94Å; C90-G100 PolarHBondContact O-N 3.05Å
91	A	93.1	Very high	83.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.7	177	0	0	0	0	0	111.9	S27 F96 Y98 W99	S27-A91 PolarHBondContact N-O 2.69Å; S27-A91 PolarHBondContact O-N 2.83Å; A91-F96 HydrophobicContact CB-CD1 3.61Å; A91-F96 HydrophobicContact CB-CE1 4.21Å; A91-Y98 CarbonylContact C-O 3.56Å; A91-Y98 WeakPolarHBondContact CA-O 3.43Å; A91-Y98 WeakPolarHBondContact CB-O 3.49Å; A91-W99 HydrophobicContact CB-CD2 4.01Å; A91-W99 HydrophobicContact CB-CE3 4.12Å; A91-W99 HydrophobicContact CB-CG 4.44Å; A91-W99 HydrophobicContact CB-CZ3 4.44Å
92	R	91.1	Very high	83.8	Confident	48 Å²	48	58.8 Å²	58.8	18%	0.181	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.3	176.5	-172.8	174.4	79	166	2.8	111	F19 Y24 F96 D97 Y98	F19-R92 HydrophobicContact CE2-CG 4.36Å; Y24-R92 HydrophobicContact CD1-CG 3.93Å; Y24-R92 HydrophobicContact CG-CG 3.85Å; R92-F96 PolarHBondContact O-N 3.24Å; R92-D97 IonicContact CZ-OD1 3.43Å; R92-D97 IonicContact CZ-OD2 3.53Å; R92-D97 IonicContact NE-OD1 2.66Å; R92-D97 PolarHBondContact NE-OD1 3.2Å; R92-D97 IonicContact NE-OD2 3.54Å; R92-D97 VanDerWaalsContact NH2-CG 3.28Å; R92-D97 IonicContact NH2-OD1 2.85Å; R92-D97 PolarHBondContact NH2-OD1 3.3Å; R92-D97 IonicContact NH2-OD2 3.39Å; R92-D97 PolarHBondContact NH2-OD2 3.22Å; R92-Y98 PolarHBondContact N-O 3.43Å
93	G	76.9	Confident	84.8	Confident	9 Å²	9	58.9 Å²	58.9	9%	0.093	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-159.3	167.1	0	0	0	0	0	117.1	Y25 S27 Y95	Y25-G93 WeakPolarHBondContact O-CA 3.38Å; Y25-G93 PolarHBondContact O-N 2.81Å; S27-G93 PolarHBondContact OG-O 2.76Å; G93-Y95 VanDerWaalsContact C-N 3.35Å
94	N	64.3	Low	85.6	Confident	101 Å²	101	56 Å²	56	54%	0.54	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.9	177.7	-63.7	-11.3	0	0	0	112.7	F96	N94-F96 VanDerWaalsContact O-CD2 3.22Å; N94-F96 WeakPolarHBondContact O-CD2 3.34Å; N94-F96 WeakPolarHBondContact O-CE2 3.24Å
95	Y	67.9	Low	85.9	Confident	206 Å²	206	56.1 Å²	56.1	81%	0.808	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.9	-176.7	-62.3	-71.9	0	0	0	113	G93 D97	G93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-D97 PolarHBondContact O-N 3.11Å; Y95-D97 VanDerWaalsContact O-N 3.1Å
96	F	79.5	Confident	85.6	Confident	66 Å²	66	58.3 Å²	58.3	29%	0.289	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	40.2	178.1	-60.7	-81.4	0	0	0	112.6	V29 W39 A91 R92 N94 W99	V29-F96 HydrophobicContact CG2-CD1 4.22Å; V29-F96 HydrophobicContact CG2-CE1 3.62Å; V29-F96 HydrophobicContact CG2-CZ 4.5Å; W39-F96 AromaticContact CD1-CZ 3.79Å; A91-F96 HydrophobicContact CB-CD1 3.61Å; A91-F96 HydrophobicContact CB-CE1 4.21Å; R92-F96 PolarHBondContact O-N 3.24Å; N94-F96 VanDerWaalsContact O-CD2 3.22Å; N94-F96 WeakPolarHBondContact O-CD2 3.34Å; N94-F96 WeakPolarHBondContact O-CE2 3.24Å; F96-W99 HydrophobicContact CB-CZ2 3.66Å; F96-W99 HydrophobicContact CD1-CH2 4.05Å; F96-W99 AromaticContact CD1-CZ2 3.72Å; F96-W99 HydrophobicContact CD1-CZ2 3.72Å; F96-W99 AromaticContact CG-CZ2 3.95Å; F96-W99 HydrophobicContact CG-CZ2 3.95Å; F96-W99 PolarHBondContact O-NE1 3.31Å
