X5J5L1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5L1_MOUSE|X5J5L1
GGLVQPGGSLKLSCAASGIDFSRYWMSWVRRAPGKGLEWIGEINPDSSTINYAPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARVGIYSNSFDYWGQGTTLTVS
					

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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	59.4	Low	84.9	Confident	95 Å²	95	71.1 Å²	71.1	98%	0.979	48%	0.476	S	S	*	.				0	152.3	0	0	0	0	0	0	109.4	T106	G1-T106 CarbonylContact C-O 3.44Å; G1-T106 WeakPolarHBondContact CA-O 3.11Å
2	G	73.1	Confident	85.9	Confident	34 Å²	34	66.9 Å²	66.9	35%	0.351	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.9	-176.9	0	0	0	0	0	111.6	T106 T108	G2-T106 PolarHBondContact N-O 3.31Å; G2-T106 VanDerWaalsContact N-O 3.14Å; G2-T108 PolarHBondContact O-N 3.19Å
3	L	80.6	Confident	86.7	Confident	122 Å²	122	67.7 Å²	67.7	64%	0.639	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.1	166	-176	66.1	0	0	0	107.9	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.23Å; L3-T108 HydrophobicContact CD1-CG2 3.85Å; L3-S110 VanDerWaalsContact CD1-OG 3.31Å; L3-S110 WeakPolarHBondContact CD1-OG 3.26Å
4	V	86.6	Confident	87.3	Confident	34 Å²	34	64.3 Å²	64.3	21%	0.206	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139	-177.6	-174.4	0	0	0	0	110.1	L10 V78 L107 T108 V109 S110	V4-L10 HydrophobicContact CB-CD2 4.17Å; V4-L10 HydrophobicContact CG1-CD2 4.23Å; V4-L10 HydrophobicContact CG2-CD2 3.75Å; V4-V78 HydrophobicContact CB-CG2 4.49Å; V4-V78 HydrophobicContact CG1-CG2 3.91Å; V4-L107 HydrophobicContact CB-CD1 4.47Å; V4-L107 HydrophobicContact CG2-CD1 3.97Å; V4-T108 PolarHBondContact N-O 3.28Å; V4-V109 WeakPolarHBondContact O-CA 3.34Å; V4-S110 PolarHBondContact O-N 3Å
5	Q	88.1	Confident	87.9	Confident	125 Å²	125	65.1 Å²	65.1	58%	0.584	44%	0.443	S	S	*	.			trans	-70	142.9	175.8	-70.1	-62.4	-55.6	0	0	111	G8 S110	Q5-G8 PolarHBondContact O-N 3.02Å; Q5-S110 PolarHBondContact NE2-O 3.4Å
6	P	91.1	Very high	88.1	Confident	70 Å²	70	62.3 Å²	62.3	46%	0.455	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	143.9	173.2	-24.7	32.6	0	0	0	112.5	G8 V78 V109	P6-G8 PolarHBondContact O-N 3.29Å; P6-V78 CarbonylContact C-O 3.58Å; P6-V78 WeakPolarHBondContact CA-O 3.35Å; P6-V109 HydrophobicContact CB-CG1 4.34Å; P6-V109 HydrophobicContact CG-CG1 4.03Å
7	G	88.9	Confident	88.2	Confident	52 Å²	52	65.1 Å²	65.1	54%	0.536	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-10.9	-178.6	0	0	0	0	0	114.7	V78	G7-V78 PolarHBondContact N-O 2.95Å
8	G	88.6	Confident	88.1	Confident	26 Å²	26	66.4 Å²	66.4	27%	0.268	47%	0.472	S	S	.	.			trans	-70.2	175.5	175.2	0	0	0	0	0	114.1	Q5 P6 K77 V78	Q5-G8 PolarHBondContact O-N 3.02Å; P6-G8 PolarHBondContact O-N 3.29Å; G8-K77 WeakPolarHBondContact O-CA 3.31Å; G8-K77 PolarHBondContact O-N 2.95Å; G8-V78 PolarHBondContact O-N 3.15Å
9	S	90.7	Very high	87.9	Confident	82 Å²	82	64.7 Å²	64.7	57%	0.573	46%	0.456	S	S	*	.			trans	-123.5	146.3	171.3	-61.1	0	0	0	0	109.5	M75	S9-M75 CarbonylContact C-O 3.58Å; S9-M75 VanDerWaalsContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CA-O 3.42Å; S9-M75 WeakPolarHBondContact CB-O 2.93Å
10	L	92.3	Very high	87.9	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.141	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.3	177.5	71.4	99.1	0	0	0	111.1	V4 L12 M75 V78 L107	V4-L10 HydrophobicContact CB-CD2 4.17Å; V4-L10 HydrophobicContact CG1-CD2 4.23Å; V4-L10 HydrophobicContact CG2-CD2 3.75Å; L10-L12 HydrophobicContact CD1-CD2 3.49Å; L10-L12 VanDerWaalsContact CD1-CD2 3.49Å; L10-L12 HydrophobicContact CD1-CG 3.63Å; L10-M75 HydrophobicContact CD1-CG 4.38Å; L10-M75 HydrophobicContact CD1-SD 3.71Å; L10-M75 HydrophobicContact CD2-SD 4.45Å; L10-M75 HydrophobicContact CG-CB 4.32Å; L10-M75 HydrophobicContact CG-SD 4.15Å; L10-M75 PolarHBondContact N-O 3.42Å; L10-M75 PolarHBondContact O-N 2.98Å; L10-V78 HydrophobicContact CD2-CG1 3.82Å; L10-V78 HydrophobicContact CD2-CG2 4.49Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; L10-L107 HydrophobicContact CD1-CD1 4.4Å; L10-L107 HydrophobicContact CD1-CD2 4.4Å; L10-L107 HydrophobicContact CD2-CD1 3.41Å; L10-L107 VanDerWaalsContact CD2-CD1 3.41Å; L10-L107 HydrophobicContact CD2-CD2 3.74Å; L10-L107 HydrophobicContact CD2-CG 4.22Å
11	K	94.8	Very high	88.1	Confident	115 Å²	115	61.7 Å²	61.7	50%	0.5	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.3	176.8	-174.1	173.8	-180	174.8	0	109.3	Y72 L73	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 3.44Å
12	L	95.9	Very high	89.7	Confident	21 Å²	21	59.5 Å²	59.5	11%	0.11	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.2	170.8	-57.1	179.7	0	0	0	109.5	L10 W28 Y72 L73 M75 Y86 T105	L10-L12 HydrophobicContact CD1-CD2 3.49Å; L10-L12 VanDerWaalsContact CD1-CD2 3.49Å; L10-L12 HydrophobicContact CD1-CG 3.63Å; L12-W28 HydrophobicContact CB-CH2 3.93Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; L12-Y72 WeakPolarHBondContact O-CA 3.39Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 2.88Å; L12-M75 HydrophobicContact CD1-SD 4.09Å; L12-M75 HydrophobicContact CG-SD 4.32Å; L12-Y86 HydrophobicContact CD1-CD1 3.84Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.55Å; L12-T105 HydrophobicContact CD1-CG2 4.1Å; L12-T105 HydrophobicContact CD2-CG2 4.05Å
13	S	96.5	Very high	90.6	Very high	77 Å²	77	66.4 Å²	66.4	54%	0.538	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.7	173.2	57.9	0	0	0	0	110.6	L71	S13-L71 CarbonylContact C-O 3.44Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å
14	C	96.1	Very high	91.2	Very high	20 Å²	20	63.2 Å²	63.2	14%	0.135	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	109.6	169.8	163	0	0	0	0	108.5	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.96Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.94Å; C14-L71 PolarHBondContact O-N 2.98Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.19Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.08Å
15	A	95.1	Very high	91.6	Very high	77 Å²	77	65.4 Å²	65.4	64%	0.636	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.9	173.7	0	0	0	0	0	109.5
16	A	91.7	Very high	92	Very high	19 Å²	19	59.7 Å²	59.7	16%	0.157	37%	0.373	C	S	.	.			trans	-88	137.5	174	0	0	0	0	0	110.3	I19 F21 N69	A16-I19 HydrophobicContact CB-CD1 3.83Å; A16-I19 HydrophobicContact CB-CG1 3.81Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.54Å; A16-F21 HydrophobicContact CB-CE2 4.36Å; A16-F21 HydrophobicContact CB-CG 4.12Å; A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 2.81Å
17	S	89.8	Confident	92.3	Very high	110 Å²	110	56.4 Å²	56.4	77%	0.769	35%	0.351	S	S	*	.			trans	-133.1	144.2	173.7	60.5	0	0	0	0	109.4	I19	S17-I19 PolarHBondContact O-N 3.04Å
18	G	86	Confident	92.7	Very high	89 Å²	89	54 Å²	54	92%	0.918	33%	0.326	S	S	*	.	S	Bend	trans	71	11.3	178.4	0	0	0	0	0	115.9
19	I	84.8	Confident	93.1	Very high	34 Å²	34	53 Å²	53	17%	0.174	31%	0.314	C	S	.	.	S	Bend	trans	-131.2	152.9	175.3	64.9	170.5	0	0	0	110.8	A16 S17 F21 Y100	A16-I19 HydrophobicContact CB-CD1 3.83Å; A16-I19 HydrophobicContact CB-CG1 3.81Å; S17-I19 PolarHBondContact O-N 3.04Å; I19-F21 PolarHBondContact O-N 3.19Å; I19-Y100 HydrophobicContact CG2-CD1 3.81Å; I19-Y100 HydrophobicContact CG2-CE1 3.9Å; I19-Y100 HydrophobicContact CG2-CG 4.21Å
20	D	88.3	Confident	93.4	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	29%	0.291	S	S	.	.			trans	-77.3	68.2	172.6	-172.7	-4.7	0	0	0	111	S22 R23 Y24	D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 PolarHBondContact OD1-OG 3.5Å; D20-R23 PolarHBondContact O-N 2.99Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 WeakPolarHBondContact OD2-CD 3.41Å; D20-R23 VanDerWaalsContact OD2-CG 3.25Å; D20-R23 WeakPolarHBondContact OD2-CG 3.35Å; D20-R23 IonicContact OD2-NE 3.41Å; D20-R23 IonicContact OD2-NH1 3.37Å; D20-Y24 HydrophobicContact CB-CE2 4.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.42Å
