X5J5A9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A9, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 112 aa.

						>X5J5A9_MOUSE|X5J5A9|Ighv4-2
SGGGLVQPGGSLKLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARPSKENYFDYWGQGTTLTVSS
					

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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	S	59.4	Low	79.2	Confident	111 Å²	111	64.4 Å²	64.4	78%	0.776	46%	0.458	S	S	*	.				0	120.3	0	-50.3	0	0	0	0	109.2	G3	S1-G3 VanDerWaalsContact C-N 3.33Å
2	G	63.4	Low	80.2	Confident	34 Å²	34	61.9 Å²	61.9	35%	0.351	44%	0.435	S	S	.	.			trans	-92.5	27.4	178.6	0	0	0	0	0	114
3	G	66.3	Low	81.3	Confident	31 Å²	31	64.7 Å²	64.7	32%	0.32	44%	0.435	S	S	.	.			trans	-77.5	149.8	178.6	0	0	0	0	0	112	S1 T106 T107	S1-G3 VanDerWaalsContact C-N 3.33Å; G3-T106 WeakPolarHBondContact CA-OG1 3.11Å; G3-T107 CarbonylContact C-O 3.59Å; G3-T107 WeakPolarHBondContact CA-O 3.45Å
4	G	78.9	Confident	82.4	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	40%	0.403	S	S	.	.	S	Bend	trans	172.7	-171.4	-176.7	0	0	0	0	0	111.9	T107 T109	G4-T107 PolarHBondContact N-O 3.1Å; G4-T109 PolarHBondContact O-N 3.23Å; G4-T109 VanDerWaalsContact O-N 3.14Å
5	L	80.8	Confident	83.4	Confident	120 Å²	120	58.4 Å²	58.4	63%	0.628	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.2	172.5	177.4	62.7	0	0	0	109.7	T109 S111	L5-T109 WeakPolarHBondContact CA-O 3.22Å; L5-T109 HydrophobicContact CD1-CG2 4.07Å; L5-S111 VanDerWaalsContact CD1-OG 3.22Å; L5-S111 WeakPolarHBondContact CD1-OG 3.24Å
6	V	84.8	Confident	84.2	Confident	30 Å²	30	55.6 Å²	55.6	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.4	176.7	-62.1	0	0	0	0	111.3	L12 V80 L108 T109 V110 S111	V6-L12 HydrophobicContact CG1-CD1 4.39Å; V6-L12 HydrophobicContact CG1-CD2 4.21Å; V6-V80 HydrophobicContact CG2-CG2 3.86Å; V6-L108 HydrophobicContact CG1-CD1 4.29Å; V6-L108 HydrophobicContact CG2-CD1 3.66Å; V6-T109 PolarHBondContact N-O 3.26Å; V6-V110 HydrophobicContact CG2-CB 4.34Å; V6-V110 HydrophobicContact CG2-CG1 4.34Å; V6-V110 HydrophobicContact CG2-CG2 3.72Å; V6-V110 WeakPolarHBondContact O-CA 3.48Å; V6-S111 PolarHBondContact O-N 2.99Å
7	Q	85.3	Confident	84.9	Confident	111 Å²	111	57.1 Å²	57.1	52%	0.519	39%	0.391	S	S	.	.			trans	-73.6	144.2	175	-75.1	-69.9	-25.3	0	0	110.6	G10 S112	Q7-G10 PolarHBondContact O-N 3.32Å; Q7-S112 PolarHBondContact NE2-OXT 3.37Å; Q7-S112 PolarHBondContact OE1-OXT 3.03Å
8	P	88.9	Confident	85.5	Confident	64 Å²	64	54.8 Å²	54.8	42%	0.416	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	148.1	175.7	-23.2	32.6	0	0	0	112.7	G10 V80 V110	P8-G10 VanDerWaalsContact C-N 3.25Å; P8-G10 PolarHBondContact O-N 3.42Å; P8-V80 CarbonylContact C-O 3.53Å; P8-V80 WeakPolarHBondContact CA-O 3.27Å; P8-V110 HydrophobicContact CB-CG1 4.37Å; P8-V110 HydrophobicContact CG-CG1 4.1Å
9	G	86.7	Confident	85.9	Confident	55 Å²	55	57.2 Å²	57.2	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-12.1	178.1	0	0	0	0	0	114.9	V80	G9-V80 PolarHBondContact N-O 3.39Å
10	G	86.9	Confident	86.2	Confident	33 Å²	33	58.1 Å²	58.1	34%	0.34	41%	0.413	S	S	.	.			trans	-71.7	177	174.4	0	0	0	0	0	114.3	Q7 P8 K79 V80	Q7-G10 PolarHBondContact O-N 3.32Å; P8-G10 VanDerWaalsContact C-N 3.25Å; P8-G10 PolarHBondContact O-N 3.42Å; G10-K79 WeakPolarHBondContact O-CA 3.28Å; G10-K79 PolarHBondContact O-N 2.85Å; G10-V80 PolarHBondContact O-N 2.94Å
