X5J5Q3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5Q3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5Q3_MOUSE|X5J5Q3
GGLVQPGGSRKLSCAASGFTFSSFGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNPKNTLFLQMTSLRSEDTAMYYCARSLPGIYYAMDYWGQGTSVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	50.9	Low	80.8	Confident	93 Å²	93	68.3 Å²	68.3	96%	0.959	45%	0.453	S	S	*	.				0	135.4	0	0	0	0	0	0	108	S107	G1-S107 WeakPolarHBondContact CA-O 3.42Å
2	G	64.9	Low	82.2	Confident	34 Å²	34	63 Å²	63	35%	0.351	42%	0.418	S	S	.	.			trans	-98.8	143.1	-178.8	0	0	0	0	0	112.5	R10	G2-R10 PolarHBondContact O-NH1 2.79Å
3	L	73.3	Confident	83.4	Confident	119 Å²	119	64.5 Å²	64.5	62%	0.623	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	133.7	169.3	-162.6	108.5	0	0	0	109.1	S111	L3-S111 VanDerWaalsContact CD1-OG 3.29Å; L3-S111 WeakPolarHBondContact CD1-OG 3.24Å; L3-S111 WeakPolarHBondContact CG-OG 3.17Å
4	V	78.3	Confident	84.4	Confident	20 Å²	20	61.1 Å²	61.1	12%	0.121	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.7	175.7	-169.8	0	0	0	0	109	R10 L78 T109 V110 S111	V4-R10 HydrophobicContact CG2-CB 4.14Å; V4-R10 HydrophobicContact CG2-CG 4.46Å; V4-L78 HydrophobicContact CB-CD1 4.2Å; V4-L78 HydrophobicContact CG1-CD1 3.8Å; V4-L78 HydrophobicContact CG2-CD1 4.39Å; V4-T109 PolarHBondContact N-O 2.78Å; V4-V110 VanDerWaalsContact O-CA 3.29Å; V4-V110 WeakPolarHBondContact O-CA 3.46Å; V4-S111 PolarHBondContact O-N 3.41Å
5	Q	81.3	Confident	85.2	Confident	105 Å²	105	62.4 Å²	62.4	49%	0.491	43%	0.425	S	S	.	.			trans	-72.7	148	174.4	-71.9	-67.3	-25.1	0	0	110.8	G7 G8 S111	Q5-G7 PolarHBondContact O-N 2.92Å; Q5-G8 WeakPolarHBondContact O-CA 3.23Å; Q5-G8 PolarHBondContact O-N 3Å; Q5-S111 PolarHBondContact OE1-O 2.79Å
6	P	83.1	Confident	85.7	Confident	66 Å²	66	59.4 Å²	59.4	43%	0.429	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	140.3	171.6	-25.3	34.2	0	0	0	111.6	G8 V110 S111	P6-G8 PolarHBondContact O-N 2.92Å; P6-V110 HydrophobicContact CB-CG1 4.47Å; P6-V110 HydrophobicContact CG-CG1 4.18Å; P6-S111 WeakPolarHBondContact CD-O 3.25Å
7	G	83.6	Confident	86.1	Confident	56 Å²	56	60.6 Å²	60.6	58%	0.577	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-10.7	-172.8	0	0	0	0	0	114.4	Q5 L78	Q5-G7 PolarHBondContact O-N 2.92Å; G7-L78 PolarHBondContact N-O 3.27Å
8	G	90.4	Very high	86.4	Confident	23 Å²	23	62.2 Å²	62.2	24%	0.237	44%	0.442	C	S	.	.			trans	-66.9	174.7	176.8	0	0	0	0	0	113.8	Q5 P6 S77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.23Å; Q5-G8 PolarHBondContact O-N 3Å; P6-G8 PolarHBondContact O-N 2.92Å; G8-S77 PolarHBondContact O-N 2.88Å; G8-L78 PolarHBondContact O-N 2.85Å; G8-L78 VanDerWaalsContact O-N 3.12Å
9	S	93.1	Very high	86.5	Confident	77 Å²	77	60.7 Å²	60.7	54%	0.538	43%	0.427	S	S	.	.			trans	-124.7	150.5	175.2	70.9	0	0	0	0	111.2	M75	S9-M75 CarbonylContact C-O 3.41Å; S9-M75 WeakPolarHBondContact CA-O 3.5Å; S9-M75 VanDerWaalsContact CB-O 3.32Å; S9-M75 WeakPolarHBondContact CB-O 3.15Å
10	R	93.3	Very high	86.9	Confident	42 Å²	42	62.2 Å²	62.2	16%	0.158	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	140.5	175.3	-178.7	165.2	174.9	-159	-13.6	110.1	G2 V4 L12 M75 L78 S107	G2-R10 PolarHBondContact O-NH1 2.79Å; V4-R10 HydrophobicContact CG2-CB 4.14Å; V4-R10 HydrophobicContact CG2-CG 4.46Å; R10-L12 HydrophobicContact CG-CD2 4.1Å; R10-M75 HydrophobicContact CB-CE 3.72Å; R10-M75 HydrophobicContact CG-CE 3.96Å; R10-M75 PolarHBondContact N-O 3.17Å; R10-M75 WeakPolarHBondContact O-CB 3.29Å; R10-M75 PolarHBondContact O-N 3.39Å; R10-L78 HydrophobicContact CB-CD1 3.98Å; R10-S107 PolarHBondContact NH1-O 3.05Å; R10-S107 PolarHBondContact NH2-O 3.01Å; R10-S107 VanDerWaalsContact NH2-O 3.13Å
11	K	96.4	Very high	87.2	Confident	116 Å²	116	59.2 Å²	59.2	50%	0.504	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.9	172.8	-167	173.3	177.8	177.8	0	109.5	F72 L73	K11-F72 HydrophobicContact CD-CD1 4.48Å; K11-F72 VanDerWaalsContact CE-CD1 3.42Å; K11-L73 CarbonylContact C-O 3.55Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å
12	L	97.4	Very high	89.3	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.026	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	149.8	169.2	-51.1	-175.6	0	0	0	109.6	R10 W28 F72 L73 M75 Y86 T106 V108	R10-L12 HydrophobicContact CG-CD2 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.79Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; L12-F72 WeakPolarHBondContact O-CA 3.43Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.74Å; L12-L73 PolarHBondContact O-N 2.91Å; L12-M75 HydrophobicContact CD1-CE 3.94Å; L12-M75 HydrophobicContact CD1-SD 3.87Å; L12-M75 HydrophobicContact CD2-CE 3.81Å; L12-M75 HydrophobicContact CG-CE 3.68Å; L12-M75 HydrophobicContact CG-SD 4.12Å; L12-Y86 HydrophobicContact CD1-CD1 4.05Å; L12-Y86 HydrophobicContact CD1-CD2 4.29Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; L12-T106 HydrophobicContact CD1-CG2 3.85Å; L12-T106 HydrophobicContact CD2-CG2 3.84Å; L12-T106 HydrophobicContact CG-CG2 4.28Å; L12-V108 HydrophobicContact CD1-CG2 3.99Å; L12-V108 HydrophobicContact CD2-CG2 3.83Å; L12-V108 HydrophobicContact CG-CG2 4.49Å
13	S	97.6	Very high	90.6	Very high	82 Å²	82	58.9 Å²	58.9	57%	0.573	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	148	171.7	57.5	0	0	0	0	110.3	L71	S13-L71 CarbonylContact C-O 3.57Å; S13-L71 VanDerWaalsContact CA-O 3.28Å; S13-L71 WeakPolarHBondContact CA-O 3.23Å
14	C	97.2	Very high	91.6	Very high	18 Å²	18	54.7 Å²	54.7	12%	0.122	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.1	171.6	162.9	0	0	0	0	108.5	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 2.93Å; C14-L71 PolarHBondContact O-N 2.77Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.47Å
15	A	96.4	Very high	92.4	Very high	80 Å²	80	54.1 Å²	54.1	66%	0.661	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.8	173.2	0	0	0	0	0	109.1
16	A	93.8	Very high	93.1	Very high	15 Å²	15	49.3 Å²	49.3	12%	0.124	34%	0.342	C	S	.	.			trans	-91.1	140.9	176.8	0	0	0	0	0	110.7	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.97Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.11Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-N69 WeakPolarHBondContact CB-O 3.24Å; A16-N69 PolarHBondContact N-O 3.4Å
17	S	92.6	Very high	93.8	Very high	80 Å²	80	46.4 Å²	46.4	56%	0.559	32%	0.323	S	S	*	.			trans	-141.4	159.1	174	59.6	0	0	0	0	109.4	F19	S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.01Å; S17-F19 PolarHBondContact O-N 3.04Å
18	G	90.7	Very high	94.5	Very high	88 Å²	88	44 Å²	44	91%	0.907	30%	0.297	S	S	*	.	S	Bend	trans	82.6	2.6	177.7	0	0	0	0	0	115.8
19	F	89.8	Confident	94.9	Very high	35 Å²	35	43 Å²	43	15%	0.154	29%	0.286	C	S	.	.	S	Bend	trans	-156.8	163.8	173.3	63.2	-85.1	0	0	0	112.2	A16 S17 F21 F24 M26 R90 Y101	A16-F19 HydrophobicContact CB-CE1 3.97Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-F19 WeakPolarHBondContact O-CD1 3.01Å; S17-F19 PolarHBondContact O-N 3.04Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.39Å; F19-F24 HydrophobicContact CB-CE2 4.29Å; F19-F24 AromaticContact CD2-CD2 3.61Å; F19-F24 HydrophobicContact CD2-CD2 3.61Å; F19-F24 AromaticContact CD2-CE2 3.95Å; F19-F24 HydrophobicContact CD2-CE2 3.95Å; F19-F24 HydrophobicContact CD2-CG 4.35Å; F19-F24 HydrophobicContact CE2-CD2 4.17Å; F19-M26 HydrophobicContact CE2-SD 4.21Å; F19-M26 HydrophobicContact CZ-CE 4.32Å; F19-M26 HydrophobicContact CZ-SD 4.22Å; F19-R90 HydrophobicContact CE2-CG 4.08Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.3Å; F19-Y101 AromaticContact CE1-CD1 3.9Å; F19-Y101 HydrophobicContact CE1-CD1 3.9Å; F19-Y101 HydrophobicContact CE1-CE1 4.1Å; F19-Y101 HydrophobicContact CE1-CG 4.42Å
