X5J537_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J537, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 110 aa.

						>X5J537_MOUSE|X5J537|Ighv7-3
GGLVQPGGSLSLSCAASGFTFTDYYMSWVRQPPGKALEWLALIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNALRAEDSATYYCARGNYFDYWGQGTTLTVSSA
					

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(Predicted Aligned Error values between residue pairs)

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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	59.4	Low	86.8	Confident	94 Å²	94	65.5 Å²	65.5	97%	0.969	46%	0.46	S	S	*	.				0	155.2	0	0	0	0	0	0	110.1	T104	G1-T104 CarbonylContact C-O 3.52Å; G1-T104 WeakPolarHBondContact CA-O 3.47Å
2	G	76.6	Confident	87.6	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.3	-177.2	0	0	0	0	0	112	T104 L105 T106	G2-T104 PolarHBondContact N-O 3.44Å; G2-T104 VanDerWaalsContact N-O 3.14Å; G2-L105 WeakPolarHBondContact O-CD1 3.44Å; G2-T106 PolarHBondContact O-N 3.19Å
3	L	83.6	Confident	88.4	Confident	123 Å²	123	62.8 Å²	62.8	64%	0.644	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.7	166.8	178.4	65	0	0	0	107.7	T106 S108	L3-T106 WeakPolarHBondContact CA-O 3.38Å; L3-T106 HydrophobicContact CD1-CG2 4.04Å; L3-S108 WeakPolarHBondContact CD1-OG 3.33Å
4	V	87.5	Confident	88.9	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.5	-179.1	-173.4	0	0	0	0	109.2	L10 L80 L105 T106 V107 S108	V4-L10 HydrophobicContact CG2-CB 4.24Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; V4-L80 HydrophobicContact CB-CD1 4.2Å; V4-L80 HydrophobicContact CG1-CD1 3.86Å; V4-L80 HydrophobicContact CG2-CD1 4.43Å; V4-L105 HydrophobicContact CG2-CD1 3.8Å; V4-T106 PolarHBondContact N-O 3.45Å; V4-V107 VanDerWaalsContact O-CA 3.23Å; V4-V107 WeakPolarHBondContact O-CA 3.41Å; V4-S108 PolarHBondContact O-N 2.65Å
5	Q	88.9	Confident	89.4	Confident	131 Å²	131	60.9 Å²	60.9	61%	0.612	43%	0.431	S	S	*	.			trans	-77.1	150.4	174.3	-68.6	-172.5	-17.1	0	0	111.1	G7 G8	Q5-G7 PolarHBondContact O-N 3.23Å; Q5-G8 PolarHBondContact O-N 3.04Å
6	P	91.4	Very high	89.6	Confident	68 Å²	68	58.3 Å²	58.3	44%	0.442	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	140.3	170.8	-25.3	33.6	0	0	0	112.1	G8 L80 V107	P6-G8 PolarHBondContact O-N 3.27Å; P6-L80 CarbonylContact C-O 3.46Å; P6-V107 HydrophobicContact CB-CG1 4.45Å; P6-V107 HydrophobicContact CG-CG1 4.12Å
7	G	90.6	Very high	89.8	Confident	57 Å²	57	61.2 Å²	61.2	59%	0.588	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-12.9	-173.9	0	0	0	0	0	114.5	Q5 L80	Q5-G7 PolarHBondContact O-N 3.23Å; G7-L80 PolarHBondContact N-O 2.94Å
8	G	92.1	Very high	89.8	Confident	24 Å²	24	62.7 Å²	62.7	25%	0.247	46%	0.461	C	S	.	.			trans	-69.9	174.5	177.8	0	0	0	0	0	114.2	Q5 P6 A79 L80	Q5-G8 PolarHBondContact O-N 3.04Å; P6-G8 PolarHBondContact O-N 3.27Å; G8-A79 PolarHBondContact O-N 3.22Å; G8-L80 WeakPolarHBondContact O-CB 3.43Å; G8-L80 PolarHBondContact O-N 2.88Å
9	S	94.4	Very high	89.9	Confident	66 Å²	66	61.9 Å²	61.9	46%	0.462	45%	0.448	S	S	.	.			trans	-126.3	149.2	174.8	-64.3	0	0	0	0	111.3	M77 N78	S9-M77 CarbonylContact C-O 3.41Å; S9-M77 WeakPolarHBondContact CA-O 3.43Å; S9-M77 WeakPolarHBondContact CB-O 3.14Å; S9-N78 WeakPolarHBondContact CB-OD1 3.21Å; S9-N78 WeakPolarHBondContact OG-CA 3.47Å; S9-N78 PolarHBondContact OG-OD1 3.31Å
10	L	94.6	Very high	90.1	Very high	51 Å²	51	63 Å²	63	27%	0.267	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.6	174.8	-177.9	68	0	0	0	109.6	V4 L12 M77 L80 L105	V4-L10 HydrophobicContact CG2-CB 4.24Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; L10-L12 HydrophobicContact CD2-CD2 3.79Å; L10-L12 HydrophobicContact CG-CD2 4.42Å; L10-M77 PolarHBondContact N-O 2.8Å; L10-M77 WeakPolarHBondContact O-CB 3.22Å; L10-M77 PolarHBondContact O-N 2.78Å; L10-L80 HydrophobicContact CB-CD1 4.14Å; L10-L105 HydrophobicContact CD2-CD1 3.49Å; L10-L105 VanDerWaalsContact CD2-CD1 3.49Å; L10-L105 HydrophobicContact CD2-CD2 4.42Å
11	S	96.1	Very high	90.3	Very high	57 Å²	57	60.2 Å²	60.2	40%	0.399	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.3	166.3	-167.6	0	0	0	0	110	L75	S11-L75 WeakPolarHBondContact CA-O 3.49Å
12	L	96.6	Very high	92	Very high	15 Å²	15	57.3 Å²	57.3	8%	0.079	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145	167.7	-59	-178.6	0	0	0	109.5	L10 W28 Y74 L75 M77 Y88 T103	L10-L12 HydrophobicContact CD2-CD2 3.79Å; L10-L12 HydrophobicContact CG-CD2 4.42Å; L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ2 4.11Å; L12-W28 HydrophobicContact CB-CZ3 4.34Å; L12-W28 HydrophobicContact CD1-CZ3 4.27Å; L12-Y74 CarbonylContact O-C 3.58Å; L12-Y74 VanDerWaalsContact O-CA 3.23Å; L12-Y74 WeakPolarHBondContact O-CA 3.37Å; L12-L75 HydrophobicContact CB-CB 4.35Å; L12-L75 PolarHBondContact N-O 3.09Å; L12-L75 PolarHBondContact O-N 2.87Å; L12-M77 HydrophobicContact CD1-SD 3.61Å; L12-M77 HydrophobicContact CG-SD 3.8Å; L12-Y88 HydrophobicContact CD1-CD1 3.82Å; L12-Y88 HydrophobicContact CD1-CD2 4.14Å; L12-Y88 HydrophobicContact CD1-CG 3.58Å; L12-T103 HydrophobicContact CD1-CG2 4.09Å; L12-T103 HydrophobicContact CD2-CG2 3.96Å
13	S	96.8	Very high	92.9	Very high	80 Å²	80	60 Å²	60	56%	0.559	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.5	173.7	62.7	0	0	0	0	111.1	L73	S13-L73 CarbonylContact C-O 3.49Å; S13-L73 VanDerWaalsContact CA-O 3.32Å; S13-L73 WeakPolarHBondContact CA-O 3.4Å
14	C	96.2	Very high	93.4	Very high	17 Å²	17	58.3 Å²	58.3	12%	0.115	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	112.3	173.4	164.8	0	0	0	0	109.3	W28 I72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; C14-I72 WeakPolarHBondContact O-CA 3.4Å; C14-L73 HydrophobicContact CB-CB 4.38Å; C14-L73 PolarHBondContact N-O 2.8Å; C14-L73 PolarHBondContact O-N 2.77Å; C14-C90 HydrophobicContact CB-CB 3.42Å; C14-C90 VanDerWaalsContact CB-CB 3.42Å; C14-C90 WeakPolarHBondContact CB-SG 3.21Å; C14-C90 WeakPolarHBondContact SG-CB 3.48Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 3.12Å
15	A	95.8	Very high	93.8	Very high	80 Å²	80	59.1 Å²	59.1	66%	0.661	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.5	172.8	0	0	0	0	0	109.9	I72	A15-I72 HydrophobicContact CB-CG1 4.41Å
16	A	93.1	Very high	94.2	Very high	20 Å²	20	53.1 Å²	53.1	17%	0.165	36%	0.36	C	S	.	.			trans	-104.8	142.9	176.8	0	0	0	0	0	110.5	F19 F21 S71	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; A16-F21 HydrophobicContact CB-CD2 3.63Å; A16-F21 HydrophobicContact CB-CE2 3.88Å; A16-S71 PolarHBondContact N-O 3.5Å; A16-S71 WeakPolarHBondContact O-CB 3.32Å
17	S	92.4	Very high	94.4	Very high	107 Å²	107	50 Å²	50	75%	0.748	34%	0.34	S	S	*	.			trans	-146.1	161.2	176.8	62.3	0	0	0	0	110.5	F19	S17-F19 VanDerWaalsContact O-CD1 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.34Å
18	G	91.2	Very high	94.8	Very high	88 Å²	88	47.5 Å²	47.5	91%	0.907	31%	0.313	S	S	*	.	S	Bend	trans	81.6	10.9	176.7	0	0	0	0	0	115.7
19	F	90.3	Very high	95	Very high	49 Å²	49	46.6 Å²	46.6	22%	0.215	30%	0.302	C	S	.	.	S	Bend	trans	-158.1	163.2	173.1	62.4	-83.5	0	0	0	111.9	A16 S17 F21 Y24 M26 R92	A16-F19 HydrophobicContact CB-CE1 3.85Å; A16-F19 HydrophobicContact CB-CZ 3.61Å; S17-F19 VanDerWaalsContact O-CD1 3.28Å; S17-F19 WeakPolarHBondContact O-CD1 3.34Å; F19-F21 HydrophobicContact CE2-CB 4.43Å; F19-F21 AromaticContact CE2-CD2 3.97Å; F19-F21 HydrophobicContact CE2-CD2 3.97Å; F19-F21 HydrophobicContact CZ-CD2 4.14Å; F19-F21 PolarHBondContact O-N 3.18Å; F19-Y24 HydrophobicContact CB-CE2 4.15Å; F19-Y24 AromaticContact CD2-CD2 3.47Å; F19-Y24 HydrophobicContact CD2-CD2 3.47Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.11Å; F19-Y24 HydrophobicContact CE2-CD2 4.05Å; F19-Y24 HydrophobicContact CE2-CG 4.31Å; F19-Y24 HydrophobicContact CG-CD2 4.37Å; F19-Y24 HydrophobicContact CG-CE2 4.45Å; F19-M26 HydrophobicContact CE2-SD 4.1Å; F19-M26 HydrophobicContact CZ-CE 4.35Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F19-R92 HydrophobicContact CE2-CG 4.01Å; F19-R92 HydrophobicContact CZ-CG 4.02Å
