X5J4H2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4H2, Species MOUSE (Mus musculus, Mouse), Gene Ighv7-3, Length 110 aa.

						>X5J4H2_MOUSE|X5J4H2|Ighv7-3
GGLVQPGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGFIRNKANGYTTEYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCARDDYAMDYWGQGTSVTVSS
					

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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	58.1	Low	84.8	Confident	91 Å²	91	71.6 Å²	71.6	94%	0.938	46%	0.458	S	S	*	.				0	157.1	0	0	0	0	0	0	110.3	S105	G1-S105 CarbonylContact C-O 3.56Å; G1-S105 WeakPolarHBondContact CA-O 3.46Å
2	G	76.4	Confident	85.8	Confident	22 Å²	22	66.8 Å²	66.8	23%	0.227	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137	-176.8	0	0	0	0	0	112	S105 T107	G2-S105 PolarHBondContact N-O 2.85Å; G2-T107 PolarHBondContact O-N 2.65Å
3	L	81.9	Confident	86.7	Confident	130 Å²	130	67.9 Å²	67.9	68%	0.681	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.1	168.8	-174.6	67.8	0	0	0	108.1	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.45Å; L3-T107 HydrophobicContact CD1-CG2 3.97Å; L3-S109 WeakPolarHBondContact CD1-OG 3.47Å
4	V	84.7	Confident	87.3	Confident	21 Å²	21	64.1 Å²	64.1	13%	0.127	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.5	-176.6	-166.2	0	0	0	0	109.7	L10 L80 T107 V108 S109	V4-L10 HydrophobicContact CG2-CB 4.12Å; V4-L10 HydrophobicContact CG2-CD1 4.45Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; V4-L10 HydrophobicContact CG2-CG 4.46Å; V4-L80 HydrophobicContact CB-CD1 4.15Å; V4-L80 HydrophobicContact CG1-CD1 4Å; V4-L80 HydrophobicContact CG2-CD1 4.23Å; V4-T107 PolarHBondContact N-O 3.21Å; V4-V108 VanDerWaalsContact O-CA 3.26Å; V4-V108 WeakPolarHBondContact O-CA 3.42Å; V4-S109 PolarHBondContact O-N 3.09Å
5	Q	84.3	Confident	87.8	Confident	136 Å²	136	65.1 Å²	65.1	64%	0.636	43%	0.428	S	S	*	.			trans	-74.2	150.8	172	-71.3	-173.4	-20.3	0	0	111.2	G7 G8	Q5-G7 PolarHBondContact O-N 3.23Å; Q5-G8 PolarHBondContact O-N 3.28Å
6	P	85.8	Confident	87.8	Confident	72 Å²	72	61.9 Å²	61.9	47%	0.468	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	138.3	171.3	-25.6	33.8	0	0	0	112.1	G8 V108	P6-G8 PolarHBondContact O-N 3.04Å; P6-V108 HydrophobicContact CB-CG1 4.45Å; P6-V108 HydrophobicContact CG-CG1 4.13Å
7	G	85.8	Confident	87.8	Confident	53 Å²	53	63.2 Å²	63.2	55%	0.546	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-12.5	-174.8	0	0	0	0	0	114.5	Q5 L80	Q5-G7 PolarHBondContact O-N 3.23Å; G7-L80 PolarHBondContact N-O 2.93Å
8	G	90.7	Very high	87.7	Confident	23 Å²	23	64.4 Å²	64.4	24%	0.237	44%	0.443	C	S	.	.			trans	-69.5	174.3	175.7	0	0	0	0	0	113.9	Q5 P6 T79 L80	Q5-G8 PolarHBondContact O-N 3.28Å; P6-G8 PolarHBondContact O-N 3.04Å; G8-T79 PolarHBondContact O-N 3.2Å; G8-L80 WeakPolarHBondContact O-CB 3.42Å; G8-L80 PolarHBondContact O-N 2.81Å
9	S	93.9	Very high	87.8	Confident	66 Å²	66	62.9 Å²	62.9	46%	0.462	43%	0.428	S	S	.	.			trans	-123.9	147.3	176.3	-62.3	0	0	0	0	111.2	M77 N78	S9-M77 CarbonylContact C-O 3.52Å; S9-M77 WeakPolarHBondContact CA-O 3.46Å; S9-M77 WeakPolarHBondContact CB-O 3.38Å; S9-N78 WeakPolarHBondContact OG-CA 3.4Å; S9-N78 PolarHBondContact OG-OD1 2.78Å; S9-N78 VanDerWaalsContact OG-OD1 3.1Å
10	L	94.8	Very high	88	Confident	40 Å²	40	63.8 Å²	63.8	21%	0.209	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.4	175.7	-177.7	64.8	0	0	0	109.5	V4 L12 M77 L80 V106	V4-L10 HydrophobicContact CG2-CB 4.12Å; V4-L10 HydrophobicContact CG2-CD1 4.45Å; V4-L10 HydrophobicContact CG2-CD2 4.09Å; V4-L10 HydrophobicContact CG2-CG 4.46Å; L10-L12 HydrophobicContact CD2-CD2 3.63Å; L10-L12 HydrophobicContact CG-CD2 4.04Å; L10-M77 HydrophobicContact CB-CE 3.96Å; L10-M77 HydrophobicContact CD2-CE 3.85Å; L10-M77 HydrophobicContact CG-CE 4.26Å; L10-M77 PolarHBondContact N-O 2.79Å; L10-M77 PolarHBondContact O-N 2.84Å; L10-L80 HydrophobicContact CB-CD1 3.92Å; L10-V106 HydrophobicContact CD2-CG1 3.93Å; L10-V106 HydrophobicContact CD2-CG2 3.84Å
11	R	96.6	Very high	88.2	Confident	134 Å²	134	60.9 Å²	60.9	51%	0.506	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.6	170.4	-168	174.4	175.8	179.7	-1.6	109.7	Y74 L75	R11-Y74 HydrophobicContact CG-CD1 4.47Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.35Å; R11-Y74 VanDerWaalsContact NH2-CG 3.28Å; R11-L75 WeakPolarHBondContact CA-O 3.46Å
12	L	97.1	Very high	89.9	Confident	13 Å²	13	59 Å²	59	7%	0.068	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.2	170.1	-55.4	-175.8	0	0	0	109.8	L10 W28 Y74 L75 M77 Y88 T104 V106	L10-L12 HydrophobicContact CD2-CD2 3.63Å; L10-L12 HydrophobicContact CG-CD2 4.04Å; L12-W28 HydrophobicContact CB-CH2 3.84Å; L12-W28 HydrophobicContact CB-CZ2 4.31Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.26Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.39Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.85Å; L12-M77 HydrophobicContact CD1-CE 4.23Å; L12-M77 HydrophobicContact CD1-SD 4.18Å; L12-M77 HydrophobicContact CG-CE 4.22Å; L12-Y88 HydrophobicContact CD1-CD1 3.99Å; L12-Y88 HydrophobicContact CD1-CD2 4.2Å; L12-Y88 HydrophobicContact CD1-CG 3.66Å; L12-T104 HydrophobicContact CD1-CG2 4.43Å; L12-T104 HydrophobicContact CD2-CG2 3.83Å; L12-V106 HydrophobicContact CD1-CG2 4.11Å; L12-V106 HydrophobicContact CD2-CG2 3.9Å
13	S	96.8	Very high	90.7	Very high	82 Å²	82	62.2 Å²	62.2	57%	0.573	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.7	169.7	58.3	0	0	0	0	109.8	L73	S13-L73 CarbonylContact C-O 3.59Å; S13-L73 WeakPolarHBondContact CA-O 3.33Å
14	C	95.6	Very high	91.2	Very high	14 Å²	14	58.8 Å²	58.8	10%	0.095	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	108.6	172.4	161.6	0	0	0	0	108.5	W28 I72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; C14-I72 CarbonylContact O-C 3.53Å; C14-I72 WeakPolarHBondContact O-CA 3.28Å; C14-L73 HydrophobicContact CB-CB 4.4Å; C14-L73 PolarHBondContact N-O 3.06Å; C14-L73 PolarHBondContact O-N 3.23Å; C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.2Å; C14-C90 WeakPolarHBondContact SG-CB 3.31Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.99Å
15	A	93.9	Very high	91.7	Very high	79 Å²	79	60.7 Å²	60.7	65%	0.653	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.1	169.3	0	0	0	0	0	109.1	I72	A15-I72 HydrophobicContact CB-CG1 4.25Å
16	T	88.2	Confident	92.3	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.086	35%	0.348	C	S	.	.			trans	-117.9	151.6	-179.7	60.4	0	0	0	0	110.5	F19 F21 M26 S71	T16-F19 HydrophobicContact CG2-CE1 4.41Å; T16-F19 HydrophobicContact CG2-CZ 4.11Å; T16-F21 HydrophobicContact CG2-CD2 4.43Å; T16-F21 HydrophobicContact CG2-CE2 4.47Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; T16-M26 HydrophobicContact CG2-CE 3.98Å; T16-S71 PolarHBondContact N-O 2.98Å; T16-S71 PolarHBondContact OG1-O 2.78Å
17	S	88.1	Confident	92.8	Very high	85 Å²	85	50.9 Å²	50.9	59%	0.594	33%	0.325	S	S	*	.			trans	-149.6	167.1	175.1	59.6	0	0	0	0	109.2	Y99	S17-Y99 PolarHBondContact O-OH 3.47Å
18	G	86.6	Confident	93.4	Very high	85 Å²	85	48.6 Å²	48.6	88%	0.876	30%	0.3	S	S	*	.	S	Bend	trans	87.7	0.6	178.8	0	0	0	0	0	115.6
19	F	88.5	Confident	93.7	Very high	35 Å²	35	47.7 Å²	47.7	15%	0.154	29%	0.29	C	S	.	.	S	Bend	trans	-153.4	163.9	171.3	63.6	-85.1	0	0	0	111.2	T16 F21 Y24 M26 R92 Y99	T16-F19 HydrophobicContact CG2-CE1 4.41Å; T16-F19 HydrophobicContact CG2-CZ 4.11Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 2.84Å; F19-Y24 HydrophobicContact CB-CE2 4.25Å; F19-Y24 AromaticContact CD2-CD2 3.53Å; F19-Y24 HydrophobicContact CD2-CD2 3.53Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.5Å; F19-M26 HydrophobicContact CE2-SD 3.98Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.01Å; F19-R92 HydrophobicContact CE2-CG 4.36Å; F19-R92 HydrophobicContact CZ-CB 4.41Å; F19-Y99 HydrophobicContact CD1-CD1 4.31Å; F19-Y99 HydrophobicContact CD1-CD2 4.28Å; F19-Y99 HydrophobicContact CD1-CE1 4.46Å; F19-Y99 HydrophobicContact CD1-CE2 4.41Å; F19-Y99 HydrophobicContact CD1-CG 4.23Å; F19-Y99 AromaticContact CE1-CD1 3.55Å; F19-Y99 HydrophobicContact CE1-CD1 3.55Å; F19-Y99 HydrophobicContact CE1-CD2 4.31Å; F19-Y99 AromaticContact CE1-CE1 3.7Å; F19-Y99 HydrophobicContact CE1-CE1 3.7Å; F19-Y99 HydrophobicContact CE1-CE2 4.42Å; F19-Y99 AromaticContact CE1-CG 3.89Å; F19-Y99 HydrophobicContact CE1-CG 3.89Å; F19-Y99 HydrophobicContact CZ-CD1 4.34Å