20	T	92.9	Very high	95.1	Very high	89 Å²	89	40 Å²	40	55%	0.546	26%	0.263	S	S	.	.			trans	-73.7	86.6	175.9	-50	0	0	0	0	110.8	S22 S23 F24	T20-S22 PolarHBondContact O-N 3.22Å; T20-S22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CG2-OG 3.17Å; T20-S23 WeakPolarHBondContact O-CB 3.21Å; T20-S23 PolarHBondContact O-N 3.22Å; T20-F24 WeakPolarHBondContact O-CD2 3.32Å
21	F	94.1	Very high	95.2	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-48.6	-40.6	-174.3	177.5	-101.3	0	0	0	114.3	A16 F19 S23 F24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.11Å; A16-F21 HydrophobicContact CB-CG 4.18Å; F19-F21 HydrophobicContact CE2-CB 4.32Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.45Å; F19-F21 PolarHBondContact O-N 3.39Å; F21-S23 PolarHBondContact O-N 3.26Å; F21-F24 PolarHBondContact O-N 3.04Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.2Å; F21-M26 HydrophobicContact CD2-SD 3.97Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.8Å; F21-M26 HydrophobicContact CZ-CG 4.06Å; F21-R64 HydrophobicContact CE1-CB 4.08Å; F21-R64 HydrophobicContact CZ-CB 4.06Å; F21-R64 PolarHBondContact O-NH2 2.97Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.39Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.49Å; F21-N69 HydrophobicContact CD1-CB 4.48Å; F21-N69 HydrophobicContact CG-CB 4.22Å; F21-L71 HydrophobicContact CE2-CB 4.26Å; F21-L71 HydrophobicContact CZ-CB 4.15Å
22	S	94.4	Very high	95.1	Very high	52 Å²	52	37 Å²	37	36%	0.364	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.4	-18.4	179.3	56	0	0	0	0	114.5	T20 S45	T20-S22 PolarHBondContact O-N 3.22Å; T20-S22 VanDerWaalsContact O-N 3.09Å; S22-S45 WeakPolarHBondContact O-CB 3.47Å
23	S	93.2	Very high	94.7	Very high	67 Å²	67	42.5 Å²	42.5	47%	0.469	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-87.4	-10.8	180	-57	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.17Å; T20-S23 WeakPolarHBondContact O-CB 3.21Å; T20-S23 PolarHBondContact O-N 3.22Å; F21-S23 PolarHBondContact O-N 3.26Å
24	F	93.8	Very high	94.3	Very high	31 Å²	31	47.8 Å²	47.8	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-119.8	150.8	-172.2	-60	-95	0	0	0	113.1	F19 T20 F21 R64 R90 S91 P93	F19-F24 HydrophobicContact CB-CE2 4.29Å; F19-F24 AromaticContact CD2-CD2 3.61Å; F19-F24 HydrophobicContact CD2-CD2 3.61Å; F19-F24 AromaticContact CD2-CE2 3.95Å; F19-F24 HydrophobicContact CD2-CE2 3.95Å; F19-F24 HydrophobicContact CD2-CG 4.35Å; F19-F24 HydrophobicContact CE2-CD2 4.17Å; T20-F24 WeakPolarHBondContact O-CD2 3.32Å; F21-F24 PolarHBondContact O-N 3.04Å; F24-R64 PolarHBondContact O-NH1 3.05Å; F24-R90 HydrophobicContact CB-CG 3.59Å; F24-R90 HydrophobicContact CD1-CG 3.89Å; F24-R90 HydrophobicContact CG-CG 3.82Å; F24-S91 WeakPolarHBondContact CD1-O 3.2Å; F24-P93 HydrophobicContact CD1-CG 3.9Å; F24-P93 HydrophobicContact CE1-CG 3.77Å
25	G	94.9	Very high	93.9	Very high	8 Å²	8	52.2 Å²	52.2	8%	0.082	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	150	164.9	0	0	0	0	0	110.5	I43 S91	G25-I43 WeakPolarHBondContact CA-O 3.39Å; G25-S91 PolarHBondContact O-N 3.25Å; G25-S91 PolarHBondContact O-OG 2.91Å
26	M	96.9	Very high	93.8	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144	-173.8	-61.1	-60.7	-58.2	0	0	110.7	F19 F21 Y42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.21Å; F19-M26 HydrophobicContact CZ-CE 4.32Å; F19-M26 HydrophobicContact CZ-SD 4.22Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.2Å; F21-M26 HydrophobicContact CD2-SD 3.97Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-M26 HydrophobicContact CE2-CG 3.57Å; F21-M26 HydrophobicContact CE2-SD 3.8Å; F21-M26 HydrophobicContact CZ-CG 4.06Å; M26-Y42 CarbonylContact O-C 3.6Å; M26-Y42 WeakPolarHBondContact O-CA 3.39Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.34Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 3.28Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.48Å; M26-L71 HydrophobicContact CG-CD1 4.34Å; M26-A89 CarbonylContact C-O 3.57Å; M26-A89 WeakPolarHBondContact CA-O 3.35Å; M26-R90 HydrophobicContact CE-CB 4.45Å; M26-R90 HydrophobicContact SD-CB 4.13Å; M26-R90 HydrophobicContact SD-CG 4.2Å
27	H	97.6	Very high	93.8	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.028	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.3	-177.1	-57.9	-105.2	0	0	0	110.5	W39 A41 Y42 C88 A89 S91 Y96 M99	H27-W39 AromaticContact ND1-CD1 3.82Å; H27-W39 AromaticContact ND1-NE1 3.28Å; H27-W39 PolarHBondContact ND1-NE1 2.72Å; H27-A41 CarbonylContact C-O 3.59Å; H27-A41 VanDerWaalsContact CA-O 3.25Å; H27-A41 WeakPolarHBondContact CA-O 3.45Å; H27-Y42 AromaticContact CD2-CD2 3.81Å; H27-Y42 AromaticContact CE1-CD2 3.19Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.5Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.91Å; H27-Y42 AromaticContact CG-CD2 3.97Å; H27-Y42 AromaticContact ND1-CD2 3.61Å; H27-Y42 AromaticContact NE2-CD2 3.29Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.29Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.32Å; H27-Y42 AromaticContact NE2-CE2 3.57Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.22Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.13Å; H27-A89 PolarHBondContact O-N 2.82Å; H27-S91 WeakPolarHBondContact NE2-CB 3.5Å; H27-S91 PolarHBondContact NE2-OG 3.18Å; H27-Y96 PolarHBondContact CE1-O 2.81Å; H27-M99 HydrophobicContact CB-CE 4.05Å; H27-M99 HydrophobicContact CB-SD 4.18Å; H27-M99 WeakPolarHBondContact ND1-CE 3.2Å
28	W	98.1	Very high	94	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.5	154.7	-79	99.1	0	0	0	109.1	L12 C14 V40 A41 L71 F72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.79Å; L12-W28 HydrophobicContact CB-CZ2 4.02Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.18Å; C14-W28 HydrophobicContact CB-CH2 3.98Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.43Å; W28-V40 WeakPolarHBondContact O-CB 3.4Å; W28-V40 PolarHBondContact O-N 2.9Å; W28-A41 PolarHBondContact N-O 2.83Å; W28-A41 PolarHBondContact O-N 3.42Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CD2 4.44Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; W28-F72 PolarHBondContact NE1-O 3.25Å; W28-L73 HydrophobicContact CB-CD2 4.24Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.17Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.98Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.24Å; W28-Y87 WeakPolarHBondContact CA-O 3.4Å; W28-Y87 VanDerWaalsContact CE3-O 3.3Å; W28-C88 HydrophobicContact CE3-CB 4.49Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.39Å
29	V	97.8	Very high	94.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.5	176.6	-177.3	0	0	0	0	107	L37 E38 Y86 Y87 M99 W102	V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; V29-Y86 CarbonylContact O-C 3.49Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 2.96Å; V29-Y87 PolarHBondContact O-N 3.43Å; V29-M99 HydrophobicContact CG2-CE 4.3Å; V29-M99 HydrophobicContact CG2-SD 3.87Å; V29-W102 HydrophobicContact CB-CH2 3.98Å; V29-W102 HydrophobicContact CB-CZ3 3.68Å; V29-W102 HydrophobicContact CG1-CH2 3.86Å; V29-W102 HydrophobicContact CG1-CZ3 3.79Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.85Å
30	R	97.4	Very high	94.7	Very high	13 Å²	13	52.2 Å²	52.2	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.7	176.2	73.9	-179.1	-174.9	-175.5	3.3	112.1	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4.07Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 2.99Å; R30-E38 IonicContact NE-OE2 3.04Å; R30-E38 PolarHBondContact NE-OE2 3.07Å; R30-E38 IonicContact NH2-OE2 3.4Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.89Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.66Å; R30-D82 IonicContact NH1-OD1 2.9Å; R30-D82 PolarHBondContact NH1-OD1 3.02Å; R30-A84 HydrophobicContact CB-CB 3.9Å; R30-A84 HydrophobicContact CG-CB 4.22Å; R30-M85 CarbonylContact C-O 3.45Å; R30-M85 WeakPolarHBondContact CA-O 3.43Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.36Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.49Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.04Å