11	S	89.4	Confident	86.5	Confident	86 Å²	86	57.1 Å²	57.1	60%	0.601	40%	0.401	S	S	*	.			trans	-119.6	144	170.8	-62.1	0	0	0	0	109.8	M77	S11-M77 CarbonylContact C-O 3.59Å; S11-M77 WeakPolarHBondContact CA-O 3.49Å; S11-M77 WeakPolarHBondContact CB-O 3.42Å
12	L	91.5	Very high	88.2	Confident	35 Å²	35	55.7 Å²	55.7	18%	0.183	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.7	179.6	-178.4	69.8	0	0	0	110.1	V6 L14 Q76 M77 L108	V6-L12 HydrophobicContact CG1-CD1 4.39Å; V6-L12 HydrophobicContact CG1-CD2 4.21Å; L12-L14 HydrophobicContact CD2-CD2 3.79Å; L12-L14 HydrophobicContact CD2-CG 4.48Å; L12-L14 HydrophobicContact CG-CD2 4.39Å; L12-Q76 WeakPolarHBondContact O-CA 3.39Å; L12-M77 HydrophobicContact CB-CE 4.17Å; L12-M77 HydrophobicContact CD2-CE 3.95Å; L12-M77 HydrophobicContact CG-CE 4.23Å; L12-M77 PolarHBondContact N-O 2.96Å; L12-M77 PolarHBondContact O-N 3.14Å; L12-L108 HydrophobicContact CD2-CD1 3.38Å; L12-L108 HydrophobicContact CD2-CD2 4.32Å; L12-L108 HydrophobicContact CD2-CG 4.45Å
13	K	94.6	Very high	89.7	Confident	98 Å²	98	54 Å²	54	43%	0.426	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.5	171.5	-173	173.4	-179.1	173.7	0	110.2	Y74 L75 Q76	K13-Y74 HydrophobicContact CD-CD1 4.35Å; K13-Y74 VanDerWaalsContact CE-CB 3.42Å; K13-Y74 VanDerWaalsContact CE-CD1 3.41Å; K13-Y74 HydrophobicContact CG-CD1 4.36Å; K13-L75 CarbonylContact C-O 3.54Å; K13-L75 WeakPolarHBondContact CA-O 3.35Å; K13-Q76 HydrophobicContact CG-CB 4.46Å
14	L	96.4	Very high	91.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	153.6	170.3	-58.4	177.2	0	0	0	110.1	L12 W30 Y74 L75 M77 Y88 T106	L12-L14 HydrophobicContact CD2-CD2 3.79Å; L12-L14 HydrophobicContact CD2-CG 4.48Å; L12-L14 HydrophobicContact CG-CD2 4.39Å; L14-W30 HydrophobicContact CB-CH2 3.92Å; L14-W30 HydrophobicContact CB-CZ2 4.32Å; L14-W30 HydrophobicContact CD1-CZ3 4.46Å; L14-Y74 VanDerWaalsContact O-CA 3.22Å; L14-Y74 WeakPolarHBondContact O-CA 3.32Å; L14-L75 HydrophobicContact CB-CB 4.3Å; L14-L75 HydrophobicContact CD1-CD2 4.43Å; L14-L75 PolarHBondContact N-O 2.98Å; L14-L75 PolarHBondContact O-N 3.05Å; L14-M77 HydrophobicContact CD1-CE 3.65Å; L14-M77 HydrophobicContact CD2-CE 4.27Å; L14-M77 HydrophobicContact CG-CE 3.51Å; L14-Y88 HydrophobicContact CD1-CD1 3.98Å; L14-Y88 HydrophobicContact CD1-CD2 4.07Å; L14-Y88 HydrophobicContact CD1-CG 3.65Å; L14-T106 HydrophobicContact CD1-CG2 3.91Å; L14-T106 HydrophobicContact CD2-CG2 3.96Å; L14-T106 HydrophobicContact CG-CG2 4.38Å
15	S	97.2	Very high	92	Very high	35 Å²	35	62 Å²	62	25%	0.245	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.5	176	60.1	0	0	0	0	110.4	L73	S15-L73 CarbonylContact C-O 3.52Å; S15-L73 WeakPolarHBondContact CA-O 3.01Å
16	C	97	Very high	92.7	Very high	14 Å²	14	60.5 Å²	60.5	10%	0.095	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114.1	171.9	162.8	0	0	0	0	109.1	W30 T72 L73 C90	C16-W30 HydrophobicContact CB-CH2 3.98Å; C16-W30 HydrophobicContact CB-CZ2 4.09Å; C16-T72 CarbonylContact O-C 3.55Å; C16-T72 VanDerWaalsContact O-CA 3.32Å; C16-T72 WeakPolarHBondContact O-CA 3.38Å; C16-L73 HydrophobicContact CB-CB 4.48Å; C16-L73 PolarHBondContact N-O 2.95Å; C16-L73 PolarHBondContact O-N 3.11Å; C16-C90 HydrophobicContact CB-CB 3.44Å; C16-C90 VanDerWaalsContact CB-CB 3.44Å; C16-C90 WeakPolarHBondContact CB-SG 3.38Å; C16-C90 WeakPolarHBondContact SG-CB 3.47Å; C16-C90 CovalentContact SG-SG 2.01Å; C16-C90 PolarHBondContact SG-SG 3.01Å
17	A	96.3	Very high	93.3	Very high	80 Å²	80	63.2 Å²	63.2	66%	0.661	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.9	172.7	0	0	0	0	0	109.3