20	T	94	Very high	95.1	Very high	82 Å²	82	44.2 Å²	44.2	50%	0.503	28%	0.283	S	S	.	.			trans	-71.2	96.5	172.6	-50.5	0	0	0	0	110	T22 D23 Y24	T20-T22 PolarHBondContact O-N 3.24Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T20-D23 VanDerWaalsContact CB-OD2 3.28Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.31Å; T20-D23 PolarHBondContact O-N 2.55Å; T20-Y24 WeakPolarHBondContact O-CD2 3.27Å
21	F	94.8	Very high	95.3	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.022	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-51.6	-41.4	-171.4	-177	-119.5	0	0	0	113.4	A16 F19 D23 Y24 M26 R66 N68 L73	A16-F21 HydrophobicContact CB-CD2 3.63Å; A16-F21 HydrophobicContact CB-CE2 3.88Å; F19-F21 HydrophobicContact CE2-CB 4.43Å; F19-F21 AromaticContact CE2-CD2 3.97Å; F19-F21 HydrophobicContact CE2-CD2 3.97Å; F19-F21 HydrophobicContact CZ-CD2 4.14Å; F19-F21 PolarHBondContact O-N 3.18Å; F21-D23 PolarHBondContact O-N 2.79Å; F21-D23 VanDerWaalsContact O-N 3.17Å; F21-Y24 PolarHBondContact O-N 2.81Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.13Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-M26 HydrophobicContact CE2-CG 3.63Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 4.16Å; F21-R66 HydrophobicContact CE1-CB 3.95Å; F21-R66 VanDerWaalsContact CE1-NH2 3.3Å; F21-R66 HydrophobicContact CZ-CB 4.13Å; F21-R66 PolarHBondContact O-NH2 3.41Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.34Å; F21-L73 HydrophobicContact CZ-CB 4.23Å
22	T	95.9	Very high	95.3	Very high	34 Å²	34	43.4 Å²	43.4	21%	0.209	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.6	-20.8	-177.5	52.5	0	0	0	0	115.1	T20 N45 K46 N68	T20-T22 PolarHBondContact O-N 3.24Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T22-N45 VanDerWaalsContact O-CB 3.32Å; T22-N45 WeakPolarHBondContact O-CB 3.29Å; T22-K46 PolarHBondContact O-N 2.83Å; T22-N68 HydrophobicContact CG2-CB 3.83Å
23	D	94.7	Very high	95.1	Very high	85 Å²	85	48 Å²	48	46%	0.455	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-89	-13.5	-172.2	-60.9	-10.2	0	0	0	112.1	T20 F21 N45	T20-D23 VanDerWaalsContact CB-OD2 3.28Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 HydrophobicContact CG2-CB 4.49Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.31Å; T20-D23 PolarHBondContact O-N 2.55Å; F21-D23 PolarHBondContact O-N 2.79Å; F21-D23 VanDerWaalsContact O-N 3.17Å; D23-N45 VanDerWaalsContact C-CB 3.42Å; D23-N45 VanDerWaalsContact O-CB 3.25Å; D23-N45 WeakPolarHBondContact O-CB 3.42Å; D23-N45 PolarHBondContact O-ND2 2.87Å
24	Y	94.6	Very high	95.1	Very high	87 Å²	87	48.7 Å²	48.7	34%	0.341	32%	0.324	S	S	.	.	S	Bend	trans	-110.4	150	-175.6	-66.7	-93	0	0	0	113	F19 T20 F21 R66 R92	F19-Y24 HydrophobicContact CB-CE2 4.15Å; F19-Y24 AromaticContact CD2-CD2 3.47Å; F19-Y24 HydrophobicContact CD2-CD2 3.47Å; F19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.11Å; F19-Y24 HydrophobicContact CE2-CD2 4.05Å; F19-Y24 HydrophobicContact CE2-CG 4.31Å; F19-Y24 HydrophobicContact CG-CD2 4.37Å; F19-Y24 HydrophobicContact CG-CE2 4.45Å; T20-Y24 WeakPolarHBondContact O-CD2 3.27Å; F21-Y24 PolarHBondContact O-N 2.81Å; Y24-R66 PolarHBondContact O-NH1 3.15Å; Y24-R66 VanDerWaalsContact O-NH1 3.15Å; Y24-R92 HydrophobicContact CD1-CG 3.85Å; Y24-R92 HydrophobicContact CG-CG 3.87Å
25	Y	95.8	Very high	95	Very high	39 Å²	39	54.8 Å²	54.8	15%	0.153	35%	0.348	C	S	.	.			trans	-72.7	140.2	166.2	-77.5	35.7	0	0	0	107.8	L42 R44 N45 N48 G93 N94	Y25-L42 HydrophobicContact CD2-CD1 3.88Å; Y25-L42 HydrophobicContact CD2-CD2 4.02Å; Y25-L42 HydrophobicContact CD2-CG 4.48Å; Y25-L42 HydrophobicContact CG-CD1 4.15Å; Y25-R44 HydrophobicContact CD1-CB 4.19Å; Y25-R44 HydrophobicContact CD2-CG 4.06Å; Y25-R44 HydrophobicContact CE1-CB 3.98Å; Y25-R44 HydrophobicContact CE1-CG 4.29Å; Y25-R44 HydrophobicContact CE2-CB 4.37Å; Y25-R44 HydrophobicContact CE2-CG 3.8Å; Y25-R44 HydrophobicContact CG-CB 4.47Å; Y25-R44 HydrophobicContact CG-CG 4.48Å; Y25-N45 HydrophobicContact CD1-CB 3.84Å; Y25-N45 HydrophobicContact CE1-CB 4.1Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.44Å; Y25-N48 PolarHBondContact OH-OD1 3.06Å; Y25-G93 PolarHBondContact O-N 3.24Å; Y25-N94 WeakPolarHBondContact CD2-OD1 3.45Å; Y25-N94 WeakPolarHBondContact CE2-OD1 3.35Å
26	M	96.6	Very high	95	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.1	-177.6	-61.5	-57.9	-53.2	0	0	109.3	F19 F21 L42 I43 L73 R92	F19-M26 HydrophobicContact CE2-SD 4.1Å; F19-M26 HydrophobicContact CZ-CE 4.35Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F21-M26 HydrophobicContact CD2-CG 4.27Å; F21-M26 HydrophobicContact CD2-SD 4.13Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-M26 HydrophobicContact CE2-CG 3.63Å; F21-M26 HydrophobicContact CE2-SD 3.84Å; F21-M26 HydrophobicContact CZ-CG 4.16Å; M26-L42 WeakPolarHBondContact O-CA 3.2Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.4Å; M26-I43 PolarHBondContact O-N 3.42Å; M26-L73 HydrophobicContact CB-CD1 3.64Å; M26-L73 HydrophobicContact CB-CD2 3.88Å; M26-L73 HydrophobicContact CB-CG 4.32Å; M26-L73 HydrophobicContact CE-CD2 4.46Å; M26-L73 HydrophobicContact CG-CD1 4.44Å; M26-R92 HydrophobicContact CE-CB 4.39Å; M26-R92 HydrophobicContact SD-CB 4.2Å; M26-R92 HydrophobicContact SD-CG 3.99Å
27	S	96.9	Very high	95.1	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.8	-176.7	-62.6	0	0	0	0	112.4	A41 L42 C90 A91	S27-A41 CarbonylContact C-O 3.47Å; S27-A41 WeakPolarHBondContact CA-O 3.47Å; S27-A41 WeakPolarHBondContact CB-O 3.34Å; S27-L42 WeakPolarHBondContact OG-CD1 3.41Å; S27-C90 CarbonylContact O-C 3.58Å; S27-C90 VanDerWaalsContact O-CA 3.29Å; S27-C90 WeakPolarHBondContact O-CA 3.25Å; S27-A91 PolarHBondContact N-O 3.08Å; S27-A91 PolarHBondContact O-N 2.98Å
28	W	97.4	Very high	95.3	Very high	4 Å²	4	56 Å²	56	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.9	162.3	-77.5	99	0	0	0	110	L12 C14 L40 A41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.8Å; L12-W28 HydrophobicContact CB-CZ2 4.11Å; L12-W28 HydrophobicContact CB-CZ3 4.34Å; L12-W28 HydrophobicContact CD1-CZ3 4.27Å; C14-W28 HydrophobicContact CB-CH2 3.91Å; C14-W28 HydrophobicContact CB-CZ2 3.94Å; W28-L40 HydrophobicContact CB-CB 4.4Å; W28-L40 WeakPolarHBondContact O-CB 2.79Å; W28-L40 PolarHBondContact O-N 2.87Å; W28-A41 PolarHBondContact N-O 3.19Å; W28-A41 PolarHBondContact O-N 3.48Å; W28-L73 HydrophobicContact CD2-CD2 4.5Å; W28-L73 HydrophobicContact CG-CD2 4.39Å; W28-L73 VanDerWaalsContact NE1-CD2 3.32Å; W28-Y74 PolarHBondContact NE1-O 2.96Å; W28-L75 HydrophobicContact CB-CD1 4.48Å; W28-L75 HydrophobicContact CB-CD2 4.04Å; W28-L75 HydrophobicContact CD2-CB 4Å; W28-L75 HydrophobicContact CD2-CD2 4.12Å; W28-L75 HydrophobicContact CG-CB 4.03Å; W28-L75 HydrophobicContact CG-CD1 4.25Å; W28-L75 HydrophobicContact CG-CD2 3.89Å; W28-L75 HydrophobicContact CG-CG 4.29Å; W28-L75 HydrophobicContact CZ2-CB 4.24Å; W28-Y89 WeakPolarHBondContact CA-O 3.47Å; W28-C90 HydrophobicContact CE3-CB 4.45Å; W28-C90 HydrophobicContact CH2-CB 4.38Å; W28-C90 HydrophobicContact CZ2-CB 4.47Å; W28-C90 HydrophobicContact CZ3-CB 4.35Å
29	V	97	Very high	95.6	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.4	176.5	-176.5	0	0	0	0	107	L37 E38 Y88 Y89 F96 W99	V29-L37 HydrophobicContact CG1-CB 3.96Å; V29-L37 HydrophobicContact CG1-CD2 3.81Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y88 CarbonylContact O-C 3.6Å; V29-Y88 WeakPolarHBondContact O-CA 3.45Å; V29-Y89 PolarHBondContact N-O 2.91Å; V29-Y89 PolarHBondContact O-N 3.07Å; V29-F96 HydrophobicContact CG2-CE1 4.28Å; V29-W99 HydrophobicContact CB-CH2 4Å; V29-W99 HydrophobicContact CB-CZ3 3.67Å; V29-W99 HydrophobicContact CG1-CH2 3.84Å; V29-W99 HydrophobicContact CG1-CZ3 3.77Å; V29-W99 HydrophobicContact CG2-CH2 3.81Å; V29-W99 HydrophobicContact CG2-CZ3 3.87Å