31	Q	97.1	Very high	94.9	Very high	78 Å²	78	48 Å²	48	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113	173.6	-167.8	178.1	17	0	0	109.5	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; Q31-L37 HydrophobicContact CB-CD2 4.13Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; Q31-M85 PolarHBondContact N-O 3.11Å; Q31-M85 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å
32	A	94.6	Very high	95	Very high	16 Å²	16	48.4 Å²	48.4	13%	0.132	26%	0.264	C	S	.	.			trans	-79.4	156.2	171.5	0	0	0	0	0	110.2	E34 K35 A84	A32-E34 PolarHBondContact O-N 3.21Å; A32-K35 HydrophobicContact CB-CB 4.1Å; A32-K35 HydrophobicContact CB-CD 4.15Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.82Å; A32-A84 HydrophobicContact CB-CB 4.47Å
33	P	87.4	Confident	95.1	Very high	121 Å²	121	46.1 Å²	46.1	79%	0.786	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-21.2	-172.6	-29.2	36.2	0	0	0	116.6
34	E	89.2	Confident	95.2	Very high	193 Å²	193	43.3 Å²	43.3	90%	0.902	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.8	13.9	-178.2	-60.6	-178.5	172.1	0	0	112.8	A32	A32-E34 PolarHBondContact O-N 3.21Å
35	K	90.3	Very high	95.2	Very high	112 Å²	112	44.2 Å²	44.2	49%	0.487	24%	0.238	S	C	.	.	S	Bend	trans	-123	157.8	-176.4	-64.9	-170	171	-174.4	0	112	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.39Å; A32-K35 HydrophobicContact CB-CB 4.1Å; A32-K35 HydrophobicContact CB-CD 4.15Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.82Å; K35-E38 VanDerWaalsContact CD-OE1 3.23Å; K35-E38 WeakPolarHBondContact CD-OE1 3.43Å; K35-E38 IonicContact NZ-OE1 2.92Å; K35-E38 PolarHBondContact NZ-OE1 3.2Å
36	G	93.2	Very high	95.1	Very high	50 Å²	50	46.5 Å²	46.5	52%	0.515	26%	0.262	S	S	.	.			trans	-68	-175.8	165	0	0	0	0	0	112.4	E38	G36-E38 PolarHBondContact O-N 3.26Å
37	L	94.9	Very high	95	Very high	100 Å²	100	48.8 Å²	48.8	52%	0.524	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124	173.7	-69.4	167.5	0	0	0	110.3	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.84Å; V29-L37 HydrophobicContact CG1-CG 4.4Å; Q31-L37 HydrophobicContact CB-CD2 4.13Å; L37-Y87 HydrophobicContact CD2-CD2 4.33Å; L37-Y87 HydrophobicContact CD2-CE2 4.37Å; L37-W102 HydrophobicContact CD1-CH2 3.97Å; L37-W102 HydrophobicContact CD1-CZ3 4.3Å; L37-W102 HydrophobicContact CD2-CZ3 4.18Å
38	E	96.1	Very high	94.8	Very high	54 Å²	54	53.4 Å²	53.4	25%	0.252	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122	175.2	-65.1	-178.9	147.3	0	0	109	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; R30-E38 HydrophobicContact CG-CB 4.07Å; R30-E38 IonicContact CZ-OE2 3.68Å; R30-E38 PolarHBondContact N-O 2.99Å; R30-E38 IonicContact NE-OE2 3.04Å; R30-E38 PolarHBondContact NE-OE2 3.07Å; R30-E38 IonicContact NH2-OE2 3.4Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.89Å; K35-E38 VanDerWaalsContact CD-OE1 3.23Å; K35-E38 WeakPolarHBondContact CD-OE1 3.43Å; K35-E38 IonicContact NZ-OE1 2.92Å; K35-E38 PolarHBondContact NZ-OE1 3.2Å; G36-E38 PolarHBondContact O-N 3.26Å
39	W	96.6	Very high	94.7	Very high	92 Å²	92	55.6 Å²	55.6	35%	0.348	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.3	173.7	176.3	76.8	0	0	0	110.9	H27 A41 Y52 A53	H27-W39 AromaticContact ND1-CD1 3.82Å; H27-W39 AromaticContact ND1-NE1 3.28Å; H27-W39 PolarHBondContact ND1-NE1 2.72Å; W39-A41 PolarHBondContact NE1-O 2.93Å; W39-A41 VanDerWaalsContact NE1-O 3.09Å; W39-Y52 VanDerWaalsContact CZ3-C 3.46Å; W39-A53 HydrophobicContact CE3-CB 3.98Å; W39-A53 HydrophobicContact CZ3-CB 4.01Å; W39-A53 VanDerWaalsContact CZ3-N 3.28Å; W39-A53 WeakPolarHBondContact O-CB 3.34Å
40	V	97.5	Very high	94.6	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-53.3	-173.6	178	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.1Å; W28-V40 HydrophobicContact CB-CG1 4.43Å; W28-V40 WeakPolarHBondContact O-CB 3.4Å; W28-V40 PolarHBondContact O-N 2.9Å; R30-V40 HydrophobicContact CB-CG2 3.87Å; R30-V40 HydrophobicContact CG-CG2 3.66Å; V40-A53 PolarHBondContact O-N 3Å; V40-V56 HydrophobicContact CG1-CG1 4.4Å; V40-V56 HydrophobicContact CG1-CG2 4Å; V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.3Å; V40-L73 HydrophobicContact CG1-CD2 4.21Å; V40-Y86 HydrophobicContact CG2-CE1 4.33Å
41	A	97.8	Very high	94.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.1	-175.8	0	0	0	0	0	112	H27 W28 W39 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.59Å; H27-A41 VanDerWaalsContact CA-O 3.25Å; H27-A41 WeakPolarHBondContact CA-O 3.45Å; W28-A41 PolarHBondContact N-O 2.83Å; W28-A41 PolarHBondContact O-N 3.42Å; W39-A41 PolarHBondContact NE1-O 2.93Å; W39-A41 VanDerWaalsContact NE1-O 3.09Å; A41-Y51 CarbonylContact C-O 3.47Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; A41-I62 HydrophobicContact CB-CB 4.02Å; A41-I62 HydrophobicContact CB-CD1 4.03Å; A41-I62 HydrophobicContact CB-CG2 4.14Å; A41-L73 HydrophobicContact CB-CD1 4.47Å
42	Y	96.8	Very high	94.6	Very high	11 Å²	11	63.8 Å²	63.8	4%	0.043	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.2	175.7	167.9	-104.6	0	0	0	110.7	M26 H27 S44 T49 I50 Y51 Y96	M26-Y42 CarbonylContact O-C 3.6Å; M26-Y42 WeakPolarHBondContact O-CA 3.39Å; M26-Y42 VanDerWaalsContact O-CD2 3.31Å; M26-Y42 WeakPolarHBondContact O-CD2 3.34Å; H27-Y42 AromaticContact CD2-CD2 3.81Å; H27-Y42 AromaticContact CE1-CD2 3.19Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.5Å; H27-Y42 AromaticContact CE1-CE2 3.84Å; H27-Y42 AromaticContact CE1-CG 3.91Å; H27-Y42 AromaticContact CG-CD2 3.97Å; H27-Y42 AromaticContact ND1-CD2 3.61Å; H27-Y42 AromaticContact NE2-CD2 3.29Å; H27-Y42 VanDerWaalsContact NE2-CD2 3.29Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.32Å; H27-Y42 AromaticContact NE2-CE2 3.57Å; Y42-S44 WeakPolarHBondContact OH-CA 3.43Å; Y42-T49 HydrophobicContact CE1-CG2 4.42Å; Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.28Å; Y42-I50 WeakPolarHBondContact O-CG2 3.42Å; Y42-Y51 AromaticContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CE2 4.31Å; Y42-Y51 HydrophobicContact CE1-CD2 4.39Å; Y42-Y51 PolarHBondContact N-O 3Å; Y42-Y51 PolarHBondContact O-N 2.97Å; Y42-Y96 HydrophobicContact CE1-CD1 4.48Å; Y42-Y96 HydrophobicContact CE2-CD1 4.4Å; Y42-Y96 AromaticContact CZ-CD1 3.82Å; Y42-Y96 VanDerWaalsContact OH-CD1 3.24Å; Y42-Y96 WeakPolarHBondContact OH-CD1 3.46Å; Y42-Y96 VanDerWaalsContact OH-CE1 3.3Å; Y42-Y96 WeakPolarHBondContact OH-CE1 3.41Å
43	I	96.9	Very high	94.8	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.5	169.9	-172.5	160.3	0	0	0	110.3	G25 M26 I50 I62 R64 L71	G25-I43 WeakPolarHBondContact CA-O 3.39Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 3.28Å; I43-I50 HydrophobicContact CB-CG1 4.45Å; I43-I50 HydrophobicContact CD1-CD1 4.01Å; I43-I50 HydrophobicContact CD1-CG1 4.2Å; I43-I50 HydrophobicContact CG1-CD1 4.36Å; I43-I50 HydrophobicContact CG1-CG1 3.99Å; I43-I62 HydrophobicContact CB-CD1 3.98Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.1Å; I43-I62 HydrophobicContact CG2-CD1 3.6Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I43-R64 HydrophobicContact CD1-CB 4.46Å; I43-R64 HydrophobicContact CD1-CG 3.84Å; I43-R64 HydrophobicContact CG1-CG 4.42Å; I43-L71 HydrophobicContact CG2-CD1 3.58Å
44	S	94.9	Very high	95.2	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.063	36%	0.356	C	S	.	.			trans	-68.8	165.2	176.2	66.8	0	0	0	0	112.7	Y42 G46 S47 S48 T49 R64	Y42-S44 WeakPolarHBondContact OH-CA 3.43Å; S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 2.89Å; S44-S47 PolarHBondContact O-N 3.3Å; S44-S47 PolarHBondContact OG-N 2.68Å; S44-S48 PolarHBondContact OG-N 3Å; S44-S48 PolarHBondContact OG-OG 3.32Å; S44-T49 PolarHBondContact N-O 3.03Å; S44-T49 PolarHBondContact OG-N 3.02Å; S44-T49 VanDerWaalsContact OG-N 3.11Å; S44-R64 PolarHBondContact O-NH1 3.31Å