97	D	82.3	Confident	84.7	Confident	94 Å²	94	58.8 Å²	58.8	50%	0.503	29%	0.294	S	S	.	.			trans	-86.5	-16.5	-176.3	55.6	-2.7	0	0	0	112.7	R92 Y95	R92-D97 IonicContact CZ-OD1 3.43Å; R92-D97 IonicContact CZ-OD2 3.53Å; R92-D97 IonicContact NE-OD1 2.66Å; R92-D97 PolarHBondContact NE-OD1 3.2Å; R92-D97 IonicContact NE-OD2 3.54Å; R92-D97 VanDerWaalsContact NH2-CG 3.28Å; R92-D97 IonicContact NH2-OD1 2.85Å; R92-D97 PolarHBondContact NH2-OD1 3.3Å; R92-D97 IonicContact NH2-OD2 3.39Å; R92-D97 PolarHBondContact NH2-OD2 3.22Å; Y95-D97 PolarHBondContact O-N 3.11Å; Y95-D97 VanDerWaalsContact O-N 3.1Å
98	Y	86.1	Confident	83.3	Confident	82 Å²	82	59.8 Å²	59.8	32%	0.322	30%	0.302	S	S	.	.	S	Bend	trans	-127	130.4	172.4	-170.7	-86.1	0	0	0	110.4	S17 F19 A91 R92	S17-Y98 PolarHBondContact O-OH 3.15Å; F19-Y98 HydrophobicContact CD1-CD1 4.34Å; F19-Y98 HydrophobicContact CD1-CD2 4.37Å; F19-Y98 HydrophobicContact CD1-CE1 4.49Å; F19-Y98 HydrophobicContact CD1-CG 4.28Å; F19-Y98 AromaticContact CE1-CD1 3.57Å; F19-Y98 HydrophobicContact CE1-CD1 3.57Å; F19-Y98 HydrophobicContact CE1-CD2 4.37Å; F19-Y98 AromaticContact CE1-CE1 3.73Å; F19-Y98 HydrophobicContact CE1-CE1 3.73Å; F19-Y98 HydrophobicContact CE1-CE2 4.49Å; F19-Y98 AromaticContact CE1-CG 3.92Å; F19-Y98 HydrophobicContact CE1-CG 3.92Å; F19-Y98 HydrophobicContact CZ-CD1 4.34Å; A91-Y98 CarbonylContact C-O 3.56Å; A91-Y98 WeakPolarHBondContact CA-O 3.43Å; A91-Y98 WeakPolarHBondContact CB-O 3.49Å; R92-Y98 PolarHBondContact N-O 3.43Å
99	W	89.3	Confident	81.6	Confident	93 Å²	93	67.5 Å²	67.5	35%	0.352	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-124.8	140.4	179.8	-68.6	76.5	0	0	0	110.9	V29 L37 Y89 A91 F96	V29-W99 HydrophobicContact CB-CH2 4.06Å; V29-W99 HydrophobicContact CB-CZ3 3.77Å; V29-W99 HydrophobicContact CG1-CH2 3.94Å; V29-W99 HydrophobicContact CG1-CZ3 3.92Å; V29-W99 HydrophobicContact CG2-CH2 3.83Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å; L37-W99 HydrophobicContact CD1-CH2 4.1Å; L37-W99 HydrophobicContact CD2-CZ3 4.42Å; Y89-W99 HydrophobicContact CG-CE3 4.15Å; Y89-W99 HydrophobicContact CG-CZ3 4.29Å; A91-W99 HydrophobicContact CB-CD2 4.01Å; A91-W99 HydrophobicContact CB-CE3 4.12Å; A91-W99 HydrophobicContact CB-CG 4.44Å; A91-W99 HydrophobicContact CB-CZ3 4.44Å; F96-W99 HydrophobicContact CB-CZ2 3.66Å; F96-W99 HydrophobicContact CD1-CH2 4.05Å; F96-W99 AromaticContact CD1-CZ2 3.72Å; F96-W99 HydrophobicContact CD1-CZ2 3.72Å; F96-W99 AromaticContact CG-CZ2 3.95Å; F96-W99 HydrophobicContact CG-CZ2 3.95Å; F96-W99 PolarHBondContact O-NE1 3.31Å
100	G	86.3	Confident	81	Confident	17 Å²	17	68.7 Å²	68.7	18%	0.175	37%	0.365	C	S	.	.			trans	-71.4	161.3	164.9	0	0	0	0	0	111.5	C90 G102	C90-G100 PolarHBondContact O-N 3.05Å; G100-G102 PolarHBondContact O-N 3.06Å
101	Q	85.6	Confident	80.3	Confident	193 Å²	193	72 Å²	72	90%	0.902	38%	0.383	S	S	*	.			trans	-59.1	-19.3	179.1	-67.9	-67.7	-42.6	0	0	113.9
102	G	86.3	Confident	79.6	Confident	27 Å²	27	76 Å²	76	28%	0.278	40%	0.404	S	S	.	.			trans	84.3	150.1	-178.5	0	0	0	0	0	112.8	Y88 G100	Y88-G102 CarbonylContact O-C 3.58Å; Y88-G102 WeakPolarHBondContact O-CA 3.28Å; G100-G102 PolarHBondContact O-N 3.06Å