30	R	97	Very high	95.9	Very high	16 Å²	16	53.2 Å²	53.2	6%	0.06	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157	171.3	70.1	175.2	177.4	-163.9	-0.5	112.1	L37 E38 L40 D84 A86 T87 Y88	R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; R30-E38 HydrophobicContact CG-CB 4.15Å; R30-E38 IonicContact CZ-OE2 3.4Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 2.7Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 2.8Å; R30-E38 PolarHBondContact NH2-OE1 3.42Å; R30-E38 IonicContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact NH2-OE2 3.45Å; R30-E38 PolarHBondContact O-N 2.94Å; R30-L40 HydrophobicContact CB-CD1 3.91Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 3.9Å; R30-L40 HydrophobicContact CG-CD2 3.83Å; R30-L40 HydrophobicContact CG-CG 4.01Å; R30-D84 IonicContact CZ-OD1 3.22Å; R30-D84 IonicContact NH1-OD1 3.75Å; R30-D84 PolarHBondContact NH1-OD1 3.02Å; R30-A86 HydrophobicContact CB-CB 3.85Å; R30-A86 HydrophobicContact CG-CB 4.24Å; R30-T87 CarbonylContact C-O 3.59Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.36Å; R30-Y88 HydrophobicContact CB-CD1 3.95Å; R30-Y88 HydrophobicContact CB-CE1 3.92Å; R30-Y88 HydrophobicContact CB-CE2 4.47Å; R30-Y88 HydrophobicContact CB-CG 4.25Å
31	Q	97.2	Very high	96	Very high	76 Å²	76	49.3 Å²	49.3	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	103.3	170.5	-169.3	178.5	29	0	0	109.2	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.23Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; Q31-A86 WeakPolarHBondContact O-CA 3.23Å; Q31-A86 WeakPolarHBondContact O-CB 3.28Å; Q31-T87 PolarHBondContact N-O 3.22Å; Q31-T87 PolarHBondContact O-N 3.32Å; Q31-Y89 HydrophobicContact CB-CE2 3.84Å; Q31-Y89 PolarHBondContact OE1-OH 2.85Å
32	P	96.1	Very high	96.1	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.104	28%	0.281	C	S	.	.			trans	-65.8	153	170.4	-16.8	30.3	0	0	0	110.9	G34 K35 A86	P32-G34 PolarHBondContact O-N 2.76Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.24Å; P32-K35 HydrophobicContact CG-CD 4.31Å; P32-K35 PolarHBondContact O-N 2.6Å; P32-A86 HydrophobicContact CG-CB 4.43Å
33	P	94.1	Very high	96.2	Very high	111 Å²	111	48.6 Å²	48.6	72%	0.721	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	125.6	178.2	-25.3	34.2	0	0	0	112.1	K35	P33-K35 PolarHBondContact O-N 3.23Å
34	G	95.3	Very high	96.3	Very high	95 Å²	95	46.9 Å²	46.9	98%	0.979	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	11.5	179.6	0	0	0	0	0	115.5	P32	P32-G34 PolarHBondContact O-N 2.76Å
35	K	95.5	Very high	96.4	Very high	145 Å²	145	44 Å²	44	63%	0.63	25%	0.25	S	S	*	.	S	Bend	trans	-118.5	163.8	180	-60	-169.6	-175.7	176.8	0	112.3	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.23Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.99Å; P32-K35 HydrophobicContact CB-CG 4.21Å; P32-K35 HydrophobicContact CG-CB 4.24Å; P32-K35 HydrophobicContact CG-CD 4.31Å; P32-K35 PolarHBondContact O-N 2.6Å; P33-K35 PolarHBondContact O-N 3.23Å
36	A	95.5	Very high	96.4	Very high	82 Å²	82	48.8 Å²	48.8	68%	0.678	27%	0.272	S	S	*	.			trans	-66.6	164.3	173	0	0	0	0	0	111.9
37	L	95.4	Very high	96.4	Very high	90 Å²	90	52.8 Å²	52.8	47%	0.471	31%	0.306	S	S	.	.			trans	-64.4	139.5	172.6	-72.2	163.7	0	0	0	110.9	V29 R30 Q31 Y89 W99	V29-L37 HydrophobicContact CG1-CB 3.96Å; V29-L37 HydrophobicContact CG1-CD2 3.81Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.34Å; Q31-L37 HydrophobicContact CB-CD2 3.77Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; L37-Y89 HydrophobicContact CD2-CD2 4.15Å; L37-Y89 HydrophobicContact CD2-CE2 4.08Å; L37-W99 HydrophobicContact CD1-CH2 4.01Å; L37-W99 HydrophobicContact CD1-CZ3 4.33Å; L37-W99 HydrophobicContact CD2-CZ3 4.22Å
38	E	96.1	Very high	96.4	Very high	59 Å²	59	56 Å²	56	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.2	177.6	-175.9	-171	174.6	0	0	109.4	V29 R30 L40 S57	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 VanDerWaalsContact CG1-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; R30-E38 HydrophobicContact CG-CB 4.15Å; R30-E38 IonicContact CZ-OE2 3.4Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 2.7Å; R30-E38 PolarHBondContact NE-OE2 3.08Å; R30-E38 IonicContact NH2-OE1 2.8Å; R30-E38 PolarHBondContact NH2-OE1 3.42Å; R30-E38 IonicContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact NH2-OE2 3.45Å; R30-E38 PolarHBondContact O-N 2.94Å; E38-L40 HydrophobicContact CG-CD2 4.27Å; E38-S57 VanDerWaalsContact OE1-CB 3.22Å; E38-S57 WeakPolarHBondContact OE1-CB 3.01Å; E38-S57 PolarHBondContact OE1-OG 3.46Å
39	W	96.3	Very high	96.3	Very high	80 Å²	80	58.5 Å²	58.5	30%	0.303	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.4	172	173.7	86	0	0	0	110.6	A41 L42 E53 S55 F96	W39-A41 PolarHBondContact NE1-O 2.98Å; W39-L42 HydrophobicContact CZ2-CB 3.58Å; W39-E53 HydrophobicContact CH2-CB 3.97Å; W39-E53 HydrophobicContact CZ2-CB 4.29Å; W39-S55 VanDerWaalsContact O-CB 3.23Å; W39-S55 WeakPolarHBondContact O-CB 3.44Å; W39-S55 PolarHBondContact O-OG 2.88Å; W39-F96 AromaticContact CD1-CZ 3.72Å
40	L	96.9	Very high	96.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-50.2	-173.8	-62.7	-174	0	0	0	113.6	W28 R30 E38 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.4Å; W28-L40 WeakPolarHBondContact O-CB 2.79Å; W28-L40 PolarHBondContact O-N 2.87Å; R30-L40 HydrophobicContact CB-CD1 3.91Å; R30-L40 HydrophobicContact CB-CG 4.37Å; R30-L40 HydrophobicContact CG-CD1 3.9Å; R30-L40 HydrophobicContact CG-CD2 3.83Å; R30-L40 HydrophobicContact CG-CG 4.01Å; E38-L40 HydrophobicContact CG-CD2 4.27Å; L40-Y54 CarbonylContact O-C 3.53Å; L40-Y54 WeakPolarHBondContact O-CA 3.15Å; L40-S55 PolarHBondContact O-N 2.89Å; L40-S55 PolarHBondContact O-OG 2.77Å; L40-V58 HydrophobicContact CB-CG2 4.35Å; L40-V58 HydrophobicContact CD2-CG1 3.82Å; L40-V58 WeakPolarHBondContact O-CG2 3.24Å; L40-F62 HydrophobicContact CD1-CE2 4.42Å; L40-L75 HydrophobicContact CD1-CD2 4.36Å; L40-Y88 HydrophobicContact CD1-CD1 3.8Å; L40-Y88 HydrophobicContact CD1-CE1 3.44Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.44Å
41	A	97.4	Very high	96.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.6	-174.2	0	0	0	0	0	111.3	S27 W28 W39 E53 Y54 I64 L75	S27-A41 CarbonylContact C-O 3.47Å; S27-A41 WeakPolarHBondContact CA-O 3.47Å; S27-A41 WeakPolarHBondContact CB-O 3.34Å; W28-A41 PolarHBondContact N-O 3.19Å; W28-A41 PolarHBondContact O-N 3.48Å; W39-A41 PolarHBondContact NE1-O 2.98Å; A41-E53 CarbonylContact C-O 3.52Å; A41-E53 WeakPolarHBondContact CA-O 3.35Å; A41-Y54 HydrophobicContact CB-CD1 3.73Å; A41-Y54 HydrophobicContact CB-CE1 3.99Å; A41-I64 HydrophobicContact CB-CB 3.96Å; A41-I64 HydrophobicContact CB-CD1 4.07Å; A41-I64 HydrophobicContact CB-CG2 4.05Å; A41-L75 HydrophobicContact CB-CD1 4.44Å
42	L	96.8	Very high	96.4	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.079	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.4	176.1	168.1	67.5	0	0	0	109	Y25 M26 S27 W39 R44 T52 E53	Y25-L42 HydrophobicContact CD2-CD1 3.88Å; Y25-L42 HydrophobicContact CD2-CD2 4.02Å; Y25-L42 HydrophobicContact CD2-CG 4.48Å; Y25-L42 HydrophobicContact CG-CD1 4.15Å; M26-L42 WeakPolarHBondContact O-CA 3.2Å; S27-L42 WeakPolarHBondContact OG-CD1 3.41Å; W39-L42 HydrophobicContact CZ2-CB 3.58Å; L42-R44 HydrophobicContact CD2-CG 4.23Å; L42-R44 HydrophobicContact CG-CG 4.43Å; L42-T52 CarbonylContact O-C 3.56Å; L42-T52 VanDerWaalsContact O-CA 3.23Å; L42-T52 WeakPolarHBondContact O-CA 3.48Å; L42-E53 PolarHBondContact N-O 2.89Å; L42-E53 PolarHBondContact O-N 2.86Å
43	I	97.7	Very high	96.5	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.046	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.3	161.9	-171.2	160.3	0	0	0	108.4	M26 T52 I64 R66 L73	M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.4Å; M26-I43 PolarHBondContact O-N 3.42Å; I43-T52 HydrophobicContact CB-CG2 4.12Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.86Å; I43-I64 HydrophobicContact CB-CD1 4.09Å; I43-I64 HydrophobicContact CB-CG1 4.27Å; I43-I64 HydrophobicContact CB-CG2 4.16Å; I43-I64 HydrophobicContact CG2-CD1 3.85Å; I43-I64 HydrophobicContact CG2-CG1 4.11Å; I43-R66 HydrophobicContact CD1-CB 4.35Å; I43-R66 HydrophobicContact CD1-CG 3.74Å; I43-L73 HydrophobicContact CG2-CD1 3.53Å