45	S	93.6	Very high	95.5	Very high	49 Å²	49	59.7 Å²	59.7	34%	0.343	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-46.6	175.9	46.3	0	0	0	0	113.3	S22 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.47Å; S45-R64 PolarHBondContact O-NE 2.89Å; S45-N66 PolarHBondContact O-ND2 2.9Å
46	G	91.9	Very high	95.8	Very high	56 Å²	56	54.3 Å²	54.3	58%	0.577	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	6.8	179.2	0	0	0	0	0	115.2	S44 S48	S44-G46 VanDerWaalsContact C-N 3.27Å; S44-G46 PolarHBondContact O-N 2.89Å; G46-S48 PolarHBondContact O-N 3.4Å
47	S	94.9	Very high	95.9	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	32%	0.32	S	S	.	.	S	Bend	trans	59.1	12.7	-176.2	-50.8	0	0	0	0	115.5	S44 T49 R64	S44-S47 PolarHBondContact O-N 3.3Å; S44-S47 PolarHBondContact OG-N 2.68Å; S47-T49 VanDerWaalsContact C-N 3.31Å; S47-R64 WeakPolarHBondContact OG-CD 3.28Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å
48	S	94.3	Very high	95.9	Very high	104 Å²	104	57.6 Å²	57.6	73%	0.727	33%	0.334	S	S	*	.			trans	-75	-21.3	179.4	56	0	0	0	0	113.2	S44 G46	S44-S48 PolarHBondContact OG-N 3Å; S44-S48 PolarHBondContact OG-OG 3.32Å; G46-S48 PolarHBondContact O-N 3.4Å
49	T	94.9	Very high	96	Very high	49 Å²	49	56.2 Å²	56.2	30%	0.301	33%	0.326	S	S	.	.			trans	-129.8	124.1	-177.6	-52.2	0	0	0	0	108.7	Y42 S44 S47 Y51	Y42-T49 HydrophobicContact CE1-CG2 4.42Å; S44-T49 PolarHBondContact N-O 3.03Å; S44-T49 PolarHBondContact OG-N 3.02Å; S44-T49 VanDerWaalsContact OG-N 3.11Å; S47-T49 VanDerWaalsContact C-N 3.31Å; T49-Y51 HydrophobicContact CG2-CD2 4.05Å; T49-Y51 HydrophobicContact CG2-CE1 4.33Å; T49-Y51 HydrophobicContact CG2-CE2 3.3Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.19Å
50	I	96.9	Very high	96.1	Very high	66 Å²	66	52 Å²	52	34%	0.338	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.7	179.7	-59.2	179	0	0	0	108.4	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.28Å; Y42-I50 WeakPolarHBondContact O-CG2 3.42Å; I43-I50 HydrophobicContact CB-CG1 4.45Å; I43-I50 HydrophobicContact CD1-CD1 4.01Å; I43-I50 HydrophobicContact CD1-CG1 4.2Å; I43-I50 HydrophobicContact CG1-CD1 4.36Å; I43-I50 HydrophobicContact CG1-CG1 3.99Å; I50-Y52 HydrophobicContact CG2-CD2 4.17Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.39Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.18Å; I50-I62 HydrophobicContact CG2-CG2 3.49Å; I50-I62 VanDerWaalsContact CG2-CG2 3.49Å
51	Y	96.9	Very high	96.1	Very high	143 Å²	143	55.5 Å²	55.5	56%	0.561	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.1	174.4	-59.4	-64.9	0	0	0	110.4	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.47Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; Y42-Y51 AromaticContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CD2 3.7Å; Y42-Y51 HydrophobicContact CD1-CE2 4.31Å; Y42-Y51 HydrophobicContact CE1-CD2 4.39Å; Y42-Y51 PolarHBondContact N-O 3Å; Y42-Y51 PolarHBondContact O-N 2.97Å; T49-Y51 HydrophobicContact CG2-CD2 4.05Å; T49-Y51 HydrophobicContact CG2-CE1 4.33Å; T49-Y51 HydrophobicContact CG2-CE2 3.3Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.46Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.19Å
52	Y	98.1	Very high	96.1	Very high	59 Å²	59	55.7 Å²	55.7	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.4	177.9	-61.6	-79.6	0	0	0	109.5	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.46Å; A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; I50-Y52 HydrophobicContact CG2-CD2 4.17Å; I50-Y52 HydrophobicContact CG2-CE1 4.27Å; I50-Y52 HydrophobicContact CG2-CE2 3.39Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.45Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.18Å; Y52-F60 WeakPolarHBondContact CE1-O 3.33Å; Y52-T61 WeakPolarHBondContact OH-CA 3.19Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 3.37Å
53	A	97.3	Very high	96.2	Very high	16 Å²	16	57.3 Å²	57.3	13%	0.132	35%	0.346	C	S	.	.			trans	-66.6	144.5	167	0	0	0	0	0	110.1	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.98Å; W39-A53 HydrophobicContact CZ3-CB 4.01Å; W39-A53 VanDerWaalsContact CZ3-N 3.28Å; W39-A53 WeakPolarHBondContact O-CB 3.34Å; V40-A53 PolarHBondContact O-N 3Å; A53-T55 PolarHBondContact O-N 2.93Å; A53-T55 VanDerWaalsContact O-N 3.13Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.29Å; A53-V56 PolarHBondContact O-N 3.12Å; A53-K57 PolarHBondContact O-N 3.2Å
54	D	96.8	Very high	96.3	Very high	138 Å²	138	58.5 Å²	58.5	74%	0.738	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-176.7	-68.4	-36.4	0	0	0	112.6	V56	D54-V56 PolarHBondContact O-N 3.5Å
55	T	94.4	Very high	96.4	Very high	89 Å²	89	59.9 Å²	59.9	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.9	178.3	55.2	0	0	0	0	114.2	A53 R59	A53-T55 PolarHBondContact O-N 2.93Å; A53-T55 VanDerWaalsContact O-N 3.13Å; T55-R59 PolarHBondContact O-NH2 2.81Å
56	V	96.5	Very high	96.5	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-6.2	-176.8	-58.1	0	0	0	0	113.3	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.4Å; V40-V56 HydrophobicContact CG1-CG2 4Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.29Å; A53-V56 PolarHBondContact O-N 3.12Å; D54-V56 PolarHBondContact O-N 3.5Å; V56-G58 PolarHBondContact O-N 3.28Å; V56-R59 PolarHBondContact O-N 2.94Å; V56-F60 HydrophobicContact CB-CB 4.06Å; V56-F60 HydrophobicContact CB-CD1 4.31Å; V56-F60 HydrophobicContact CB-CD2 3.67Å; V56-F60 HydrophobicContact CB-CE2 4.13Å; V56-F60 HydrophobicContact CB-CG 3.76Å; V56-F60 HydrophobicContact CG1-CD2 3.69Å; V56-F60 HydrophobicContact CG1-CE2 3.64Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.12Å; V56-F60 HydrophobicContact CG2-CB 4.28Å; V56-F60 HydrophobicContact CG2-CD2 4.17Å; V56-F60 HydrophobicContact CG2-CG 4.4Å; V56-F60 PolarHBondContact O-N 3.39Å
57	K	95.6	Very high	96.7	Very high	139 Å²	139	63.1 Å²	63.1	60%	0.604	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	131.3	-178.6	-166.3	173.5	-175.8	176.4	0	110.5	A53 R59	A53-K57 PolarHBondContact O-N 3.2Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.13Å
58	G	96.1	Very high	96.7	Very high	80 Å²	80	67.3 Å²	67.3	83%	0.825	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-6.5	-176.5	0	0	0	0	0	115.3	V56	V56-G58 PolarHBondContact O-N 3.28Å
59	R	97.4	Very high	96.9	Very high	24 Å²	24	65.4 Å²	65.4	9%	0.091	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-36.1	176.1	-59.6	-169.5	-58.5	116.6	0.3	112.4	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.81Å; V56-R59 PolarHBondContact O-N 2.94Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 3.13Å; R59-T76 WeakPolarHBondContact CB-O 3.3Å; R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 3.44Å; R59-S77 PolarHBondContact NH1-O 3.16Å; R59-D82 IonicContact CZ-OD1 3.88Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.81Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 3.05Å; R59-D82 IonicContact NH2-OD1 3Å; R59-D82 PolarHBondContact NH2-OD1 2.89Å; R59-D82 IonicContact NH2-OD2 3.31Å; R59-D82 PolarHBondContact NH2-OD2 3.3Å