20	T	91.8	Very high	93.9	Very high	80 Å²	80	45.2 Å²	45.2	49%	0.491	27%	0.271	S	S	.	.			trans	-74.5	88.7	176.2	-47.9	0	0	0	0	110.3	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.37Å; T20-T22 PolarHBondContact O-N 3.27Å; T20-D23 WeakPolarHBondContact CB-OD2 3.33Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.42Å; T20-D23 PolarHBondContact O-N 3.16Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å
21	F	92.4	Very high	94	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-47.7	-38.3	-174.8	178.2	-102.8	0	0	0	113.9	T16 F19 D23 Y24 M26 R66 N68 L73	T16-F21 HydrophobicContact CG2-CD2 4.43Å; T16-F21 HydrophobicContact CG2-CE2 4.47Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 2.84Å; F21-D23 PolarHBondContact O-N 2.77Å; F21-D23 VanDerWaalsContact O-N 3.17Å; F21-Y24 PolarHBondContact O-N 2.96Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 4.12Å; F21-R66 HydrophobicContact CE1-CB 4.04Å; F21-R66 HydrophobicContact CZ-CB 3.95Å; F21-R66 PolarHBondContact O-NH2 2.6Å; F21-N68 WeakPolarHBondContact CD1-OD1 3.49Å; F21-N68 VanDerWaalsContact CE1-OD1 3.26Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.35Å; F21-L73 HydrophobicContact CE2-CB 4.36Å; F21-L73 HydrophobicContact CZ-CB 4.34Å
22	T	93.8	Very high	94	Very high	52 Å²	52	41.3 Å²	41.3	32%	0.319	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-60.9	-23.7	-177.8	53.6	0	0	0	0	114.9	T20 N45 N68	T20-T22 WeakPolarHBondContact CG2-OG1 3.37Å; T20-T22 PolarHBondContact O-N 3.27Å; T22-N45 WeakPolarHBondContact O-CB 3.45Å; T22-N68 HydrophobicContact CG2-CB 3.79Å
23	D	92.5	Very high	93.9	Very high	89 Å²	89	46 Å²	46	48%	0.476	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-90.9	-22.6	-168.5	-59.7	-9.8	0	0	0	111.6	T20 F21 N45	T20-D23 WeakPolarHBondContact CB-OD2 3.33Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.42Å; T20-D23 PolarHBondContact O-N 3.16Å; F21-D23 PolarHBondContact O-N 2.77Å; F21-D23 VanDerWaalsContact O-N 3.17Å; D23-N45 PolarHBondContact O-ND2 2.8Å
24	Y	93.8	Very high	93.8	Very high	58 Å²	58	46.5 Å²	46.5	23%	0.227	31%	0.308	C	S	.	.	S	Bend	trans	-103.6	155.7	-172.8	-59.8	-82.8	0	0	0	112.7	F19 T20 F21 R66 R92 D94	F19-Y24 HydrophobicContact CB-CE2 4.25Å; F19-Y24 AromaticContact CD2-CD2 3.53Å; F19-Y24 HydrophobicContact CD2-CD2 3.53Å; F19-Y24 AromaticContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CE2 3.94Å; F19-Y24 HydrophobicContact CD2-CG 4.39Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CD2 4.5Å; T20-Y24 VanDerWaalsContact O-CD2 3.26Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å; F21-Y24 PolarHBondContact O-N 2.96Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; Y24-R92 HydrophobicContact CD1-CG 4.03Å; Y24-R92 HydrophobicContact CG-CG 3.87Å; Y24-R92 VanDerWaalsContact CZ-NH1 3.26Å; Y24-R92 PolarHBondContact OH-NH1 2.84Å; Y24-D94 HydrophobicContact CD1-CB 3.91Å; Y24-D94 HydrophobicContact CE1-CB 4.4Å; Y24-D94 WeakPolarHBondContact CE1-OD2 3.42Å
25	Y	95.4	Very high	93.8	Very high	62 Å²	62	52.7 Å²	52.7	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	159.1	163.3	-45.7	-19.3	0	0	0	108.3	I43 R44 N45 N48 D93	Y25-I43 WeakPolarHBondContact CA-O 2.84Å; Y25-I43 WeakPolarHBondContact CB-O 3.44Å; Y25-R44 VanDerWaalsContact CD1-CA 3.44Å; Y25-R44 HydrophobicContact CD1-CB 3.78Å; Y25-R44 HydrophobicContact CD1-CG 4.18Å; Y25-R44 HydrophobicContact CD2-CG 4.09Å; Y25-R44 HydrophobicContact CE1-CB 3.69Å; Y25-R44 HydrophobicContact CE1-CG 4.02Å; Y25-R44 HydrophobicContact CE2-CG 3.95Å; Y25-R44 HydrophobicContact CG-CB 4.22Å; Y25-R44 HydrophobicContact CG-CG 4.2Å; Y25-N45 HydrophobicContact CD1-CB 4.08Å; Y25-N45 HydrophobicContact CE1-CB 4.26Å; Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.32Å; Y25-N48 PolarHBondContact OH-ND2 2.83Å; Y25-N48 PolarHBondContact OH-OD1 2.97Å; Y25-D93 CarbonylContact C-O 3.6Å; Y25-D93 WeakPolarHBondContact CA-O 3.26Å; Y25-D93 WeakPolarHBondContact CB-O 3.44Å; Y25-D93 PolarHBondContact N-O 3.07Å; Y25-D93 PolarHBondContact O-N 3.4Å
26	M	96.1	Very high	93.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.2	-174.9	-63.5	-59.8	-54	0	0	109.1	T16 F19 F21 F42 I43 L73 A91 R92	T16-M26 HydrophobicContact CG2-CE 3.98Å; F19-M26 HydrophobicContact CE2-SD 3.98Å; F19-M26 HydrophobicContact CZ-CE 4.1Å; F19-M26 HydrophobicContact CZ-SD 4.01Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CD2-CG 4.13Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.87Å; F21-M26 HydrophobicContact CZ-CG 4.12Å; M26-F42 CarbonylContact O-C 3.42Å; M26-F42 WeakPolarHBondContact O-CA 3.4Å; M26-F42 WeakPolarHBondContact O-CB 3.2Å; M26-I43 HydrophobicContact CB-CG2 4.16Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 VanDerWaalsContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 3.35Å; M26-L73 HydrophobicContact CB-CD1 3.61Å; M26-L73 HydrophobicContact CB-CD2 3.79Å; M26-L73 HydrophobicContact CB-CG 4.24Å; M26-L73 HydrophobicContact CG-CD1 4.38Å; M26-A91 WeakPolarHBondContact CA-O 3.32Å; M26-A91 WeakPolarHBondContact CE-O 3.4Å; M26-R92 HydrophobicContact SD-CB 4.44Å
27	S	96.8	Very high	94.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.1	-177.2	-104	0	0	0	0	111.9	W39 G41 F42 C90 A91 D93	S27-W39 PolarHBondContact OG-NE1 2.87Å; S27-G41 CarbonylContact C-O 3.59Å; S27-G41 WeakPolarHBondContact CA-O 3.45Å; S27-G41 PolarHBondContact OG-O 3.07Å; S27-F42 WeakPolarHBondContact OG-CB 3.01Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 WeakPolarHBondContact O-CA 3.43Å; S27-A91 PolarHBondContact N-O 3.03Å; S27-A91 PolarHBondContact O-N 2.77Å; S27-D93 PolarHBondContact OG-OD2 3.25Å
28	W	97.6	Very high	94.7	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.6	160.7	-78.8	96.8	0	0	0	109.7	L12 C14 L40 G41 L73 Y74 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.84Å; L12-W28 HydrophobicContact CB-CZ2 4.31Å; L12-W28 HydrophobicContact CB-CZ3 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.23Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.1Å; W28-L40 HydrophobicContact CB-CB 4.28Å; W28-L40 HydrophobicContact CB-CD1 4.47Å; W28-L40 WeakPolarHBondContact O-CB 3.37Å; W28-L40 PolarHBondContact O-N 3.33Å; W28-G41 PolarHBondContact N-O 2.7Å; W28-L73 HydrophobicContact CD2-CD2 4.33Å; W28-L73 HydrophobicContact CG-CD2 4.31Å; W28-L73 HydrophobicContact CZ2-CD2 4.23Å; W28-L73 HydrophobicContact CZ2-CG 4.31Å; W28-Y74 PolarHBondContact NE1-O 2.89Å; W28-L75 HydrophobicContact CB-CD2 4.41Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.05Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.29Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.18Å; W28-L75 HydrophobicContact CG-CD2 4.1Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.9Å; W28-Y89 WeakPolarHBondContact CA-O 3.36Å; W28-Y89 VanDerWaalsContact CE3-O 3.3Å; W28-C90 HydrophobicContact CE3-CB 4.49Å; W28-C90 HydrophobicContact CH2-CB 4.37Å; W28-C90 HydrophobicContact CZ2-CB 4.5Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å
29	V	97.4	Very high	95.2	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.9	178	-176.8	0	0	0	0	107.3	L37 E38 Y88 Y89 M97 W100	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; V29-Y88 CarbonylContact O-C 3.52Å; V29-Y89 PolarHBondContact N-O 2.85Å; V29-Y89 PolarHBondContact O-N 2.82Å; V29-M97 HydrophobicContact CG2-SD 4.24Å; V29-W100 HydrophobicContact CB-CH2 4.07Å; V29-W100 HydrophobicContact CB-CZ3 3.75Å; V29-W100 HydrophobicContact CG1-CH2 3.93Å; V29-W100 HydrophobicContact CG1-CZ3 3.84Å; V29-W100 HydrophobicContact CG2-CH2 3.82Å; V29-W100 HydrophobicContact CG2-CZ3 3.9Å