44	R	96.6	Very high	96.7	Very high	49 Å²	49	64.2 Å²	64.2	19%	0.185	37%	0.37	C	S	.	.			trans	-72.3	170	-177.9	-62.5	-165.5	170.9	78	4.7	111.7	Y25 L42 N48 Y50 T51 E53 R66	Y25-R44 HydrophobicContact CD1-CB 4.19Å; Y25-R44 HydrophobicContact CD2-CG 4.06Å; Y25-R44 HydrophobicContact CE1-CB 3.98Å; Y25-R44 HydrophobicContact CE1-CG 4.29Å; Y25-R44 HydrophobicContact CE2-CB 4.37Å; Y25-R44 HydrophobicContact CE2-CG 3.8Å; Y25-R44 HydrophobicContact CG-CB 4.47Å; Y25-R44 HydrophobicContact CG-CG 4.48Å; L42-R44 HydrophobicContact CD2-CG 4.23Å; L42-R44 HydrophobicContact CG-CG 4.43Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.42Å; R44-Y50 WeakPolarHBondContact O-CD1 2.89Å; R44-T51 WeakPolarHBondContact CD-OG1 3.42Å; R44-T51 PolarHBondContact N-O 2.83Å; R44-T51 PolarHBondContact NH1-OG1 2.86Å; R44-E53 IonicContact CZ-OE1 3.15Å; R44-E53 IonicContact NH1-OE1 2.82Å; R44-E53 PolarHBondContact NH1-OE1 2.87Å; R44-E53 IonicContact NH2-OE1 3.97Å; R44-E53 PolarHBondContact NH2-OE1 2.7Å; R44-E53 IonicContact NH2-OE2 2.77Å; R44-E53 PolarHBondContact NH2-OE2 3.39Å; R44-R66 PolarHBondContact O-NH1 3.02Å; R44-R66 VanDerWaalsContact O-NH1 3.12Å
45	N	95.9	Very high	96.7	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.134	33%	0.329	C	S	.	.			trans	-73.5	-179.1	176.8	70.5	7.3	0	0	0	112.3	T22 D23 Y25 A47 N48 G49 Y50	T22-N45 VanDerWaalsContact O-CB 3.32Å; T22-N45 WeakPolarHBondContact O-CB 3.29Å; D23-N45 VanDerWaalsContact C-CB 3.42Å; D23-N45 VanDerWaalsContact O-CB 3.25Å; D23-N45 WeakPolarHBondContact O-CB 3.42Å; D23-N45 PolarHBondContact O-ND2 2.87Å; Y25-N45 HydrophobicContact CD1-CB 3.84Å; Y25-N45 HydrophobicContact CE1-CB 4.1Å; N45-A47 PolarHBondContact O-N 2.97Å; N45-A47 PolarHBondContact OD1-N 2.93Å; N45-N48 PolarHBondContact O-N 3.48Å; N45-N48 PolarHBondContact OD1-N 2.9Å; N45-N48 VanDerWaalsContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 3.04Å; N45-G49 PolarHBondContact O-N 2.95Å; N45-Y50 PolarHBondContact O-N 2.83Å; N45-Y50 VanDerWaalsContact O-N 3.11Å
46	K	96.8	Very high	96.8	Very high	140 Å²	140	58.2 Å²	58.2	61%	0.609	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-58.9	-42.3	178.1	-172.9	176.8	178.3	-177.4	0	113.2	T22 N48 G49 Y50	T22-K46 PolarHBondContact O-N 2.83Å; K46-N48 PolarHBondContact O-N 3.28Å; K46-G49 PolarHBondContact O-N 3.13Å; K46-G49 VanDerWaalsContact O-N 3.08Å; K46-Y50 HydrophobicContact CB-CE1 3.93Å; K46-Y50 HydrophobicContact CB-CE2 4.36Å; K46-Y50 WeakPolarHBondContact CB-OH 3.21Å; K46-Y50 HydrophobicContact CG-CE2 4.23Å; K46-Y50 WeakPolarHBondContact CG-OH 3.38Å
47	A	96.4	Very high	96.7	Very high	89 Å²	89	56.4 Å²	56.4	74%	0.736	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.1	-177.6	0	0	0	0	0	112.5	N45	N45-A47 PolarHBondContact O-N 2.97Å; N45-A47 PolarHBondContact OD1-N 2.93Å
48	N	96.4	Very high	96.8	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-102.8	23.6	177.8	-61.1	102.2	0	0	0	113.1	Y25 R44 N45 K46 Y50 T51	Y25-N48 WeakPolarHBondContact CE1-OD1 3.44Å; Y25-N48 PolarHBondContact OH-OD1 3.06Å; R44-N48 HydrophobicContact CB-CB 3.79Å; R44-N48 HydrophobicContact CG-CB 4.42Å; N45-N48 PolarHBondContact O-N 3.48Å; N45-N48 PolarHBondContact OD1-N 2.9Å; N45-N48 VanDerWaalsContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 3.04Å; K46-N48 PolarHBondContact O-N 3.28Å; N48-Y50 VanDerWaalsContact C-N 3.26Å; N48-Y50 PolarHBondContact O-N 3.08Å; N48-T51 PolarHBondContact O-N 3.44Å; N48-T51 PolarHBondContact O-OG1 3.18Å
49	G	96.6	Very high	96.8	Very high	55 Å²	55	56.8 Å²	56.8	57%	0.567	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	21.2	170.5	0	0	0	0	0	115	N45 K46 T51	N45-G49 PolarHBondContact O-N 2.95Å; K46-G49 PolarHBondContact O-N 3.13Å; K46-G49 VanDerWaalsContact O-N 3.08Å; G49-T51 PolarHBondContact O-N 3.14Å; G49-T51 VanDerWaalsContact O-N 3.13Å
50	Y	97.2	Very high	96.8	Very high	71 Å²	71	56.9 Å²	56.9	28%	0.278	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	29.5	-177.6	-51	-67.2	0	0	0	114.5	R44 N45 K46 N48 N68	R44-Y50 WeakPolarHBondContact O-CD1 2.89Å; N45-Y50 PolarHBondContact O-N 2.83Å; N45-Y50 VanDerWaalsContact O-N 3.11Å; K46-Y50 HydrophobicContact CB-CE1 3.93Å; K46-Y50 HydrophobicContact CB-CE2 4.36Å; K46-Y50 WeakPolarHBondContact CB-OH 3.21Å; K46-Y50 HydrophobicContact CG-CE2 4.23Å; K46-Y50 WeakPolarHBondContact CG-OH 3.38Å; N48-Y50 VanDerWaalsContact C-N 3.26Å; N48-Y50 PolarHBondContact O-N 3.08Å; Y50-N68 PolarHBondContact OH-ND2 2.83Å
51	T	97.6	Very high	96.8	Very high	69 Å²	69	58 Å²	58	42%	0.423	35%	0.347	S	S	.	.			trans	-60.1	147.2	176.2	52.1	0	0	0	0	111.1	R44 N48 G49	R44-T51 WeakPolarHBondContact CD-OG1 3.42Å; R44-T51 PolarHBondContact N-O 2.83Å; R44-T51 PolarHBondContact NH1-OG1 2.86Å; N48-T51 PolarHBondContact O-N 3.44Å; N48-T51 PolarHBondContact O-OG1 3.18Å; G49-T51 PolarHBondContact O-N 3.14Å; G49-T51 VanDerWaalsContact O-N 3.13Å
52	T	98.1	Very high	96.8	Very high	60 Å²	60	58.2 Å²	58.2	37%	0.368	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.9	-175.3	58.7	0	0	0	0	111.9	L42 I43 Y54 I64	L42-T52 CarbonylContact O-C 3.56Å; L42-T52 VanDerWaalsContact O-CA 3.23Å; L42-T52 WeakPolarHBondContact O-CA 3.48Å; I43-T52 HydrophobicContact CB-CG2 4.12Å; I43-T52 HydrophobicContact CD1-CG2 3.91Å; I43-T52 HydrophobicContact CG1-CG2 3.86Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å; T52-I64 HydrophobicContact CG2-CG2 3.67Å
53	E	97.3	Very high	96.9	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.5	174.1	-69.1	-178.5	-177.8	0	0	110.1	W39 A41 L42 R44	W39-E53 HydrophobicContact CH2-CB 3.97Å; W39-E53 HydrophobicContact CZ2-CB 4.29Å; A41-E53 CarbonylContact C-O 3.52Å; A41-E53 WeakPolarHBondContact CA-O 3.35Å; L42-E53 PolarHBondContact N-O 2.89Å; L42-E53 PolarHBondContact O-N 2.86Å; R44-E53 IonicContact CZ-OE1 3.15Å; R44-E53 IonicContact NH1-OE1 2.82Å; R44-E53 PolarHBondContact NH1-OE1 2.87Å; R44-E53 IonicContact NH2-OE1 3.97Å; R44-E53 PolarHBondContact NH2-OE1 2.7Å; R44-E53 IonicContact NH2-OE2 2.77Å; R44-E53 PolarHBondContact NH2-OE2 3.39Å
54	Y	98.1	Very high	96.9	Very high	60 Å²	60	60.6 Å²	60.6	24%	0.235	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.5	-174.6	-59.5	-88	0	0	0	110.1	L40 A41 T52 F62 I64	L40-Y54 CarbonylContact O-C 3.53Å; L40-Y54 WeakPolarHBondContact O-CA 3.15Å; A41-Y54 HydrophobicContact CB-CD1 3.73Å; A41-Y54 HydrophobicContact CB-CE1 3.99Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.43Å; Y54-F62 WeakPolarHBondContact CE1-O 3.41Å; Y54-I64 HydrophobicContact CE1-CB 4.31Å; Y54-I64 HydrophobicContact CE1-CG2 3.91Å; Y54-I64 PolarHBondContact OH-N 3.39Å; Y54-I64 VanDerWaalsContact OH-N 3.08Å
55	S	96.9	Very high	97	Very high	16 Å²	16	60.7 Å²	60.7	11%	0.112	37%	0.371	C	S	.	.			trans	-69	156.4	170.5	75.2	0	0	0	0	110.6	W39 L40 S57 V58 K59	W39-S55 VanDerWaalsContact O-CB 3.23Å; W39-S55 WeakPolarHBondContact O-CB 3.44Å; W39-S55 PolarHBondContact O-OG 2.88Å; L40-S55 PolarHBondContact O-N 2.89Å; L40-S55 PolarHBondContact O-OG 2.77Å; S55-S57 PolarHBondContact O-N 3.37Å; S55-S57 PolarHBondContact OG-OG 2.98Å; S55-V58 PolarHBondContact O-N 3.38Å; S55-K59 WeakPolarHBondContact O-CB 3.41Å; S55-K59 PolarHBondContact O-N 3.37Å
56	A	96.6	Very high	97.1	Very high	98 Å²	98	61 Å²	61	81%	0.81	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.8	179.9	0	0	0	0	0	112.9	V58	A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.02Å
57	S	94.3	Very high	97.1	Very high	44 Å²	44	56.4 Å²	56.4	31%	0.308	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24	-177	58.6	0	0	0	0	114.1	E38 S55 R61	E38-S57 VanDerWaalsContact OE1-CB 3.22Å; E38-S57 WeakPolarHBondContact OE1-CB 3.01Å; E38-S57 PolarHBondContact OE1-OG 3.46Å; S55-S57 PolarHBondContact O-N 3.37Å; S55-S57 PolarHBondContact OG-OG 2.98Å; S57-R61 PolarHBondContact O-NH2 2.97Å