18	A	94.6	Very high	93.9	Very high	16 Å²	16	58.1 Å²	58.1	13%	0.132	36%	0.355	C	S	.	.			trans	-91.8	147.4	176.8	0	0	0	0	0	111	F21 F23 N71	A18-F21 HydrophobicContact CB-CE1 4.08Å; A18-F21 HydrophobicContact CB-CE2 4.48Å; A18-F21 HydrophobicContact CB-CZ 3.76Å; A18-F23 HydrophobicContact CB-CB 4.29Å; A18-F23 HydrophobicContact CB-CD2 3.43Å; A18-F23 VanDerWaalsContact CB-CD2 3.43Å; A18-F23 HydrophobicContact CB-CE2 4.08Å; A18-F23 HydrophobicContact CB-CG 4.2Å; A18-N71 PolarHBondContact N-O 2.94Å
19	S	93.1	Very high	94.3	Very high	100 Å²	100	55.1 Å²	55.1	70%	0.699	34%	0.335	S	S	*	.			trans	-147.6	160.4	174	59.9	0	0	0	0	109.9	F21	S19-F21 WeakPolarHBondContact O-CD1 3.41Å
20	G	92.4	Very high	94.9	Very high	75 Å²	75	52.6 Å²	52.6	77%	0.773	31%	0.308	S	S	*	.	S	Bend	trans	84.8	0.4	178.4	0	0	0	0	0	115.7
21	F	92.7	Very high	95.4	Very high	39 Å²	39	51.2 Å²	51.2	17%	0.171	29%	0.293	C	S	.	.	S	Bend	trans	-154.4	164.6	172.6	62.3	-84.3	0	0	0	111.2	A18 S19 F23 Y26 M28 R92 Y101	A18-F21 HydrophobicContact CB-CE1 4.08Å; A18-F21 HydrophobicContact CB-CE2 4.48Å; A18-F21 HydrophobicContact CB-CZ 3.76Å; S19-F21 WeakPolarHBondContact O-CD1 3.41Å; F21-F23 HydrophobicContact CE2-CB 4.3Å; F21-F23 HydrophobicContact CE2-CD2 4.34Å; F21-F23 PolarHBondContact O-N 2.86Å; F21-Y26 AromaticContact CD2-CD2 3.74Å; F21-Y26 HydrophobicContact CD2-CD2 3.74Å; F21-Y26 HydrophobicContact CD2-CE2 4.19Å; F21-Y26 HydrophobicContact CD2-CG 4.46Å; F21-Y26 HydrophobicContact CE2-CD2 4.29Å; F21-M28 HydrophobicContact CE2-SD 3.92Å; F21-M28 HydrophobicContact CZ-CE 4.16Å; F21-M28 HydrophobicContact CZ-SD 3.91Å; F21-R92 HydrophobicContact CE2-CG 4.39Å; F21-R92 HydrophobicContact CZ-CB 4.46Å; F21-Y101 HydrophobicContact CD1-CD1 4.12Å; F21-Y101 HydrophobicContact CD1-CE1 4.27Å; F21-Y101 HydrophobicContact CD1-CG 4.45Å; F21-Y101 HydrophobicContact CE1-CD1 4.22Å; F21-Y101 HydrophobicContact CE1-CG 4.35Å
22	D	95	Very high	95.7	Very high	80 Å²	80	48.3 Å²	48.3	43%	0.428	27%	0.269	S	S	.	.			trans	-75	88.1	173.8	-177.3	-3.8	0	0	0	110.4	S24 R25 Y26	D22-S24 PolarHBondContact O-N 2.79Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CB 3.31Å; D22-S24 PolarHBondContact OD1-N 3Å; D22-S24 PolarHBondContact OD1-OG 3.18Å; D22-R25 HydrophobicContact CB-CG 4.36Å; D22-R25 PolarHBondContact O-N 3.07Å; D22-R25 WeakPolarHBondContact OD2-CD 3.19Å; D22-R25 VanDerWaalsContact OD2-CG 3.22Å; D22-R25 WeakPolarHBondContact OD2-CG 3.34Å; D22-Y26 VanDerWaalsContact O-CD2 3.23Å; D22-Y26 WeakPolarHBondContact O-CD2 3.36Å
23	F	96.1	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-48.8	-37.3	-178.5	177.1	-96.7	0	0	0	112.9	A18 F21 R25 Y26 M28 R66 N68 N71 L73	A18-F23 HydrophobicContact CB-CB 4.29Å; A18-F23 HydrophobicContact CB-CD2 3.43Å; A18-F23 VanDerWaalsContact CB-CD2 3.43Å; A18-F23 HydrophobicContact CB-CE2 4.08Å; A18-F23 HydrophobicContact CB-CG 4.2Å; F21-F23 HydrophobicContact CE2-CB 4.3Å; F21-F23 HydrophobicContact CE2-CD2 4.34Å; F21-F23 PolarHBondContact O-N 2.86Å; F23-R25 PolarHBondContact O-N 3.12Å; F23-R25 VanDerWaalsContact O-N 3.11Å; F23-Y26 PolarHBondContact O-N 2.69Å; F23-M28 HydrophobicContact CD2-CE 4.32Å; F23-M28 HydrophobicContact CD2-CG 3.94Å; F23-M28 HydrophobicContact CD2-SD 3.95Å; F23-M28 HydrophobicContact CE2-CB 4.4Å; F23-M28 HydrophobicContact CE2-CE 4.03Å; F23-M28 HydrophobicContact CE2-CG 3.47Å; F23-M28 VanDerWaalsContact CE2-CG 3.47Å; F23-M28 HydrophobicContact CE2-SD 3.95Å; F23-M28 