21	F	92.4	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-47.3	-41.5	-176.4	177.5	-94	0	0	0	112.6	A16 I19 R23 Y24 M26 R64 N66 N69 T70 L71	A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.54Å; A16-F21 HydrophobicContact CB-CE2 4.36Å; A16-F21 HydrophobicContact CB-CG 4.12Å; I19-F21 PolarHBondContact O-N 3.19Å; F21-R23 PolarHBondContact O-N 2.86Å; F21-Y24 PolarHBondContact O-N 2.82Å; F21-M26 HydrophobicContact CD2-CE 3.89Å; F21-M26 HydrophobicContact CD2-CG 3.96Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CB 4.44Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-M26 HydrophobicContact CE2-CG 3.61Å; F21-M26 HydrophobicContact CE2-SD 4.07Å; F21-M26 HydrophobicContact CZ-CG 4.11Å; F21-R64 HydrophobicContact CE1-CB 4.17Å; F21-R64 HydrophobicContact CZ-CB 4.06Å; F21-R64 PolarHBondContact O-NH2 3.09Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.33Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 HydrophobicContact CD1-CB 4.33Å; F21-N69 HydrophobicContact CG-CB 4.19Å; F21-T70 VanDerWaalsContact CZ-C 3.48Å; F21-L71 HydrophobicContact CE2-CB 4.01Å; F21-L71 HydrophobicContact CZ-CB 4.04Å
22	S	92.4	Very high	93.6	Very high	49 Å²	49	49.5 Å²	49.5	34%	0.343	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.9	-175.2	77.8	0	0	0	0	114.6	D20 P45	D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 PolarHBondContact OD1-OG 3.5Å; S22-P45 WeakPolarHBondContact O-CB 3.37Å
23	R	92.5	Very high	93.6	Very high	179 Å²	179	53.4 Å²	53.4	68%	0.675	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-97.5	-13.1	-175.2	-75.6	-159.2	163.7	154.6	-16.4	115.3	D20 F21 P45	D20-R23 PolarHBondContact O-N 2.99Å; D20-R23 VanDerWaalsContact O-N 3.08Å; D20-R23 WeakPolarHBondContact OD2-CD 3.41Å; D20-R23 VanDerWaalsContact OD2-CG 3.25Å; D20-R23 WeakPolarHBondContact OD2-CG 3.35Å; D20-R23 IonicContact OD2-NE 3.41Å; D20-R23 IonicContact OD2-NH1 3.37Å; F21-R23 PolarHBondContact O-N 2.86Å; R23-P45 VanDerWaalsContact O-CG 3.31Å; R23-P45 WeakPolarHBondContact O-CG 3.33Å
24	Y	93.3	Very high	93.5	Very high	55 Å²	55	54.2 Å²	54.2	22%	0.216	33%	0.333	C	S	.	.	S	Bend	trans	-107.6	153.5	-174.9	-66.8	-86.6	0	0	0	112.3	D20 F21 R64 R90 I93	D20-Y24 HydrophobicContact CB-CE2 4.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.42Å; F21-Y24 PolarHBondContact O-N 2.82Å; Y24-R64 PolarHBondContact O-NH1 2.9Å; Y24-R90 HydrophobicContact CD1-CG 4.11Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.81Å; Y24-I93 HydrophobicContact CD1-CD1 3.88Å; Y24-I93 HydrophobicContact CD1-CG1 3.83Å; Y24-I93 HydrophobicContact CE1-CD1 3.4Å; Y24-I93 VanDerWaalsContact CE1-CD1 3.4Å; Y24-I93 HydrophobicContact CE1-CG1 3.68Å
25	W	95	Very high	93.3	Very high	80 Å²	80	59 Å²	59	30%	0.303	35%	0.352	S	S	.	.			trans	-66.3	142.4	160.8	-73.4	68	0	0	0	109.3	E42 I43 N44 T49 V91	W25-E42 HydrophobicContact CE3-CB 4.23Å; W25-E42 HydrophobicContact CE3-CG 3.55Å; W25-E42 HydrophobicContact CZ3-CG 3.68Å; W25-I43 WeakPolarHBondContact CA-O 3.18Å; W25-N44 HydrophobicContact CD2-CB 3.68Å; W25-N44 HydrophobicContact CE3-CB 3.98Å; W25-N44 HydrophobicContact CG-CB 4.36Å; W25-N44 HydrophobicContact CH2-CB 3.78Å; W25-N44 HydrophobicContact CZ2-CB 3.44Å; W25-N44 VanDerWaalsContact CZ2-CB 3.44Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; W25-T49 HydrophobicContact CH2-CG2 3.83Å; W25-T49 HydrophobicContact CZ3-CG2 4.43Å; W25-V91 HydrophobicContact CB-CB 3.88Å; W25-V91 HydrophobicContact CB-CG2 3.83Å; W25-V91 PolarHBondContact O-N 3.06Å
26	M	96.5	Very high	93.3	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.025	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.4	-177.5	-59.8	-58.4	-56.6	0	0	109.1	F21 E42 I43 L71 A89 R90	F21-M26 HydrophobicContact CD2-CE 3.89Å; F21-M26 HydrophobicContact CD2-CG 3.96Å; F21-M26 HydrophobicContact CD2-SD 3.9Å; F21-M26 HydrophobicContact CE2-CB 4.44Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-M26 HydrophobicContact CE2-CG 3.61Å; F21-M26 HydrophobicContact CE2-SD 4.07Å; F21-M26 HydrophobicContact CZ-CG 4.11Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 3.27Å; M26-E42 WeakPolarHBondContact O-CB 3.02Å; M26-I43 HydrophobicContact CB-CG2 4.33Å; M26-I43 PolarHBondContact N-O 2.95Å; M26-I43 PolarHBondContact O-N 2.79Å; M26-L71 HydrophobicContact CB-CD1 3.8Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.39Å; M26-A89 CarbonylContact C-O 3.48Å; M26-A89 WeakPolarHBondContact CA-O 3.33Å; M26-R90 HydrophobicContact CE-CB 4.32Å; M26-R90 HydrophobicContact SD-CB 4.16Å; M26-R90 HydrophobicContact SD-CG 4.15Å
27	S	96.9	Very high	93.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.3	-174.7	-51	0	0	0	0	112.1	G41 E42 C88 A89 V91 F98	S27-G41 CarbonylContact C-O 3.54Å; S27-G41 VanDerWaalsContact CA-O 3.24Å; S27-G41 WeakPolarHBondContact CA-O 3.4Å; S27-G41 WeakPolarHBondContact CB-O 3.35Å; S27-E42 VanDerWaalsContact OG-CB 3.32Å; S27-E42 WeakPolarHBondContact OG-CB 2.86Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.27Å; S27-C88 WeakPolarHBondContact O-CA 3.45Å; S27-A89 PolarHBondContact N-O 2.81Å; S27-A89 PolarHBondContact O-N 3.17Å; S27-V91 WeakPolarHBondContact OG-CG2 3.22Å; S27-F98 WeakPolarHBondContact OG-CE1 3.2Å
28	W	97.8	Very high	93.8	Very high	3 Å²	3	59 Å²	59	1%	0.011	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.9	163	-80	99.5	0	0	0	110.3	L12 C14 I40 G41 L71 Y72 L73 Y87	L12-W28 HydrophobicContact CB-CH2 3.93Å; L12-W28 HydrophobicContact CB-CZ2 4.33Å; L12-W28 HydrophobicContact CD1-CZ3 4.46Å; C14-W28 HydrophobicContact CB-CH2 3.96Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; W28-I40 HydrophobicContact CB-CB 4.03Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.12Å; W28-I40 PolarHBondContact O-N 3.41Å; W28-G41 PolarHBondContact N-O 2.7Å; W28-L71 HydrophobicContact CD2-CD2 4.34Å; W28-L71 HydrophobicContact CG-CD2 4.2Å; W28-L71 HydrophobicContact CZ2-CD2 4.44Å; W28-L71 HydrophobicContact CZ2-CG 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; W28-L71 VanDerWaalsContact NE1-CG 3.35Å; W28-Y72 PolarHBondContact NE1-O 3.05Å; W28-L73 HydrophobicContact CB-CD1 4.27Å; W28-L73 HydrophobicContact CB-CD2 4.45Å; W28-L73 HydrophobicContact CD2-CB 3.88Å; W28-L73 HydrophobicContact CD2-CD2 4.16Å; W28-L73 HydrophobicContact CD2-CG 4.44Å; W28-L73 HydrophobicContact CE3-CD2 4.36Å; W28-L73 HydrophobicContact CG-CB 4.13Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.2Å; W28-L73 HydrophobicContact CG-CG 4.35Å; W28-L73 HydrophobicContact CZ2-CB 3.98Å; W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å
29	V	97.3	Very high	94.2	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.4	176.9	-177.1	0	0	0	0	107.4	L37 E38 Y86 Y87 F98 W101	V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.44Å; V29-E38 CarbonylContact C-O 3.48Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y87 PolarHBondContact N-O 2.85Å; V29-Y87 PolarHBondContact O-N 2.82Å; V29-F98 HydrophobicContact CG2-CE2 4.09Å; V29-F98 HydrophobicContact CG2-CZ 4.35Å; V29-W101 HydrophobicContact CB-CH2 4.23Å; V29-W101 HydrophobicContact CB-CZ3 3.86Å; V29-W101 HydrophobicContact CG1-CH2 4.13Å; V29-W101 HydrophobicContact CG1-CZ3 4.05Å; V29-W101 HydrophobicContact CG2-CH2 3.91Å; V29-W101 HydrophobicContact CG2-CZ3 3.88Å
30	R	96.4	Very high	94.8	Very high	24 Å²	24	57.1 Å²	57.1	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159	173.2	67	177.5	-168.9	176.6	2.4	112.1	E38 I40 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 3.88Å; R30-E38 PolarHBondContact N-O 3.36Å; R30-E38 IonicContact NE-OE2 3.72Å; R30-E38 PolarHBondContact NE-OE2 3.24Å; R30-E38 IonicContact NH2-OE2 3.93Å; R30-E38 PolarHBondContact NH2-OE2 3.29Å; R30-E38 PolarHBondContact O-N 3.14Å; R30-I40 HydrophobicContact CB-CD1 4.02Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.08Å; R30-I40 HydrophobicContact CG-CG1 4.12Å; R30-D82 IonicContact NH1-OD1 3.32Å; R30-A84 HydrophobicContact CB-CB 4.1Å; R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.24Å; R30-Y86 HydrophobicContact CB-CD1 3.95Å; R30-Y86 HydrophobicContact CB-CE1 3.9Å; R30-Y86 HydrophobicContact CB-CG 4.35Å