30	R	97.5	Very high	95.6	Very high	14 Å²	14	53.9 Å²	53.9	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.8	172	69	174.9	179.6	-167.3	0.8	111.9	L37 E38 L40 D84 A86 T87 Y88	R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.38Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 2.75Å; R30-E38 IonicContact NE-OE1 3.27Å; R30-E38 IonicContact NE-OE2 2.84Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE1 2.87Å; R30-E38 PolarHBondContact NH2-OE1 3.03Å; R30-E38 IonicContact NH2-OE2 3.98Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 2.84Å; R30-L40 HydrophobicContact CB-CD1 4.02Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.05Å; R30-L40 HydrophobicContact CG-CD2 3.75Å; R30-L40 HydrophobicContact CG-CG 4.01Å; R30-D84 IonicContact NH1-OD1 3.25Å; R30-D84 PolarHBondContact NH1-OD1 3.08Å; R30-A86 HydrophobicContact CB-CB 3.88Å; R30-A86 HydrophobicContact CG-CB 4.31Å; R30-T87 CarbonylContact C-O 3.58Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.3Å; R30-Y88 HydrophobicContact CB-CD1 3.98Å; R30-Y88 HydrophobicContact CB-CE1 3.96Å; R30-Y88 HydrophobicContact CB-CG 4.31Å
31	Q	97.7	Very high	95.9	Very high	75 Å²	75	50 Å²	50	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	102.7	171.8	-169.1	178.9	26.8	0	0	109.3	K35 L37 A86 T87 Y89	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.33Å; Q31-A86 WeakPolarHBondContact O-CA 3.3Å; Q31-A86 WeakPolarHBondContact O-CB 3.45Å; Q31-T87 PolarHBondContact N-O 3.22Å; Q31-T87 PolarHBondContact O-N 3.02Å; Q31-Y89 HydrophobicContact CB-CE2 3.82Å; Q31-Y89 PolarHBondContact OE1-OH 2.92Å
32	P	96.4	Very high	96.1	Very high	17 Å²	17	51.1 Å²	51.1	11%	0.11	29%	0.287	C	S	.	.			trans	-64.7	152.5	170.1	-17.5	30.5	0	0	0	110.9	G34 K35 A86	P32-G34 PolarHBondContact O-N 3.44Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.27Å; P32-K35 PolarHBondContact O-N 2.59Å; P32-A86 HydrophobicContact CG-CB 4.47Å
33	P	94.4	Very high	96.3	Very high	112 Å²	112	49 Å²	49	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	125.9	177.9	-25.2	34.1	0	0	0	112	K35	P33-K35 PolarHBondContact O-N 3.23Å
34	G	95.6	Very high	96.4	Very high	93 Å²	93	47.6 Å²	47.6	96%	0.959	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	11.4	179.4	0	0	0	0	0	115.4	P32	P32-G34 PolarHBondContact O-N 3.44Å
35	K	95.9	Very high	96.5	Very high	144 Å²	144	45.8 Å²	45.8	63%	0.626	26%	0.256	S	S	*	.	S	Bend	trans	-117.9	164.5	179.3	-60.3	-168.4	-176.3	177.7	0	112.2	Q31 P32 P33	Q31-K35 WeakPolarHBondContact CG-O 3.26Å; P32-K35 HydrophobicContact CB-CB 4.03Å; P32-K35 HydrophobicContact CB-CD 3.98Å; P32-K35 HydrophobicContact CB-CG 4.19Å; P32-K35 HydrophobicContact CG-CB 4.25Å; P32-K35 HydrophobicContact CG-CD 4.27Å; P32-K35 PolarHBondContact O-N 2.59Å; P33-K35 PolarHBondContact O-N 3.23Å
36	A	95.9	Very high	96.5	Very high	82 Å²	82	50 Å²	50	68%	0.678	28%	0.275	S	S	*	.			trans	-66.8	165.7	172.1	0	0	0	0	0	111.7
37	L	96.2	Very high	96.4	Very high	93 Å²	93	54.2 Å²	54.2	49%	0.487	31%	0.311	S	S	.	.			trans	-64.4	136.6	171.7	-72.2	163.7	0	0	0	110.5	V29 R30 Q31 Y89 W100	V29-L37 HydrophobicContact CG1-CB 3.89Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.38Å; Q31-L37 HydrophobicContact CB-CD2 3.8Å; Q31-L37 HydrophobicContact CG-CD2 4.33Å; L37-Y89 HydrophobicContact CD2-CD2 4.07Å; L37-Y89 HydrophobicContact CD2-CE2 4Å; L37-W100 HydrophobicContact CD1-CH2 4.06Å; L37-W100 HydrophobicContact CD1-CZ3 4.32Å; L37-W100 HydrophobicContact CD2-CZ3 4.3Å
38	E	96.8	Very high	96.3	Very high	58 Å²	58	57.7 Å²	57.7	27%	0.271	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.3	177	-176.5	-169	169.9	0	0	109	V29 R30 S57	V29-E38 CarbonylContact C-O 3.47Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-E38 WeakPolarHBondContact CG1-O 3.31Å; R30-E38 HydrophobicContact CG-CB 4.14Å; R30-E38 IonicContact CZ-OE2 2.78Å; R30-E38 VanDerWaalsContact CZ-OE2 3.25Å; R30-E38 PolarHBondContact N-O 2.75Å; R30-E38 IonicContact NE-OE1 3.27Å; R30-E38 IonicContact NE-OE2 2.84Å; R30-E38 PolarHBondContact NE-OE2 2.89Å; R30-E38 IonicContact NH2-OE1 2.87Å; R30-E38 PolarHBondContact NH2-OE1 3.03Å; R30-E38 IonicContact NH2-OE2 3.98Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 2.84Å; E38-S57 VanDerWaalsContact OE1-CB 3.31Å; E38-S57 WeakPolarHBondContact OE1-CB 3.3Å; E38-S57 PolarHBondContact OE1-OG 3.49Å
39	W	96.4	Very high	96.2	Very high	87 Å²	87	60 Å²	60	33%	0.33	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.9	171.5	176	82.2	0	0	0	110.8	S27 G41 F42 E53 S55	S27-W39 PolarHBondContact OG-NE1 2.87Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 2.84Å; W39-F42 HydrophobicContact CH2-CD1 4.39Å; W39-F42 HydrophobicContact CZ2-CB 4.43Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CE1 4Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; W39-E53 HydrophobicContact CH2-CB 4.23Å; W39-S55 VanDerWaalsContact O-CB 3.3Å; W39-S55 WeakPolarHBondContact O-CB 3.34Å; W39-S55 PolarHBondContact O-OG 3.43Å
40	L	97.4	Very high	96.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-34	-177.2	-63.9	-176.5	0	0	0	113.5	W28 R30 Y54 S55 V58 F62 L75 Y88	W28-L40 HydrophobicContact CB-CB 4.28Å; W28-L40 HydrophobicContact CB-CD1 4.47Å; W28-L40 WeakPolarHBondContact O-CB 3.37Å; W28-L40 PolarHBondContact O-N 3.33Å; R30-L40 HydrophobicContact CB-CD1 4.02Å; R30-L40 HydrophobicContact CB-CG 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.05Å; R30-L40 HydrophobicContact CG-CD2 3.75Å; R30-L40 HydrophobicContact CG-CG 4.01Å; L40-Y54 CarbonylContact O-C 3.59Å; L40-Y54 WeakPolarHBondContact O-CA 3.27Å; L40-S55 PolarHBondContact O-N 2.8Å; L40-S55 PolarHBondContact O-OG 2.57Å; L40-V58 HydrophobicContact CB-CG2 4.25Å; L40-V58 HydrophobicContact CD2-CG1 3.67Å; L40-V58 HydrophobicContact CD2-CG2 4.46Å; L40-V58 VanDerWaalsContact O-CG2 3.27Å; L40-V58 WeakPolarHBondContact O-CG2 3.34Å; L40-F62 HydrophobicContact CD1-CE2 4.45Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.52Å
41	G	97.2	Very high	96.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	164.1	-172.9	0	0	0	0	0	112.3	S27 W28 W39 E53 I64	S27-G41 CarbonylContact C-O 3.59Å; S27-G41 WeakPolarHBondContact CA-O 3.45Å; S27-G41 PolarHBondContact OG-O 3.07Å; W28-G41 PolarHBondContact N-O 2.7Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.42Å; W39-G41 PolarHBondContact NE1-O 2.84Å; G41-E53 CarbonylContact C-O 3.52Å; G41-E53 WeakPolarHBondContact CA-O 3.42Å; G41-I64 WeakPolarHBondContact O-CD1 3.5Å
42	F	97.1	Very high	96.1	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.6	170.1	68.5	-108.8	0	0	0	112	M26 S27 W39 R44 T52 E53	M26-F42 CarbonylContact O-C 3.42Å; M26-F42 WeakPolarHBondContact O-CA 3.4Å; M26-F42 WeakPolarHBondContact O-CB 3.2Å; S27-F42 WeakPolarHBondContact OG-CB 3.01Å; W39-F42 HydrophobicContact CH2-CD1 4.39Å; W39-F42 HydrophobicContact CZ2-CB 4.43Å; W39-F42 AromaticContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CD1 3.45Å; W39-F42 VanDerWaalsContact CZ2-CD1 3.45Å; W39-F42 HydrophobicContact CZ2-CE1 4Å; W39-F42 HydrophobicContact CZ2-CG 4.28Å; F42-R44 HydrophobicContact CD2-CG 3.99Å; F42-R44 HydrophobicContact CE2-CG 3.53Å; F42-T52 VanDerWaalsContact O-CA 3.3Å; F42-T52 WeakPolarHBondContact O-CA 3.46Å; F42-E53 HydrophobicContact CE1-CB 3.92Å; F42-E53 HydrophobicContact CE1-CG 4.39Å; F42-E53 HydrophobicContact CE2-CB 4.27Å; F42-E53 HydrophobicContact CE2-CG 4.3Å; F42-E53 HydrophobicContact CZ-CB 3.78Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.81Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.21Å; F42-E53 PolarHBondContact N-O 2Å; F42-E53 PolarHBondContact O-N 2.83Å
43	I	97.6	Very high	96.1	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.046	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.2	165.8	-174.3	161.2	0	0	0	110.1	Y25 M26 T52 I64 R66 L73	Y25-I43 WeakPolarHBondContact CA-O 2.84Å; Y25-I43 WeakPolarHBondContact CB-O 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.16Å; M26-I43 PolarHBondContact N-O 2.89Å; M26-I43 VanDerWaalsContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 3.35Å; I43-T52 HydrophobicContact CB-CG2 3.82Å; I43-T52 HydrophobicContact CD1-CG2 3.89Å; I43-T52 HydrophobicContact CG1-CG2 3.73Å; I43-I64 HydrophobicContact CB-CG2 3.74Å; I43-I64 HydrophobicContact CG2-CG2 3.59Å; I43-R66 HydrophobicContact CD1-CG 3.88Å; I43-R66 HydrophobicContact CG1-CG 4.47Å; I43-R66 HydrophobicContact CG2-CB 4.42Å; I43-R66 HydrophobicContact CG2-CG 4.49Å; I43-L73 HydrophobicContact CG2-CD1 3.54Å