103	T	88.8	Confident	79	Confident	59 Å²	59	77.6 Å²	77.6	36%	0.362	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.6	176	-67.4	0	0	0	0	109.1	L12 Y88 L105	L12-T103 HydrophobicContact CD2-CG2 4.24Å; Y88-T103 PolarHBondContact N-O 2.96Å; Y88-T103 PolarHBondContact O-N 2.99Å; T103-L105 HydrophobicContact CG2-CD2 4.35Å
104	T	88.2	Confident	79.1	Confident	71 Å²	71	81.9 Å²	81.9	44%	0.436	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.5	174	-52	0	0	0	0	110.9	G1 T87	G1-T104 WeakPolarHBondContact CA-O 3.45Å; T87-T104 PolarHBondContact OG1-OG1 3.27Å
105	L	84.2	Confident	80.1	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.037	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.4	171.8	-67	-176.9	0	0	0	110.4	L10 L12 M77 S85 A86 Y88 T103	L10-L105 HydrophobicContact CD2-CD1 3.43Å; L10-L105 VanDerWaalsContact CD2-CD1 3.43Å; L10-L105 HydrophobicContact CD2-CD2 3.48Å; L10-L105 VanDerWaalsContact CD2-CD2 3.48Å; L10-L105 HydrophobicContact CD2-CG 4.1Å; L12-L105 HydrophobicContact CD1-CD1 3.76Å; L12-L105 HydrophobicContact CD2-CD1 3.76Å; L12-L105 HydrophobicContact CD2-CD2 3.99Å; L12-L105 HydrophobicContact CD2-CG 4.13Å; L12-L105 HydrophobicContact CG-CD1 3.99Å; M77-L105 HydrophobicContact CE-CD1 3.46Å; M77-L105 VanDerWaalsContact CE-CD1 3.46Å; M77-L105 HydrophobicContact SD-CD1 4.3Å; S85-L105 WeakPolarHBondContact CA-O 3.49Å; A86-L105 PolarHBondContact N-O 3.48Å; A86-L105 VanDerWaalsContact N-O 3.12Å; A86-L105 PolarHBondContact O-N 3.48Å; Y88-L105 HydrophobicContact CD2-CB 4.19Å; Y88-L105 HydrophobicContact CD2-CD1 3.8Å; Y88-L105 HydrophobicContact CD2-CG 4.03Å; Y88-L105 HydrophobicContact CE2-CB 4.04Å; Y88-L105 HydrophobicContact CE2-CD1 3.75Å; Y88-L105 HydrophobicContact CE2-CG 4.22Å; T103-L105 HydrophobicContact CG2-CD2 4.35Å
106	T	79.9	Confident	80.9	Confident	72 Å²	72	71.7 Å²	71.7	44%	0.442	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.4	176.8	-53.3	0	0	0	0	108.5	G2 V4	G2-T106 PolarHBondContact O-N 3.33Å; V4-T106 PolarHBondContact N-O 2.84Å
107	V	72.5	Confident	81.1	Confident	12 Å²	12	72.2 Å²	72.2	7%	0.073	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.4	175	-176.6	0	0	0	0	107.3	V4 P6 L80 S85	V4-V107 WeakPolarHBondContact O-CA 3.5Å; V4-V107 WeakPolarHBondContact O-CG1 3.41Å; P6-V107 HydrophobicContact CG-CG1 4.11Å; L80-V107 HydrophobicContact CB-CG2 4.45Å; L80-V107 HydrophobicContact CD2-CG2 4.5Å; S85-V107 PolarHBondContact OG-N 3.12Å
108	S	66.4	Low	81	Confident	48 Å²	48	70.3 Å²	70.3	34%	0.336	40%	0.404	S	S	.	.			trans	-109.1	134.8	179.4	59.9	0	0	0	0	110.1	L3 V4 P6	L3-S108 VanDerWaalsContact CD1-OG 3.3Å; L3-S108 WeakPolarHBondContact CD1-OG 3.41Å; V4-S108 PolarHBondContact O-N 2.64Å; P6-S108 WeakPolarHBondContact CD-O 3.37Å
109	S	58.1	Low	80.5	Confident	163 Å²	163	69.3 Å²	69.3	100%	1.14	41%	0.412	S	S	*	.			trans	-69.8	0	171.4	61.1	0	0	0	0	112.2

Retrieved 109 of 109 residues in 61.3 ms (Link to these results)

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