31	R	96.9	Very high	95.2	Very high	115 Å²	115	53.9 Å²	53.9	43%	0.434	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	104.8	170.8	-170.3	170.6	63.5	179.7	1.6	109.6	K35 L37 A84 L85 Y87	R31-K35 WeakPolarHBondContact CG-O 3.07Å; R31-L37 HydrophobicContact CB-CD2 4.15Å; R31-A84 WeakPolarHBondContact O-CA 3.32Å; R31-A84 WeakPolarHBondContact O-CB 3.49Å; R31-L85 PolarHBondContact N-O 3.03Å; R31-L85 PolarHBondContact O-N 3.08Å; R31-Y87 HydrophobicContact CB-CE2 4.18Å; R31-Y87 PolarHBondContact NH2-OH 2.97Å
32	A	95.1	Very high	95.4	Very high	13 Å²	13	55.5 Å²	55.5	11%	0.107	29%	0.294	C	S	.	.			trans	-72.5	155	173.2	0	0	0	0	0	110.5	G34 K35 A84	A32-G34 PolarHBondContact O-N 2.82Å; A32-K35 HydrophobicContact CB-CB 4.18Å; A32-K35 HydrophobicContact CB-CD 4.04Å; A32-K35 HydrophobicContact CB-CG 4.14Å; A32-K35 PolarHBondContact O-N 3.09Å; A32-A84 HydrophobicContact CB-CB 4.39Å
33	P	94.2	Very high	95.6	Very high	103 Å²	103	53.3 Å²	53.3	67%	0.669	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.5	174.5	-25.9	34.4	0	0	0	111.6	K35 T83	P33-K35 PolarHBondContact O-N 2.88Å; P33-T83 VanDerWaalsContact CD-O 3.23Å; P33-T83 WeakPolarHBondContact CD-O 3.4Å; P33-T83 HydrophobicContact CG-CG2 4.5Å
34	G	94.5	Very high	95.8	Very high	93 Å²	93	45.4 Å²	45.4	96%	0.959	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	5.7	-179.4	0	0	0	0	0	115.7	A32	A32-G34 PolarHBondContact O-N 2.82Å
35	K	93.6	Very high	95.9	Very high	121 Å²	121	44.4 Å²	44.4	53%	0.526	25%	0.25	S	C	.	.			trans	-113.3	162.6	177.8	-61.7	-161.2	-178.1	-178.5	0	112.9	R31 A32 P33 E38	R31-K35 WeakPolarHBondContact CG-O 3.07Å; A32-K35 HydrophobicContact CB-CB 4.18Å; A32-K35 HydrophobicContact CB-CD 4.04Å; A32-K35 HydrophobicContact CB-CG 4.14Å; A32-K35 PolarHBondContact O-N 3.09Å; P33-K35 PolarHBondContact O-N 2.88Å; K35-E38 WeakPolarHBondContact CD-OE1 3.44Å; K35-E38 IonicContact NZ-OE1 3.54Å
36	G	94.7	Very high	95.9	Very high	53 Å²	53	45.9 Å²	45.9	55%	0.546	26%	0.263	S	S	.	.			trans	-71.6	-176.6	169	0	0	0	0	0	113	E38	G36-E38 PolarHBondContact O-N 2.81Å
37	L	95.1	Very high	96	Very high	100 Å²	100	48.2 Å²	48.2	52%	0.524	28%	0.28	S	S	.	.			trans	-70.1	127.5	171.6	-67.6	170.4	0	0	0	109.8	V29 R31 Y87 W101	V29-L37 HydrophobicContact CG1-CB 3.94Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.44Å; R31-L37 HydrophobicContact CB-CD2 4.15Å; L37-Y87 HydrophobicContact CD2-CD2 4.32Å; L37-Y87 HydrophobicContact CD2-CE2 4.09Å; L37-W101 HydrophobicContact CD1-CH2 4.13Å
38	E	95.6	Very high	96	Very high	53 Å²	53	52.3 Å²	52.3	25%	0.248	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.8	174.3	-69.5	179.7	-171.2	0	0	108.8	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.48Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 3.88Å; R30-E38 PolarHBondContact N-O 3.36Å; R30-E38 IonicContact NE-OE2 3.72Å; R30-E38 PolarHBondContact NE-OE2 3.24Å; R30-E38 IonicContact NH2-OE2 3.93Å; R30-E38 PolarHBondContact NH2-OE2 3.29Å; R30-E38 PolarHBondContact O-N 3.14Å; K35-E38 WeakPolarHBondContact CD-OE1 3.44Å; K35-E38 IonicContact NZ-OE1 3.54Å; G36-E38 PolarHBondContact O-N 2.81Å
39	W	95.9	Very high	95.9	Very high	83 Å²	83	54.9 Å²	54.9	31%	0.314	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.3	172.9	178.7	78.3	0	0	0	110.4	G41 E42 N51 Y52 A53 F98	W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-G41 PolarHBondContact NE1-O 2.75Å; W39-E42 HydrophobicContact CZ2-CB 4.08Å; W39-E42 HydrophobicContact CZ2-CG 3.77Å; W39-N51 HydrophobicContact CH2-CB 3.92Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; W39-Y52 VanDerWaalsContact CZ3-C 3.44Å; W39-A53 HydrophobicContact CE3-CB 3.93Å; W39-A53 HydrophobicContact CZ3-CB 4.22Å; W39-A53 VanDerWaalsContact CZ3-N 3.27Å; W39-A53 VanDerWaalsContact O-CB 3.27Å; W39-A53 WeakPolarHBondContact O-CB 2.97Å; W39-F98 AromaticContact CD1-CZ 3.55Å; W39-F98 AromaticContact NE1-CZ 3.94Å
40	I	96.7	Very high	95.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-46.5	179.7	-63.8	-177.9	0	0	0	110.8	W28 R30 Y52 A53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.03Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.12Å; W28-I40 PolarHBondContact O-N 3.41Å; R30-I40 HydrophobicContact CB-CD1 4.02Å; R30-I40 HydrophobicContact CB-CG1 4.46Å; R30-I40 HydrophobicContact CG-CD1 4.08Å; R30-I40 HydrophobicContact CG-CG1 4.12Å; I40-Y52 WeakPolarHBondContact O-CA 3.1Å; I40-A53 PolarHBondContact O-N 2.66Å; I40-L56 HydrophobicContact CB-CD1 4.47Å; I40-L56 HydrophobicContact CG1-CD1 4.05Å; I40-F60 HydrophobicContact CD1-CD2 4.39Å; I40-F60 HydrophobicContact CD1-CE2 4.27Å; I40-F60 HydrophobicContact CG2-CB 4.12Å; I40-F60 HydrophobicContact CG2-CD2 3.48Å; I40-F60 VanDerWaalsContact CG2-CD2 3.48Å; I40-F60 HydrophobicContact CG2-CE2 4.24Å; I40-F60 HydrophobicContact CG2-CG 4.08Å; I40-L73 HydrophobicContact CD1-CD2 3.82Å; I40-L73 HydrophobicContact CG2-CD1 4.19Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.62Å
41	G	96.4	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	176.1	-171.4	0	0	0	0	0	111.8	S27 W28 W39 N51	S27-G41 CarbonylContact C-O 3.54Å; S27-G41 VanDerWaalsContact CA-O 3.24Å; S27-G41 WeakPolarHBondContact CA-O 3.4Å; S27-G41 WeakPolarHBondContact CB-O 3.35Å; W28-G41 PolarHBondContact N-O 2.7Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-G41 PolarHBondContact NE1-O 2.75Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.41Å
42	E	96.6	Very high	95.8	Very high	34 Å²	34	56.7 Å²	56.7	16%	0.159	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.3	-179.6	68.8	-171.7	175.6	0	0	111.9	W25 M26 S27 W39 I50 N51	W25-E42 HydrophobicContact CE3-CB 4.23Å; W25-E42 HydrophobicContact CE3-CG 3.55Å; W25-E42 HydrophobicContact CZ3-CG 3.68Å; M26-E42 CarbonylContact O-C 3.42Å; M26-E42 WeakPolarHBondContact O-CA 3.27Å; M26-E42 WeakPolarHBondContact O-CB 3.02Å; S27-E42 VanDerWaalsContact OG-CB 3.32Å; S27-E42 WeakPolarHBondContact OG-CB 2.86Å; W39-E42 HydrophobicContact CZ2-CB 4.08Å; W39-E42 HydrophobicContact CZ2-CG 3.77Å; E42-I50 VanDerWaalsContact O-CA 3.32Å; E42-I50 WeakPolarHBondContact O-CA 3.01Å; E42-I50 VanDerWaalsContact O-CG2 3.31Å; E42-I50 WeakPolarHBondContact O-CG2 3.23Å; E42-N51 HydrophobicContact CG-CB 4.02Å; E42-N51 PolarHBondContact N-O 3Å; E42-N51 PolarHBondContact O-N 2.81Å; E42-N51 PolarHBondContact OE1-ND2 2.63Å
43	I	97.5	Very high	95.8	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.8	-179.9	-175.4	161.2	0	0	0	110.1	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.18Å; M26-I43 HydrophobicContact CB-CG2 4.33Å; M26-I43 PolarHBondContact N-O 2.95Å; M26-I43 PolarHBondContact O-N 2.79Å; I43-I50 HydrophobicContact CB-CG1 4.41Å; I43-I50 HydrophobicContact CD1-CD1 3.94Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.43Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; I43-R64 HydrophobicContact CD1-CG 3.95Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; I43-L71 HydrophobicContact CG2-CD1 3.51Å
44	N	95.8	Very high	95.7	Very high	14 Å²	14	57.8 Å²	57.8	8%	0.075	35%	0.347	C	S	.	.			trans	-77.1	167.7	179.4	78.4	-28	0	0	0	112.1	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.68Å; W25-N44 HydrophobicContact CE3-CB 3.98Å; W25-N44 HydrophobicContact CG-CB 4.36Å; W25-N44 HydrophobicContact CH2-CB 3.78Å; W25-N44 HydrophobicContact CZ2-CB 3.44Å; W25-N44 VanDerWaalsContact CZ2-CB 3.44Å; W25-N44 HydrophobicContact CZ3-CB 4.02Å; N44-D46 VanDerWaalsContact CG-OD1 3.23Å; N44-D46 PolarHBondContact ND2-OD1 2.85Å; N44-D46 PolarHBondContact O-N 2.82Å; N44-D46 PolarHBondContact OD1-OD1 2.01Å; N44-S47 PolarHBondContact O-N 2.95Å; N44-S47 VanDerWaalsContact OD1-C 3.29Å; N44-S47 VanDerWaalsContact OD1-CA 3.23Å; N44-S47 WeakPolarHBondContact OD1-CA 3.14Å; N44-S47 PolarHBondContact OD1-N 2.98Å; N44-S48 PolarHBondContact ND2-OG 3.42Å; N44-S48 PolarHBondContact OD1-N 2.88Å; N44-T49 PolarHBondContact N-O 3.34Å; N44-T49 VanDerWaalsContact N-O 3.1Å; N44-T49 PolarHBondContact OD1-N 2.63Å; N44-T49 PolarHBondContact OD1-O 3.38Å; N44-T49 VanDerWaalsContact OD1-O 3.11Å; N44-R64 WeakPolarHBondContact O-CD 3.44Å; N44-R64 PolarHBondContact O-NH1 3.36Å; N44-R64 VanDerWaalsContact O-NH1 3.08Å