44	R	96	Very high	96.3	Very high	58 Å²	58	66.4 Å²	66.4	22%	0.219	38%	0.377	C	S	.	.			trans	-71.3	164.3	176.4	-58.2	-163.3	172.4	80.5	-0.1	111.7	Y25 F42 N48 T51 E53 R66	Y25-R44 VanDerWaalsContact CD1-CA 3.44Å; Y25-R44 HydrophobicContact CD1-CB 3.78Å; Y25-R44 HydrophobicContact CD1-CG 4.18Å; Y25-R44 HydrophobicContact CD2-CG 4.09Å; Y25-R44 HydrophobicContact CE1-CB 3.69Å; Y25-R44 HydrophobicContact CE1-CG 4.02Å; Y25-R44 HydrophobicContact CE2-CG 3.95Å; Y25-R44 HydrophobicContact CG-CB 4.22Å; Y25-R44 HydrophobicContact CG-CG 4.2Å; F42-R44 HydrophobicContact CD2-CG 3.99Å; F42-R44 HydrophobicContact CE2-CG 3.53Å; R44-N48 HydrophobicContact CB-CB 3.78Å; R44-N48 HydrophobicContact CG-CB 4.33Å; R44-T51 VanDerWaalsContact CD-OG1 3.28Å; R44-T51 WeakPolarHBondContact CD-OG1 3.43Å; R44-T51 PolarHBondContact N-O 2.95Å; R44-T51 PolarHBondContact NH1-OG1 2.91Å; R44-E53 IonicContact CZ-OE1 3.28Å; R44-E53 VanDerWaalsContact CZ-OE1 3.28Å; R44-E53 IonicContact NH1-OE1 3.02Å; R44-E53 PolarHBondContact NH1-OE1 2.8Å; R44-E53 IonicContact NH2-OE1 2.67Å; R44-E53 PolarHBondContact NH2-OE1 3.26Å; R44-R66 PolarHBondContact O-NH1 3.33Å
45	N	95	Very high	96.4	Very high	20 Å²	20	62.8 Å²	62.8	11%	0.107	34%	0.337	C	S	.	.			trans	-71.6	-179.8	175	70.5	16.1	0	0	0	111.7	T22 D23 Y25 A47 N48 G49 Y50	T22-N45 WeakPolarHBondContact O-CB 3.45Å; D23-N45 PolarHBondContact O-ND2 2.8Å; Y25-N45 HydrophobicContact CD1-CB 4.08Å; Y25-N45 HydrophobicContact CE1-CB 4.26Å; N45-A47 VanDerWaalsContact C-N 3.32Å; N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 WeakPolarHBondContact OD1-CB 3.48Å; N45-A47 PolarHBondContact OD1-N 3.16Å; N45-A47 VanDerWaalsContact OD1-N 3.08Å; N45-N48 PolarHBondContact O-N 3.42Å; N45-N48 PolarHBondContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 3.44Å; N45-G49 PolarHBondContact O-N 2.89Å; N45-Y50 PolarHBondContact O-N 3.03Å; N45-Y50 VanDerWaalsContact O-N 3.14Å
46	K	94.4	Very high	96.4	Very high	150 Å²	150	60.8 Å²	60.8	65%	0.652	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62	-39.1	179.5	-173.7	175.4	177.7	-178	0	112.5	N48 G49 Y50	K46-N48 PolarHBondContact O-N 3.29Å; K46-G49 PolarHBondContact O-N 2.8Å; K46-G49 VanDerWaalsContact O-N 3.09Å; K46-Y50 HydrophobicContact CB-CE1 3.86Å; K46-Y50 HydrophobicContact CB-CE2 4.16Å; K46-Y50 WeakPolarHBondContact CB-OH 3.43Å; K46-Y50 HydrophobicContact CG-CE2 3.92Å; K46-Y50 WeakPolarHBondContact CG-OH 3.17Å
47	A	94.1	Very high	96.3	Very high	91 Å²	91	58.8 Å²	58.8	75%	0.752	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.1	-29.1	-178.2	0	0	0	0	0	112.1	N45	N45-A47 VanDerWaalsContact C-N 3.32Å; N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 WeakPolarHBondContact OD1-CB 3.48Å; N45-A47 PolarHBondContact OD1-N 3.16Å; N45-A47 VanDerWaalsContact OD1-N 3.08Å
48	N	95.1	Very high	96.3	Very high	72 Å²	72	54.4 Å²	54.4	39%	0.385	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-104.3	25.7	178	-58.7	95.5	0	0	0	113.1	Y25 R44 N45 K46 Y50 T51	Y25-N48 HydrophobicContact CE1-CB 4.26Å; Y25-N48 WeakPolarHBondContact CE1-OD1 3.32Å; Y25-N48 PolarHBondContact OH-ND2 2.83Å; Y25-N48 PolarHBondContact OH-OD1 2.97Å; R44-N48 HydrophobicContact CB-CB 3.78Å; R44-N48 HydrophobicContact CG-CB 4.33Å; N45-N48 PolarHBondContact O-N 3.42Å; N45-N48 PolarHBondContact OD1-N 3.08Å; N45-N48 PolarHBondContact OD1-OD1 3.44Å; K46-N48 PolarHBondContact O-N 3.29Å; N48-Y50 VanDerWaalsContact C-N 3.34Å; N48-Y50 PolarHBondContact O-N 2.61Å; N48-T51 PolarHBondContact O-OG1 3.05Å
49	G	95.4	Very high	96.3	Very high	54 Å²	54	59 Å²	59	56%	0.557	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	19.7	167.2	0	0	0	0	0	115.6	N45 K46 T51	N45-G49 PolarHBondContact O-N 2.89Å; K46-G49 PolarHBondContact O-N 2.8Å; K46-G49 VanDerWaalsContact O-N 3.09Å; G49-T51 PolarHBondContact O-N 2.79Å; G49-T51 VanDerWaalsContact O-N 3.08Å
50	Y	96.4	Very high	96.2	Very high	96 Å²	96	58.7 Å²	58.7	38%	0.376	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	26.9	-177.9	-56.1	-64.3	0	0	0	114.5	N45 K46 N48 R66 N68	N45-Y50 PolarHBondContact O-N 3.03Å; N45-Y50 VanDerWaalsContact O-N 3.14Å; K46-Y50 HydrophobicContact CB-CE1 3.86Å; K46-Y50 HydrophobicContact CB-CE2 4.16Å; K46-Y50 WeakPolarHBondContact CB-OH 3.43Å; K46-Y50 HydrophobicContact CG-CE2 3.92Å; K46-Y50 WeakPolarHBondContact CG-OH 3.17Å; N48-Y50 VanDerWaalsContact C-N 3.34Å; N48-Y50 PolarHBondContact O-N 2.61Å; Y50-R66 HydrophobicContact CD1-CG 4.39Å; Y50-R66 HydrophobicContact CE1-CG 4.44Å; Y50-N68 PolarHBondContact OH-ND2 3.02Å
51	T	96.9	Very high	96.2	Very high	64 Å²	64	59.6 Å²	59.6	39%	0.393	35%	0.352	S	S	.	.			trans	-63.2	147.3	177.4	52.9	0	0	0	0	110.6	R44 N48 G49	R44-T51 VanDerWaalsContact CD-OG1 3.28Å; R44-T51 WeakPolarHBondContact CD-OG1 3.43Å; R44-T51 PolarHBondContact N-O 2.95Å; R44-T51 PolarHBondContact NH1-OG1 2.91Å; N48-T51 PolarHBondContact O-OG1 3.05Å; G49-T51 PolarHBondContact O-N 2.79Å; G49-T51 VanDerWaalsContact O-N 3.08Å
52	T	97.7	Very high	96.2	Very high	54 Å²	54	59.8 Å²	59.8	33%	0.331	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.9	-177.8	50.3	0	0	0	0	110.6	F42 I43 Y54	F42-T52 VanDerWaalsContact O-CA 3.3Å; F42-T52 WeakPolarHBondContact O-CA 3.46Å; I43-T52 HydrophobicContact CB-CG2 3.82Å; I43-T52 HydrophobicContact CD1-CG2 3.89Å; I43-T52 HydrophobicContact CG1-CG2 3.73Å; T52-Y54 VanDerWaalsContact OG1-CE2 3.31Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.47Å; T52-Y54 PolarHBondContact OG1-OH 2.85Å
53	E	97.1	Very high	96.3	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147	171.4	-70.8	179.8	-144.1	0	0	108.9	W39 G41 F42 R44	W39-E53 HydrophobicContact CH2-CB 4.23Å; G41-E53 CarbonylContact C-O 3.52Å; G41-E53 WeakPolarHBondContact CA-O 3.42Å; F42-E53 HydrophobicContact CE1-CB 3.92Å; F42-E53 HydrophobicContact CE1-CG 4.39Å; F42-E53 HydrophobicContact CE2-CB 4.27Å; F42-E53 HydrophobicContact CE2-CG 4.3Å; F42-E53 HydrophobicContact CZ-CB 3.78Å; F42-E53 VanDerWaalsContact CZ-CD 3.43Å; F42-E53 HydrophobicContact CZ-CG 3.81Å; F42-E53 WeakPolarHBondContact CZ-OE1 3.21Å; F42-E53 PolarHBondContact N-O 2Å; F42-E53 PolarHBondContact O-N 2.83Å; R44-E53 IonicContact CZ-OE1 3.28Å; R44-E53 VanDerWaalsContact CZ-OE1 3.28Å; R44-E53 IonicContact NH1-OE1 3.02Å; R44-E53 PolarHBondContact NH1-OE1 2.8Å; R44-E53 IonicContact NH2-OE1 2.67Å; R44-E53 PolarHBondContact NH2-OE1 3.26Å
54	Y	98	Very high	96.3	Very high	54 Å²	54	61.8 Å²	61.8	21%	0.212	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.4	-173.4	-60.4	-88	0	0	0	109.6	L40 T52 V58 F62 I64	L40-Y54 CarbonylContact O-C 3.59Å; L40-Y54 WeakPolarHBondContact O-CA 3.27Å; T52-Y54 VanDerWaalsContact OG1-CE2 3.31Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.47Å; T52-Y54 PolarHBondContact OG1-OH 2.85Å; Y54-V58 HydrophobicContact CD1-CG2 4.42Å; Y54-F62 VanDerWaalsContact CE1-O 3.29Å; Y54-F62 WeakPolarHBondContact CE1-O 3.38Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.35Å; Y54-I64 HydrophobicContact CE1-CD1 4Å; Y54-I64 HydrophobicContact CE1-CG1 3.84Å; Y54-I64 PolarHBondContact OH-N 2.99Å
55	S	97	Very high	96.4	Very high	17 Å²	17	61 Å²	61	12%	0.119	37%	0.37	C	S	.	.			trans	-66.7	156.6	168.7	74.9	0	0	0	0	110.6	W39 L40 S57 V58 K59	W39-S55 VanDerWaalsContact O-CB 3.3Å; W39-S55 WeakPolarHBondContact O-CB 3.34Å; W39-S55 PolarHBondContact O-OG 3.43Å; L40-S55 PolarHBondContact O-N 2.8Å; L40-S55 PolarHBondContact O-OG 2.57Å; S55-S57 PolarHBondContact O-N 3.46Å; S55-S57 VanDerWaalsContact O-N 3.16Å; S55-S57 PolarHBondContact OG-OG 2.85Å; S55-V58 PolarHBondContact O-N 2.86Å; S55-K59 WeakPolarHBondContact O-CB 3.18Å; S55-K59 PolarHBondContact O-N 3.28Å; S55-K59 VanDerWaalsContact O-N 3.08Å
56	A	96.4	Very high	96.5	Very high	102 Å²	102	61.5 Å²	61.5	84%	0.843	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	-179.5	0	0	0	0	0	113.1	V58	A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.4Å