HydrophobicContact CZ-CG 4.04Å; F23-R66 HydrophobicContact CE1-CB 4.15Å; F23-R66 VanDerWaalsContact CE1-NH2 3.32Å; F23-R66 HydrophobicContact CZ-CB 4.12Å; F23-R66 PolarHBondContact O-NH2 2.92Å; F23-N68 WeakPolarHBondContact CD1-OD1 3.32Å; F23-N68 WeakPolarHBondContact CE1-OD1 3.37Å; F23-N71 HydrophobicContact CB-CB 3.94Å; F23-N71 WeakPolarHBondContact CB-OD1 3.4Å; F23-N71 HydrophobicContact CD1-CB 4.44Å; F23-N71 HydrophobicContact CG-CB 4.19Å; F23-L73 HydrophobicContact CE2-CB 4.23Å; F23-L73 HydrophobicContact CZ-CB 4.15Å
24	S	96.2	Very high	96.1	Very high	43 Å²	43	46.7 Å²	46.7	30%	0.301	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.4	-18.9	-176.3	77.8	0	0	0	0	113.8	D22 P47	D22-S24 PolarHBondContact O-N 2.79Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CB 3.31Å; D22-S24 PolarHBondContact OD1-N 3Å; D22-S24 PolarHBondContact OD1-OG 3.18Å; S24-P47 VanDerWaalsContact O-CB 3.29Å; S24-P47 WeakPolarHBondContact O-CB 3.32Å
25	R	95.6	Very high	96	Very high	187 Å²	187	51.6 Å²	51.6	71%	0.706	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-96.9	-8.5	-176.4	-65.5	-172.4	70.9	175.5	4.6	114.8	D22 F23	D22-R25 HydrophobicContact CB-CG 4.36Å; D22-R25 PolarHBondContact O-N 3.07Å; D22-R25 WeakPolarHBondContact OD2-CD 3.19Å; D22-R25 VanDerWaalsContact OD2-CG 3.22Å; D22-R25 WeakPolarHBondContact OD2-CG 3.34Å; F23-R25 PolarHBondContact O-N 3.12Å; F23-R25 VanDerWaalsContact O-N 3.11Å
26	Y	95.9	Very high	95.9	Very high	89 Å²	89	54.1 Å²	54.1	35%	0.349	33%	0.33	S	S	.	.	S	Bend	trans	-114.1	149.1	-174.6	-65	-89	0	0	0	112	F21 D22 F23 R66 R92	F21-Y26 AromaticContact CD2-CD2 3.74Å; F21-Y26 HydrophobicContact CD2-CD2 3.74Å; F21-Y26 HydrophobicContact CD2-CE2 4.19Å; F21-Y26 HydrophobicContact CD2-CG 4.46Å; F21-Y26 HydrophobicContact CE2-CD2 4.29Å; D22-Y26 VanDerWaalsContact O-CD2 3.23Å; D22-Y26 WeakPolarHBondContact O-CD2 3.36Å; F23-Y26 PolarHBondContact O-N 2.69Å; Y26-R66 PolarHBondContact O-NH1 3.26Å; Y26-R92 HydrophobicContact CD1-CG 4.23Å; Y26-R92 HydrophobicContact CG-CG 4.19Å
27	W	97.1	Very high	95.8	Very high	87 Å²	87	60.5 Å²	60.5	33%	0.33	36%	0.356	S	S	.	.			trans	-62.9	154.2	158.8	-72.6	64.3	0	0	0	109	E44 I45 N46 T51 P93	W27-E44 HydrophobicContact CE3-CB 4.26Å; W27-E44 HydrophobicContact CE3-CG 3.5Å; W27-E44 VanDerWaalsContact CE3-CG 3.5Å; W27-E44 HydrophobicContact CZ3-CG 3.65Å; W27-E44 WeakPolarHBondContact CZ3-OE1 3.2Å; W27-I45 VanDerWaalsContact CA-O 3.32Å; W27-I45 WeakPolarHBondContact CA-O 3.44Å; W27-N46 HydrophobicContact CD2-CB 3.67Å; W27-N46 HydrophobicContact CE3-CB 4Å; W27-N46 HydrophobicContact CG-CB 4.31Å; W27-N46 HydrophobicContact CH2-CB 3.83Å; W27-N46 HydrophobicContact CZ2-CB 3.45Å; W27-N46 VanDerWaalsContact CZ2-CB 3.45Å; W27-N46 HydrophobicContact CZ3-CB 4.08Å; W27-T51 HydrophobicContact CH2-CG2 3.94Å; W27-P93 HydrophobicContact CB-CG 3.71Å; W27-P93 WeakPolarHBondContact O-CD 3.23Å
28	M	98	Very high	95.8	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.6	-179.6	-66	-62.2	-52.1	0	0	109.6	F21 F23 E44 I45 L73 R92	F21-M28 HydrophobicContact CE2-SD 3.92Å; F21-M28 HydrophobicContact CZ-CE 4.16Å; F21-M28 HydrophobicContact CZ-SD 3.91Å; F23-M28 HydrophobicContact CD2-CE 4.32Å; F23-M28 HydrophobicContact CD2-CG 3.94Å; F23-M28 HydrophobicContact CD2-SD 3.95Å; F23-M28 HydrophobicContact CE2-CB 4.4Å; F23-M28 HydrophobicContact CE2-CE 4.03Å; F23-M28 HydrophobicContact CE2-CG 3.47Å; F23-M28 VanDerWaalsContact CE2-CG 3.47Å; F23-M28 