45	P	96	Very high	95.4	Very high	34 Å²	34	58.5 Å²	58.5	22%	0.221	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-45	-177.5	-37.1	42.4	0	0	0	116.4	S22 R23 R64 N66	S22-P45 WeakPolarHBondContact O-CB 3.37Å; R23-P45 VanDerWaalsContact O-CG 3.31Å; R23-P45 WeakPolarHBondContact O-CG 3.33Å; P45-R64 VanDerWaalsContact CA-NH1 3.33Å; P45-N66 PolarHBondContact O-ND2 2.86Å
46	D	95.6	Very high	95.1	Very high	111 Å²	111	53.3 Å²	53.3	59%	0.594	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	2.8	-175.9	67	9.6	0	0	0	113.6	N44 S48	N44-D46 VanDerWaalsContact CG-OD1 3.23Å; N44-D46 PolarHBondContact ND2-OD1 2.85Å; N44-D46 PolarHBondContact O-N 2.82Å; N44-D46 PolarHBondContact OD1-OD1 2.01Å; D46-S48 PolarHBondContact O-N 2.87Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.42Å; D46-S48 PolarHBondContact OD1-N 2.85Å; D46-S48 PolarHBondContact OD1-OG 2.85Å; D46-S48 PolarHBondContact OD2-OG 2.94Å
47	S	96.7	Very high	94.8	Very high	53 Å²	53	57 Å²	57	37%	0.371	32%	0.317	S	S	.	.	S	Bend	trans	63	10.9	-177.8	-46.4	0	0	0	0	115.7	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.95Å; N44-S47 VanDerWaalsContact OD1-C 3.29Å; N44-S47 VanDerWaalsContact OD1-CA 3.23Å; N44-S47 WeakPolarHBondContact OD1-CA 3.14Å; N44-S47 PolarHBondContact OD1-N 2.98Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 2.8Å; S47-R64 WeakPolarHBondContact OG-CD 3.33Å; S47-R64 VanDerWaalsContact OG-CG 3.22Å; S47-R64 WeakPolarHBondContact OG-CG 3.32Å
48	S	96.9	Very high	94.5	Very high	87 Å²	87	59.7 Å²	59.7	61%	0.608	33%	0.332	S	S	*	.	S	Bend	trans	-72.1	-23.1	176.7	62.9	0	0	0	0	113.2	N44 D46	N44-S48 PolarHBondContact ND2-OG 3.42Å; N44-S48 PolarHBondContact OD1-N 2.88Å; D46-S48 PolarHBondContact O-N 2.87Å; D46-S48 VanDerWaalsContact OD1-CB 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.42Å; D46-S48 PolarHBondContact OD1-N 2.85Å; D46-S48 PolarHBondContact OD1-OG 2.85Å; D46-S48 PolarHBondContact OD2-OG 2.94Å
49	T	96.8	Very high	94.2	Very high	56 Å²	56	59.1 Å²	59.1	34%	0.344	33%	0.328	S	S	.	.			trans	-127.8	130.2	-178.5	-55.1	0	0	0	0	110.9	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 3.83Å; W25-T49 HydrophobicContact CZ3-CG2 4.43Å; N44-T49 PolarHBondContact N-O 3.34Å; N44-T49 VanDerWaalsContact N-O 3.1Å; N44-T49 PolarHBondContact OD1-N 2.63Å; N44-T49 PolarHBondContact OD1-O 3.38Å; N44-T49 VanDerWaalsContact OD1-O 3.11Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 2.8Å
50	I	96.9	Very high	94.1	Very high	64 Å²	64	55.2 Å²	55.2	33%	0.328	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.5	173.8	-47.2	177.6	0	0	0	108.6	E42 I43 Y52 I62	E42-I50 VanDerWaalsContact O-CA 3.32Å; E42-I50 WeakPolarHBondContact O-CA 3.01Å; E42-I50 VanDerWaalsContact O-CG2 3.31Å; E42-I50 WeakPolarHBondContact O-CG2 3.23Å; I43-I50 HydrophobicContact CB-CG1 4.41Å; I43-I50 HydrophobicContact CD1-CD1 3.94Å; I43-I50 HydrophobicContact CD1-CG1 3.97Å; I43-I50 HydrophobicContact CG1-CG1 3.98Å; I50-Y52 HydrophobicContact CB-CE2 4.03Å; I50-Y52 HydrophobicContact CG2-CD2 4.09Å; I50-Y52 HydrophobicContact CG2-CE1 4.28Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-I62 HydrophobicContact CG2-CB 4.2Å
51	N	95.8	Very high	94.1	Very high	67 Å²	67	59.5 Å²	59.5	36%	0.358	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.8	174.3	-58.8	-40.9	0	0	0	109.5	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.92Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; G41-N51 CarbonylContact C-O 3.58Å; G41-N51 WeakPolarHBondContact CA-O 3.41Å; E42-N51 HydrophobicContact CG-CB 4.02Å; E42-N51 PolarHBondContact N-O 3Å; E42-N51 PolarHBondContact O-N 2.81Å; E42-N51 PolarHBondContact OE1-ND2 2.63Å
52	Y	96.5	Very high	94.2	Very high	50 Å²	50	59.6 Å²	59.6	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.3	178.4	-68.9	-84.2	0	0	0	110.8	W39 I40 I50 K57 F60 I61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.44Å; I40-Y52 WeakPolarHBondContact O-CA 3.1Å; I50-Y52 HydrophobicContact CB-CE2 4.03Å; I50-Y52 HydrophobicContact CG2-CD2 4.09Å; I50-Y52 HydrophobicContact CG2-CE1 4.28Å; I50-Y52 HydrophobicContact CG2-CE2 3.37Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-K57 HydrophobicContact CD2-CG 4.23Å; Y52-K57 HydrophobicContact CG-CB 4.29Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; Y52-F60 VanDerWaalsContact CE1-O 3.22Å; Y52-F60 WeakPolarHBondContact CE1-O 3.27Å; Y52-I61 WeakPolarHBondContact OH-CA 3.38Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CB 4.48Å; Y52-I62 HydrophobicContact CE1-CD1 3.91Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.86Å
53	A	94.9	Very high	94.2	Very high	11 Å²	11	59.8 Å²	59.8	9%	0.091	34%	0.341	C	S	.	.			trans	-60.8	131.1	161.7	0	0	0	0	0	108.8	W39 I40 S55 L56 K57	W39-A53 HydrophobicContact CE3-CB 3.93Å; W39-A53 HydrophobicContact CZ3-CB 4.22Å; W39-A53 VanDerWaalsContact CZ3-N 3.27Å; W39-A53 VanDerWaalsContact O-CB 3.27Å; W39-A53 WeakPolarHBondContact O-CB 2.97Å; I40-A53 PolarHBondContact O-N 2.66Å; A53-S55 PolarHBondContact O-N 2.88Å; A53-S55 VanDerWaalsContact O-N 3.09Å; A53-L56 HydrophobicContact CB-CB 4.33Å; A53-L56 HydrophobicContact CB-CD1 4.31Å; A53-L56 HydrophobicContact CB-CG 4.4Å; A53-L56 PolarHBondContact O-N 2.88Å; A53-K57 PolarHBondContact O-N 3.14Å; A53-K57 VanDerWaalsContact O-N 3.12Å
54	P	91.6	Very high	94.2	Very high	127 Å²	127	60.9 Å²	60.9	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.6	-174.7	-29.9	35.2	0	0	0	114	L56	P54-L56 VanDerWaalsContact C-N 3.27Å; P54-L56 PolarHBondContact O-N 2.91Å
55	S	88.6	Confident	94.3	Very high	108 Å²	108	62.1 Å²	62.1	76%	0.755	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.7	179.8	53.4	0	0	0	0	114.6	A53	A53-S55 PolarHBondContact O-N 2.88Å; A53-S55 VanDerWaalsContact O-N 3.09Å
56	L	87.6	Confident	94.3	Very high	13 Å²	13	63.4 Å²	63.4	7%	0.068	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-6.5	-170.6	-59.4	179.6	0	0	0	114	I40 A53 P54 D58 K59 F60	I40-L56 HydrophobicContact CB-CD1 4.47Å; I40-L56 HydrophobicContact CG1-CD1 4.05Å; A53-L56 HydrophobicContact CB-CB 4.33Å; A53-L56 HydrophobicContact CB-CD1 4.31Å; A53-L56 HydrophobicContact CB-CG 4.4Å; A53-L56 PolarHBondContact O-N 2.88Å; P54-L56 VanDerWaalsContact C-N 3.27Å; P54-L56 PolarHBondContact O-N 2.91Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.39Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-K59 VanDerWaalsContact O-N 3.14Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 3.98Å; L56-F60 HydrophobicContact CD1-CE2 4.11Å; L56-F60 HydrophobicContact CD2-CE2 3.91Å; L56-F60 HydrophobicContact CG-CE2 4.21Å; L56-F60 PolarHBondContact O-N 2.95Å
57	K	87.4	Confident	94.3	Very high	130 Å²	130	62.8 Å²	62.8	57%	0.565	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-42.6	-177.6	176.3	-177.7	171.2	-175.2	0	113.9	Y52 A53 K59	Y52-K57 HydrophobicContact CD2-CG 4.23Å; Y52-K57 HydrophobicContact CG-CB 4.29Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; A53-K57 PolarHBondContact O-N 3.14Å; A53-K57 VanDerWaalsContact O-N 3.12Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 3.38Å
58	D	89.1	Confident	94.2	Very high	156 Å²	156	66.4 Å²	66.4	83%	0.834	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.1	-173.1	-58.8	-33.8	0	0	0	113.3	L56	L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 3.39Å