60	F	98	Very high	97	Very high	3 Å²	3	64 Å²	64	1%	0.013	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.2	-176.5	-68.7	14.1	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.83Å; V40-F60 HydrophobicContact CG1-CE2 4.3Å; Y52-F60 WeakPolarHBondContact CE1-O 3.33Å; V56-F60 HydrophobicContact CB-CB 4.06Å; V56-F60 HydrophobicContact CB-CD1 4.31Å; V56-F60 HydrophobicContact CB-CD2 3.67Å; V56-F60 HydrophobicContact CB-CE2 4.13Å; V56-F60 HydrophobicContact CB-CG 3.76Å; V56-F60 HydrophobicContact CG1-CD2 3.69Å; V56-F60 HydrophobicContact CG1-CE2 3.64Å; V56-F60 HydrophobicContact CG1-CG 4.22Å; V56-F60 HydrophobicContact CG1-CZ 4.12Å; V56-F60 HydrophobicContact CG2-CB 4.28Å; V56-F60 HydrophobicContact CG2-CD2 4.17Å; V56-F60 HydrophobicContact CG2-CG 4.4Å; V56-F60 PolarHBondContact O-N 3.39Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.47Å; F60-L73 HydrophobicContact CD2-CD2 4.03Å; F60-L73 HydrophobicContact CD2-CG 4.41Å; F60-L73 HydrophobicContact CE2-CD2 4.46Å; F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.45Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.02Å; F60-M75 HydrophobicContact CD2-CG 3.95Å; F60-M75 HydrophobicContact CE1-CB 3.63Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CB 4.44Å; F60-M75 HydrophobicContact CE2-CG 3.87Å; F60-M75 HydrophobicContact CE2-SD 3.97Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 3.99Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; F60-M75 HydrophobicContact CZ-SD 4.04Å; F60-L78 HydrophobicContact CE1-CD2 4.02Å; F60-L78 HydrophobicContact CZ-CD2 3.93Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å
61	T	98.4	Very high	97.1	Very high	75 Å²	75	60.9 Å²	60.9	46%	0.46	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.2	178.5	-54.9	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.19Å; T61-Q74 PolarHBondContact N-O 3.06Å; T61-Q74 PolarHBondContact O-N 2.88Å
62	I	98.6	Very high	97.1	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.8	173.6	-169.5	172.7	0	0	0	109.1	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.02Å; A41-I62 HydrophobicContact CB-CD1 4.03Å; A41-I62 HydrophobicContact CB-CG2 4.14Å; I43-I62 HydrophobicContact CB-CD1 3.98Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.1Å; I43-I62 HydrophobicContact CG2-CD1 3.6Å; I43-I62 HydrophobicContact CG2-CG1 3.91Å; I50-I62 HydrophobicContact CG2-CG2 3.49Å; I50-I62 VanDerWaalsContact CG2-CG2 3.49Å; Y52-I62 HydrophobicContact CE1-CB 4.27Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 3.37Å; I62-L71 HydrophobicContact CD1-CD1 4.07Å; I62-L71 HydrophobicContact CG1-CD1 4.02Å; I62-F72 WeakPolarHBondContact CA-O 3.49Å; I62-L73 HydrophobicContact CB-CD1 4.23Å
63	S	98.3	Very high	97.2	Very high	45 Å²	45	53 Å²	53	32%	0.315	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.9	173.5	52.6	0	0	0	0	110.4	F72	S63-F72 PolarHBondContact N-O 2.86Å; S63-F72 PolarHBondContact O-N 3.46Å
64	R	97.9	Very high	97.2	Very high	28 Å²	28	55 Å²	55	11%	0.106	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.6	-177.1	62.8	-175.7	-67.8	157.2	3.4	111	F21 F24 I43 S44 S45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.08Å; F21-R64 HydrophobicContact CZ-CB 4.06Å; F21-R64 PolarHBondContact O-NH2 2.97Å; F24-R64 PolarHBondContact O-NH1 3.05Å; I43-R64 HydrophobicContact CD1-CB 4.46Å; I43-R64 HydrophobicContact CD1-CG 3.84Å; I43-R64 HydrophobicContact CG1-CG 4.42Å; S44-R64 PolarHBondContact O-NH1 3.31Å; S45-R64 PolarHBondContact O-NE 2.89Å; S47-R64 WeakPolarHBondContact OG-CD 3.28Å; S47-R64 WeakPolarHBondContact OG-CG 3.25Å; R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH2-OD1 2.84Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.36Å; R64-L71 HydrophobicContact CB-CD1 4.18Å
65	D	97.3	Very high	97.2	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.203	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	103.3	172.4	-176.1	-27.9	0	0	0	107.6	P67 K68 N69 T70 F72	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.41Å; D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 CarbonylContact O-C 3.57Å; D65-K68 PolarHBondContact O-N 2.87Å; D65-K68 PolarHBondContact OD1-N 3.25Å; D65-K68 VanDerWaalsContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.24Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.19Å; D65-K68 WeakPolarHBondContact OD2-CG 3.3Å; D65-K68 IonicContact OD2-NZ 2.79Å; D65-K68 PolarHBondContact OD2-NZ 2.75Å; D65-N69 PolarHBondContact O-N 3.2Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 3.21Å; D65-F72 HydrophobicContact CB-CE2 3.83Å
66	N	96.2	Very high	97.3	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-47.4	-175.8	-77	-15.4	0	0	0	112.7	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.39Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; S45-N66 PolarHBondContact O-ND2 2.9Å; R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH2-OD1 2.84Å; N66-K68 PolarHBondContact O-N 2.8Å; N66-N69 PolarHBondContact O-N 3.02Å; N66-N69 PolarHBondContact O-OD1 3.36Å
67	P	95.3	Very high	97.2	Very high	122 Å²	122	49.8 Å²	49.8	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.5	173.8	-28.6	34.9	0	0	0	114.1	D65	D65-P67 VanDerWaalsContact OD1-CD 3.24Å; D65-P67 WeakPolarHBondContact OD1-CD 3.41Å
68	K	96.5	Very high	97.2	Very high	139 Å²	139	43.3 Å²	43.3	60%	0.604	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	3.3	177.9	-60.8	-174.3	-164	130.8	0	114.4	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 CarbonylContact O-C 3.57Å; D65-K68 PolarHBondContact O-N 2.87Å; D65-K68 PolarHBondContact OD1-N 3.25Å; D65-K68 VanDerWaalsContact OD1-N 3.11Å; D65-K68 WeakPolarHBondContact OD2-CD 3.24Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.19Å; D65-K68 WeakPolarHBondContact OD2-CG 3.3Å; D65-K68 IonicContact OD2-NZ 2.79Å; D65-K68 PolarHBondContact OD2-NZ 2.75Å; N66-K68 PolarHBondContact O-N 2.8Å; K68-T70 PolarHBondContact O-N 3.39Å; K68-T70 VanDerWaalsContact O-N 3.07Å; K68-T70 PolarHBondContact O-OG1 3.13Å
69	N	96.8	Very high	97.1	Very high	65 Å²	65	46 Å²	46	35%	0.348	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	37.8	-174.3	-59.6	-42.9	0	0	0	113.3	A16 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-O 3.24Å; A16-N69 PolarHBondContact N-O 3.4Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.49Å; F21-N69 HydrophobicContact CD1-CB 4.48Å; F21-N69 HydrophobicContact CG-CB 4.22Å; D65-N69 PolarHBondContact O-N 3.2Å; N66-N69 PolarHBondContact O-N 3.02Å; N66-N69 PolarHBondContact O-OD1 3.36Å
70	T	97.8	Very high	96.9	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.2	-170.5	-57.3	0	0	0	0	111.6	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.31Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.36Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 3.21Å; K68-T70 PolarHBondContact O-N 3.39Å; K68-T70 VanDerWaalsContact O-N 3.07Å; K68-T70 PolarHBondContact O-OG1 3.13Å; T70-F72 HydrophobicContact CG2-CD1 4.14Å; T70-F72 HydrophobicContact CG2-CD2 4.42Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.82Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
71	L	98.4	Very high	96.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.3	170.6	-171.7	71.1	0	0	0	110	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.57Å; S13-L71 VanDerWaalsContact CA-O 3.28Å; S13-L71 WeakPolarHBondContact CA-O 3.23Å; C14-L71 HydrophobicContact CB-CB 4.34Å; C14-L71 PolarHBondContact N-O 2.93Å; C14-L71 PolarHBondContact O-N 2.77Å; F21-L71 HydrophobicContact CE2-CB 4.26Å; F21-L71 HydrophobicContact CZ-CB 4.15Å; M26-L71 HydrophobicContact CB-CD1 3.7Å; M26-L71 HydrophobicContact CB-CD2 3.85Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.48Å; M26-L71 HydrophobicContact CG-CD1 4.34Å; W28-L71 HydrophobicContact CD2-CD2 4.46Å; W28-L71 HydrophobicContact CG-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CD2 4.44Å; W28-L71 VanDerWaalsContact NE1-CD2 3.31Å; I43-L71 HydrophobicContact CG2-CD1 3.58Å; I62-L71 HydrophobicContact CD1-CD1 4.07Å; I62-L71 HydrophobicContact CG1-CD1 4.02Å; R64-L71 HydrophobicContact CB-CD1 4.18Å; L71-C88 HydrophobicContact CD2-CB 3.97Å
72	F	98.4	Very high	96.5	Very high	37 Å²	37	50.4 Å²	50.4	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.4	177.7	-56.9	-78.3	0	0	0	112	K11 L12 W28 I62 S63 D65 T70	K11-F72 HydrophobicContact CD-CD1 4.48Å; K11-F72 VanDerWaalsContact CE-CD1 3.42Å; L12-F72 WeakPolarHBondContact O-CA 3.43Å; W28-F72 PolarHBondContact NE1-O 3.25Å; I62-F72 WeakPolarHBondContact CA-O 3.49Å; S63-F72 PolarHBondContact N-O 2.86Å; S63-F72 PolarHBondContact O-N 3.46Å; D65-F72 HydrophobicContact CB-CE2 3.83Å; T70-F72 HydrophobicContact CG2-CD1 4.14Å; T70-F72 HydrophobicContact CG2-CD2 4.42Å; T70-F72 HydrophobicContact CG2-CE1 3.51Å; T70-F72 HydrophobicContact CG2-CE2 3.82Å; T70-F72 HydrophobicContact CG2-CZ 3.32Å