57	S	93.9	Very high	96.6	Very high	41 Å²	41	56.5 Å²	56.5	29%	0.287	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.6	-176.9	58.4	0	0	0	0	113.8	E38 S55 R61	E38-S57 VanDerWaalsContact OE1-CB 3.31Å; E38-S57 WeakPolarHBondContact OE1-CB 3.3Å; E38-S57 PolarHBondContact OE1-OG 3.49Å; S55-S57 PolarHBondContact O-N 3.46Å; S55-S57 VanDerWaalsContact O-N 3.16Å; S55-S57 PolarHBondContact OG-OG 2.85Å; S57-R61 PolarHBondContact O-NH2 3.01Å
58	V	96.3	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-7.9	-175.4	-58	0	0	0	0	114.2	L40 Y54 S55 A56 G60 R61 F62	L40-V58 HydrophobicContact CB-CG2 4.25Å; L40-V58 HydrophobicContact CD2-CG1 3.67Å; L40-V58 HydrophobicContact CD2-CG2 4.46Å; L40-V58 VanDerWaalsContact O-CG2 3.27Å; L40-V58 WeakPolarHBondContact O-CG2 3.34Å; Y54-V58 HydrophobicContact CD1-CG2 4.42Å; S55-V58 PolarHBondContact O-N 2.86Å; A56-V58 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 3.4Å; V58-G60 PolarHBondContact O-N 3.01Å; V58-R61 PolarHBondContact O-N 3.3Å; V58-F62 HydrophobicContact CB-CB 4.03Å; V58-F62 HydrophobicContact CB-CD1 4.38Å; V58-F62 HydrophobicContact CB-CD2 3.58Å; V58-F62 HydrophobicContact CB-CE2 4.07Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.52Å; V58-F62 HydrophobicContact CG1-CE2 3.49Å; V58-F62 VanDerWaalsContact CG1-CE2 3.49Å; V58-F62 HydrophobicContact CG1-CG 4.14Å; V58-F62 HydrophobicContact CG1-CZ 4.08Å; V58-F62 HydrophobicContact CG2-CB 4.38Å; V58-F62 HydrophobicContact CG2-CD2 4.24Å; V58-F62 PolarHBondContact O-N 3.17Å
59	K	96	Very high	96.5	Very high	155 Å²	155	55.6 Å²	55.6	67%	0.674	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	129.9	179.8	-169	171.4	-173.9	175.1	0	111.3	S55 R61	S55-K59 WeakPolarHBondContact O-CB 3.18Å; S55-K59 PolarHBondContact O-N 3.28Å; S55-K59 VanDerWaalsContact O-N 3.08Å; K59-R61 PolarHBondContact O-N 2.99Å
60	G	96	Very high	96.5	Very high	81 Å²	81	58.4 Å²	58.4	84%	0.835	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-6.7	-178.9	0	0	0	0	0	115.2	V58	V58-G60 PolarHBondContact O-N 3.01Å
61	R	97	Very high	96.4	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.079	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-38.3	176.8	-59.1	-168.9	-57.6	118.2	-0.6	112.2	S57 V58 K59 N78 T79 D84	S57-R61 PolarHBondContact O-NH2 3.01Å; V58-R61 PolarHBondContact O-N 3.3Å; K59-R61 PolarHBondContact O-N 2.99Å; R61-N78 WeakPolarHBondContact O-CB 3.5Å; R61-N78 PolarHBondContact O-N 3.37Å; R61-T79 WeakPolarHBondContact CD-OG1 3.21Å; R61-T79 WeakPolarHBondContact CG-OG1 3.43Å; R61-T79 PolarHBondContact NH1-O 3.45Å; R61-D84 IonicContact CZ-OD1 3.78Å; R61-D84 IonicContact CZ-OD2 3.48Å; R61-D84 IonicContact NH1-OD1 3.73Å; R61-D84 IonicContact NH1-OD2 2.7Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.89Å; R61-D84 PolarHBondContact NH2-OD1 3.41Å; R61-D84 IonicContact NH2-OD2 3.35Å; R61-D84 PolarHBondContact NH2-OD2 2.96Å
62	F	97.6	Very high	96.4	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.1	-175.9	-65.4	9.7	0	0	0	110.8	L40 Y54 V58 L75 Q76 M77 L80 D84 Y88	L40-F62 HydrophobicContact CD1-CE2 4.45Å; Y54-F62 VanDerWaalsContact CE1-O 3.29Å; Y54-F62 WeakPolarHBondContact CE1-O 3.38Å; V58-F62 HydrophobicContact CB-CB 4.03Å; V58-F62 HydrophobicContact CB-CD1 4.38Å; V58-F62 HydrophobicContact CB-CD2 3.58Å; V58-F62 HydrophobicContact CB-CE2 4.07Å; V58-F62 HydrophobicContact CB-CG 3.75Å; V58-F62 HydrophobicContact CG1-CD2 3.52Å; V58-F62 HydrophobicContact CG1-CE2 3.49Å; V58-F62 VanDerWaalsContact CG1-CE2 3.49Å; V58-F62 HydrophobicContact CG1-CG 4.14Å; V58-F62 HydrophobicContact CG1-CZ 4.08Å; V58-F62 HydrophobicContact CG2-CB 4.38Å; V58-F62 HydrophobicContact CG2-CD2 4.24Å; V58-F62 PolarHBondContact O-N 3.17Å; F62-L75 HydrophobicContact CB-CD1 4.09Å; F62-L75 HydrophobicContact CD2-CD1 4.2Å; F62-L75 HydrophobicContact CD2-CD2 4.13Å; F62-L75 HydrophobicContact CD2-CG 4.36Å; F62-L75 HydrophobicContact CE2-CD2 4.49Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.42Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.12Å; F62-M77 HydrophobicContact CD2-CG 3.94Å; F62-M77 HydrophobicContact CD2-SD 4.3Å; F62-M77 HydrophobicContact CE1-CB 3.67Å; F62-M77 HydrophobicContact CE1-CG 4.08Å; F62-M77 HydrophobicContact CE2-CB 4.37Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 3.71Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.09Å; F62-M77 HydrophobicContact CZ-CB 3.97Å; F62-M77 HydrophobicContact CZ-CG 3.95Å; F62-M77 HydrophobicContact CZ-SD 3.85Å; F62-L80 HydrophobicContact CE1-CD2 4.12Å; F62-L80 HydrophobicContact CZ-CD2 3.99Å; F62-D84 HydrophobicContact CZ-CB 4.33Å; F62-Y88 HydrophobicContact CE2-CE1 4.22Å
63	T	98.2	Very high	96.4	Very high	69 Å²	69	51.3 Å²	51.3	42%	0.423	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.4	178.1	-52.5	0	0	0	0	109.7	Q76	T63-Q76 PolarHBondContact N-O 2.9Å; T63-Q76 PolarHBondContact O-N 3.06Å
64	I	98.3	Very high	96.5	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.5	174.4	-59.9	167.9	0	0	0	108.6	G41 I43 Y54 L73 Y74 L75	G41-I64 WeakPolarHBondContact O-CD1 3.5Å; I43-I64 HydrophobicContact CB-CG2 3.74Å; I43-I64 HydrophobicContact CG2-CG2 3.59Å; Y54-I64 HydrophobicContact CD1-CD1 4.37Å; Y54-I64 HydrophobicContact CE1-CB 4.35Å; Y54-I64 HydrophobicContact CE1-CD1 4Å; Y54-I64 HydrophobicContact CE1-CG1 3.84Å; Y54-I64 PolarHBondContact OH-N 2.99Å; I64-L73 HydrophobicContact CG2-CD1 3.88Å; I64-Y74 WeakPolarHBondContact CA-O 3.34Å; I64-L75 HydrophobicContact CD1-CD1 4.49Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å
65	S	97.9	Very high	96.5	Very high	42 Å²	42	46.4 Å²	46.4	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.4	172.7	53.2	0	0	0	0	110.3	Y74	S65-Y74 PolarHBondContact N-O 2.85Å; S65-Y74 PolarHBondContact O-N 3.09Å; S65-Y74 WeakPolarHBondContact OG-CB 3.25Å
66	R	97.1	Very high	96.6	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.5	-176.9	62.2	-172.9	-70.1	165.2	6.2	111.4	F21 Y24 I43 R44 Y50 N68 I72 L73	F21-R66 HydrophobicContact CE1-CB 4.04Å; F21-R66 HydrophobicContact CZ-CB 3.95Å; F21-R66 PolarHBondContact O-NH2 2.6Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; I43-R66 HydrophobicContact CD1-CG 3.88Å; I43-R66 HydrophobicContact CG1-CG 4.47Å; I43-R66 HydrophobicContact CG2-CB 4.42Å; I43-R66 HydrophobicContact CG2-CG 4.49Å; R44-R66 PolarHBondContact O-NH1 3.33Å; Y50-R66 HydrophobicContact CD1-CG 4.39Å; Y50-R66 HydrophobicContact CE1-CG 4.44Å; R66-N68 PolarHBondContact NE-OD1 3.37Å; R66-N68 PolarHBondContact NH2-OD1 3.14Å; R66-I72 CarbonylContact C-O 3.55Å; R66-I72 WeakPolarHBondContact CA-O 3.47Å; R66-L73 HydrophobicContact CB-CD1 4.2Å
67	D	95.9	Very high	96.6	Very high	45 Å²	45	43.3 Å²	43.3	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.1	168.2	-176	-17.2	0	0	0	108.9	S69 Q70 S71 I72 Y74	D67-S69 WeakPolarHBondContact OD1-CB 2.96Å; D67-S69 PolarHBondContact OD1-N 3.38Å; D67-S69 PolarHBondContact OD1-OG 2.67Å; D67-Q70 HydrophobicContact CB-CB 4.43Å; D67-Q70 PolarHBondContact OD1-N 2.88Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.29Å; D67-Q70 PolarHBondContact OD2-OE1 3.49Å; D67-S71 WeakPolarHBondContact O-CA 3.42Å; D67-S71 PolarHBondContact O-N 3.4Å; D67-I72 PolarHBondContact N-O 2.82Å; D67-I72 PolarHBondContact O-N 2.88Å; D67-Y74 HydrophobicContact CB-CE2 3.87Å
68	N	94.6	Very high	96.6	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.203	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.4	-178.4	-75.4	-9.9	0	0	0	113.2	F21 T22 Y50 R66 Q70	F21-N68 WeakPolarHBondContact CD1-OD1 3.49Å; F21-N68 VanDerWaalsContact CE1-OD1 3.26Å; F21-N68 WeakPolarHBondContact CE1-OD1 3.35Å; T22-N68 HydrophobicContact CG2-CB 3.79Å; Y50-N68 PolarHBondContact OH-ND2 3.02Å; R66-N68 PolarHBondContact NE-OD1 3.37Å; R66-N68 PolarHBondContact NH2-OD1 3.14Å; N68-Q70 VanDerWaalsContact C-N 3.27Å
69	S	93.6	Very high	96.5	Very high	106 Å²	106	47.3 Å²	47.3	74%	0.741	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.6	178.4	70.9	0	0	0	0	111.7	D67	D67-S69 WeakPolarHBondContact OD1-CB 2.96Å; D67-S69 PolarHBondContact OD1-N 3.38Å; D67-S69 PolarHBondContact OD1-OG 2.67Å