59	K	90	Very high	94.2	Very high	41 Å²	41	65.3 Å²	65.3	18%	0.178	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-30.6	-173.3	-164.3	170.6	-167	174	0	113.5	L56 K57 D82	L56-K59 PolarHBondContact O-N 3.26Å; L56-K59 VanDerWaalsContact O-N 3.14Å; K57-K59 VanDerWaalsContact C-N 3.25Å; K57-K59 PolarHBondContact O-N 3.38Å; K59-D82 VanDerWaalsContact CE-CG 3.4Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 3.37Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å
60	F	93.6	Very high	94.2	Very high	1 Å²	1	63.3 Å²	63.3	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	-172.1	-57	-47.6	0	0	0	111.8	I40 Y52 L56 L73 Q74 M75	I40-F60 HydrophobicContact CD1-CD2 4.39Å; I40-F60 HydrophobicContact CD1-CE2 4.27Å; I40-F60 HydrophobicContact CG2-CB 4.12Å; I40-F60 HydrophobicContact CG2-CD2 3.48Å; I40-F60 VanDerWaalsContact CG2-CD2 3.48Å; I40-F60 HydrophobicContact CG2-CE2 4.24Å; I40-F60 HydrophobicContact CG2-CG 4.08Å; Y52-F60 VanDerWaalsContact CE1-O 3.22Å; Y52-F60 WeakPolarHBondContact CE1-O 3.27Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 3.98Å; L56-F60 HydrophobicContact CD1-CE2 4.11Å; L56-F60 HydrophobicContact CD2-CE2 3.91Å; L56-F60 HydrophobicContact CG-CE2 4.21Å; L56-F60 PolarHBondContact O-N 2.95Å; F60-L73 HydrophobicContact CB-CD1 3.82Å; F60-L73 HydrophobicContact CB-CG 4.46Å; F60-L73 HydrophobicContact CG-CD1 4.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.48Å; F60-M75 HydrophobicContact CD1-CB 3.96Å; F60-M75 HydrophobicContact CD1-CE 4.09Å; F60-M75 HydrophobicContact CD1-CG 3.57Å; F60-M75 HydrophobicContact CE1-CB 4.01Å; F60-M75 HydrophobicContact CE1-CE 3.22Å; F60-M75 HydrophobicContact CE1-CG 3.71Å; F60-M75 HydrophobicContact CE1-SD 4.19Å; F60-M75 HydrophobicContact CZ-CE 3.84Å
61	I	96	Very high	94.2	Very high	90 Å²	90	60.2 Å²	60.2	46%	0.462	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.5	173.5	-57.9	173	0	0	0	107.6	Y52 Q74	Y52-I61 WeakPolarHBondContact OH-CA 3.38Å; I61-Q74 HydrophobicContact CB-CB 4.23Å; I61-Q74 PolarHBondContact N-O 2.9Å; I61-Q74 PolarHBondContact O-N 3.48Å
62	I	97.7	Very high	94.3	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.2	174.4	-60.2	172.4	0	0	0	108.6	I43 I50 Y52 L71 Y72 L73	I43-I62 HydrophobicContact CB-CG2 3.83Å; I43-I62 HydrophobicContact CD1-CG2 4.43Å; I43-I62 HydrophobicContact CG2-CG2 3.6Å; I50-I62 HydrophobicContact CG2-CB 4.2Å; Y52-I62 HydrophobicContact CD1-CD1 4.35Å; Y52-I62 HydrophobicContact CE1-CB 4.48Å; Y52-I62 HydrophobicContact CE1-CD1 3.91Å; Y52-I62 HydrophobicContact CE1-CG1 3.86Å; Y52-I62 PolarHBondContact OH-N 2.86Å; I62-L71 HydrophobicContact CG2-CD1 3.99Å; I62-Y72 WeakPolarHBondContact CA-O 3.47Å; I62-L73 HydrophobicContact CG1-CD1 3.64Å
63	S	97.9	Very high	94.4	Very high	37 Å²	37	56.5 Å²	56.5	26%	0.259	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.7	171.5	51.8	0	0	0	0	110.1	Y72	S63-Y72 PolarHBondContact N-O 2.97Å; S63-Y72 VanDerWaalsContact N-O 3.1Å; S63-Y72 PolarHBondContact O-N 3.02Å
64	R	97.8	Very high	94.4	Very high	25 Å²	25	59.7 Å²	59.7	9%	0.094	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.2	-179.1	62.3	-174.7	-65.8	158	3.2	111.3	F21 Y24 I43 N44 P45 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.17Å; F21-R64 HydrophobicContact CZ-CB 4.06Å; F21-R64 PolarHBondContact O-NH2 3.09Å; Y24-R64 PolarHBondContact O-NH1 2.9Å; I43-R64 HydrophobicContact CD1-CG 3.95Å; I43-R64 HydrophobicContact CG1-CG 4.4Å; N44-R64 WeakPolarHBondContact O-CD 3.44Å; N44-R64 PolarHBondContact O-NH1 3.36Å; N44-R64 VanDerWaalsContact O-NH1 3.08Å; P45-R64 VanDerWaalsContact CA-NH1 3.33Å; S47-R64 WeakPolarHBondContact OG-CD 3.33Å; S47-R64 VanDerWaalsContact OG-CG 3.22Å; S47-R64 WeakPolarHBondContact OG-CG 3.32Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.12Å; R64-N66 PolarHBondContact NH2-OD1 3.27Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.33Å; R64-L71 HydrophobicContact CB-CD1 4.12Å
65	D	97	Very high	94.5	Very high	41 Å²	41	53.6 Å²	53.6	22%	0.219	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	105.6	171.3	-177.4	-25.1	0	0	0	108.1	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 WeakPolarHBondContact OD1-CB 3.39Å; D65-A67 PolarHBondContact OD1-N 2.82Å; D65-K68 HydrophobicContact CB-CB 4.24Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 2.99Å; D65-K68 WeakPolarHBondContact OD2-CD 3.46Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.49Å; D65-K68 WeakPolarHBondContact OD2-CG 3.47Å; D65-K68 IonicContact OD2-NZ 2.7Å; D65-K68 PolarHBondContact OD2-NZ 2.64Å; D65-N69 PolarHBondContact O-N 3.32Å; D65-T70 PolarHBondContact N-O 2.89Å; D65-T70 PolarHBondContact O-N 3.1Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å
66	N	96.2	Very high	94.6	Very high	61 Å²	61	50.8 Å²	50.8	33%	0.326	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.7	-177	-72	-17.3	0	0	0	112.2	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.33Å; P45-N66 PolarHBondContact O-ND2 2.86Å; R64-N66 VanDerWaalsContact CZ-OD1 3.23Å; R64-N66 PolarHBondContact NE-OD1 3.12Å; R64-N66 PolarHBondContact NH2-OD1 3.27Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.76Å; N66-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-OD1 3.22Å
67	A	94.7	Very high	94.7	Very high	98 Å²	98	58 Å²	58	81%	0.81	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-30.3	176.3	0	0	0	0	0	111.4	D65	D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 WeakPolarHBondContact OD1-CB 3.39Å; D65-A67 PolarHBondContact OD1-N 2.82Å
68	K	95.8	Very high	95	Very high	128 Å²	128	51.9 Å²	51.9	56%	0.557	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	2.5	177.3	-60.7	-177.4	-166	128.1	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.24Å; D65-K68 CarbonylContact O-C 3.58Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 2.99Å; D65-K68 WeakPolarHBondContact OD2-CD 3.46Å; D65-K68 VanDerWaalsContact OD2-CE 3.24Å; D65-K68 WeakPolarHBondContact OD2-CE 3.49Å; D65-K68 WeakPolarHBondContact OD2-CG 3.47Å; D65-K68 IonicContact OD2-NZ 2.7Å; D65-K68 PolarHBondContact OD2-NZ 2.64Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 2.76Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.84Å
69	N	95.8	Very high	95.2	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.342	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	40.7	-171.7	-63.4	-42.1	0	0	0	113	A16 F21 D65 N66	A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 2.81Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 HydrophobicContact CD1-CB 4.33Å; F21-N69 HydrophobicContact CG-CB 4.19Å; D65-N69 PolarHBondContact O-N 3.32Å; N66-N69 PolarHBondContact O-N 2.79Å; N66-N69 PolarHBondContact O-OD1 3.22Å
70	T	97.4	Very high	95.3	Very high	14 Å²	14	52.5 Å²	52.5	9%	0.086	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.9	-170.9	-58.7	0	0	0	0	111.7	C14 F21 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.37Å; F21-T70 VanDerWaalsContact CZ-C 3.48Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.33Å; D65-T70 PolarHBondContact N-O 2.89Å; D65-T70 PolarHBondContact O-N 3.1Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 VanDerWaalsContact O-N 3.1Å; K68-T70 PolarHBondContact O-OG1 2.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.03Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.42Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.42Å; T70-Y72 HydrophobicContact CG2-CE2 3.91Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.21Å
71	L	98	Very high	95.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.2	170.1	-170.4	70.4	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.44Å; S13-L71 WeakPolarHBondContact CA-O 3.33Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.94Å; C14-L71 PolarHBondContact O-N 2.98Å; F21-L71 HydrophobicContact CE2-CB 4.01Å; F21-L71 HydrophobicContact CZ-CB 4.04Å; M26-L71 HydrophobicContact CB-CD1 3.8Å; M26-L71 HydrophobicContact CB-CD2 3.93Å; M26-L71 HydrophobicContact CB-CG 4.39Å; W28-L71 HydrophobicContact CD2-CD2 4.34Å; W28-L71 HydrophobicContact CG-CD2 4.2Å; W28-L71 HydrophobicContact CZ2-CD2 4.44Å; W28-L71 HydrophobicContact CZ2-CG 4.5Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; W28-L71 VanDerWaalsContact NE1-CG 3.35Å; I43-L71 HydrophobicContact CG2-CD1 3.51Å; I62-L71 HydrophobicContact CG2-CD1 3.99Å; R64-L71 HydrophobicContact CB-CD1 4.12Å; L71-C88 HydrophobicContact CD2-CB 4.02Å