HydrophobicContact CE2-SD 3.95Å; F23-M28 HydrophobicContact CZ-CG 4.04Å; M28-E44 CarbonylContact O-C 3.43Å; M28-E44 WeakPolarHBondContact O-CA 3.49Å; M28-E44 WeakPolarHBondContact O-CB 3.42Å; M28-I45 HydrophobicContact CB-CG2 4.46Å; M28-I45 PolarHBondContact N-O 3.35Å; M28-I45 PolarHBondContact O-N 3.14Å; M28-L73 HydrophobicContact CB-CD1 3.81Å; M28-L73 HydrophobicContact CB-CD2 3.94Å; M28-L73 HydrophobicContact CB-CG 4.38Å; M28-R92 HydrophobicContact CE-CB 4.43Å; M28-R92 HydrophobicContact SD-CB 4.12Å; M28-R92 HydrophobicContact SD-CG 4.13Å
29	S	97.9	Very high	95.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.6	-173.4	-48.7	0	0	0	0	112.1	G43 E44 C90 A91 F99	S29-G43 CarbonylContact C-O 3.6Å; S29-G43 VanDerWaalsContact CA-O 3.26Å; S29-G43 WeakPolarHBondContact CA-O 3.08Å; S29-E44 WeakPolarHBondContact OG-CB 3.39Å; S29-C90 CarbonylContact O-C 3.55Å; S29-C90 VanDerWaalsContact O-CA 3.27Å; S29-C90 WeakPolarHBondContact O-CA 3.4Å; S29-A91 PolarHBondContact N-O 3.12Å; S29-A91 PolarHBondContact O-N 2.81Å; S29-F99 WeakPolarHBondContact OG-CE1 3.32Å
30	W	98.1	Very high	96.1	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.011	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.7	162.2	-80.2	99.5	0	0	0	110.1	L14 C16 I42 G43 L73 Y74 L75 Y89	L14-W30 HydrophobicContact CB-CH2 3.92Å; L14-W30 HydrophobicContact CB-CZ2 4.32Å; L14-W30 HydrophobicContact CD1-CZ3 4.46Å; C16-W30 HydrophobicContact CB-CH2 3.98Å; C16-W30 HydrophobicContact CB-CZ2 4.09Å; W30-I42 HydrophobicContact CB-CB 4.14Å; W30-I42 HydrophobicContact CB-CD1 4.1Å; W30-I42 WeakPolarHBondContact O-CB 3.43Å; W30-I42 PolarHBondContact O-N 3.01Å; W30-G43 PolarHBondContact N-O 2.93Å; W30-L73 HydrophobicContact CD2-CD2 4.34Å; W30-L73 HydrophobicContact CG-CD2 4.19Å; W30-L73 HydrophobicContact CZ2-CD2 4.45Å; W30-L73 VanDerWaalsContact NE1-CD2 3.26Å; W30-Y74 PolarHBondContact NE1-O 2.84Å; W30-L75 HydrophobicContact CB-CD1 4.28Å; W30-L75 HydrophobicContact CB-CD2 4.41Å; W30-L75 HydrophobicContact CD2-CB 3.86Å; W30-L75 HydrophobicContact CD2-CD2 4.08Å; W30-L75 HydrophobicContact CD2-CG 4.41Å; W30-L75 HydrophobicContact CE3-CD2 4.26Å; W30-L75 HydrophobicContact CG-CB 4.1Å; W30-L75 HydrophobicContact CG-CD1 3.98Å; W30-L75 HydrophobicContact CG-CD2 4.14Å; W30-L75 HydrophobicContact CG-CG 4.32Å; W30-L75 HydrophobicContact CZ2-CB 3.95Å; W30-Y89 CarbonylContact C-O 3.43Å; W30-Y89 WeakPolarHBondContact CA-O 3.48Å
31	V	97.9	Very high	96.3	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.5	176.5	-177.5	0	0	0	0	107.2	L39 E40 Y89 F99 W102	V31-L39 HydrophobicContact CG1-CB 3.93Å; V31-L39 HydrophobicContact CG1-CD2 3.88Å; V31-L39 HydrophobicContact CG1-CG 4.43Å; V31-E40 CarbonylContact C-O 3.58Å; V31-E40 WeakPolarHBondContact CA-O 3.23Å; V31-E40 WeakPolarHBondContact CG1-O 3.38Å; V31-Y89 PolarHBondContact N-O 3.11Å; V31-Y89 PolarHBondContact O-N 3.29Å; V31-F99 HydrophobicContact CG2-CE2 4.31Å; V31-F99 HydrophobicContact CG2-CZ 4.41Å; V31-W102 HydrophobicContact CB-CH2 4.29Å; V31-W102 HydrophobicContact CB-CZ3 3.91Å; V31-W102 HydrophobicContact CG1-CH2 4.13Å; V31-W102 HydrophobicContact CG1-CZ3 4.03Å; V31-W102 HydrophobicContact CG2-CH2 4.01Å; V31-W102 HydrophobicContact CG2-CZ3 3.97Å