58	V	96.4	Very high	97.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-6.7	-175.9	-56.8	0	0	0	0	113.9	L40 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.35Å; L40-V58 HydrophobicContact CD2-CG1 3.82Å; L40-V58 WeakPolarHBondContact O-CG2 3.24Å; S55-V58 PolarHBondContact O-N 3.38Å; A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.02Å; V58-G60 PolarHBondContact O-N 3.49Å; V58-R61 PolarHBondContact O-N 2.9Å; V58-F62 HydrophobicContact CB-CB 3.99Å; V58-F62 HydrophobicContact CB-CD1 4.34Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.71Å; V58-F62 HydrophobicContact CG1-CD2 3.48Å; V58-F62 VanDerWaalsContact CG1-CD2 3.48Å; V58-F62 HydrophobicContact CG1-CE2 3.45Å; V58-F62 VanDerWaalsContact CG1-CE2 3.45Å; V58-F62 HydrophobicContact CG1-CG 4.11Å; V58-F62 HydrophobicContact CG1-CZ 4.03Å; V58-F62 HydrophobicContact CG2-CB 4.26Å; V58-F62 HydrophobicContact CG2-CD2 4.15Å; V58-F62 HydrophobicContact CG2-CG 4.41Å; V58-F62 PolarHBondContact O-N 2.82Å
59	K	96	Very high	97	Very high	156 Å²	156	56.4 Å²	56.4	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129.8	179	-168.5	171.2	-175.2	176.5	0	111.1	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.41Å; S55-K59 PolarHBondContact O-N 3.37Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 3.32Å
60	G	96.3	Very high	97	Very high	82 Å²	82	59 Å²	59	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-4.8	-178.5	0	0	0	0	0	115.1	V58	V58-G60 PolarHBondContact O-N 3.49Å
61	R	97.3	Very high	97	Very high	25 Å²	25	57.3 Å²	57.3	9%	0.094	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-40.4	177	-62.1	-168.1	-57.5	118.8	0	112.4	S57 V58 K59 N78 A79 D84	S57-R61 PolarHBondContact O-NH2 2.97Å; V58-R61 PolarHBondContact O-N 2.9Å; K59-R61 VanDerWaalsContact C-N 3.26Å; K59-R61 PolarHBondContact O-N 3.32Å; R61-N78 WeakPolarHBondContact CB-O 3.18Å; R61-N78 WeakPolarHBondContact O-CB 3.37Å; R61-N78 PolarHBondContact O-N 3.01Å; R61-N78 PolarHBondContact O-ND2 2.81Å; R61-A79 PolarHBondContact NH1-O 3.03Å; R61-D84 IonicContact CZ-OD1 2.97Å; R61-D84 IonicContact CZ-OD2 3.39Å; R61-D84 IonicContact NH1-OD1 3.29Å; R61-D84 IonicContact NH1-OD2 2.83Å; R61-D84 PolarHBondContact NH1-OD2 2.96Å; R61-D84 IonicContact NH2-OD1 2.62Å; R61-D84 PolarHBondContact NH2-OD1 3.43Å; R61-D84 IonicContact NH2-OD2 3.84Å; R61-D84 PolarHBondContact NH2-OD2 2.84Å
62	F	97.7	Very high	97	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148.3	-177	-63.3	7.5	0	0	0	110.8	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.42Å; Y54-F62 WeakPolarHBondContact CE1-O 3.41Å; V58-F62 HydrophobicContact CB-CB 3.99Å; V58-F62 HydrophobicContact CB-CD1 4.34Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 4.02Å; V58-F62 HydrophobicContact CB-CG 3.71Å; V58-F62 HydrophobicContact CG1-CD2 3.48Å; V58-F62 VanDerWaalsContact CG1-CD2 3.48Å; V58-F62 HydrophobicContact CG1-CE2 3.45Å; V58-F62 VanDerWaalsContact CG1-CE2 3.45Å; V58-F62 HydrophobicContact CG1-CG 4.11Å; V58-F62 HydrophobicContact CG1-CZ 4.03Å; V58-F62 HydrophobicContact CG2-CB 4.26Å; V58-F62 HydrophobicContact CG2-CD2 4.15Å; V58-F62 HydrophobicContact CG2-CG 4.41Å; V58-F62 PolarHBondContact O-N 2.82Å; F62-L75 HydrophobicContact CB-CD1 4.16Å; F62-L75 HydrophobicContact CD2-CD1 4.44Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; F62-M77 HydrophobicContact CD1-CB 3.86Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.89Å; F62-M77 HydrophobicContact CE1-CB 3.79Å; F62-M77 HydrophobicContact CE1-CE 4.37Å; F62-M77 HydrophobicContact CE1-CG 4.11Å; F62-M77 HydrophobicContact CE2-CB 4.48Å; F62-M77 HydrophobicContact CE2-CE 3.83Å; F62-M77 HydrophobicContact CE2-CG 3.92Å; F62-M77 HydrophobicContact CE2-SD 4.34Å; F62-M77 HydrophobicContact CG-CB 4.3Å; F62-M77 HydrophobicContact CG-CG 3.99Å; F62-M77 HydrophobicContact CZ-CB 4.14Å; F62-M77 HydrophobicContact CZ-CE 3.66Å; F62-M77 HydrophobicContact CZ-CG 4.06Å; F62-L80 HydrophobicContact CE1-CD2 4.15Å; F62-L80 HydrophobicContact CZ-CD2 4.06Å; F62-D84 HydrophobicContact CZ-CB 4.32Å; F62-Y88 HydrophobicContact CE2-CE1 4.36Å
63	T	98.3	Very high	97	Very high	68 Å²	68	52.5 Å²	52.5	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.7	178.3	-54.5	0	0	0	0	109.1	Q76	T63-Q76 PolarHBondContact N-O 2.98Å; T63-Q76 PolarHBondContact O-N 3.02Å
64	I	98.4	Very high	97.1	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.5	173.6	-169	172	0	0	0	109.2	A41 I43 T52 Y54 L73 Y74 L75	A41-I64 HydrophobicContact CB-CB 3.96Å; A41-I64 HydrophobicContact CB-CD1 4.07Å; A41-I64 HydrophobicContact CB-CG2 4.05Å; I43-I64 HydrophobicContact CB-CD1 4.09Å; I43-I64 HydrophobicContact CB-CG1 4.27Å; I43-I64 HydrophobicContact CB-CG2 4.16Å; I43-I64 HydrophobicContact CG2-CD1 3.85Å; I43-I64 HydrophobicContact CG2-CG1 4.11Å; T52-I64 HydrophobicContact CG2-CG2 3.67Å; Y54-I64 HydrophobicContact CE1-CB 4.31Å; Y54-I64 HydrophobicContact CE1-CG2 3.91Å; Y54-I64 PolarHBondContact OH-N 3.39Å; Y54-I64 VanDerWaalsContact OH-N 3.08Å; I64-L73 HydrophobicContact CD1-CD1 4.03Å; I64-L73 HydrophobicContact CD1-CD2 4.45Å; I64-L73 HydrophobicContact CG1-CD1 4Å; I64-Y74 WeakPolarHBondContact CA-O 3.49Å; I64-L75 HydrophobicContact CB-CD1 4.34Å
65	S	98.3	Very high	97.1	Very high	52 Å²	52	48.7 Å²	48.7	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	168.8	175.3	65	0	0	0	0	110.5	L73 Y74	S65-L73 WeakPolarHBondContact O-CD1 3.23Å; S65-Y74 PolarHBondContact N-O 2.95Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 3.15Å
66	R	97.6	Very high	97.1	Very high	32 Å²	32	51 Å²	51	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.4	-176.3	65.4	-171.1	-66.8	164.3	12.3	111.2	F21 Y24 I43 R44 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 3.95Å; F21-R66 VanDerWaalsContact CE1-NH2 3.3Å; F21-R66 HydrophobicContact CZ-CB 4.13Å; F21-R66 PolarHBondContact O-NH2 3.41Å; Y24-R66 PolarHBondContact O-NH1 3.15Å; Y24-R66 VanDerWaalsContact O-NH1 3.15Å; I43-R66 HydrophobicContact CD1-CB 4.35Å; I43-R66 HydrophobicContact CD1-CG 3.74Å; R44-R66 PolarHBondContact O-NH1 3.02Å; R44-R66 VanDerWaalsContact O-NH1 3.12Å; R66-N68 PolarHBondContact NE-OD1 2.82Å; R66-N68 PolarHBondContact NH2-OD1 3.29Å; R66-I72 CarbonylContact C-O 3.45Å; R66-I72 WeakPolarHBondContact CA-O 3.49Å; R66-L73 HydrophobicContact CB-CD1 4.27Å
67	D	97.3	Very high	97.1	Very high	43 Å²	43	46.3 Å²	46.3	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.5	166.5	-177.1	-17.8	0	0	0	108.6	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CA 3.49Å; D67-S69 WeakPolarHBondContact OD1-CB 3.28Å; D67-S69 PolarHBondContact OD1-N 2.02Å; D67-S69 PolarHBondContact OD1-OG 2.62Å; D67-Q70 HydrophobicContact CB-CB 4.38Å; D67-Q70 PolarHBondContact OD1-N 2.8Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.02Å; D67-Q70 PolarHBondContact OD2-OE1 3.4Å; D67-S71 WeakPolarHBondContact O-CA 3.01Å; D67-S71 PolarHBondContact O-N 2.95Å; D67-I72 PolarHBondContact N-O 2.95Å; D67-I72 PolarHBondContact O-N 2.88Å; D67-Y74 HydrophobicContact CB-CE2 3.9Å
68	N	96.3	Very high	97.2	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.283	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.1	-178.2	-65.4	-36	0	0	0	113.1	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.34Å; T22-N68 HydrophobicContact CG2-CB 3.83Å; Y50-N68 PolarHBondContact OH-ND2 2.83Å; R66-N68 PolarHBondContact NE-OD1 2.82Å; R66-N68 PolarHBondContact NH2-OD1 3.29Å; N68-Q70 VanDerWaalsContact C-N 3.31Å
69	S	95.4	Very high	97.1	Very high	107 Å²	107	49.2 Å²	49.2	75%	0.748	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.7	177.8	72.4	0	0	0	0	111.4	D67	D67-S69 WeakPolarHBondContact OD1-CA 3.49Å; D67-S69 WeakPolarHBondContact OD1-CB 3.28Å; D67-S69 PolarHBondContact OD1-N 2.02Å; D67-S69 PolarHBondContact OD1-OG 2.62Å
70	Q	96.7	Very high	97.1	Very high	111 Å²	111	41.9 Å²	41.9	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-6.9	179.6	-59.8	-176.7	-4.9	0	0	113.1	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.38Å; D67-Q70 PolarHBondContact OD1-N 2.8Å; D67-Q70 VanDerWaalsContact OD2-CD 3.25Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.02Å; D67-Q70 PolarHBondContact OD2-OE1 3.4Å; N68-Q70 VanDerWaalsContact C-N 3.31Å; Q70-I72 VanDerWaalsContact C-N 3.29Å; Q70-I72 HydrophobicContact CB-CB 4.48Å; Q70-I72 HydrophobicContact CB-CD1 3.82Å; Q70-I72 HydrophobicContact CB-CG1 3.79Å; Q70-I72 WeakPolarHBondContact O-CG1 3.43Å; Q70-I72 PolarHBondContact O-N 2.78Å