70	Q	94.9	Very high	96.5	Very high	112 Å²	112	40 Å²	40	52%	0.523	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-6.1	-179.5	-59.3	-175.4	-14	0	0	113.1	D67 N68 I72	D67-Q70 HydrophobicContact CB-CB 4.43Å; D67-Q70 PolarHBondContact OD1-N 2.88Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.29Å; D67-Q70 PolarHBondContact OD2-OE1 3.49Å; N68-Q70 VanDerWaalsContact C-N 3.27Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.76Å; Q70-I72 WeakPolarHBondContact O-CG1 3.02Å; Q70-I72 PolarHBondContact O-N 2.79Å
71	S	95.1	Very high	96.4	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	41.6	-171.7	-57.3	0	0	0	0	113.2	T16 D67	T16-S71 PolarHBondContact N-O 2.98Å; T16-S71 PolarHBondContact OG1-O 2.78Å; D67-S71 WeakPolarHBondContact O-CA 3.42Å; D67-S71 PolarHBondContact O-N 3.4Å
72	I	96.9	Very high	96.2	Very high	28 Å²	28	44.5 Å²	44.5	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.3	-177.5	-57.4	-179.1	0	0	0	111	C14 A15 R66 D67 Q70 Y74	C14-I72 CarbonylContact O-C 3.53Å; C14-I72 WeakPolarHBondContact O-CA 3.28Å; A15-I72 HydrophobicContact CB-CG1 4.25Å; R66-I72 CarbonylContact C-O 3.55Å; R66-I72 WeakPolarHBondContact CA-O 3.47Å; D67-I72 PolarHBondContact N-O 2.82Å; D67-I72 PolarHBondContact O-N 2.88Å; Q70-I72 VanDerWaalsContact C-N 3.27Å; Q70-I72 HydrophobicContact CB-CB 4.43Å; Q70-I72 HydrophobicContact CB-CD1 3.78Å; Q70-I72 HydrophobicContact CB-CG1 3.76Å; Q70-I72 WeakPolarHBondContact O-CG1 3.02Å; Q70-I72 PolarHBondContact O-N 2.79Å; I72-Y74 HydrophobicContact CB-CE2 4.06Å; I72-Y74 HydrophobicContact CG2-CD1 4.07Å; I72-Y74 HydrophobicContact CG2-CD2 4.22Å; I72-Y74 HydrophobicContact CG2-CE1 3.56Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.37Å
73	L	97.6	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.7	167.4	-171.9	70.5	0	0	0	110	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.59Å; S13-L73 WeakPolarHBondContact CA-O 3.33Å; C14-L73 HydrophobicContact CB-CB 4.4Å; C14-L73 PolarHBondContact N-O 3.06Å; C14-L73 PolarHBondContact O-N 3.23Å; F21-L73 HydrophobicContact CE2-CB 4.36Å; F21-L73 HydrophobicContact CZ-CB 4.34Å; M26-L73 HydrophobicContact CB-CD1 3.61Å; M26-L73 HydrophobicContact CB-CD2 3.79Å; M26-L73 HydrophobicContact CB-CG 4.24Å; M26-L73 HydrophobicContact CG-CD1 4.38Å; W28-L73 HydrophobicContact CD2-CD2 4.33Å; W28-L73 HydrophobicContact CG-CD2 4.31Å; W28-L73 HydrophobicContact CZ2-CD2 4.23Å; W28-L73 HydrophobicContact CZ2-CG 4.31Å; I43-L73 HydrophobicContact CG2-CD1 3.54Å; I64-L73 HydrophobicContact CG2-CD1 3.88Å; R66-L73 HydrophobicContact CB-CD1 4.2Å; L73-C90 HydrophobicContact CD2-CB 3.9Å
74	Y	98	Very high	95.8	Very high	38 Å²	38	48.4 Å²	48.4	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.3	178.2	-60.8	-78.3	0	0	0	111.6	R11 L12 W28 I64 S65 D67 I72	R11-Y74 HydrophobicContact CG-CD1 4.47Å; R11-Y74 VanDerWaalsContact NH2-CD2 3.35Å; R11-Y74 VanDerWaalsContact NH2-CG 3.28Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.26Å; W28-Y74 PolarHBondContact NE1-O 2.89Å; I64-Y74 WeakPolarHBondContact CA-O 3.34Å; S65-Y74 PolarHBondContact N-O 2.85Å; S65-Y74 PolarHBondContact O-N 3.09Å; S65-Y74 WeakPolarHBondContact OG-CB 3.25Å; D67-Y74 HydrophobicContact CB-CE2 3.87Å; I72-Y74 HydrophobicContact CB-CE2 4.06Å; I72-Y74 HydrophobicContact CG2-CD1 4.07Å; I72-Y74 HydrophobicContact CG2-CD2 4.22Å; I72-Y74 HydrophobicContact CG2-CE1 3.56Å; I72-Y74 HydrophobicContact CG2-CE2 3.73Å; I72-Y74 HydrophobicContact CG2-CG 4.37Å
75	L	98.3	Very high	95.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	106.3	167.2	-174.6	69	0	0	0	108.5	R11 L12 W28 L40 F62 I64 M77 Y88	R11-L75 WeakPolarHBondContact CA-O 3.46Å; L12-L75 HydrophobicContact CB-CB 4.28Å; L12-L75 HydrophobicContact CD1-CD2 4.39Å; L12-L75 PolarHBondContact N-O 2.78Å; L12-L75 PolarHBondContact O-N 2.85Å; W28-L75 HydrophobicContact CB-CD2 4.41Å; W28-L75 HydrophobicContact CD2-CB 3.89Å; W28-L75 HydrophobicContact CD2-CD2 4.05Å; W28-L75 HydrophobicContact CD2-CG 4.46Å; W28-L75 HydrophobicContact CE3-CD2 4.29Å; W28-L75 HydrophobicContact CG-CB 4.17Å; W28-L75 HydrophobicContact CG-CD1 4.18Å; W28-L75 HydrophobicContact CG-CD2 4.1Å; W28-L75 HydrophobicContact CG-CG 4.4Å; W28-L75 HydrophobicContact CZ2-CB 3.9Å; L40-L75 HydrophobicContact CD1-CD2 4.33Å; F62-L75 HydrophobicContact CB-CD1 4.09Å; F62-L75 HydrophobicContact CD2-CD1 4.2Å; F62-L75 HydrophobicContact CD2-CD2 4.13Å; F62-L75 HydrophobicContact CD2-CG 4.36Å; F62-L75 HydrophobicContact CE2-CD2 4.49Å; I64-L75 HydrophobicContact CD1-CD1 4.49Å; I64-L75 HydrophobicContact CG1-CD1 3.6Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 3.77Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.37Å; L75-Y88 HydrophobicContact CD2-CD1 3.93Å; L75-Y88 HydrophobicContact CD2-CE1 4.14Å
76	Q	98	Very high	95.7	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.7	168.2	-179.6	63.6	34.8	0	0	107.8	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 WeakPolarHBondContact CA-O 3.42Å; T63-Q76 PolarHBondContact N-O 2.9Å; T63-Q76 PolarHBondContact O-N 3.06Å; Q76-N78 PolarHBondContact NE2-OD1 3.04Å
77	M	97	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.1	178.7	-54.2	-170	-51.6	0	0	108.4	S9 L10 L12 F62 L75 L80 Y88 V106	S9-M77 CarbonylContact C-O 3.52Å; S9-M77 WeakPolarHBondContact CA-O 3.46Å; S9-M77 WeakPolarHBondContact CB-O 3.38Å; L10-M77 HydrophobicContact CB-CE 3.96Å; L10-M77 HydrophobicContact CD2-CE 3.85Å; L10-M77 HydrophobicContact CG-CE 4.26Å; L10-M77 PolarHBondContact N-O 2.79Å; L10-M77 PolarHBondContact O-N 2.84Å; L12-M77 HydrophobicContact CD1-CE 4.23Å; L12-M77 HydrophobicContact CD1-SD 4.18Å; L12-M77 HydrophobicContact CG-CE 4.22Å; F62-M77 HydrophobicContact CD1-CB 3.81Å; F62-M77 HydrophobicContact CD1-CG 4.12Å; F62-M77 HydrophobicContact CD2-CG 3.94Å; F62-M77 HydrophobicContact CD2-SD 4.3Å; F62-M77 HydrophobicContact CE1-CB 3.67Å; F62-M77 HydrophobicContact CE1-CG 4.08Å; F62-M77 HydrophobicContact CE2-CB 4.37Å; F62-M77 HydrophobicContact CE2-CG 3.86Å; F62-M77 HydrophobicContact CE2-SD 3.71Å; F62-M77 HydrophobicContact CG-CB 4.27Å; F62-M77 HydrophobicContact CG-CG 4.09Å; F62-M77 HydrophobicContact CZ-CB 3.97Å; F62-M77 HydrophobicContact CZ-CG 3.95Å; F62-M77 HydrophobicContact CZ-SD 3.85Å; L75-M77 HydrophobicContact CD2-CG 3.8Å; L75-M77 HydrophobicContact CD2-SD 3.77Å; L75-M77 HydrophobicContact CG-CG 3.74Å; L75-M77 HydrophobicContact CG-SD 4.37Å; M77-L80 HydrophobicContact CB-CD1 4.41Å; M77-L80 HydrophobicContact CB-CD2 3.93Å; M77-L80 HydrophobicContact CB-CG 4.18Å; M77-L80 HydrophobicContact CE-CD1 4.04Å; M77-L80 HydrophobicContact CE-CD2 3.79Å; M77-L80 HydrophobicContact CE-CG 4.46Å; M77-L80 HydrophobicContact SD-CD2 4.23Å; M77-Y88 HydrophobicContact SD-CD1 4.26Å; M77-Y88 HydrophobicContact SD-CE1 3.69Å; M77-V106 HydrophobicContact CE-CG1 4.08Å; M77-V106 HydrophobicContact CE-CG2 4.18Å
78	N	95.3	Very high	95.9	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	25%	0.249	S	C	.	.			trans	-107.8	156	176.2	-55.2	-51.7	0	0	0	110.4	S9 R61 Q76 L80	S9-N78 WeakPolarHBondContact OG-CA 3.4Å; S9-N78 PolarHBondContact OG-OD1 2.78Å; S9-N78 VanDerWaalsContact OG-OD1 3.1Å; R61-N78 WeakPolarHBondContact O-CB 3.5Å; R61-N78 PolarHBondContact O-N 3.37Å; Q76-N78 PolarHBondContact NE2-OD1 3.04Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 2.92Å
79	T	93.8	Very high	96	Very high	73 Å²	73	46.1 Å²	46.1	45%	0.448	25%	0.248	S	C	.	.	S	Bend	trans	52.7	52.2	176.9	60.9	0	0	0	0	111.9	G8 R61	G8-T79 PolarHBondContact O-N 3.2Å; R61-T79 WeakPolarHBondContact CD-OG1 3.21Å; R61-T79 WeakPolarHBondContact CG-OG1 3.43Å; R61-T79 PolarHBondContact NH1-O 3.45Å
80	L	94.5	Very high	96.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.215	C	C	.	.			trans	-62.7	141	-178.3	-81.4	165.6	0	0	0	111.8	V4 G7 G8 L10 F62 M77 N78 D84 V108	V4-L80 HydrophobicContact CB-CD1 4.15Å; V4-L80 HydrophobicContact CG1-CD1 4Å; V4-L80 HydrophobicContact CG2-CD1 4.23Å; G7-L80 PolarHBondContact N-O 2.93Å; G8-L80 WeakPolarHBondContact O-CB 3.42Å; G8-L80 PolarHBondContact O-N 2.81Å; L10-L80 HydrophobicContact CB-CD1 3.92Å; F62-L80 HydrophobicContact CE1-CD2 4.12Å; F62-L80 HydrophobicContact CZ-CD2 3.99Å; M77-L80 HydrophobicContact CB-CD1 4.41Å; M77-L80 HydrophobicContact CB-CD2 3.93Å; M77-L80 HydrophobicContact CB-CG 4.18Å; M77-L80 HydrophobicContact CE-CD1 4.04Å; M77-L80 HydrophobicContact CE-CD2 3.79Å; M77-L80 HydrophobicContact CE-CG 4.46Å; M77-L80 HydrophobicContact SD-CD2 4.23Å; N78-L80 VanDerWaalsContact C-N 3.34Å; N78-L80 PolarHBondContact O-N 2.92Å; L80-D84 HydrophobicContact CD2-CB 3.66Å; L80-V108 HydrophobicContact CB-CG1 4.38Å; L80-V108 HydrophobicContact CB-CG2 4.06Å; L80-V108 HydrophobicContact CD1-CG2 4.43Å; L80-V108 HydrophobicContact CD2-CG2 4.31Å