32	R	97	Very high	96.5	Very high	26 Å²	26	59.6 Å²	59.6	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.5	172.5	67.9	175.9	-173.9	175.8	0.7	112.3	E40 I42 D84 A86 L87 Y88	R32-E40 HydrophobicContact CG-CB 4.22Å; R32-E40 IonicContact CZ-OE2 2.83Å; R32-E40 PolarHBondContact N-O 2.76Å; R32-E40 IonicContact NE-OE2 3.39Å; R32-E40 PolarHBondContact NE-OE2 3.01Å; R32-E40 IonicContact NH2-OE1 2.69Å; R32-E40 IonicContact NH2-OE2 3.56Å; R32-E40 PolarHBondContact NH2-OE2 2.8Å; R32-E40 PolarHBondContact O-N 3.37Å; R32-I42 HydrophobicContact CB-CD1 3.9Å; R32-I42 HydrophobicContact CB-CG1 4.46Å; R32-I42 HydrophobicContact CG-CD1 3.97Å; R32-I42 HydrophobicContact CG-CG1 4.06Å; R32-D84 IonicContact NH1-OD1 3.52Å; R32-A86 HydrophobicContact CB-CB 4.1Å; R32-L87 CarbonylContact C-O 3.44Å; R32-L87 WeakPolarHBondContact CA-O 3.32Å; R32-Y88 HydrophobicContact CB-CD1 3.89Å; R32-Y88 HydrophobicContact CB-CE1 3.9Å; R32-Y88 HydrophobicContact CB-CG 4.3Å
33	Q	97.6	Very high	96.6	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.332	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	105.3	172.9	-168	176.4	21.9	0	0	109.5	K37 L39 A86 L87 Y89	Q33-K37 WeakPolarHBondContact CG-O 3.42Å; Q33-K37 PolarHBondContact NE2-O 2.85Å; Q33-L39 HydrophobicContact CB-CD2 4.08Å; Q33-A86 WeakPolarHBondContact O-CA 3.23Å; Q33-A86 WeakPolarHBondContact O-CB 3.3Å; Q33-L87 HydrophobicContact CB-CB 4.47Å; Q33-L87 PolarHBondContact N-O 2.82Å; Q33-L87 PolarHBondContact O-N 2.81Å; Q33-Y89 HydrophobicContact CB-CE2 4.14Å
34	A	96	Very high	96.7	Very high	28 Å²	28	57.5 Å²	57.5	23%	0.231	31%	0.306	C	S	.	.			trans	-73.3	153.3	172.4	0	0	0	0	0	110.6	G36 K37 A86	A34-G36 PolarHBondContact O-N 3.36Å; A34-K37 HydrophobicContact CB-CB 4.15Å; A34-K37 HydrophobicContact CB-CG 3.99Å; A34-K37 WeakPolarHBondContact O-CB 3.17Å; A34-K37 PolarHBondContact O-N 2.83Å; A34-A86 HydrophobicContact CB-CB 4.47Å
35	P	94.5	Very high	96.8	Very high	103 Å²	103	55.5 Å²	55.5	67%	0.669	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.6	176.7	-26.8	34.7	0	0	0	112.2	K37 T85	P35-K37 PolarHBondContact O-N 3.49Å; P35-T85 VanDerWaalsContact CD-O 3.27Å; P35-T85 WeakPolarHBondContact CD-O 3.37Å
36	G	95.6	Very high	96.9	Very high	88 Å²	88	47.2 Å²	47.2	91%	0.907	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	12.1	-179.2	0	0	0	0	0	115.2	A34	A34-G36 PolarHBondContact O-N 3.36Å
37	K	95.4	Very high	96.9	Very high	147 Å²	147	44.6 Å²	44.6	64%	0.639	26%	0.256	S	S	*	.			trans	-116.3	160.8	176.8	-58.8	-64.3	-175.9	178.6	0	111.6	Q33 A34 P35	Q33-K37 WeakPolarHBondContact CG-O 3.42Å; Q33-K37 PolarHBondContact NE2-O 2.85Å; A34-K37 HydrophobicContact CB-CB 4.15Å; A34-K37 HydrophobicContact CB-CG 3.99Å; A34-K37 WeakPolarHBondContact O-CB 3.17Å; A34-K37 PolarHBondContact O-N 2.83Å; P35-K37 PolarHBondContact O-N 3.49Å
38	G	95.8	Very high	96.9	Very high	53 Å²	53	45.6 Å²	45.6	55%	0.546	27%	0.268	S	S	.	.			trans	-72.4	178.8	169	0	0	0	0	0	112.3
39	L	96.1	Very high	96.9	Very high	99 Å²	99	47.9 Å²	47.9	52%	0.518	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.9	172.7	-67.5	168.5	0	0	0	110.2	V31 Q33 Y89 W102	V31-L39 HydrophobicContact CG1-CB 3.93Å; V31-L39 HydrophobicContact CG1-CD2 3.88Å; V31-L39 HydrophobicContact CG1-CG 4.43Å; Q33-L39 HydrophobicContact CB-CD2 4.08Å; L39-Y89 HydrophobicContact CD2-CD2 4.32Å; L39-Y89 HydrophobicContact CD2-CE2 4.22Å; L39-W102 HydrophobicContact CD1-CH2 4Å