71	S	96.7	Very high	97	Very high	34 Å²	34	44.3 Å²	44.3	24%	0.238	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	44.1	-171.1	-59.1	0	0	0	0	112.8	A16 D67	A16-S71 PolarHBondContact N-O 3.5Å; A16-S71 WeakPolarHBondContact O-CB 3.32Å; D67-S71 WeakPolarHBondContact O-CA 3.01Å; D67-S71 PolarHBondContact O-N 2.95Å
72	I	97.8	Very high	96.8	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	-179	-57.4	-179.7	0	0	0	110.4	C14 A15 R66 D67 Q70 Y74	C14-I72 WeakPolarHBondContact O-CA 3.4Å; A15-I72 HydrophobicContact CB-CG1 4.41Å; R66-I72 CarbonylContact C-O 3.45Å; R66-I72 WeakPolarHBondContact CA-O 3.49Å; D67-I72 PolarHBondContact N-O 2.95Å; D67-I72 PolarHBondContact O-N 2.88Å; Q70-I72 VanDerWaalsContact C-N 3.29Å; Q70-I72 HydrophobicContact CB-CB 4.48Å; Q70-I72 HydrophobicContact CB-CD1 3.82Å; Q70-I72 HydrophobicContact CB-CG1 3.79Å; Q70-I72 WeakPolarHBondContact O-CG1 3.43Å; Q70-I72 PolarHBondContact O-N 2.78Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD1 4.12Å; I72-Y74 HydrophobicContact CG2-CD2 4.11Å; I72-Y74 HydrophobicContact CG2-CE1 3.62Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; I72-Y74 HydrophobicContact CG2-CG 4.35Å
73	L	97.9	Very high	96.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.9	168.2	-172.5	72.5	0	0	0	109.6	S13 C14 F21 M26 W28 I43 I64 S65 R66 C90	S13-L73 CarbonylContact C-O 3.49Å; S13-L73 VanDerWaalsContact CA-O 3.32Å; S13-L73 WeakPolarHBondContact CA-O 3.4Å; C14-L73 HydrophobicContact CB-CB 4.38Å; C14-L73 PolarHBondContact N-O 2.8Å; C14-L73 PolarHBondContact O-N 2.77Å; F21-L73 HydrophobicContact CZ-CB 4.23Å; M26-L73 HydrophobicContact CB-CD1 3.64Å; M26-L73 HydrophobicContact CB-CD2 3.88Å; M26-L73 HydrophobicContact CB-CG 4.32Å; M26-L73 HydrophobicContact CE-CD2 4.46Å; M26-L73 HydrophobicContact CG-CD1 4.44Å; W28-L73 HydrophobicContact CD2-CD2 4.5Å; W28-L73 HydrophobicContact CG-CD2 4.39Å; W28-L73 VanDerWaalsContact NE1-CD2 3.32Å; I43-L73 HydrophobicContact CG2-CD1 3.53Å; I64-L73 HydrophobicContact CD1-CD1 4.03Å; I64-L73 HydrophobicContact CD1-CD2 4.45Å; I64-L73 HydrophobicContact CG1-CD1 4Å; S65-L73 WeakPolarHBondContact O-CD1 3.23Å; R66-L73 HydrophobicContact CB-CD1 4.27Å; L73-C90 HydrophobicContact CD2-CB 4.06Å
74	Y	98.1	Very high	96.5	Very high	62 Å²	62	48.4 Å²	48.4	24%	0.243	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.8	178.3	-62.5	-80.4	0	0	0	111.7	L12 W28 I64 S65 D67 I72	L12-Y74 CarbonylContact O-C 3.58Å; L12-Y74 VanDerWaalsContact O-CA 3.23Å; L12-Y74 WeakPolarHBondContact O-CA 3.37Å; W28-Y74 PolarHBondContact NE1-O 2.96Å; I64-Y74 WeakPolarHBondContact CA-O 3.49Å; S65-Y74 PolarHBondContact N-O 2.95Å; S65-Y74 VanDerWaalsContact N-O 3.09Å; S65-Y74 PolarHBondContact O-N 3.15Å; D67-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD1 4.12Å; I72-Y74 HydrophobicContact CG2-CD2 4.11Å; I72-Y74 HydrophobicContact CG2-CE1 3.62Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; I72-Y74 HydrophobicContact CG2-CG 4.35Å
75	L	98.1	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	101.4	166.4	-170.7	66.5	0	0	0	108.5	S11 L12 W28 L40 A41 F62 I64 M77 Y88	S11-L75 WeakPolarHBondContact CA-O 3.49Å; L12-L75 HydrophobicContact CB-CB 4.35Å; L12-L75 PolarHBondContact N-O 3.09Å; L12-L75 PolarHBondContact O-N 2.87Å; W28-L75 HydrophobicContact CB-CD1 4.48Å; W28-L75 HydrophobicContact CB-CD2 4.04Å; W28-L75 HydrophobicContact CD2-CB 4Å; W28-L75 HydrophobicContact CD2-CD2 4.12Å; W28-L75 HydrophobicContact CG-CB 4.03Å; W28-L75 HydrophobicContact CG-CD1 4.25Å; W28-L75 HydrophobicContact CG-CD2 3.89Å; W28-L75 HydrophobicContact CG-CG 4.29Å; W28-L75 HydrophobicContact CZ2-CB 4.24Å; L40-L75 HydrophobicContact CD1-CD2 4.36Å; A41-L75 HydrophobicContact CB-CD1 4.44Å; F62-L75 HydrophobicContact CB-CD1 4.16Å; F62-L75 HydrophobicContact CD2-CD1 4.44Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.39Å; I64-L75 HydrophobicContact CB-CD1 4.34Å; L75-M77 HydrophobicContact CD2-CG 3.92Å; L75-M77 HydrophobicContact CD2-SD 3.86Å; L75-M77 HydrophobicContact CG-CG 3.78Å; L75-M77 HydrophobicContact CG-SD 4.27Å; L75-M77 PolarHBondContact O-N 2.85Å; L75-Y88 HydrophobicContact CD2-CD1 4.19Å; L75-Y88 HydrophobicContact CD2-CE1 4.34Å
76	Q	97.9	Very high	96.3	Very high	65 Å²	65	47.1 Å²	47.1	30%	0.304	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.7	168.7	-178.6	63.1	30.4	0	0	108.2	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.58Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; T63-Q76 PolarHBondContact N-O 2.98Å; T63-Q76 PolarHBondContact O-N 3.02Å; Q76-N78 PolarHBondContact NE2-OD1 2.95Å
77	M	96.9	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.8	-176.3	-61.2	168.6	51.9	0	0	108.2	S9 L10 L12 F62 L75 L80 Y88 L105	S9-M77 CarbonylContact C-O 3.41Å; S9-M77 WeakPolarHBondContact CA-O 3.43Å; S9-M77 WeakPolarHBondContact CB-O 3.14Å; L10-M77 PolarHBondContact N-O 2.8Å; L10-M77 WeakPolarHBondContact O-CB 3.22Å; L10-M77 PolarHBondContact O-N 2.78Å; L12-M77 HydrophobicContact CD1-SD 3.61Å; L12-M77 HydrophobicContact CG-SD 3.8Å; F62-M77 HydrophobicContact CD1-CB 3.86Å; F62-M77 HydrophobicContact CD1-CG 4.06Å; F62-M77 HydrophobicContact CD2-CG 3.89Å; F62-M77 HydrophobicContact CE1-CB 3.79Å; F62-M77 HydrophobicContact CE1-CE 4.37Å; F62-M77 HydrophobicContact CE1-CG 4.11Å; F62-M77 HydrophobicContact CE2-CB 4.48Å; F62-M77 HydrophobicContact CE2-CE 3.83Å; F62-M77 HydrophobicContact CE2-CG 3.92Å; F62-M77 HydrophobicContact CE2-SD 4.34Å; F62-M77 HydrophobicContact CG-CB 4.3Å; F62-M77 HydrophobicContact CG-CG 3.99Å; F62-M77 HydrophobicContact CZ-CB 4.14Å; F62-M77 HydrophobicContact CZ-CE 3.66Å; F62-M77 HydrophobicContact CZ-CG 4.06Å; L75-M77 HydrophobicContact CD2-CG 3.92Å; L75-M77 HydrophobicContact CD2-SD 3.86Å; L75-M77 HydrophobicContact CG-CG 3.78Å; L75-M77 HydrophobicContact CG-SD 4.27Å; L75-M77 PolarHBondContact O-N 2.85Å; M77-L80 HydrophobicContact CB-CD1 4.46Å; M77-L80 HydrophobicContact CB-CD2 4.1Å; M77-L80 HydrophobicContact CB-CG 4.33Å; M77-L80 HydrophobicContact CE-CD2 3.34Å; M77-L80 HydrophobicContact CE-CG 4.45Å; M77-Y88 HydrophobicContact CE-CE1 3.83Å; M77-Y88 HydrophobicContact CE-CE2 4.28Å; M77-Y88 HydrophobicContact SD-CD1 4.5Å; M77-Y88 HydrophobicContact SD-CE1 4.11Å; M77-L105 HydrophobicContact CE-CD2 3.2Å; M77-L105 HydrophobicContact SD-CD2 4.22Å
78	N	95.8	Very high	96.4	Very high	55 Å²	55	45 Å²	45	29%	0.294	25%	0.245	S	C	.	.			trans	-111.6	157.1	179.1	-54.7	-55.7	0	0	0	111.3	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact CB-OD1 3.21Å; S9-N78 WeakPolarHBondContact OG-CA 3.47Å; S9-N78 PolarHBondContact OG-OD1 3.31Å; R61-N78 WeakPolarHBondContact CB-O 3.18Å; R61-N78 WeakPolarHBondContact O-CB 3.37Å; R61-N78 PolarHBondContact O-N 3.01Å; R61-N78 PolarHBondContact O-ND2 2.81Å; Q76-N78 PolarHBondContact NE2-OD1 2.95Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.94Å
79	A	94.8	Very high	96.4	Very high	50 Å²	50	44.6 Å²	44.6	41%	0.413	24%	0.24	S	C	.	.	S	Bend	trans	49.6	54.3	179.6	0	0	0	0	0	111.2	G8 R61	G8-A79 PolarHBondContact O-N 3.22Å; R61-A79 PolarHBondContact NH1-O 3.03Å
80	L	95.4	Very high	96.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.207	C	C	.	.			trans	-62.2	141.9	-178.4	-82.8	166.5	0	0	0	111.5	V4 P6 G7 G8 L10 F62 M77 N78 D84 L105 V107	V4-L80 HydrophobicContact CB-CD1 4.2Å; V4-L80 HydrophobicContact CG1-CD1 3.86Å; V4-L80 HydrophobicContact CG2-CD1 4.43Å; P6-L80 CarbonylContact C-O 3.46Å; G7-L80 PolarHBondContact N-O 2.94Å; G8-L80 WeakPolarHBondContact O-CB 3.43Å; G8-L80 PolarHBondContact O-N 2.88Å; L10-L80 HydrophobicContact CB-CD1 4.14Å; F62-L80 HydrophobicContact CE1-CD2 4.15Å; F62-L80 HydrophobicContact CZ-CD2 4.06Å; M77-L80 HydrophobicContact CB-CD1 4.46Å; M77-L80 HydrophobicContact CB-CD2 4.1Å; M77-L80 HydrophobicContact CB-CG 4.33Å; M77-L80 HydrophobicContact CE-CD2 3.34Å; M77-L80 HydrophobicContact CE-CG 4.45Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.94Å; L80-D84 HydrophobicContact CD2-CB 3.7Å; L80-L105 HydrophobicContact CD1-CD2 4.33Å; L80-L105 HydrophobicContact CD2-CD2 4.16Å; L80-V107 HydrophobicContact CB-CG1 4.27Å; L80-V107 HydrophobicContact CB-CG2 4.17Å; L80-V107 HydrophobicContact CD1-CG2 4.5Å; L80-V107 HydrophobicContact CD2-CG2 4.26Å