81	R	94.3	Very high	96.1	Very high	131 Å²	131	36.1 Å²	36.1	49%	0.494	19%	0.19	S	C	.	.			trans	-115.5	159.4	178.3	-58.5	175.6	-176.8	176.6	-0.9	109.3	E83 D84 V108	R81-E83 PolarHBondContact O-N 3.49Å; R81-E83 VanDerWaalsContact O-N 3.16Å; R81-D84 PolarHBondContact N-OD2 3.26Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 2.9Å; R81-V108 WeakPolarHBondContact O-CB 3.37Å
82	A	92.8	Very high	96	Very high	65 Å²	65	36.1 Å²	36.1	54%	0.537	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.7	-37	174.9	0	0	0	0	0	112	D84 S85	A82-D84 PolarHBondContact O-N 3.1Å; A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.47Å; A82-S85 PolarHBondContact O-N 3Å; A82-S85 PolarHBondContact O-OG 2.89Å
83	E	92.7	Very high	95.4	Very high	152 Å²	152	36.1 Å²	36.1	71%	0.71	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-63.3	-18.5	176.2	-63.5	167.5	-134	0	0	114.3	R81 S85	R81-E83 PolarHBondContact O-N 3.49Å; R81-E83 VanDerWaalsContact O-N 3.16Å; E83-S85 PolarHBondContact O-N 2.98Å
84	D	95.7	Very high	94.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-81.6	0.5	175.2	-59.8	-47.9	0	0	0	112.2	R30 R61 F62 L80 R81 A82 A86 Y88	R30-D84 IonicContact NH1-OD1 3.25Å; R30-D84 PolarHBondContact NH1-OD1 3.08Å; R61-D84 IonicContact CZ-OD1 3.78Å; R61-D84 IonicContact CZ-OD2 3.48Å; R61-D84 IonicContact NH1-OD1 3.73Å; R61-D84 IonicContact NH1-OD2 2.7Å; R61-D84 PolarHBondContact NH1-OD2 3Å; R61-D84 IonicContact NH2-OD1 2.89Å; R61-D84 PolarHBondContact NH2-OD1 3.41Å; R61-D84 IonicContact NH2-OD2 3.35Å; R61-D84 PolarHBondContact NH2-OD2 2.96Å; F62-D84 HydrophobicContact CZ-CB 4.33Å; L80-D84 HydrophobicContact CD2-CB 3.66Å; R81-D84 PolarHBondContact N-OD2 3.26Å; R81-D84 WeakPolarHBondContact O-CB 3.15Å; R81-D84 PolarHBondContact O-N 2.9Å; A82-D84 PolarHBondContact O-N 3.1Å; D84-A86 PolarHBondContact O-N 3.01Å; D84-Y88 VanDerWaalsContact O-CE2 3.31Å; D84-Y88 WeakPolarHBondContact O-CE2 3.31Å; D84-Y88 PolarHBondContact O-OH 3.01Å
85	S	96.6	Very high	92.9	Very high	27 Å²	27	48.7 Å²	48.7	19%	0.189	24%	0.239	C	C	.	.			trans	-68.1	114.1	173.6	-57	0	0	0	0	110.7	A82 E83 V106 V108	A82-S85 VanDerWaalsContact O-CB 3.28Å; A82-S85 WeakPolarHBondContact O-CB 3.47Å; A82-S85 PolarHBondContact O-N 3Å; A82-S85 PolarHBondContact O-OG 2.89Å; E83-S85 PolarHBondContact O-N 2.98Å; S85-V106 CarbonylContact C-O 3.59Å; S85-V106 VanDerWaalsContact CA-O 3.3Å; S85-V106 WeakPolarHBondContact CA-O 3.42Å; S85-V108 PolarHBondContact OG-N 3.02Å
86	A	97.4	Very high	91.6	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	169.3	-174.2	0	0	0	0	0	111.2	R30 Q31 P32 D84 Y88 V106	R30-A86 HydrophobicContact CB-CB 3.88Å; R30-A86 HydrophobicContact CG-CB 4.31Å; Q31-A86 WeakPolarHBondContact O-CA 3.3Å; Q31-A86 WeakPolarHBondContact O-CB 3.45Å; P32-A86 HydrophobicContact CG-CB 4.47Å; D84-A86 PolarHBondContact O-N 3.01Å; A86-Y88 HydrophobicContact CB-CD2 4.31Å; A86-Y88 HydrophobicContact CB-CE2 3.82Å; A86-Y88 WeakPolarHBondContact O-CD2 3.48Å; A86-V106 PolarHBondContact N-O 3.02Å; A86-V106 VanDerWaalsContact N-O 3.08Å; A86-V106 PolarHBondContact O-N 3.17Å
87	T	98.1	Very high	90.9	Very high	40 Å²	40	51.8 Å²	51.8	25%	0.245	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.4	161.2	-53.7	0	0	0	0	109.2	R30 Q31 Y89 T104	R30-T87 CarbonylContact C-O 3.58Å; R30-T87 VanDerWaalsContact CA-O 3.25Å; R30-T87 WeakPolarHBondContact CA-O 3.3Å; Q31-T87 PolarHBondContact N-O 3.22Å; Q31-T87 PolarHBondContact O-N 3.02Å; T87-Y89 HydrophobicContact CG2-CD2 4.5Å; T87-Y89 HydrophobicContact CG2-CE1 3.82Å; T87-Y89 HydrophobicContact CG2-CE2 3.75Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.42Å; T87-Y89 WeakPolarHBondContact O-CE2 3.1Å; T87-T104 WeakPolarHBondContact CA-O 3.28Å
88	Y	97.9	Very high	90.4	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.7	-177.6	-72.9	-101.7	0	0	0	110.6	L12 V29 R30 L40 F62 L75 M77 D84 A86 G103 T104 V106	L12-Y88 HydrophobicContact CD1-CD1 3.99Å; L12-Y88 HydrophobicContact CD1-CD2 4.2Å; L12-Y88 HydrophobicContact CD1-CG 3.66Å; V29-Y88 CarbonylContact O-C 3.52Å; R30-Y88 HydrophobicContact CB-CD1 3.98Å; R30-Y88 HydrophobicContact CB-CE1 3.96Å; R30-Y88 HydrophobicContact CB-CG 4.31Å; L40-Y88 HydrophobicContact CD1-CD1 3.79Å; L40-Y88 HydrophobicContact CD1-CE1 3.52Å; F62-Y88 HydrophobicContact CE2-CE1 4.22Å; L75-Y88 HydrophobicContact CD2-CD1 3.93Å; L75-Y88 HydrophobicContact CD2-CE1 4.14Å; M77-Y88 HydrophobicContact SD-CD1 4.26Å; M77-Y88 HydrophobicContact SD-CE1 3.69Å; D84-Y88 VanDerWaalsContact O-CE2 3.31Å; D84-Y88 WeakPolarHBondContact O-CE2 3.31Å; D84-Y88 PolarHBondContact O-OH 3.01Å; A86-Y88 HydrophobicContact CB-CD2 4.31Å; A86-Y88 HydrophobicContact CB-CE2 3.82Å; A86-Y88 WeakPolarHBondContact O-CD2 3.48Å; Y88-G103 CarbonylContact O-C 3.48Å; Y88-G103 WeakPolarHBondContact O-CA 3.47Å; Y88-T104 PolarHBondContact N-O 2.68Å; Y88-T104 PolarHBondContact O-N 3.4Å; Y88-V106 HydrophobicContact CD2-CB 3.97Å; Y88-V106 HydrophobicContact CD2-CG2 3.75Å; Y88-V106 HydrophobicContact CE2-CB 3.81Å; Y88-V106 HydrophobicContact CE2-CG2 4.01Å
89	Y	97.1	Very high	90.1	Very high	43 Å²	43	58 Å²	58	17%	0.169	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.5	-179.4	-52	-90.2	0	0	0	109.3	W28 V29 Q31 L37 T87 W100	W28-Y89 WeakPolarHBondContact CA-O 3.36Å; W28-Y89 VanDerWaalsContact CE3-O 3.3Å; V29-Y89 PolarHBondContact N-O 2.85Å; V29-Y89 PolarHBondContact O-N 2.82Å; Q31-Y89 HydrophobicContact CB-CE2 3.82Å; Q31-Y89 PolarHBondContact OE1-OH 2.92Å; L37-Y89 HydrophobicContact CD2-CD2 4.07Å; L37-Y89 HydrophobicContact CD2-CE2 4Å; T87-Y89 HydrophobicContact CG2-CD2 4.5Å; T87-Y89 HydrophobicContact CG2-CE1 3.82Å; T87-Y89 HydrophobicContact CG2-CE2 3.75Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.42Å; T87-Y89 WeakPolarHBondContact O-CE2 3.1Å; Y89-W100 HydrophobicContact CG-CE3 4.24Å; Y89-W100 HydrophobicContact CG-CZ3 4.47Å
90	C	95.9	Very high	90.1	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.8	159.3	52	0	0	0	0	108.5	C14 S27 W28 L73 G101	C14-C90 HydrophobicContact CB-CB 3.44Å; C14-C90 VanDerWaalsContact CB-CB 3.44Å; C14-C90 WeakPolarHBondContact CB-SG 3.2Å; C14-C90 WeakPolarHBondContact SG-CB 3.31Å; C14-C90 CovalentContact SG-SG 2Å; C14-C90 PolarHBondContact SG-SG 2.99Å; S27-C90 CarbonylContact O-C 3.48Å; S27-C90 WeakPolarHBondContact O-CA 3.43Å; W28-C90 HydrophobicContact CE3-CB 4.49Å; W28-C90 HydrophobicContact CH2-CB 4.37Å; W28-C90 HydrophobicContact CZ2-CB 4.5Å; W28-C90 HydrophobicContact CZ3-CB 4.36Å; L73-C90 HydrophobicContact CD2-CB 3.9Å; C90-G101 PolarHBondContact O-N 3.4Å
91	A	95.2	Very high	89.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.3	173.6	0	0	0	0	0	110.2	M26 S27 M97 Y99 W100	M26-A91 WeakPolarHBondContact CA-O 3.32Å; M26-A91 WeakPolarHBondContact CE-O 3.4Å; S27-A91 PolarHBondContact N-O 3.03Å; S27-A91 PolarHBondContact O-N 2.77Å; A91-M97 HydrophobicContact CB-CG 4.43Å; A91-Y99 CarbonylContact C-O 3.46Å; A91-Y99 WeakPolarHBondContact CA-O 3.33Å; A91-W100 HydrophobicContact CB-CD2 4.06Å; A91-W100 HydrophobicContact CB-CE3 4.21Å; A91-W100 HydrophobicContact CB-CZ2 4.44Å; A91-W100 HydrophobicContact CB-CZ3 4.48Å