72	Y	97.8	Very high	95.1	Very high	39 Å²	39	54 Å²	54	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147	179.3	-56	-77.9	0	0	0	112.1	K11 L12 W28 I62 S63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; L12-Y72 WeakPolarHBondContact O-CA 3.39Å; W28-Y72 PolarHBondContact NE1-O 3.05Å; I62-Y72 WeakPolarHBondContact CA-O 3.47Å; S63-Y72 PolarHBondContact N-O 2.97Å; S63-Y72 VanDerWaalsContact N-O 3.1Å; S63-Y72 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.82Å; T70-Y72 HydrophobicContact CG2-CD1 4.03Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.42Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.42Å; T70-Y72 HydrophobicContact CG2-CE2 3.91Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.21Å
73	L	97.5	Very high	95	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.5	169	-168.8	70	0	0	0	108.5	K11 L12 W28 I40 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.56Å; K11-L73 WeakPolarHBondContact CA-O 3.44Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.39Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 2.88Å; W28-L73 HydrophobicContact CB-CD1 4.27Å; W28-L73 HydrophobicContact CB-CD2 4.45Å; W28-L73 HydrophobicContact CD2-CB 3.88Å; W28-L73 HydrophobicContact CD2-CD2 4.16Å; W28-L73 HydrophobicContact CD2-CG 4.44Å; W28-L73 HydrophobicContact CE3-CD2 4.36Å; W28-L73 HydrophobicContact CG-CB 4.13Å; W28-L73 HydrophobicContact CG-CD1 3.96Å; W28-L73 HydrophobicContact CG-CD2 4.2Å; W28-L73 HydrophobicContact CG-CG 4.35Å; W28-L73 HydrophobicContact CZ2-CB 3.98Å; I40-L73 HydrophobicContact CD1-CD2 3.82Å; I40-L73 HydrophobicContact CG2-CD1 4.19Å; F60-L73 HydrophobicContact CB-CD1 3.82Å; F60-L73 HydrophobicContact CB-CG 4.46Å; F60-L73 HydrophobicContact CG-CD1 4.3Å; I62-L73 HydrophobicContact CG1-CD1 3.64Å; L73-M75 HydrophobicContact CD2-CG 4.33Å; L73-M75 HydrophobicContact CD2-SD 4.32Å; L73-M75 HydrophobicContact CG-CG 4.21Å; L73-Y86 HydrophobicContact CD2-CD1 3.69Å; L73-Y86 HydrophobicContact CD2-CE1 3.82Å
74	Q	96	Very high	94.9	Very high	77 Å²	77	53.8 Å²	53.8	36%	0.36	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.4	172.7	177.4	170	-15.6	0	0	109.6	F60 I61	F60-Q74 WeakPolarHBondContact CA-O 3.48Å; I61-Q74 HydrophobicContact CB-CB 4.23Å; I61-Q74 PolarHBondContact N-O 2.9Å; I61-Q74 PolarHBondContact O-N 3.48Å
75	M	93.1	Very high	94.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.9	-176	-44.7	170.5	67.5	0	0	107.7	S9 L10 L12 F60 L73 V78 D82 Y86 L107	S9-M75 CarbonylContact C-O 3.58Å; S9-M75 VanDerWaalsContact CA-O 3.23Å; S9-M75 WeakPolarHBondContact CA-O 3.42Å; S9-M75 WeakPolarHBondContact CB-O 2.93Å; L10-M75 HydrophobicContact CD1-CG 4.38Å; L10-M75 HydrophobicContact CD1-SD 3.71Å; L10-M75 HydrophobicContact CD2-SD 4.45Å; L10-M75 HydrophobicContact CG-CB 4.32Å; L10-M75 HydrophobicContact CG-SD 4.15Å; L10-M75 PolarHBondContact N-O 3.42Å; L10-M75 PolarHBondContact O-N 2.98Å; L12-M75 HydrophobicContact CD1-SD 4.09Å; L12-M75 HydrophobicContact CG-SD 4.32Å; F60-M75 HydrophobicContact CD1-CB 3.96Å; F60-M75 HydrophobicContact CD1-CE 4.09Å; F60-M75 HydrophobicContact CD1-CG 3.57Å; F60-M75 HydrophobicContact CE1-CB 4.01Å; F60-M75 HydrophobicContact CE1-CE 3.22Å; F60-M75 HydrophobicContact CE1-CG 3.71Å; F60-M75 HydrophobicContact CE1-SD 4.19Å; F60-M75 HydrophobicContact CZ-CE 3.84Å; L73-M75 HydrophobicContact CD2-CG 4.33Å; L73-M75 HydrophobicContact CD2-SD 4.32Å; L73-M75 HydrophobicContact CG-CG 4.21Å; M75-V78 HydrophobicContact CB-CG1 3.86Å; M75-D82 HydrophobicContact CE-CB 4.05Å; M75-Y86 HydrophobicContact CE-CE1 3.82Å; M75-Y86 HydrophobicContact CE-CE2 4.29Å; M75-Y86 VanDerWaalsContact CE-CZ 3.48Å; M75-Y86 WeakPolarHBondContact CE-OH 3.22Å; M75-Y86 HydrophobicContact SD-CE1 4.28Å; M75-L107 HydrophobicContact CE-CD2 3.57Å; M75-L107 HydrophobicContact SD-CD2 3.77Å
76	S	90.1	Very high	94.9	Very high	49 Å²	49	52.5 Å²	52.5	34%	0.343	27%	0.274	S	S	.	.			trans	-120.7	147.7	-179.7	-60.3	0	0	0	0	110.3	V78	S76-V78 VanDerWaalsContact C-N 3.33Å; S76-V78 PolarHBondContact O-N 3.2Å
77	K	90.4	Very high	94.9	Very high	165 Å²	165	51 Å²	51	72%	0.717	26%	0.264	S	S	*	.	S	Bend	trans	53.2	50	179.8	-56.4	178	-179.5	177.8	0	111.6	G8	G8-K77 WeakPolarHBondContact O-CA 3.31Å; G8-K77 PolarHBondContact O-N 2.95Å
78	V	92.4	Very high	95	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.228	C	C	.	.			trans	-60.6	143.4	-176.3	-62	0	0	0	0	111.4	V4 P6 G7 G8 L10 M75 S76 D82 V109	V4-V78 HydrophobicContact CB-CG2 4.49Å; V4-V78 HydrophobicContact CG1-CG2 3.91Å; P6-V78 CarbonylContact C-O 3.58Å; P6-V78 WeakPolarHBondContact CA-O 3.35Å; G7-V78 PolarHBondContact N-O 2.95Å; G8-V78 PolarHBondContact O-N 3.15Å; L10-V78 HydrophobicContact CD2-CG1 3.82Å; L10-V78 HydrophobicContact CD2-CG2 4.49Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; M75-V78 HydrophobicContact CB-CG1 3.86Å; S76-V78 VanDerWaalsContact C-N 3.33Å; S76-V78 PolarHBondContact O-N 3.2Å; V78-D82 WeakPolarHBondContact CA-OD2 3.32Å; V78-V109 HydrophobicContact CB-CG2 4.13Å; V78-V109 HydrophobicContact CG2-CG1 4.08Å; V78-V109 HydrophobicContact CG2-CG2 4.08Å
79	R	93.2	Very high	95	Very high	130 Å²	130	40.7 Å²	40.7	49%	0.491	20%	0.202	S	C	.	.			trans	-124.2	166.3	-179.2	-54.4	-171	-59.8	-148.2	-0.5	109.8	E81 D82 V109	R79-E81 IonicContact CZ-OE2 2.63Å; R79-E81 IonicContact NE-OE1 3.52Å; R79-E81 IonicContact NE-OE2 3.63Å; R79-E81 PolarHBondContact NE-OE2 3.02Å; R79-E81 IonicContact NH2-OE1 2.8Å; R79-E81 IonicContact NH2-OE2 2.63Å; R79-E81 PolarHBondContact NH2-OE2 3.39Å; R79-E81 PolarHBondContact O-N 3.29Å; R79-E81 VanDerWaalsContact O-N 3.11Å; R79-D82 PolarHBondContact N-OD2 3.25Å; R79-D82 WeakPolarHBondContact O-CB 3.39Å; R79-D82 PolarHBondContact O-N 3.01Å; R79-V109 VanDerWaalsContact C-CG1 3.48Å; R79-V109 WeakPolarHBondContact O-CB 3.23Å
80	S	92.4	Very high	94.9	Very high	80 Å²	80	39 Å²	39	56%	0.559	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-51.4	-35.3	174.5	52.6	0	0	0	0	112.8	D82 T83	S80-D82 PolarHBondContact O-N 2.81Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 3.06Å; S80-T83 PolarHBondContact O-OG1 2.84Å
81	E	91.8	Very high	94.6	Very high	120 Å²	120	39 Å²	39	56%	0.561	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-60.9	-18.5	174.6	-62.4	164.4	-153.3	0	0	115	R79 T83	R79-E81 IonicContact CZ-OE2 2.63Å; R79-E81 IonicContact NE-OE1 3.52Å; R79-E81 IonicContact NE-OE2 3.63Å; R79-E81 PolarHBondContact NE-OE2 3.02Å; R79-E81 IonicContact NH2-OE1 2.8Å; R79-E81 IonicContact NH2-OE2 2.63Å; R79-E81 PolarHBondContact NH2-OE2 3.39Å; R79-E81 PolarHBondContact O-N 3.29Å; R79-E81 VanDerWaalsContact O-N 3.11Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82	D	93.4	Very high	93.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-85.9	-1.2	174.7	-59.2	-51.2	0	0	0	112.7	R30 K59 M75 V78 R79 S80 A84 Y86 V109	R30-D82 IonicContact NH1-OD1 3.32Å; K59-D82 VanDerWaalsContact CE-CG 3.4Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.12Å; K59-D82 IonicContact NZ-OD1 3.37Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å; M75-D82 HydrophobicContact CE-CB 4.05Å; V78-D82 WeakPolarHBondContact CA-OD2 3.32Å; R79-D82 PolarHBondContact N-OD2 3.25Å; R79-D82 WeakPolarHBondContact O-CB 3.39Å; R79-D82 PolarHBondContact O-N 3.01Å; S80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 2.97Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 2.7Å; D82-V109 HydrophobicContact CB-CG2 4.42Å