40	E	96.4	Very high	96.9	Very high	67 Å²	67	52 Å²	52	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.4	175.7	-176.2	-177	-159.5	0	0	108.8	V31 R32 L58	V31-E40 CarbonylContact C-O 3.58Å; V31-E40 WeakPolarHBondContact CA-O 3.23Å; V31-E40 WeakPolarHBondContact CG1-O 3.38Å; R32-E40 HydrophobicContact CG-CB 4.22Å; R32-E40 IonicContact CZ-OE2 2.83Å; R32-E40 PolarHBondContact N-O 2.76Å; R32-E40 IonicContact NE-OE2 3.39Å; R32-E40 PolarHBondContact NE-OE2 3.01Å; R32-E40 IonicContact NH2-OE1 2.69Å; R32-E40 IonicContact NH2-OE2 3.56Å; R32-E40 PolarHBondContact NH2-OE2 2.8Å; R32-E40 PolarHBondContact O-N 3.37Å; E40-L58 HydrophobicContact CG-CD1 4.37Å
41	W	96.9	Very high	96.9	Very high	72 Å²	72	54.5 Å²	54.5	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.1	174.1	-178.5	81.9	0	0	0	110.1	G43 E44 N53 T55 F99	W41-G43 VanDerWaalsContact CZ2-C 3.5Å; W41-E44 HydrophobicContact CH2-CG 4.38Å; W41-E44 HydrophobicContact CZ2-CB 3.87Å; W41-E44 HydrophobicContact CZ2-CG 3.63Å; W41-N53 HydrophobicContact CH2-CB 3.85Å; W41-N53 HydrophobicContact CZ2-CB 4.5Å; W41-T55 PolarHBondContact O-OG1 2.62Å; W41-F99 AromaticContact CD1-CZ 3.71Å
42	I	97.3	Very high	96.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-46.9	-180	-65.4	166.5	0	0	0	110.2	W30 R32 Y54 T55 L58 F62 L75 Y88	W30-I42 HydrophobicContact CB-CB 4.14Å; W30-I42 HydrophobicContact CB-CD1 4.1Å; W30-I42 WeakPolarHBondContact O-CB 3.43Å; W30-I42 PolarHBondContact O-N 3.01Å; R32-I42 HydrophobicContact CB-CD1 3.9Å; R32-I42 HydrophobicContact CB-CG1 4.46Å; R32-I42 HydrophobicContact CG-CD1 3.97Å; R32-I42 HydrophobicContact CG-CG1 4.06Å; I42-Y54 WeakPolarHBondContact O-CA 3.45Å; I42-T55 PolarHBondContact O-N 3.16Å; I42-L58 HydrophobicContact CB-CD1 4.43Å; I42-L58 HydrophobicContact CG1-CD1 4.08Å; I42-L58 HydrophobicContact CG2-CD1 4.5Å; I42-F62 HydrophobicContact CG2-CB 3.97Å; I42-F62 HydrophobicContact CG2-CD1 4.44Å; I42-F62 HydrophobicContact CG2-CD2 3.98Å; I42-F62 HydrophobicContact CG2-CG 3.87Å; I42-L75 HydrophobicContact CD1-CD2 3.93Å; I42-L75 HydrophobicContact CG2-CD1 4.31Å; I42-Y88 HydrophobicContact CD1-CD1 3.81Å; I42-Y88 HydrophobicContact CD1-CE1 3.72Å
43	G	97.4	Very high	96.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	177.1	-173.1	0	0	0	0	0	112.1	S29 W30 W41 N53	S29-G43 CarbonylContact C-O 3.6Å; S29-G43 VanDerWaalsContact CA-O 3.26Å; S29-G43 WeakPolarHBondContact CA-O 3.08Å; W30-G43 PolarHBondContact N-O 2.93Å; W41-G43 VanDerWaalsContact CZ2-C 3.5Å; G43-N53 CarbonylContact C-O 3.59Å; G43-N53 WeakPolarHBondContact CA-O 2.98Å
44	E	97.5	Very high	96.9	Very high	36 Å²	36	58 Å²	58	17%	0.168	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.3	179.3	69.7	-174.9	168.4	0	0	112.1	W27 M28 S29 W41 I52 N53	W27-E44 HydrophobicContact CE3-CB 4.26Å; W27-E44 HydrophobicContact CE3-CG 3.5Å; W27-E44 VanDerWaalsContact CE3-CG 3.5Å; W27-E44 HydrophobicContact CZ3-CG 3.65Å; W27-E44 WeakPolarHBondContact CZ3-OE1 3.2Å; M28-E44 CarbonylContact O-C 3.43Å; M28-E44 WeakPolarHBondContact O-CA 3.49Å; M28-E44 WeakPolarHBondContact O-CB 3.42Å; S29-E44 WeakPolarHBondContact OG-CB 3.39Å; W41-E44 HydrophobicContact CH2-CG 4.38Å; W41-E44 HydrophobicContact CZ2-CB 3.87Å; W41-E44 HydrophobicContact CZ2-CG 3.63Å; E44-I52 CarbonylContact O-C 3.59Å; E44-I52 VanDerWaalsContact O-CA 3.3Å; E44-I52 WeakPolarHBondContact O-CA 3.46Å; E44-I52 VanDerWaalsContact O-CG2 3.23Å; E44-I52 WeakPolarHBondContact O-CG2 3.01Å; E44-N53 HydrophobicContact CG-CB 4.1Å; E44-N53 PolarHBondContact N-O 2.62Å; E44-N53 PolarHBondContact O-N 3.44Å; E44-N53 PolarHBondContact OE1-ND2 2.8Å