73	L	98.6	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	108.3	167	-169.6	66.2	0	0	0	108.5	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.55Å; K11-L73 WeakPolarHBondContact CA-O 3.46Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.38Å; L12-L73 PolarHBondContact N-O 2.74Å; L12-L73 PolarHBondContact O-N 2.91Å; W28-L73 HydrophobicContact CB-CD2 4.24Å; W28-L73 HydrophobicContact CD2-CB 4.11Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.17Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.98Å; W28-L73 HydrophobicContact CG-CG 4.41Å; W28-L73 HydrophobicContact CZ2-CB 4.24Å; V40-L73 HydrophobicContact CG1-CD2 4.21Å; A41-L73 HydrophobicContact CB-CD1 4.47Å; F60-L73 HydrophobicContact CB-CD1 4.21Å; F60-L73 HydrophobicContact CD2-CD1 4.47Å; F60-L73 HydrophobicContact CD2-CD2 4.03Å; F60-L73 HydrophobicContact CD2-CG 4.41Å; F60-L73 HydrophobicContact CE2-CD2 4.46Å; I62-L73 HydrophobicContact CB-CD1 4.23Å; L73-M75 HydrophobicContact CD2-CG 3.94Å; L73-M75 HydrophobicContact CD2-SD 4.02Å; L73-M75 HydrophobicContact CG-CG 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 4.14Å; L73-Y86 HydrophobicContact CD2-CE1 4.3Å
74	Q	98.1	Very high	96.2	Very high	58 Å²	58	50.1 Å²	50.1	27%	0.271	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119	168.7	-176.4	64.6	39.7	0	0	108	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 3.06Å; T61-Q74 PolarHBondContact O-N 2.88Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å
75	M	97.4	Very high	96.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.7	178.2	-54.1	176.4	-55.8	0	0	107.8	S9 R10 L12 F60 L73 L78 Y86 V108	S9-M75 CarbonylContact C-O 3.41Å; S9-M75 WeakPolarHBondContact CA-O 3.5Å; S9-M75 VanDerWaalsContact CB-O 3.32Å; S9-M75 WeakPolarHBondContact CB-O 3.15Å; R10-M75 HydrophobicContact CB-CE 3.72Å; R10-M75 HydrophobicContact CG-CE 3.96Å; R10-M75 PolarHBondContact N-O 3.17Å; R10-M75 WeakPolarHBondContact O-CB 3.29Å; R10-M75 PolarHBondContact O-N 3.39Å; L12-M75 HydrophobicContact CD1-CE 3.94Å; L12-M75 HydrophobicContact CD1-SD 3.87Å; L12-M75 HydrophobicContact CD2-CE 3.81Å; L12-M75 HydrophobicContact CG-CE 3.68Å; L12-M75 HydrophobicContact CG-SD 4.12Å; F60-M75 HydrophobicContact CD1-CB 3.78Å; F60-M75 HydrophobicContact CD1-CG 4.02Å; F60-M75 HydrophobicContact CD2-CG 3.95Å; F60-M75 HydrophobicContact CE1-CB 3.63Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CB 4.44Å; F60-M75 HydrophobicContact CE2-CG 3.87Å; F60-M75 HydrophobicContact CE2-SD 3.97Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.05Å; F60-M75 HydrophobicContact CZ-CB 3.99Å; F60-M75 HydrophobicContact CZ-CG 3.89Å; F60-M75 HydrophobicContact CZ-SD 4.04Å; L73-M75 HydrophobicContact CD2-CG 3.94Å; L73-M75 HydrophobicContact CD2-SD 4.02Å; L73-M75 HydrophobicContact CG-CG 3.89Å; M75-L78 HydrophobicContact CB-CD1 4.38Å; M75-L78 HydrophobicContact CB-CD2 3.86Å; M75-L78 HydrophobicContact CB-CG 4.13Å; M75-L78 HydrophobicContact CE-CD1 4.31Å; M75-L78 HydrophobicContact CE-CD2 4.25Å; M75-L78 HydrophobicContact SD-CD2 4.24Å; M75-Y86 HydrophobicContact SD-CE1 4.18Å; M75-V108 HydrophobicContact CE-CG1 4.1Å; M75-V108 HydrophobicContact CE-CG2 4.02Å
76	T	96.4	Very high	96.3	Very high	52 Å²	52	50 Å²	50	32%	0.319	26%	0.263	S	S	.	.			trans	-117.2	161.2	173.6	66.5	0	0	0	0	110.2	R59 Q74 L78	R59-T76 WeakPolarHBondContact CB-O 3.3Å; R59-T76 PolarHBondContact O-N 2.8Å; R59-T76 PolarHBondContact O-OG1 3.44Å; Q74-T76 HydrophobicContact CG-CG2 4.29Å; T76-L78 PolarHBondContact O-N 2.95Å
77	S	94.8	Very high	96.3	Very high	66 Å²	66	49.6 Å²	49.6	46%	0.462	26%	0.259	S	S	.	.	S	Bend	trans	49.2	48.8	179.8	-56	0	0	0	0	111.7	G8 R59	G8-S77 PolarHBondContact O-N 2.88Å; R59-S77 PolarHBondContact NH1-O 3.16Å
78	L	95.2	Very high	96.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.224	C	C	.	.			trans	-61.1	140.9	-179.2	-82	166	0	0	0	110.8	V4 G7 G8 R10 F60 M75 T76 D82 V110	V4-L78 HydrophobicContact CB-CD1 4.2Å; V4-L78 HydrophobicContact CG1-CD1 3.8Å; V4-L78 HydrophobicContact CG2-CD1 4.39Å; G7-L78 PolarHBondContact N-O 3.27Å; G8-L78 PolarHBondContact O-N 2.85Å; G8-L78 VanDerWaalsContact O-N 3.12Å; R10-L78 HydrophobicContact CB-CD1 3.98Å; F60-L78 HydrophobicContact CE1-CD2 4.02Å; F60-L78 HydrophobicContact CZ-CD2 3.93Å; M75-L78 HydrophobicContact CB-CD1 4.38Å; M75-L78 HydrophobicContact CB-CD2 3.86Å; M75-L78 HydrophobicContact CB-CG 4.13Å; M75-L78 HydrophobicContact CE-CD1 4.31Å; M75-L78 HydrophobicContact CE-CD2 4.25Å; M75-L78 HydrophobicContact SD-CD2 4.24Å; T76-L78 PolarHBondContact O-N 2.95Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-V110 HydrophobicContact CB-CG1 4.39Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.44Å; L78-V110 HydrophobicContact CD2-CG2 4.29Å
79	R	94.1	Very high	96.4	Very high	137 Å²	137	37.7 Å²	37.7	52%	0.517	20%	0.196	S	C	.	.			trans	-119.4	164.1	178.2	-51.6	177.4	179.3	170.6	-2.3	110.1	E81 D82 V110	R79-E81 WeakPolarHBondContact CB-OE2 3.02Å; R79-E81 PolarHBondContact O-N 2.66Å; R79-D82 PolarHBondContact N-OD2 2.91Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.18Å; R79-V110 WeakPolarHBondContact O-CB 3.13Å; R79-V110 WeakPolarHBondContact O-CG2 3.21Å
80	S	92	Very high	96.3	Very high	69 Å²	69	36.3 Å²	36.3	48%	0.483	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-55.8	-35.3	177	47	0	0	0	0	111.6	D82 T83	S80-D82 PolarHBondContact O-N 2.99Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.03Å; S80-T83 PolarHBondContact O-N 2.9Å; S80-T83 VanDerWaalsContact O-N 3.08Å; S80-T83 PolarHBondContact O-OG1 3.48Å
81	E	92.6	Very high	96	Very high	124 Å²	124	35.5 Å²	35.5	58%	0.579	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-69.8	-11.7	178.5	-51	82	-172	0	0	113.6	R79	R79-E81 WeakPolarHBondContact CB-OE2 3.02Å; R79-E81 PolarHBondContact O-N 2.66Å
82	D	95.1	Very high	95.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-83.9	-0.8	173	-59.8	-47.8	0	0	0	112.6	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 2.9Å; R30-D82 PolarHBondContact NH1-OD1 3.02Å; R59-D82 IonicContact CZ-OD1 3.88Å; R59-D82 IonicContact CZ-OD2 3.45Å; R59-D82 IonicContact NH1-OD1 3.81Å; R59-D82 IonicContact NH1-OD2 2.68Å; R59-D82 PolarHBondContact NH1-OD2 3.05Å; R59-D82 IonicContact NH2-OD1 3Å; R59-D82 PolarHBondContact NH2-OD1 2.89Å; R59-D82 IonicContact NH2-OD2 3.31Å; R59-D82 PolarHBondContact NH2-OD2 3.3Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; R79-D82 PolarHBondContact N-OD2 2.91Å; R79-D82 WeakPolarHBondContact O-CB 3.32Å; R79-D82 PolarHBondContact O-N 3.18Å; S80-D82 PolarHBondContact O-N 2.99Å; D82-A84 PolarHBondContact O-N 3.01Å; D82-Y86 VanDerWaalsContact O-CE2 3.27Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.02Å
83	T	95.6	Very high	94.3	Very high	37 Å²	37	40.8 Å²	40.8	23%	0.227	22%	0.215	C	C	.	.			trans	-65.6	111.8	172.6	-64.9	0	0	0	0	110.5	S80 V108 T109 V110	S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.03Å; S80-T83 PolarHBondContact O-N 2.9Å; S80-T83 VanDerWaalsContact O-N 3.08Å; S80-T83 PolarHBondContact O-OG1 3.48Å; T83-V108 WeakPolarHBondContact CA-O 3.35Å; T83-T109 HydrophobicContact CG2-CG2 4.42Å; T83-V110 PolarHBondContact OG1-N 3.2Å; T83-V110 PolarHBondContact OG1-O 3.11Å
84	A	96.7	Very high	93.1	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	167.8	-176.6	0	0	0	0	0	111.1	R30 Q31 A32 D82 Y86 V108	R30-A84 HydrophobicContact CB-CB 3.9Å; R30-A84 HydrophobicContact CG-CB 4.22Å; Q31-A84 WeakPolarHBondContact O-CA 3.48Å; Q31-A84 WeakPolarHBondContact O-CB 3.27Å; A32-A84 HydrophobicContact CB-CB 4.47Å; D82-A84 PolarHBondContact O-N 3.01Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; A84-V108 PolarHBondContact N-O 3Å; A84-V108 VanDerWaalsContact N-O 3.07Å; A84-V108 PolarHBondContact O-N 2.84Å