83	T	95.6	Very high	92.7	Very high	32 Å²	32	42 Å²	42	20%	0.196	21%	0.209	C	C	.	.			trans	-63.6	110.3	171.2	-64.1	0	0	0	0	109.1	P33 S80 E81 L107 T108 V109	P33-T83 VanDerWaalsContact CD-O 3.23Å; P33-T83 WeakPolarHBondContact CD-O 3.4Å; P33-T83 HydrophobicContact CG-CG2 4.5Å; S80-T83 WeakPolarHBondContact O-CB 3.31Å; S80-T83 PolarHBondContact O-N 3.06Å; S80-T83 PolarHBondContact O-OG1 2.84Å; E81-T83 VanDerWaalsContact C-N 3.27Å; T83-L107 WeakPolarHBondContact CA-O 3.25Å; T83-T108 HydrophobicContact CG2-CG2 4.48Å; T83-V109 PolarHBondContact OG1-N 3.49Å
84	A	96.4	Very high	91.6	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	166.9	-177.2	0	0	0	0	0	111	R30 R31 A32 D82 Y86 L107	R30-A84 HydrophobicContact CB-CB 4.1Å; R31-A84 WeakPolarHBondContact O-CA 3.32Å; R31-A84 WeakPolarHBondContact O-CB 3.49Å; A32-A84 HydrophobicContact CB-CB 4.39Å; D82-A84 PolarHBondContact O-N 2.97Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.66Å; A84-Y86 WeakPolarHBondContact O-CD2 3.2Å; A84-L107 PolarHBondContact N-O 2.95Å; A84-L107 VanDerWaalsContact N-O 3.15Å; A84-L107 PolarHBondContact O-N 3.37Å
85	L	97.4	Very high	90.4	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.199	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.4	164.9	-172.8	52.3	0	0	0	108.6	R30 R31 Y87	R30-L85 CarbonylContact C-O 3.43Å; R30-L85 WeakPolarHBondContact CA-O 3.24Å; R31-L85 PolarHBondContact N-O 3.03Å; R31-L85 PolarHBondContact O-N 3.08Å; L85-Y87 HydrophobicContact CB-CE2 4.14Å; L85-Y87 HydrophobicContact CD2-CE1 4.06Å; L85-Y87 HydrophobicContact CD2-CE2 4.1Å; L85-Y87 VanDerWaalsContact CD2-CZ 3.44Å; L85-Y87 WeakPolarHBondContact CD2-OH 2.97Å; L85-Y87 HydrophobicContact CG-CE1 4.02Å; L85-Y87 HydrophobicContact CG-CE2 3.73Å; L85-Y87 VanDerWaalsContact CG-CZ 3.47Å
86	Y	97.3	Very high	89.4	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.9	-176.7	-73	-99.9	0	0	0	110.7	L12 V29 R30 I40 L73 M75 D82 A84 G104 T105 L107	L12-Y86 HydrophobicContact CD1-CD1 3.84Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.55Å; V29-Y86 CarbonylContact O-C 3.57Å; R30-Y86 HydrophobicContact CB-CD1 3.95Å; R30-Y86 HydrophobicContact CB-CE1 3.9Å; R30-Y86 HydrophobicContact CB-CG 4.35Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.62Å; L73-Y86 HydrophobicContact CD2-CD1 3.69Å; L73-Y86 HydrophobicContact CD2-CE1 3.82Å; M75-Y86 HydrophobicContact CE-CE1 3.82Å; M75-Y86 HydrophobicContact CE-CE2 4.29Å; M75-Y86 VanDerWaalsContact CE-CZ 3.48Å; M75-Y86 WeakPolarHBondContact CE-OH 3.22Å; M75-Y86 HydrophobicContact SD-CE1 4.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.49Å; D82-Y86 PolarHBondContact O-OH 2.7Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.66Å; A84-Y86 WeakPolarHBondContact O-CD2 3.2Å; Y86-G104 CarbonylContact O-C 3.59Å; Y86-G104 WeakPolarHBondContact O-CA 3.24Å; Y86-T105 PolarHBondContact N-O 2.73Å; Y86-T105 PolarHBondContact O-N 2.6Å; Y86-L107 HydrophobicContact CD2-CB 3.94Å; Y86-L107 HydrophobicContact CE2-CB 3.8Å; Y86-L107 HydrophobicContact CE2-CD2 3.89Å; Y86-L107 HydrophobicContact CE2-CG 4.45Å
87	Y	97.3	Very high	89	Confident	29 Å²	29	59.4 Å²	59.4	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.5	-179.1	-54.7	-88.1	0	0	0	110.2	W28 V29 R31 L37 L85 W101 G104	W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.39Å; V29-Y87 PolarHBondContact N-O 2.85Å; V29-Y87 PolarHBondContact O-N 2.82Å; R31-Y87 HydrophobicContact CB-CE2 4.18Å; R31-Y87 PolarHBondContact NH2-OH 2.97Å; L37-Y87 HydrophobicContact CD2-CD2 4.32Å; L37-Y87 HydrophobicContact CD2-CE2 4.09Å; L85-Y87 HydrophobicContact CB-CE2 4.14Å; L85-Y87 HydrophobicContact CD2-CE1 4.06Å; L85-Y87 HydrophobicContact CD2-CE2 4.1Å; L85-Y87 VanDerWaalsContact CD2-CZ 3.44Å; L85-Y87 WeakPolarHBondContact CD2-OH 2.97Å; L85-Y87 HydrophobicContact CG-CE1 4.02Å; L85-Y87 HydrophobicContact CG-CE2 3.73Å; L85-Y87 VanDerWaalsContact CG-CZ 3.47Å; Y87-W101 HydrophobicContact CG-CE3 4.33Å; Y87-W101 HydrophobicContact CG-CZ3 4.44Å; Y87-G104 VanDerWaalsContact CD1-CA 3.48Å
88	C	96.2	Very high	89	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146.9	159.5	52.1	0	0	0	0	109.1	C14 S27 L71 G102	C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.19Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.08Å; S27-C88 CarbonylContact O-C 3.58Å; S27-C88 VanDerWaalsContact O-CA 3.27Å; S27-C88 WeakPolarHBondContact O-CA 3.45Å; L71-C88 HydrophobicContact CD2-CB 4.02Å; C88-G102 PolarHBondContact O-N 3.2Å
89	A	95.7	Very high	88.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.1	174.7	0	0	0	0	0	111.3	M26 S27 F98 Y100 W101	M26-A89 CarbonylContact C-O 3.48Å; M26-A89 WeakPolarHBondContact CA-O 3.33Å; S27-A89 PolarHBondContact N-O 2.81Å; S27-A89 PolarHBondContact O-N 3.17Å; A89-F98 HydrophobicContact CB-CB 4.03Å; A89-F98 HydrophobicContact CB-CD1 3.85Å; A89-F98 HydrophobicContact CB-CG 3.94Å; A89-Y100 CarbonylContact C-O 3.6Å; A89-Y100 WeakPolarHBondContact CA-O 3.47Å; A89-W101 HydrophobicContact CB-CD2 3.99Å; A89-W101 HydrophobicContact CB-CE3 3.99Å; A89-W101 HydrophobicContact CB-CZ3 4.28Å
90	R	94.3	Very high	88.6	Confident	29 Å²	29	57.4 Å²	57.4	11%	0.109	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.3	169	-173	-176.5	86	171.7	10.9	109.4	Y24 M26 F98 D99 Y100	Y24-R90 HydrophobicContact CD1-CG 4.11Å; Y24-R90 HydrophobicContact CD2-CG 4.44Å; Y24-R90 HydrophobicContact CG-CG 3.81Å; M26-R90 HydrophobicContact CE-CB 4.32Å; M26-R90 HydrophobicContact SD-CB 4.16Å; M26-R90 HydrophobicContact SD-CG 4.15Å; R90-F98 WeakPolarHBondContact O-CA 3.36Å; R90-D99 IonicContact CZ-OD1 2.76Å; R90-D99 IonicContact CZ-OD2 2.82Å; R90-D99 IonicContact NE-OD1 3.79Å; R90-D99 PolarHBondContact NE-OD1 3.22Å; R90-D99 IonicContact NE-OD2 2.95Å; R90-D99 PolarHBondContact NE-OD2 3.1Å; R90-D99 VanDerWaalsContact NH2-CG 3.29Å; R90-D99 IonicContact NH2-OD1 3.85Å; R90-D99 IonicContact NH2-OD2 3.33Å; R90-D99 PolarHBondContact NH2-OD2 3.11Å; R90-D99 PolarHBondContact O-N 3.04Å; R90-Y100 PolarHBondContact N-O 3.01Å; R90-Y100 VanDerWaalsContact NE-CD2 3.33Å; R90-Y100 VanDerWaalsContact NH1-CE2 3.3Å
91	V	90.4	Very high	88.7	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.8	171.5	-166.1	0	0	0	0	109.9	W25 S27 F98	W25-V91 HydrophobicContact CB-CB 3.88Å; W25-V91 HydrophobicContact CB-CG2 3.83Å; W25-V91 PolarHBondContact O-N 3.06Å; S27-V91 WeakPolarHBondContact OG-CG2 3.22Å; V91-F98 HydrophobicContact CG2-CD1 4.26Å; V91-F98 HydrophobicContact CG2-CE1 3.97Å
92	G	82.1	Confident	88.8	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.9	128.5	175.1	0	0	0	0	0	111.7	Y94 N96 S97 D99	G92-Y94 PolarHBondContact O-N 3.37Å; G92-N96 PolarHBondContact O-N 3.45Å; G92-S97 PolarHBondContact N-O 2.76Å; G92-D99 WeakPolarHBondContact CA-OD2 3.42Å
93	I	72.9	Confident	88.8	Confident	99 Å²	99	63.2 Å²	63.2	51%	0.508	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.8	-175.4	-66.7	170.1	0	0	0	112.9	Y24	Y24-I93 HydrophobicContact CD1-CD1 3.88Å; Y24-I93 HydrophobicContact CD1-CG1 3.83Å; Y24-I93 HydrophobicContact CE1-CD1 3.4Å; Y24-I93 VanDerWaalsContact CE1-CD1 3.4Å; Y24-I93 HydrophobicContact CE1-CG1 3.68Å
94	Y	75.2	Confident	88.6	Confident	222 Å²	222	63.2 Å²	63.2	87%	0.871	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.8	-169.9	-57.6	-69.3	0	0	0	114.7	G92	G92-Y94 PolarHBondContact O-N 3.37Å
95	S	71.4	Confident	88.6	Confident	71 Å²	71	65 Å²	65	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-5.9	-168.3	54.6	0	0	0	0	113.9	S97	S95-S97 WeakPolarHBondContact CB-OG 3.31Å; S95-S97 PolarHBondContact O-N 3.02Å; S95-S97 PolarHBondContact OG-OG 2.83Å
96	N	71.7	Confident	88.5	Confident	145 Å²	145	66.6 Å²	66.6	78%	0.775	34%	0.34	S	S	*	.	S	Bend	trans	49.4	21.7	-169.4	-63.9	-32.4	0	0	0	113	G92	G92-N96 PolarHBondContact O-N 3.45Å