81	R	94.7	Very high	96.3	Very high	134 Å²	134	34.8 Å²	34.8	51%	0.506	18%	0.183	S	C	.	.			trans	-120.5	162.4	178.7	-50.7	176.9	178.1	170.6	-3	110.2	E83 D84 V107	R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 PolarHBondContact O-N 3.43Å; R81-D84 PolarHBondContact N-OD2 2.86Å; R81-D84 WeakPolarHBondContact O-CB 3.34Å; R81-D84 PolarHBondContact O-N 3.26Å; R81-V107 WeakPolarHBondContact O-CB 3.47Å; R81-V107 WeakPolarHBondContact O-CG1 3.4Å
82	A	93.1	Very high	96.2	Very high	52 Å²	52	34.7 Å²	34.7	43%	0.43	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-56.3	-35	178.1	0	0	0	0	0	111.7	D84 S85	A82-D84 PolarHBondContact O-N 3.08Å; A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.23Å; A82-S85 PolarHBondContact O-N 3.07Å; A82-S85 VanDerWaalsContact O-N 3.08Å; A82-S85 PolarHBondContact O-OG 3.12Å
83	E	93	Very high	95.3	Very high	129 Å²	129	33.7 Å²	33.7	60%	0.603	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-69.8	-13.5	178.8	-49.4	76.5	-149	0	0	113.4	R81 S85	R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 PolarHBondContact O-N 3.43Å; E83-S85 PolarHBondContact O-N 3.17Å
84	D	95.7	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-81.2	-0.4	173.2	-58.9	-48	0	0	0	112.3	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact CZ-OD1 3.22Å; R30-D84 IonicContact NH1-OD1 3.75Å; R30-D84 PolarHBondContact NH1-OD1 3.02Å; R61-D84 IonicContact CZ-OD1 2.97Å; R61-D84 IonicContact CZ-OD2 3.39Å; R61-D84 IonicContact NH1-OD1 3.29Å; R61-D84 IonicContact NH1-OD2 2.83Å; R61-D84 PolarHBondContact NH1-OD2 2.96Å; R61-D84 IonicContact NH2-OD1 2.62Å; R61-D84 PolarHBondContact NH2-OD1 3.43Å; R61-D84 IonicContact NH2-OD2 3.84Å; R61-D84 PolarHBondContact NH2-OD2 2.84Å; F62-D84 HydrophobicContact CZ-CB 4.32Å; L80-D84 HydrophobicContact CD2-CB 3.7Å; R81-D84 PolarHBondContact N-OD2 2.86Å; R81-D84 WeakPolarHBondContact O-CB 3.34Å; R81-D84 PolarHBondContact O-N 3.26Å; A82-D84 PolarHBondContact O-N 3.08Å; D84-A86 PolarHBondContact O-N 2.68Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 2.82Å
85	S	96.3	Very high	92.5	Very high	26 Å²	26	45 Å²	45	18%	0.182	23%	0.226	C	C	.	.			trans	-66.8	114.3	172	-58.1	0	0	0	0	110.9	A82 E83 L105 V107	A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.23Å; A82-S85 PolarHBondContact O-N 3.07Å; A82-S85 VanDerWaalsContact O-N 3.08Å; A82-S85 PolarHBondContact O-OG 3.12Å; E83-S85 PolarHBondContact O-N 3.17Å; S85-L105 WeakPolarHBondContact CA-O 3.35Å; S85-V107 PolarHBondContact OG-N 2.83Å; S85-V107 PolarHBondContact OG-O 2.83Å
86	A	97.1	Very high	91.5	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	169.6	-174.7	0	0	0	0	0	111.3	R30 Q31 P32 D84 Y88 L105	R30-A86 HydrophobicContact CB-CB 3.85Å; R30-A86 HydrophobicContact CG-CB 4.24Å; Q31-A86 WeakPolarHBondContact O-CA 3.23Å; Q31-A86 WeakPolarHBondContact O-CB 3.28Å; P32-A86 HydrophobicContact CG-CB 4.43Å; D84-A86 PolarHBondContact O-N 2.68Å; A86-Y88 HydrophobicContact CB-CD2 4.29Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; A86-Y88 WeakPolarHBondContact O-CD2 3.49Å; A86-L105 PolarHBondContact N-O 2.95Å; A86-L105 PolarHBondContact O-N 3.13Å
87	T	97.9	Very high	90.6	Very high	30 Å²	30	49.5 Å²	49.5	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.6	161.9	-56.6	0	0	0	0	109.1	R30 Q31 Y89 T103 T104	R30-T87 CarbonylContact C-O 3.59Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.36Å; Q31-T87 PolarHBondContact N-O 3.22Å; Q31-T87 PolarHBondContact O-N 3.32Å; T87-Y89 HydrophobicContact CG2-CE1 3.83Å; T87-Y89 HydrophobicContact CG2-CE2 3.77Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.28Å; T87-Y89 WeakPolarHBondContact O-CE2 3.39Å; T87-T103 WeakPolarHBondContact CA-O 3.21Å; T87-T104 PolarHBondContact OG1-OG1 3.35Å
88	Y	97.7	Very high	90	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.6	-176.4	-72.8	-103.1	0	0	0	110.3	L12 V29 R30 L40 F62 L75 M77 D84 A86 G102 T103 L105	L12-Y88 HydrophobicContact CD1-CD1 3.82Å; L12-Y88 HydrophobicContact CD1-CD2 4.14Å; L12-Y88 HydrophobicContact CD1-CG 3.58Å; V29-Y88 CarbonylContact O-C 3.6Å; V29-Y88 WeakPolarHBondContact O-CA 3.45Å; R30-Y88 HydrophobicContact CB-CD1 3.95Å; R30-Y88 HydrophobicContact CB-CE1 3.92Å; R30-Y88 HydrophobicContact CB-CE2 4.47Å; R30-Y88 HydrophobicContact CB-CG 4.25Å; L40-Y88 HydrophobicContact CD1-CD1 3.8Å; L40-Y88 HydrophobicContact CD1-CE1 3.44Å; L40-Y88 VanDerWaalsContact CD1-CE1 3.44Å; F62-Y88 HydrophobicContact CE2-CE1 4.36Å; L75-Y88 HydrophobicContact CD2-CD1 4.19Å; L75-Y88 HydrophobicContact CD2-CE1 4.34Å; M77-Y88 HydrophobicContact CE-CE1 3.83Å; M77-Y88 HydrophobicContact CE-CE2 4.28Å; M77-Y88 HydrophobicContact SD-CD1 4.5Å; M77-Y88 HydrophobicContact SD-CE1 4.11Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 2.82Å; A86-Y88 HydrophobicContact CB-CD2 4.29Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; A86-Y88 WeakPolarHBondContact O-CD2 3.49Å; Y88-G102 CarbonylContact O-C 3.53Å; Y88-G102 WeakPolarHBondContact O-CA 3.35Å; Y88-T103 PolarHBondContact N-O 2.81Å; Y88-T103 PolarHBondContact O-N 3.25Å; Y88-L105 HydrophobicContact CD2-CB 3.99Å; Y88-L105 HydrophobicContact CE2-CB 3.84Å; Y88-L105 HydrophobicContact CE2-CD2 4Å
89	Y	97.1	Very high	89.9	Confident	45 Å²	45	58.9 Å²	58.9	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.6	-179.3	-51.8	-90.2	0	0	0	109.6	W28 V29 Q31 L37 T87 W99	W28-Y89 WeakPolarHBondContact CA-O 3.47Å; V29-Y89 PolarHBondContact N-O 2.91Å; V29-Y89 PolarHBondContact O-N 3.07Å; Q31-Y89 HydrophobicContact CB-CE2 3.84Å; Q31-Y89 PolarHBondContact OE1-OH 2.85Å; L37-Y89 HydrophobicContact CD2-CD2 4.15Å; L37-Y89 HydrophobicContact CD2-CE2 4.08Å; T87-Y89 HydrophobicContact CG2-CE1 3.83Å; T87-Y89 HydrophobicContact CG2-CE2 3.77Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.28Å; T87-Y89 WeakPolarHBondContact O-CE2 3.39Å; Y89-W99 HydrophobicContact CG-CE3 4.11Å; Y89-W99 HydrophobicContact CG-CZ3 4.41Å
90	C	95.8	Very high	89.8	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.4	160.6	54.1	0	0	0	0	109.2	C14 S27 W28 L73 G100	C14-C90 HydrophobicContact CB-CB 3.42Å; C14-C90 VanDerWaalsContact CB-CB 3.42Å; C14-C90 WeakPolarHBondContact CB-SG 3.21Å; C14-C90 WeakPolarHBondContact SG-CB 3.48Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 3.12Å; S27-C90 CarbonylContact O-C 3.58Å; S27-C90 VanDerWaalsContact O-CA 3.29Å; S27-C90 WeakPolarHBondContact O-CA 3.25Å; W28-C90 HydrophobicContact CE3-CB 4.45Å; W28-C90 HydrophobicContact CH2-CB 4.38Å; W28-C90 HydrophobicContact CZ2-CB 4.47Å; W28-C90 HydrophobicContact CZ3-CB 4.35Å; L73-C90 HydrophobicContact CD2-CB 4.06Å; C90-G100 PolarHBondContact O-N 3.46Å
91	A	95.2	Very high	89.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.8	177.9	0	0	0	0	0	111.6	S27 F96 Y98 W99	S27-A91 PolarHBondContact N-O 3.08Å; S27-A91 PolarHBondContact O-N 2.98Å; A91-F96 HydrophobicContact CB-CB 4.14Å; A91-F96 HydrophobicContact CB-CD1 3.51Å; A91-F96 HydrophobicContact CB-CE1 4.36Å; A91-F96 HydrophobicContact CB-CG 4.23Å; A91-Y98 CarbonylContact C-O 3.55Å; A91-Y98 VanDerWaalsContact CA-O 3.24Å; A91-Y98 WeakPolarHBondContact CA-O 3.32Å; A91-W99 HydrophobicContact CB-CD2 4.06Å; A91-W99 HydrophobicContact CB-CE3 4.19Å; A91-W99 HydrophobicContact CB-CG 4.49Å; A91-W99 HydrophobicContact CB-CZ3 4.47Å