85	M	97.6	Very high	92.2	Very high	62 Å²	62	44 Å²	44	31%	0.305	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.3	160	-163.6	64.1	61.9	0	0	109	R30 Q31 Y87 S107	R30-M85 CarbonylContact C-O 3.45Å; R30-M85 WeakPolarHBondContact CA-O 3.43Å; Q31-M85 PolarHBondContact N-O 3.11Å; Q31-M85 PolarHBondContact O-N 2.82Å; M85-Y87 HydrophobicContact CB-CE2 3.74Å; M85-Y87 HydrophobicContact CG-CD2 4.5Å; M85-Y87 HydrophobicContact CG-CE1 3.87Å; M85-Y87 HydrophobicContact CG-CE2 3.67Å; M85-Y87 WeakPolarHBondContact CG-OH 3.45Å; M85-S107 PolarHBondContact SD-N 2.99Å
86	Y	97.9	Very high	91	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.8	-178.8	-74.9	-102.2	0	0	0	110.8	L12 V29 R30 V40 F60 L73 M75 D82 A84 G105 T106 V108	L12-Y86 HydrophobicContact CD1-CD1 4.05Å; L12-Y86 HydrophobicContact CD1-CD2 4.29Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; V29-Y86 CarbonylContact O-C 3.49Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.41Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.36Å; R30-Y86 HydrophobicContact CB-CG 4.13Å; R30-Y86 WeakPolarHBondContact CD-OH 3.49Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 3.04Å; V40-Y86 HydrophobicContact CG2-CE1 4.33Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 4.14Å; L73-Y86 HydrophobicContact CD2-CE1 4.3Å; M75-Y86 HydrophobicContact SD-CE1 4.18Å; D82-Y86 VanDerWaalsContact O-CE2 3.27Å; D82-Y86 WeakPolarHBondContact O-CE2 3.45Å; D82-Y86 PolarHBondContact O-OH 2.02Å; A84-Y86 HydrophobicContact CB-CD2 4.23Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; Y86-G105 CarbonylContact O-C 3.52Å; Y86-G105 WeakPolarHBondContact O-CA 3.4Å; Y86-T106 PolarHBondContact N-O 3.28Å; Y86-T106 PolarHBondContact O-N 3.19Å; Y86-V108 HydrophobicContact CD2-CB 3.85Å; Y86-V108 HydrophobicContact CD2-CG2 3.53Å; Y86-V108 HydrophobicContact CE2-CB 3.71Å; Y86-V108 HydrophobicContact CE2-CG1 4.39Å; Y86-V108 HydrophobicContact CE2-CG2 3.82Å; Y86-V108 HydrophobicContact CG-CG2 4.37Å
87	Y	97.8	Very high	90	Very high	45 Å²	45	57.7 Å²	57.7	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.1	-178.5	-53.1	-89.9	0	0	0	110	W28 V29 Q31 L37 M85 W102 G103	W28-Y87 WeakPolarHBondContact CA-O 3.4Å; W28-Y87 VanDerWaalsContact CE3-O 3.3Å; V29-Y87 PolarHBondContact N-O 2.96Å; V29-Y87 PolarHBondContact O-N 3.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.98Å; L37-Y87 HydrophobicContact CD2-CD2 4.33Å; L37-Y87 HydrophobicContact CD2-CE2 4.37Å; M85-Y87 HydrophobicContact CB-CE2 3.74Å; M85-Y87 HydrophobicContact CG-CD2 4.5Å; M85-Y87 HydrophobicContact CG-CE1 3.87Å; M85-Y87 HydrophobicContact CG-CE2 3.67Å; M85-Y87 WeakPolarHBondContact CG-OH 3.45Å; Y87-W102 HydrophobicContact CG-CE3 4.41Å; Y87-G103 WeakPolarHBondContact CD1-O 3.4Å
88	C	97	Very high	89.3	Confident	10 Å²	10	56.1 Å²	56.1	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.8	162.5	53.7	0	0	0	0	109.3	C14 H27 W28 L71 G103	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.47Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.28Å; H27-C88 WeakPolarHBondContact O-CA 3.22Å; W28-C88 HydrophobicContact CE3-CB 4.49Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.39Å; L71-C88 HydrophobicContact CD2-CB 3.97Å; C88-G103 PolarHBondContact O-N 2.82Å
89	A	96.3	Very high	89	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.9	175.3	0	0	0	0	0	111.6	M26 H27 M99 Y101 W102	M26-A89 CarbonylContact C-O 3.57Å; M26-A89 WeakPolarHBondContact CA-O 3.35Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 PolarHBondContact N-O 3.13Å; H27-A89 PolarHBondContact O-N 2.82Å; A89-M99 HydrophobicContact CB-CB 4.13Å; A89-M99 HydrophobicContact CB-CG 4.21Å; A89-M99 HydrophobicContact CB-SD 3.8Å; A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 WeakPolarHBondContact CA-O 3.36Å; A89-W102 HydrophobicContact CB-CD2 3.82Å; A89-W102 HydrophobicContact CB-CE3 4.03Å; A89-W102 HydrophobicContact CB-CG 4.26Å; A89-W102 HydrophobicContact CB-CH2 4.48Å; A89-W102 HydrophobicContact CB-CZ2 4.29Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å
90	R	94.6	Very high	88.6	Confident	36 Å²	36	55.4 Å²	55.4	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.6	175.2	-175.4	-174.7	75.1	174.3	3.1	110	F19 F24 M26 M99 D100 Y101	F19-R90 HydrophobicContact CE2-CG 4.08Å; F19-R90 HydrophobicContact CZ-CB 4.3Å; F19-R90 HydrophobicContact CZ-CG 4.3Å; F24-R90 HydrophobicContact CB-CG 3.59Å; F24-R90 HydrophobicContact CD1-CG 3.89Å; F24-R90 HydrophobicContact CG-CG 3.82Å; M26-R90 HydrophobicContact CE-CB 4.45Å; M26-R90 HydrophobicContact SD-CB 4.13Å; M26-R90 HydrophobicContact SD-CG 4.2Å; R90-M99 VanDerWaalsContact O-CA 3.28Å; R90-M99 WeakPolarHBondContact O-CA 3.28Å; R90-D100 IonicContact CZ-OD1 3.5Å; R90-D100 IonicContact CZ-OD2 3.65Å; R90-D100 IonicContact NE-OD1 2.99Å; R90-D100 PolarHBondContact NE-OD1 2.84Å; R90-D100 IonicContact NE-OD2 3.85Å; R90-D100 IonicContact NH2-OD1 3.18Å; R90-D100 PolarHBondContact NH2-OD1 2.76Å; R90-D100 IonicContact NH2-OD2 2.66Å; R90-D100 PolarHBondContact NH2-OD2 2.98Å; R90-D100 PolarHBondContact O-N 2.79Å; R90-Y101 PolarHBondContact N-O 3.18Å
91	S	90.9	Very high	88.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.1	163.4	42.2	0	0	0	0	112.5	F24 G25 H27 A98	F24-S91 WeakPolarHBondContact CD1-O 3.2Å; G25-S91 PolarHBondContact O-N 3.25Å; G25-S91 PolarHBondContact O-OG 2.91Å; H27-S91 WeakPolarHBondContact NE2-CB 3.5Å; H27-S91 PolarHBondContact NE2-OG 3.18Å; S91-A98 WeakPolarHBondContact CA-O 3.38Å
92	L	84.1	Confident	88.7	Confident	60 Å²	60	55.6 Å²	55.6	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	146.2	173.9	-72.8	174	0	0	0	111.4	G94 I95 A98 D100	L92-G94 PolarHBondContact O-N 3.09Å; L92-I95 HydrophobicContact CB-CB 4.29Å; L92-I95 CarbonylContact O-C 3.56Å; L92-I95 PolarHBondContact O-N 2.78Å; L92-A98 PolarHBondContact N-O 2.87Å; L92-D100 WeakPolarHBondContact CD2-OD2 3.41Å
93	P	77.5	Confident	88.6	Confident	88 Å²	88	56.5 Å²	56.5	57%	0.571	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	125.1	176.3	-22.8	34.6	0	0	0	110.6	F24 I95	F24-P93 HydrophobicContact CD1-CG 3.9Å; F24-P93 HydrophobicContact CE1-CG 3.77Å; P93-I95 VanDerWaalsContact C-N 3.27Å; P93-I95 PolarHBondContact O-N 2.85Å
94	G	74.3	Confident	88.6	Confident	59 Å²	59	63.9 Å²	63.9	61%	0.608	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-4.8	-178.8	0	0	0	0	0	115.7	L92	L92-G94 PolarHBondContact O-N 3.09Å
95	I	79.4	Confident	88.5	Confident	66 Å²	66	65.1 Å²	65.1	34%	0.338	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	84.8	179.2	-48.8	179.5	0	0	0	109.9	L92 P93 Y97 A98	L92-I95 HydrophobicContact CB-CB 4.29Å; L92-I95 CarbonylContact O-C 3.56Å; L92-I95 PolarHBondContact O-N 2.78Å; P93-I95 VanDerWaalsContact C-N 3.27Å; P93-I95 PolarHBondContact O-N 2.85Å; I95-Y97 VanDerWaalsContact C-N 3.26Å; I95-Y97 HydrophobicContact CG2-CD2 3.82Å; I95-Y97 HydrophobicContact CG2-CE1 4.38Å; I95-Y97 HydrophobicContact CG2-CE2 3.45Å; I95-Y97 VanDerWaalsContact CG2-CE2 3.45Å; I95-Y97 HydrophobicContact CG2-CG 4.43Å; I95-Y97 PolarHBondContact O-N 3.47Å; I95-A98 HydrophobicContact CB-CB 4.37Å; I95-A98 HydrophobicContact CG2-CB 3.58Å; I95-A98 PolarHBondContact O-N 3.49Å
96	Y	72.3	Confident	88.4	Confident	140 Å²	140	64.3 Å²	64.3	55%	0.549	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-12.8	-172.2	-50.9	-69.5	0	0	0	115.2	H27 Y42	H27-Y96 PolarHBondContact CE1-O 2.81Å; Y42-Y96 HydrophobicContact CE1-CD1 4.48Å; Y42-Y96 HydrophobicContact CE2-CD1 4.4Å; Y42-Y96 AromaticContact CZ-CD1 3.82Å; Y42-Y96 VanDerWaalsContact OH-CD1 3.24Å; Y42-Y96 WeakPolarHBondContact OH-CD1 3.46Å; Y42-Y96 VanDerWaalsContact OH-CE1 3.3Å; Y42-Y96 WeakPolarHBondContact OH-CE1 3.41Å