97	S	82.7	Confident	88.3	Confident	53 Å²	53	66.7 Å²	66.7	37%	0.371	34%	0.341	S	S	.	.	S	Bend	trans	-101.8	150.6	-177.1	68.4	0	0	0	0	110.6	G92 S95 D99	G92-S97 PolarHBondContact N-O 2.76Å; S95-S97 WeakPolarHBondContact CB-OG 3.31Å; S95-S97 PolarHBondContact O-N 3.02Å; S95-S97 PolarHBondContact OG-OG 2.83Å; S97-D99 PolarHBondContact O-N 2.93Å
98	F	88.5	Confident	88.1	Confident	67 Å²	67	68 Å²	68	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	108.7	170.4	-57.9	-48.3	0	0	0	110.6	S27 V29 W39 A89 R90 V91 W101	S27-F98 WeakPolarHBondContact OG-CE1 3.2Å; V29-F98 HydrophobicContact CG2-CE2 4.09Å; V29-F98 HydrophobicContact CG2-CZ 4.35Å; W39-F98 AromaticContact CD1-CZ 3.55Å; W39-F98 AromaticContact NE1-CZ 3.94Å; A89-F98 HydrophobicContact CB-CB 4.03Å; A89-F98 HydrophobicContact CB-CD1 3.85Å; A89-F98 HydrophobicContact CB-CG 3.94Å; R90-F98 WeakPolarHBondContact O-CA 3.36Å; V91-F98 HydrophobicContact CG2-CD1 4.26Å; V91-F98 HydrophobicContact CG2-CE1 3.97Å; F98-W101 HydrophobicContact CB-CH2 4.39Å; F98-W101 HydrophobicContact CB-CZ2 3.45Å; F98-W101 VanDerWaalsContact CB-CZ2 3.45Å; F98-W101 AromaticContact CD2-CH2 3.72Å; F98-W101 HydrophobicContact CD2-CH2 3.72Å; F98-W101 AromaticContact CD2-CZ2 3.42Å; F98-W101 HydrophobicContact CD2-CZ2 3.42Å; F98-W101 VanDerWaalsContact CD2-CZ2 3.42Å; F98-W101 HydrophobicContact CE2-CH2 4.4Å; F98-W101 HydrophobicContact CE2-CZ2 4.48Å; F98-W101 HydrophobicContact CG-CH2 4.29Å; F98-W101 AromaticContact CG-CZ2 3.76Å; F98-W101 HydrophobicContact CG-CZ2 3.76Å; F98-W101 PolarHBondContact O-NE1 3.05Å
99	D	87.6	Confident	87.9	Confident	64 Å²	64	67.8 Å²	67.8	34%	0.342	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-23.1	-174.5	53.8	7.5	0	0	0	113.9	R90 G92 S97	R90-D99 IonicContact CZ-OD1 2.76Å; R90-D99 IonicContact CZ-OD2 2.82Å; R90-D99 IonicContact NE-OD1 3.79Å; R90-D99 PolarHBondContact NE-OD1 3.22Å; R90-D99 IonicContact NE-OD2 2.95Å; R90-D99 PolarHBondContact NE-OD2 3.1Å; R90-D99 VanDerWaalsContact NH2-CG 3.29Å; R90-D99 IonicContact NH2-OD1 3.85Å; R90-D99 IonicContact NH2-OD2 3.33Å; R90-D99 PolarHBondContact NH2-OD2 3.11Å; R90-D99 PolarHBondContact O-N 3.04Å; G92-D99 WeakPolarHBondContact CA-OD2 3.42Å; S97-D99 PolarHBondContact O-N 2.93Å
100	Y	90.9	Very high	87.4	Confident	122 Å²	122	72.4 Å²	72.4	48%	0.478	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.4	171.2	-69.3	-101.3	0	0	0	110.6	I19 A89 R90	I19-Y100 HydrophobicContact CG2-CD1 3.81Å; I19-Y100 HydrophobicContact CG2-CE1 3.9Å; I19-Y100 HydrophobicContact CG2-CG 4.21Å; A89-Y100 CarbonylContact C-O 3.6Å; A89-Y100 WeakPolarHBondContact CA-O 3.47Å; R90-Y100 PolarHBondContact N-O 3.01Å; R90-Y100 VanDerWaalsContact NE-CD2 3.33Å; R90-Y100 VanDerWaalsContact NH1-CE2 3.3Å
101	W	94.1	Very high	87	Confident	109 Å²	109	74.6 Å²	74.6	41%	0.413	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.3	-179.4	-69.4	80.7	0	0	0	111.1	V29 L37 Y87 A89 F98	V29-W101 HydrophobicContact CB-CH2 4.23Å; V29-W101 HydrophobicContact CB-CZ3 3.86Å; V29-W101 HydrophobicContact CG1-CH2 4.13Å; V29-W101 HydrophobicContact CG1-CZ3 4.05Å; V29-W101 HydrophobicContact CG2-CH2 3.91Å; V29-W101 HydrophobicContact CG2-CZ3 3.88Å; L37-W101 HydrophobicContact CD1-CH2 4.13Å; Y87-W101 HydrophobicContact CG-CE3 4.33Å; Y87-W101 HydrophobicContact CG-CZ3 4.44Å; A89-W101 HydrophobicContact CB-CD2 3.99Å; A89-W101 HydrophobicContact CB-CE3 3.99Å; A89-W101 HydrophobicContact CB-CZ3 4.28Å; F98-W101 HydrophobicContact CB-CH2 4.39Å; F98-W101 HydrophobicContact CB-CZ2 3.45Å; F98-W101 VanDerWaalsContact CB-CZ2 3.45Å; F98-W101 AromaticContact CD2-CH2 3.72Å; F98-W101 HydrophobicContact CD2-CH2 3.72Å; F98-W101 AromaticContact CD2-CZ2 3.42Å; F98-W101 HydrophobicContact CD2-CZ2 3.42Å; F98-W101 VanDerWaalsContact CD2-CZ2 3.42Å; F98-W101 HydrophobicContact CE2-CH2 4.4Å; F98-W101 HydrophobicContact CE2-CZ2 4.48Å; F98-W101 HydrophobicContact CG-CH2 4.29Å; F98-W101 AromaticContact CG-CZ2 3.76Å; F98-W101 HydrophobicContact CG-CZ2 3.76Å; F98-W101 PolarHBondContact O-NE1 3.05Å
102	G	93.6	Very high	86.8	Confident	25 Å²	25	77.7 Å²	77.7	26%	0.258	41%	0.412	S	S	.	.			trans	-71.5	160.9	166.5	0	0	0	0	0	111.8	C88 G104	C88-G102 PolarHBondContact O-N 3.2Å; G102-G104 PolarHBondContact O-N 3.15Å; G102-G104 VanDerWaalsContact O-N 3.09Å
103	Q	92.7	Very high	87.1	Confident	189 Å²	189	81.8 Å²	81.8	88%	0.883	43%	0.433	S	S	*	.			trans	-61.5	-19.4	178.1	-65.3	-63.3	-32	0	0	113.6
104	G	93.3	Very high	87.9	Confident	33 Å²	33	80.8 Å²	80.8	34%	0.34	43%	0.428	S	S	.	.			trans	85.6	156.6	-177.8	0	0	0	0	0	112.9	Y86 Y87 G102	Y86-G104 CarbonylContact O-C 3.59Å; Y86-G104 WeakPolarHBondContact O-CA 3.24Å; Y87-G104 VanDerWaalsContact CD1-CA 3.48Å; G102-G104 PolarHBondContact O-N 3.15Å; G102-G104 VanDerWaalsContact O-N 3.09Å
105	T	94.9	Very high	88.7	Confident	41 Å²	41	72 Å²	72	25%	0.252	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.6	175.1	-172	0	0	0	0	110.4	L12 Y86	L12-T105 HydrophobicContact CD1-CG2 4.1Å; L12-T105 HydrophobicContact CD2-CG2 4.05Å; Y86-T105 PolarHBondContact N-O 2.73Å; Y86-T105 PolarHBondContact O-N 2.6Å
106	T	94.9	Very high	89.9	Confident	72 Å²	72	72.1 Å²	72.1	44%	0.442	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.9	176.1	-51.3	0	0	0	0	109.5	G1 G2	G1-T106 CarbonylContact C-O 3.44Å; G1-T106 WeakPolarHBondContact CA-O 3.11Å; G2-T106 PolarHBondContact N-O 3.31Å; G2-T106 VanDerWaalsContact N-O 3.14Å
107	L	93.8	Very high	91.2	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.3	165	172.8	65.1	0	0	0	108.3	V4 L10 M75 T83 A84 Y86 V109	V4-L107 HydrophobicContact CB-CD1 4.47Å; V4-L107 HydrophobicContact CG2-CD1 3.97Å; L10-L107 HydrophobicContact CD1-CD1 4.4Å; L10-L107 HydrophobicContact CD1-CD2 4.4Å; L10-L107 HydrophobicContact CD2-CD1 3.41Å; L10-L107 VanDerWaalsContact CD2-CD1 3.41Å; L10-L107 HydrophobicContact CD2-CD2 3.74Å; L10-L107 HydrophobicContact CD2-CG 4.22Å; M75-L107 HydrophobicContact CE-CD2 3.57Å; M75-L107 HydrophobicContact SD-CD2 3.77Å; T83-L107 WeakPolarHBondContact CA-O 3.25Å; A84-L107 PolarHBondContact N-O 2.95Å; A84-L107 VanDerWaalsContact N-O 3.15Å; A84-L107 PolarHBondContact O-N 3.37Å; Y86-L107 HydrophobicContact CD2-CB 3.94Å; Y86-L107 HydrophobicContact CE2-CB 3.8Å; Y86-L107 HydrophobicContact CE2-CD2 3.89Å; Y86-L107 HydrophobicContact CE2-CG 4.45Å; L107-V109 HydrophobicContact CD1-CG2 4.41Å; L107-V109 HydrophobicContact CD2-CG2 4.33Å; L107-V109 HydrophobicContact CG-CG2 4.16Å
108	T	93.7	Very high	91.8	Very high	56 Å²	56	67.9 Å²	67.9	34%	0.344	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.8	173.5	-57.4	0	0	0	0	109.1	G2 L3 V4 T83	G2-T108 PolarHBondContact O-N 3.19Å; L3-T108 WeakPolarHBondContact CA-O 3.23Å; L3-T108 HydrophobicContact CD1-CG2 3.85Å; V4-T108 PolarHBondContact N-O 3.28Å; T83-T108 HydrophobicContact CG2-CG2 4.48Å
109	V	91.1	Very high	92.1	Very high	5 Å²	5	68 Å²	68	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	110.6	177.1	-174.5	0	0	0	0	108.7	V4 P6 V78 R79 D82 T83 L107	V4-V109 WeakPolarHBondContact O-CA 3.34Å; P6-V109 HydrophobicContact CB-CG1 4.34Å; P6-V109 HydrophobicContact CG-CG1 4.03Å; V78-V109 HydrophobicContact CB-CG2 4.13Å; V78-V109 HydrophobicContact CG2-CG1 4.08Å; V78-V109 HydrophobicContact CG2-CG2 4.08Å; R79-V109 VanDerWaalsContact C-CG1 3.48Å; R79-V109 WeakPolarHBondContact O-CB 3.23Å; D82-V109 HydrophobicContact CB-CG2 4.42Å; T83-V109 PolarHBondContact OG1-N 3.49Å; L107-V109 HydrophobicContact CD1-CG2 4.41Å; L107-V109 HydrophobicContact CD2-CG2 4.33Å; L107-V109 HydrophobicContact CG-CG2 4.16Å
110	S	84.9	Confident	92.5	Very high	97 Å²	97	68.4 Å²	68.4	68%	0.678	38%	0.376	S	S	*	.			trans	-148.2	0	-177.8	67.7	0	0	0	0	112.2	L3 V4 Q5	L3-S110 VanDerWaalsContact CD1-OG 3.31Å; L3-S110 WeakPolarHBondContact CD1-OG 3.26Å; V4-S110 PolarHBondContact O-N 3Å; Q5-S110 PolarHBondContact NE2-O 3.4Å

Retrieved 110 of 110 residues in 24.7 ms (Link to these results)

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