92	R	92.9	Very high	89.5	Confident	32 Å²	32	62 Å²	62	12%	0.121	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	-178.4	-171.5	-169.4	77.5	173.9	9.7	111.4	F19 Y24 M26 F96 D97 Y98	F19-R92 HydrophobicContact CE2-CG 4.01Å; F19-R92 HydrophobicContact CZ-CG 4.02Å; Y24-R92 HydrophobicContact CD1-CG 3.85Å; Y24-R92 HydrophobicContact CG-CG 3.87Å; M26-R92 HydrophobicContact CE-CB 4.39Å; M26-R92 HydrophobicContact SD-CB 4.2Å; M26-R92 HydrophobicContact SD-CG 3.99Å; R92-F96 CarbonylContact O-C 3.58Å; R92-F96 VanDerWaalsContact O-CA 3.31Å; R92-F96 WeakPolarHBondContact O-CA 3.25Å; R92-D97 PolarHBondContact O-N 3.3Å; R92-Y98 PolarHBondContact N-O 3.21Å
93	G	80.4	Confident	89.6	Confident	8 Å²	8	61.6 Å²	61.6	8%	0.082	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	173.3	169	0	0	0	0	0	114.7	Y25 Y95	Y25-G93 PolarHBondContact O-N 3.24Å; G93-Y95 VanDerWaalsContact C-N 3.3Å
94	N	66.7	Low	89.7	Confident	103 Å²	103	59 Å²	59	55%	0.551	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.3	179.6	-67.3	-26.4	0	0	0	113.1	Y25	Y25-N94 WeakPolarHBondContact CD2-OD1 3.45Å; Y25-N94 WeakPolarHBondContact CE2-OD1 3.35Å
95	Y	70.9	Confident	89.6	Confident	198 Å²	198	59 Å²	59	78%	0.776	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	5.3	-179.3	-60.2	-71.6	0	0	0	113	G93 D97	G93-Y95 VanDerWaalsContact C-N 3.3Å; Y95-D97 VanDerWaalsContact C-N 3.34Å; Y95-D97 WeakPolarHBondContact CB-OD1 3.4Å; Y95-D97 PolarHBondContact O-N 3.19Å
96	F	76.7	Confident	89.5	Confident	60 Å²	60	60.9 Å²	60.9	26%	0.263	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	47.9	-177.7	-49.5	-65.2	0	0	0	113.1	V29 W39 A91 R92 Y98 W99	V29-F96 HydrophobicContact CG2-CE1 4.28Å; W39-F96 AromaticContact CD1-CZ 3.72Å; A91-F96 HydrophobicContact CB-CB 4.14Å; A91-F96 HydrophobicContact CB-CD1 3.51Å; A91-F96 HydrophobicContact CB-CE1 4.36Å; A91-F96 HydrophobicContact CB-CG 4.23Å; R92-F96 CarbonylContact O-C 3.58Å; R92-F96 VanDerWaalsContact O-CA 3.31Å; R92-F96 WeakPolarHBondContact O-CA 3.25Å; F96-Y98 PolarHBondContact O-N 3.45Å; F96-Y98 VanDerWaalsContact O-N 3.13Å; F96-W99 HydrophobicContact CB-CZ2 3.49Å; F96-W99 VanDerWaalsContact CB-CZ2 3.49Å; F96-W99 HydrophobicContact CD2-CZ2 4.27Å; F96-W99 AromaticContact CG-CZ2 3.88Å; F96-W99 HydrophobicContact CG-CZ2 3.88Å; F96-W99 VanDerWaalsContact O-CD1 3.29Å; F96-W99 PolarHBondContact O-NE1 3.11Å
97	D	78.1	Confident	89.2	Confident	98 Å²	98	60.9 Å²	60.9	52%	0.524	30%	0.304	S	S	.	.			trans	-63	-24	-174.8	-54.6	-38.6	0	0	0	112.8	R92 Y95	R92-D97 PolarHBondContact O-N 3.3Å; Y95-D97 VanDerWaalsContact C-N 3.34Å; Y95-D97 WeakPolarHBondContact CB-OD1 3.4Å; Y95-D97 PolarHBondContact O-N 3.19Å
98	Y	85.7	Confident	88.7	Confident	146 Å²	146	61.8 Å²	61.8	57%	0.573	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.4	179.8	-67.7	-95.2	0	0	0	110.8	A91 R92 F96	A91-Y98 CarbonylContact C-O 3.55Å; A91-Y98 VanDerWaalsContact CA-O 3.24Å; A91-Y98 WeakPolarHBondContact CA-O 3.32Å; R92-Y98 PolarHBondContact N-O 3.21Å; F96-Y98 PolarHBondContact O-N 3.45Å; F96-Y98 VanDerWaalsContact O-N 3.13Å
99	W	92.8	Very high	87.7	Confident	107 Å²	107	66.1 Å²	66.1	41%	0.405	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.7	-178.6	-66	72.4	0	0	0	110.4	V29 L37 Y89 A91 F96	V29-W99 HydrophobicContact CB-CH2 4Å; V29-W99 HydrophobicContact CB-CZ3 3.67Å; V29-W99 HydrophobicContact CG1-CH2 3.84Å; V29-W99 HydrophobicContact CG1-CZ3 3.77Å; V29-W99 HydrophobicContact CG2-CH2 3.81Å; V29-W99 HydrophobicContact CG2-CZ3 3.87Å; L37-W99 HydrophobicContact CD1-CH2 4.01Å; L37-W99 HydrophobicContact CD1-CZ3 4.33Å; L37-W99 HydrophobicContact CD2-CZ3 4.22Å; Y89-W99 HydrophobicContact CG-CE3 4.11Å; Y89-W99 HydrophobicContact CG-CZ3 4.41Å; A91-W99 HydrophobicContact CB-CD2 4.06Å; A91-W99 HydrophobicContact CB-CE3 4.19Å; A91-W99 HydrophobicContact CB-CG 4.49Å; A91-W99 HydrophobicContact CB-CZ3 4.47Å; F96-W99 HydrophobicContact CB-CZ2 3.49Å; F96-W99 VanDerWaalsContact CB-CZ2 3.49Å; F96-W99 HydrophobicContact CD2-CZ2 4.27Å; F96-W99 AromaticContact CG-CZ2 3.88Å; F96-W99 HydrophobicContact CG-CZ2 3.88Å; F96-W99 VanDerWaalsContact O-CD1 3.29Å; F96-W99 PolarHBondContact O-NE1 3.11Å
100	G	91.8	Very high	85.9	Confident	25 Å²	25	71 Å²	71	26%	0.258	39%	0.392	S	S	.	.			trans	-69.7	165.2	166.2	0	0	0	0	0	111.6	C90 G102	C90-G100 PolarHBondContact O-N 3.46Å; G100-G102 PolarHBondContact O-N 3.08Å; G100-G102 VanDerWaalsContact O-N 3.08Å
101	Q	91.6	Very high	85.4	Confident	194 Å²	194	74.1 Å²	74.1	91%	0.907	41%	0.408	S	S	*	.			trans	-62.4	-17.3	-179.2	-66.4	-65.3	-42.7	0	0	114.1
102	G	93.1	Very high	84.9	Confident	32 Å²	32	77.9 Å²	77.9	33%	0.33	43%	0.429	S	S	.	.			trans	87.3	152.8	-177.4	0	0	0	0	0	112.9	Y88 G100	Y88-G102 CarbonylContact O-C 3.53Å; Y88-G102 WeakPolarHBondContact O-CA 3.35Å; G100-G102 PolarHBondContact O-N 3.08Å; G100-G102 VanDerWaalsContact O-N 3.08Å
103	T	94.9	Very high	84.5	Confident	44 Å²	44	80.5 Å²	80.5	27%	0.27	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.5	172.3	-170.3	0	0	0	0	110	L12 T87 Y88	L12-T103 HydrophobicContact CD1-CG2 4.09Å; L12-T103 HydrophobicContact CD2-CG2 3.96Å; T87-T103 WeakPolarHBondContact CA-O 3.21Å; Y88-T103 PolarHBondContact N-O 2.81Å; Y88-T103 PolarHBondContact O-N 3.25Å
104	T	95.1	Very high	84.7	Confident	74 Å²	74	84.8 Å²	84.8	45%	0.454	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.5	-180	-53.7	0	0	0	0	110.6	G1 G2 T87	G1-T104 CarbonylContact C-O 3.52Å; G1-T104 WeakPolarHBondContact CA-O 3.47Å; G2-T104 PolarHBondContact N-O 3.44Å; G2-T104 VanDerWaalsContact N-O 3.14Å; T87-T104 PolarHBondContact OG1-OG1 3.35Å
105	L	93.6	Very high	85.8	Confident	2 Å²	2	83.6 Å²	83.6	1%	0.01	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.6	171.9	176.6	66	0	0	0	108.8	G2 V4 L10 M77 L80 S85 A86 Y88 V107	G2-L105 WeakPolarHBondContact O-CD1 3.44Å; V4-L105 HydrophobicContact CG2-CD1 3.8Å; L10-L105 HydrophobicContact CD2-CD1 3.49Å; L10-L105 VanDerWaalsContact CD2-CD1 3.49Å; L10-L105 HydrophobicContact CD2-CD2 4.42Å; M77-L105 HydrophobicContact CE-CD2 3.2Å; M77-L105 HydrophobicContact SD-CD2 4.22Å; L80-L105 HydrophobicContact CD1-CD2 4.33Å; L80-L105 HydrophobicContact CD2-CD2 4.16Å; S85-L105 WeakPolarHBondContact CA-O 3.35Å; A86-L105 PolarHBondContact N-O 2.95Å; A86-L105 PolarHBondContact O-N 3.13Å; Y88-L105 HydrophobicContact CD2-CB 3.99Å; Y88-L105 HydrophobicContact CE2-CB 3.84Å; Y88-L105 HydrophobicContact CE2-CD2 4Å; L105-V107 HydrophobicContact CD2-CG2 4.36Å; L105-V107 HydrophobicContact CG-CG2 4.28Å
106	T	93.8	Very high	86.8	Confident	65 Å²	65	76 Å²	76	40%	0.399	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.6	173.2	-55.9	0	0	0	0	109.1	G2 L3 V4	G2-T106 PolarHBondContact O-N 3.19Å; L3-T106 WeakPolarHBondContact CA-O 3.38Å; L3-T106 HydrophobicContact CD1-CG2 4.04Å; V4-T106 PolarHBondContact N-O 3.45Å
107	V	90.9	Very high	87.5	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.024	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.9	175.4	-173.6	0	0	0	0	108.7	V4 P6 L80 R81 S85 L105	V4-V107 VanDerWaalsContact O-CA 3.23Å; V4-V107 WeakPolarHBondContact O-CA 3.41Å; P6-V107 HydrophobicContact CB-CG1 4.45Å; P6-V107 HydrophobicContact CG-CG1 4.12Å; L80-V107 HydrophobicContact CB-CG1 4.27Å; L80-V107 HydrophobicContact CB-CG2 4.17Å; L80-V107 HydrophobicContact CD1-CG2 4.5Å; L80-V107 HydrophobicContact CD2-CG2 4.26Å; R81-V107 WeakPolarHBondContact O-CB 3.47Å; R81-V107 WeakPolarHBondContact O-CG1 3.4Å; S85-V107 PolarHBondContact OG-N 2.83Å; S85-V107 PolarHBondContact OG-O 2.83Å; L105-V107 HydrophobicContact CD2-CG2 4.36Å; L105-V107 HydrophobicContact CG-CG2 4.28Å
108	S	87.6	Confident	88.3	Confident	48 Å²	48	75.5 Å²	75.5	34%	0.336	45%	0.449	S	S	.	.			trans	-144.9	146	178.9	63.8	0	0	0	0	110.9	L3 V4 A110	L3-S108 WeakPolarHBondContact CD1-OG 3.33Å; V4-S108 PolarHBondContact O-N 2.65Å; S108-A110 PolarHBondContact O-N 3.29Å
109	S	76.7	Confident	88.5	Confident	93 Å²	93	69.7 Å²	69.7	65%	0.65	44%	0.439	S	S	*	.			trans	-67	127.3	159.1	50	0	0	0	0	107
110	A	59.9	Low	88.1	Confident	148 Å²	148	66.3 Å²	66.3	100%	1.223	44%	0.442	S	S	*	.			trans	-55.7	0	172.5	0	0	0	0	0	111.3	S108	S108-A110 PolarHBondContact O-N 3.29Å

Retrieved 110 of 110 residues in 33.8 ms (Link to these results)

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