92	R	93.9	Very high	89.8	Confident	37 Å²	37	62.4 Å²	62.4	14%	0.14	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.8	163.5	-175.5	175.5	75.8	158	2.7	108.1	F19 Y24 M26 M97 D98 Y99	F19-R92 HydrophobicContact CE2-CG 4.36Å; F19-R92 HydrophobicContact CZ-CB 4.41Å; Y24-R92 HydrophobicContact CD1-CG 4.03Å; Y24-R92 HydrophobicContact CG-CG 3.87Å; Y24-R92 VanDerWaalsContact CZ-NH1 3.26Å; Y24-R92 PolarHBondContact OH-NH1 2.84Å; M26-R92 HydrophobicContact SD-CB 4.44Å; R92-M97 WeakPolarHBondContact O-CA 3.48Å; R92-D98 IonicContact CZ-OD1 3.25Å; R92-D98 VanDerWaalsContact CZ-OD1 3.25Å; R92-D98 IonicContact CZ-OD2 3.75Å; R92-D98 IonicContact NE-OD1 2.95Å; R92-D98 PolarHBondContact NE-OD1 3.44Å; R92-D98 IonicContact NH2-OD1 2.79Å; R92-D98 PolarHBondContact NH2-OD1 3.08Å; R92-D98 IonicContact NH2-OD2 2.61Å; R92-D98 PolarHBondContact NH2-OD2 3.14Å; R92-Y99 PolarHBondContact N-O 3.32Å
93	D	83.1	Confident	89.8	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.15	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	101.5	-177.6	-160	-1.8	0	0	0	108.5	Y25 S27	Y25-D93 CarbonylContact C-O 3.6Å; Y25-D93 WeakPolarHBondContact CA-O 3.26Å; Y25-D93 WeakPolarHBondContact CB-O 3.44Å; Y25-D93 PolarHBondContact N-O 3.07Å; Y25-D93 PolarHBondContact O-N 3.4Å; S27-D93 PolarHBondContact OG-OD2 3.25Å
94	D	73.4	Confident	90	Very high	73 Å²	73	55.8 Å²	55.8	39%	0.39	28%	0.282	S	S	.	.	S	Bend	trans	-136.8	-146.6	174.9	-165.9	8.9	0	0	0	107.6	Y24 A96	Y24-D94 HydrophobicContact CD1-CB 3.91Å; Y24-D94 HydrophobicContact CE1-CB 4.4Å; Y24-D94 WeakPolarHBondContact CE1-OD2 3.42Å; D94-A96 PolarHBondContact O-N 3.32Å
95	Y	69	Low	90	Very high	229 Å²	229	58.7 Å²	58.7	90%	0.898	30%	0.302	S	S	*	.	S	Bend	trans	-51.8	-15.3	169.8	-56.7	-81	0	0	0	114.5
96	A	72.6	Confident	90	Very high	56 Å²	56	57.4 Å²	57.4	46%	0.463	29%	0.294	S	S	.	.	S	Bend	trans	-153.8	157.9	169.3	0	0	0	0	0	112.8	D94 D98	D94-A96 PolarHBondContact O-N 3.32Å; A96-D98 HydrophobicContact CB-CB 4.48Å; A96-D98 PolarHBondContact O-N 3.08Å
97	M	82.9	Confident	89.8	Confident	66 Å²	66	60.3 Å²	60.3	33%	0.325	31%	0.311	S	S	.	.			trans	-88.7	74.1	166.4	-70.8	-177.9	-176.7	0	0	110.5	V29 A91 R92 W100	V29-M97 HydrophobicContact CG2-SD 4.24Å; A91-M97 HydrophobicContact CB-CG 4.43Å; R92-M97 WeakPolarHBondContact O-CA 3.48Å; M97-W100 HydrophobicContact CB-CZ2 3.86Å; M97-W100 PolarHBondContact O-NE1 2.98Å; M97-W100 HydrophobicContact SD-CH2 4.21Å; M97-W100 HydrophobicContact SD-CZ2 3.96Å
98	D	85.6	Confident	89.5	Confident	98 Å²	98	58.8 Å²	58.8	52%	0.524	30%	0.301	S	S	.	.			trans	-100	-15.1	-173	61.7	-11	0	0	0	114.3	R92 A96	R92-D98 IonicContact CZ-OD1 3.25Å; R92-D98 VanDerWaalsContact CZ-OD1 3.25Å; R92-D98 IonicContact CZ-OD2 3.75Å; R92-D98 IonicContact NE-OD1 2.95Å; R92-D98 PolarHBondContact NE-OD1 3.44Å; R92-D98 IonicContact NH2-OD1 2.79Å; R92-D98 PolarHBondContact NH2-OD1 3.08Å; R92-D98 IonicContact NH2-OD2 2.61Å; R92-D98 PolarHBondContact NH2-OD2 3.14Å; A96-D98 HydrophobicContact CB-CB 4.48Å; A96-D98 PolarHBondContact O-N 3.08Å
99	Y	89.8	Confident	88.9	Confident	83 Å²	83	61.1 Å²	61.1	33%	0.325	32%	0.318	S	S	.	.			trans	-115.6	123.4	174.2	-171	-83.4	0	0	0	111.2	S17 F19 A91 R92	S17-Y99 PolarHBondContact O-OH 3.47Å; F19-Y99 HydrophobicContact CD1-CD1 4.31Å; F19-Y99 HydrophobicContact CD1-CD2 4.28Å; F19-Y99 HydrophobicContact CD1-CE1 4.46Å; F19-Y99 HydrophobicContact CD1-CE2 4.41Å; F19-Y99 HydrophobicContact CD1-CG 4.23Å; F19-Y99 AromaticContact CE1-CD1 3.55Å; F19-Y99 HydrophobicContact CE1-CD1 3.55Å; F19-Y99 HydrophobicContact CE1-CD2 4.31Å; F19-Y99 AromaticContact CE1-CE1 3.7Å; F19-Y99 HydrophobicContact CE1-CE1 3.7Å; F19-Y99 HydrophobicContact CE1-CE2 4.42Å; F19-Y99 AromaticContact CE1-CG 3.89Å; F19-Y99 HydrophobicContact CE1-CG 3.89Å; F19-Y99 HydrophobicContact CZ-CD1 4.34Å; A91-Y99 CarbonylContact C-O 3.46Å; A91-Y99 WeakPolarHBondContact CA-O 3.33Å; R92-Y99 PolarHBondContact N-O 3.32Å
100	W	93	Very high	87.4	Confident	88 Å²	88	66.2 Å²	66.2	33%	0.333	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-124.2	140.3	-177.1	-67.7	73.3	0	0	0	111.5	V29 L37 Y89 A91 M97	V29-W100 HydrophobicContact CB-CH2 4.07Å; V29-W100 HydrophobicContact CB-CZ3 3.75Å; V29-W100 HydrophobicContact CG1-CH2 3.93Å; V29-W100 HydrophobicContact CG1-CZ3 3.84Å; V29-W100 HydrophobicContact CG2-CH2 3.82Å; V29-W100 HydrophobicContact CG2-CZ3 3.9Å; L37-W100 HydrophobicContact CD1-CH2 4.06Å; L37-W100 HydrophobicContact CD1-CZ3 4.32Å; L37-W100 HydrophobicContact CD2-CZ3 4.3Å; Y89-W100 HydrophobicContact CG-CE3 4.24Å; Y89-W100 HydrophobicContact CG-CZ3 4.47Å; A91-W100 HydrophobicContact CB-CD2 4.06Å; A91-W100 HydrophobicContact CB-CE3 4.21Å; A91-W100 HydrophobicContact CB-CZ2 4.44Å; A91-W100 HydrophobicContact CB-CZ3 4.48Å; M97-W100 HydrophobicContact CB-CZ2 3.86Å; M97-W100 PolarHBondContact O-NE1 2.98Å; M97-W100 HydrophobicContact SD-CH2 4.21Å; M97-W100 HydrophobicContact SD-CZ2 3.96Å
101	G	91.9	Very high	86.9	Confident	18 Å²	18	69.2 Å²	69.2	19%	0.186	38%	0.376	C	S	.	.			trans	-70.7	162	166.9	0	0	0	0	0	111.9	C90 G103	C90-G101 PolarHBondContact O-N 3.4Å; G101-G103 PolarHBondContact O-N 3.28Å
102	Q	91.4	Very high	86.5	Confident	193 Å²	193	72.8 Å²	72.8	90%	0.902	40%	0.395	S	S	*	.			trans	-63.4	-13	-179.7	-66.7	-64.8	-42.5	0	0	114.3
103	G	93.6	Very high	86.1	Confident	26 Å²	26	74.8 Å²	74.8	27%	0.268	41%	0.41	S	S	.	.			trans	87	152.8	-176.8	0	0	0	0	0	112.9	Y88 G101	Y88-G103 CarbonylContact O-C 3.48Å; Y88-G103 WeakPolarHBondContact O-CA 3.47Å; G101-G103 PolarHBondContact O-N 3.28Å
104	T	95.6	Very high	86.3	Confident	51 Å²	51	77.5 Å²	77.5	31%	0.313	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.6	170	-109	0	0	0	0	109.7	L12 T87 Y88 V106	L12-T104 HydrophobicContact CD1-CG2 4.43Å; L12-T104 HydrophobicContact CD2-CG2 3.83Å; T87-T104 WeakPolarHBondContact CA-O 3.28Å; Y88-T104 PolarHBondContact N-O 2.68Å; Y88-T104 PolarHBondContact O-N 3.4Å; T104-V106 HydrophobicContact CG2-CG2 4.16Å
105	S	95.8	Very high	87.1	Confident	64 Å²	64	77.8 Å²	77.8	45%	0.448	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.8	174.9	-175.2	0	0	0	0	110.9	G1 G2	G1-S105 CarbonylContact C-O 3.56Å; G1-S105 WeakPolarHBondContact CA-O 3.46Å; G2-S105 PolarHBondContact N-O 2.85Å
106	V	95.9	Very high	88.3	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.8	170.5	178.4	0	0	0	0	107.9	L10 L12 M77 S85 A86 Y88 T104 V108	L10-V106 HydrophobicContact CD2-CG1 3.93Å; L10-V106 HydrophobicContact CD2-CG2 3.84Å; L12-V106 HydrophobicContact CD1-CG2 4.11Å; L12-V106 HydrophobicContact CD2-CG2 3.9Å; M77-V106 HydrophobicContact CE-CG1 4.08Å; M77-V106 HydrophobicContact CE-CG2 4.18Å; S85-V106 CarbonylContact C-O 3.59Å; S85-V106 VanDerWaalsContact CA-O 3.3Å; S85-V106 WeakPolarHBondContact CA-O 3.42Å; A86-V106 PolarHBondContact N-O 3.02Å; A86-V106 VanDerWaalsContact N-O 3.08Å; A86-V106 PolarHBondContact O-N 3.17Å; Y88-V106 HydrophobicContact CD2-CB 3.97Å; Y88-V106 HydrophobicContact CD2-CG2 3.75Å; Y88-V106 HydrophobicContact CE2-CB 3.81Å; Y88-V106 HydrophobicContact CE2-CG2 4.01Å; T104-V106 HydrophobicContact CG2-CG2 4.16Å; V106-V108 HydrophobicContact CG1-CG2 4.38Å
107	T	94.9	Very high	89.4	Confident	64 Å²	64	68.6 Å²	68.6	39%	0.393	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.6	177	-56.3	0	0	0	0	109	G2 L3 V4	G2-T107 PolarHBondContact O-N 2.65Å; L3-T107 WeakPolarHBondContact CA-O 3.45Å; L3-T107 HydrophobicContact CD1-CG2 3.97Å; V4-T107 PolarHBondContact N-O 3.21Å
108	V	91.3	Very high	89.9	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	104.1	175.3	-173.9	0	0	0	0	108.3	V4 P6 L80 R81 S85 V106	V4-V108 VanDerWaalsContact O-CA 3.26Å; V4-V108 WeakPolarHBondContact O-CA 3.42Å; P6-V108 HydrophobicContact CB-CG1 4.45Å; P6-V108 HydrophobicContact CG-CG1 4.13Å; L80-V108 HydrophobicContact CB-CG1 4.38Å; L80-V108 HydrophobicContact CB-CG2 4.06Å; L80-V108 HydrophobicContact CD1-CG2 4.43Å; L80-V108 HydrophobicContact CD2-CG2 4.31Å; R81-V108 WeakPolarHBondContact O-CB 3.37Å; S85-V108 PolarHBondContact OG-N 3.02Å; V106-V108 HydrophobicContact CG1-CG2 4.38Å
109	S	84.8	Confident	90.3	Very high	51 Å²	51	66.3 Å²	66.3	36%	0.357	39%	0.385	S	S	.	.			trans	-133.8	148.4	-178.9	65.6	0	0	0	0	111.2	L3 V4	L3-S109 WeakPolarHBondContact CD1-OG 3.47Å; V4-S109 PolarHBondContact O-N 3.09Å
110	S	65.1	Low	90.3	Very high	150 Å²	150	64.8 Å²	64.8	100%	1.049	39%	0.391	S	S	*	.			trans	-72.4	0	171.1	57.2	0	0	0	0	111.8

Retrieved 110 of 110 residues in 30.9 ms (Link to these results)

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