97	Y	73.5	Confident	88.2	Confident	200 Å²	200	66.4 Å²	66.4	78%	0.784	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	-8.8	-179.2	42.6	-96.2	0	0	0	113.6	I95	I95-Y97 VanDerWaalsContact C-N 3.26Å; I95-Y97 HydrophobicContact CG2-CD2 3.82Å; I95-Y97 HydrophobicContact CG2-CE1 4.38Å; I95-Y97 HydrophobicContact CG2-CE2 3.45Å; I95-Y97 VanDerWaalsContact CG2-CE2 3.45Å; I95-Y97 HydrophobicContact CG2-CG 4.43Å; I95-Y97 PolarHBondContact O-N 3.47Å
98	A	81.4	Confident	88.1	Confident	34 Å²	34	64.3 Å²	64.3	28%	0.281	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.3	177.5	0	0	0	0	0	110.1	S91 L92 I95	S91-A98 WeakPolarHBondContact CA-O 3.38Å; L92-A98 PolarHBondContact N-O 2.87Å; I95-A98 HydrophobicContact CB-CB 4.37Å; I95-A98 HydrophobicContact CG2-CB 3.58Å; I95-A98 PolarHBondContact O-N 3.49Å
99	M	88.2	Confident	88	Confident	49 Å²	49	66.4 Å²	66.4	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107	178.2	-62.2	178.8	-157.5	0	0	110.6	H27 V29 A89 R90 W102	H27-M99 HydrophobicContact CB-CE 4.05Å; H27-M99 HydrophobicContact CB-SD 4.18Å; H27-M99 WeakPolarHBondContact ND1-CE 3.2Å; V29-M99 HydrophobicContact CG2-CE 4.3Å; V29-M99 HydrophobicContact CG2-SD 3.87Å; A89-M99 HydrophobicContact CB-CB 4.13Å; A89-M99 HydrophobicContact CB-CG 4.21Å; A89-M99 HydrophobicContact CB-SD 3.8Å; R90-M99 VanDerWaalsContact O-CA 3.28Å; R90-M99 WeakPolarHBondContact O-CA 3.28Å; M99-W102 HydrophobicContact CB-CZ2 3.79Å; M99-W102 HydrophobicContact CG-CZ2 4.4Å; M99-W102 PolarHBondContact O-NE1 2.78Å; M99-W102 VanDerWaalsContact O-NE1 3.16Å; M99-W102 HydrophobicContact SD-CH2 3.96Å; M99-W102 HydrophobicContact SD-CZ2 3.72Å
100	D	86.9	Confident	87.7	Confident	75 Å²	75	66.7 Å²	66.7	40%	0.401	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-19.2	-171	66.6	-15.9	0	0	0	114.2	R90 L92	R90-D100 IonicContact CZ-OD1 3.5Å; R90-D100 IonicContact CZ-OD2 3.65Å; R90-D100 IonicContact NE-OD1 2.99Å; R90-D100 PolarHBondContact NE-OD1 2.84Å; R90-D100 IonicContact NE-OD2 3.85Å; R90-D100 IonicContact NH2-OD1 3.18Å; R90-D100 PolarHBondContact NH2-OD1 2.76Å; R90-D100 IonicContact NH2-OD2 2.66Å; R90-D100 PolarHBondContact NH2-OD2 2.98Å; R90-D100 PolarHBondContact O-N 2.79Å; L92-D100 WeakPolarHBondContact CD2-OD2 3.41Å
101	Y	90.1	Very high	87.2	Confident	104 Å²	104	66.9 Å²	66.9	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130	178	-167.7	-90	0	0	0	111.2	F19 A89 R90	F19-Y101 AromaticContact CE1-CD1 3.9Å; F19-Y101 HydrophobicContact CE1-CD1 3.9Å; F19-Y101 HydrophobicContact CE1-CE1 4.1Å; F19-Y101 HydrophobicContact CE1-CG 4.42Å; A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 WeakPolarHBondContact CA-O 3.36Å; R90-Y101 PolarHBondContact N-O 3.18Å
102	W	94.9	Very high	85.9	Confident	92 Å²	92	74 Å²	74	35%	0.348	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.4	-175	-68.2	73.6	0	0	0	111.4	V29 L37 Y87 A89 M99	V29-W102 HydrophobicContact CB-CH2 3.98Å; V29-W102 HydrophobicContact CB-CZ3 3.68Å; V29-W102 HydrophobicContact CG1-CH2 3.86Å; V29-W102 HydrophobicContact CG1-CZ3 3.79Å; V29-W102 HydrophobicContact CG2-CH2 3.74Å; V29-W102 HydrophobicContact CG2-CZ3 3.85Å; L37-W102 HydrophobicContact CD1-CH2 3.97Å; L37-W102 HydrophobicContact CD1-CZ3 4.3Å; L37-W102 HydrophobicContact CD2-CZ3 4.18Å; Y87-W102 HydrophobicContact CG-CE3 4.41Å; A89-W102 HydrophobicContact CB-CD2 3.82Å; A89-W102 HydrophobicContact CB-CE3 4.03Å; A89-W102 HydrophobicContact CB-CG 4.26Å; A89-W102 HydrophobicContact CB-CH2 4.48Å; A89-W102 HydrophobicContact CB-CZ2 4.29Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å; M99-W102 HydrophobicContact CB-CZ2 3.79Å; M99-W102 HydrophobicContact CG-CZ2 4.4Å; M99-W102 PolarHBondContact O-NE1 2.78Å; M99-W102 VanDerWaalsContact O-NE1 3.16Å; M99-W102 HydrophobicContact SD-CH2 3.96Å; M99-W102 HydrophobicContact SD-CZ2 3.72Å
103	G	94.8	Very high	86	Confident	22 Å²	22	74.7 Å²	74.7	23%	0.227	41%	0.413	C	S	.	.			trans	-74.5	165.6	170.7	0	0	0	0	0	112.5	Y87 C88 G105	Y87-G103 WeakPolarHBondContact CD1-O 3.4Å; C88-G103 PolarHBondContact O-N 2.82Å; G103-G105 PolarHBondContact O-N 3.07Å; G103-G105 VanDerWaalsContact O-N 3.13Å
104	Q	93.7	Very high	86.4	Confident	192 Å²	192	74 Å²	74	90%	0.897	41%	0.405	S	S	*	.			trans	-65.4	-15	-179.2	-66.3	-64.9	-31.2	0	0	114.4
105	G	94.5	Very high	87.1	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	39%	0.394	S	S	.	.			trans	89	156.6	-177.6	0	0	0	0	0	113.4	Y86 G103	Y86-G105 CarbonylContact O-C 3.52Å; Y86-G105 WeakPolarHBondContact O-CA 3.4Å; G103-G105 PolarHBondContact O-N 3.07Å; G103-G105 VanDerWaalsContact O-N 3.13Å
106	T	95.6	Very high	87.6	Confident	46 Å²	46	75.4 Å²	75.4	28%	0.282	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.2	172.6	-157.8	0	0	0	0	111.1	L12 Y86	L12-T106 HydrophobicContact CD1-CG2 3.85Å; L12-T106 HydrophobicContact CD2-CG2 3.84Å; L12-T106 HydrophobicContact CG-CG2 4.28Å; Y86-T106 PolarHBondContact N-O 3.28Å; Y86-T106 PolarHBondContact O-N 3.19Å
107	S	95.3	Very high	88.5	Confident	45 Å²	45	71.3 Å²	71.3	32%	0.315	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.3	-178.8	-164.4	0	0	0	0	110.7	G1 R10 M85	G1-S107 WeakPolarHBondContact CA-O 3.42Å; R10-S107 PolarHBondContact NH1-O 3.05Å; R10-S107 PolarHBondContact NH2-O 3.01Å; R10-S107 VanDerWaalsContact NH2-O 3.13Å; M85-S107 PolarHBondContact SD-N 2.99Å
108	V	94.9	Very high	89.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.6	169.9	-178.2	0	0	0	0	107.8	L12 M75 T83 A84 Y86 V110	L12-V108 HydrophobicContact CD1-CG2 3.99Å; L12-V108 HydrophobicContact CD2-CG2 3.83Å; L12-V108 HydrophobicContact CG-CG2 4.49Å; M75-V108 HydrophobicContact CE-CG1 4.1Å; M75-V108 HydrophobicContact CE-CG2 4.02Å; T83-V108 WeakPolarHBondContact CA-O 3.35Å; A84-V108 PolarHBondContact N-O 3Å; A84-V108 VanDerWaalsContact N-O 3.07Å; A84-V108 PolarHBondContact O-N 2.84Å; Y86-V108 HydrophobicContact CD2-CB 3.85Å; Y86-V108 HydrophobicContact CD2-CG2 3.53Å; Y86-V108 HydrophobicContact CE2-CB 3.71Å; Y86-V108 HydrophobicContact CE2-CG1 4.39Å; Y86-V108 HydrophobicContact CE2-CG2 3.82Å; Y86-V108 HydrophobicContact CG-CG2 4.37Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å
109	T	94.1	Very high	90.1	Very high	54 Å²	54	64.8 Å²	64.8	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.8	178.5	-53.9	0	0	0	0	108	V4 T83	V4-T109 PolarHBondContact N-O 2.78Å; T83-T109 HydrophobicContact CG2-CG2 4.42Å
110	V	90.9	Very high	90.3	Very high	8 Å²	8	66 Å²	66	5%	0.048	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.2	177.2	-172.7	0	0	0	0	107.6	V4 P6 L78 R79 T83 V108	V4-V110 VanDerWaalsContact O-CA 3.29Å; V4-V110 WeakPolarHBondContact O-CA 3.46Å; P6-V110 HydrophobicContact CB-CG1 4.47Å; P6-V110 HydrophobicContact CG-CG1 4.18Å; L78-V110 HydrophobicContact CB-CG1 4.39Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.44Å; L78-V110 HydrophobicContact CD2-CG2 4.29Å; R79-V110 WeakPolarHBondContact O-CB 3.13Å; R79-V110 WeakPolarHBondContact O-CG2 3.21Å; T83-V110 PolarHBondContact OG1-N 3.2Å; T83-V110 PolarHBondContact OG1-O 3.11Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å
111	S	83.3	Confident	90.5	Very high	40 Å²	40	65.3 Å²	65.3	28%	0.28	38%	0.375	S	S	.	.			trans	-124.7	133.9	-177.2	59.9	0	0	0	0	109.9	L3 V4 Q5 P6	L3-S111 VanDerWaalsContact CD1-OG 3.29Å; L3-S111 WeakPolarHBondContact CD1-OG 3.24Å; L3-S111 WeakPolarHBondContact CG-OG 3.17Å; V4-S111 PolarHBondContact O-N 3.41Å; Q5-S111 PolarHBondContact OE1-O 2.79Å; P6-S111 WeakPolarHBondContact CD-O 3.25Å
112	S	64.2	Low	90.6	Very high	150 Å²	150	61.7 Å²	61.7	100%	1.049	37%	0.372	S	S	*	.			trans	-63.3	0	167.4	56.1	0	0	0	0	112.1

Retrieved 112 of 112 residues in 23.3 ms (Link to these results)

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