45	I	98.4	Very high	96.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.2	179.5	-175	161.3	0	0	0	110.2	W27 M28 I52 I64 R66 L73	W27-I45 VanDerWaalsContact CA-O 3.32Å; W27-I45 WeakPolarHBondContact CA-O 3.44Å; M28-I45 HydrophobicContact CB-CG2 4.46Å; M28-I45 PolarHBondContact N-O 3.35Å; M28-I45 PolarHBondContact O-N 3.14Å; I45-I52 HydrophobicContact CB-CG1 4.4Å; I45-I52 HydrophobicContact CB-CG2 4.5Å; I45-I52 HydrophobicContact CD1-CD1 3.9Å; I45-I52 HydrophobicContact CD1-CG1 3.97Å; I45-I52 HydrophobicContact CG1-CD1 4.47Å; I45-I52 HydrophobicContact CG1-CG1 3.98Å; I45-I64 HydrophobicContact CB-CG2 3.84Å; I45-I64 HydrophobicContact CD1-CG2 4.48Å; I45-I64 HydrophobicContact CG2-CG2 3.59Å; I45-R66 HydrophobicContact CD1-CG 4Å; I45-R66 HydrophobicContact CG1-CG 4.43Å; I45-R66 HydrophobicContact CG2-CB 4.46Å; I45-L73 HydrophobicContact CG2-CD1 3.51Å
46	N	97.4	Very high	96.8	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	35%	0.35	C	S	.	.			trans	-78.2	166	179.2	75	-21	0	0	0	112.4	W27 D48 S49 S50 T51 R66	W27-N46 HydrophobicContact CD2-CB 3.67Å; W27-N46 HydrophobicContact CE3-CB 4Å; W27-N46 HydrophobicContact CG-CB 4.31Å; W27-N46 HydrophobicContact CH2-CB 3.83Å; W27-N46 HydrophobicContact CZ2-CB 3.45Å; W27-N46 VanDerWaalsContact CZ2-CB 3.45Å; W27-N46 HydrophobicContact CZ3-CB 4.08Å; N46-D48 PolarHBondContact ND2-OD1 2.96Å; N46-D48 PolarHBondContact O-N 2.01Å; N46-D48 PolarHBondContact OD1-OD1 2.83Å; N46-S49 PolarHBondContact O-N 2.89Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-C 3.28Å; N46-S49 VanDerWaalsContact OD1-CA 3.24Å; N46-S49 WeakPolarHBondContact OD1-CA 3.39Å; N46-S49 PolarHBondContact OD1-N 2.84Å; N46-S49 VanDerWaalsContact OD1-N 3.09Å; N46-S50 PolarHBondContact ND2-OG 3.07Å; N46-S50 PolarHBondContact OD1-N 2.82Å; N46-T51 PolarHBondContact N-O 2.78Å; N46-T51 VanDerWaalsContact N-O 3.12Å; N46-T51 PolarHBondContact ND2-N 2.73Å; N46-T51 PolarHBondContact OD1-N 2.63Å; N46-T51 PolarHBondContact OD1-O 2.84Å; N46-T51 VanDerWaalsContact OD1-O 3.1Å; N46-R66 VanDerWaalsContact C-NH1 3.32Å; N46-R66 VanDerWaalsContact O-CD 3.31Å; N46-R66 WeakPolarHBondContact O-CD 3.33Å; N46-R66 PolarHBondContact O-NH1 3.1Å
47	P	97.6	Very high	96.6	Very high	34 Å²	34	59.2 Å²	59.2	22%	0.221	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-47.2	-179.8	-41.2	44.1	0	0	0	117.2	S24 R66 N68	S24-P47 VanDerWaalsContact O-CB 3.29Å; S24-P47 WeakPolarHBondContact O-CB 3.32Å; P47-R66 VanDerWaalsContact CA-NH1 3.26Å; P47-N68 PolarHBondContact O-ND2 2.9Å
48	D	96.8	Very high	96.4	Very high	108 Å²	108	52.7 Å²	52.7	58%	0.578	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.5	-174.8	67.2	-5	0	0	0	112.9	N46 S50	N46-D48 PolarHBondContact ND2-OD1 2.96Å; N46-D48 PolarHBondContact O-N 2.01Å; N46-D48 PolarHBondContact OD1-OD1 2.83Å; D48-S50 PolarHBondContact O-N 2.84Å; D48-S50 WeakPolarHBondContact OD1-CB 3.48Å; D48-S50 PolarHBondContact OD1-N 2.99Å; D48-S50 PolarHBondContact OD1-OG 3.01Å; D48-S50 PolarHBondContact OD2-OG 2.91Å
49	S	97.6	Very high	96.1	Very high	53 Å²	53	56.4 Å²	56.4	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	62.5	13.4	-176.5	-46.8	0	0	0	0	115.3	N46 T51 R66	N46-S49 PolarHBondContact O-N 2.89Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-C 3.28Å; N46-S49 VanDerWaalsContact OD1-CA 3.24Å; N46-S49 WeakPolarHBondContact OD1-CA 3.39Å; N46-S49 PolarHBondContact OD1-N 2.84Å; N46-S49 VanDerWaalsContact OD1-N 3.09Å; S49-T51 VanDerWaalsContact C-N 3.32Å; S49-R66 WeakPolarHBondContact OG-CD 3.38Å; S49-R66 WeakPolarHBondContact OG-CG 3.38Å
50	S	97.8	Very high	95.8	Very high	85 Å²	85	59.3 Å²	59.3	59%	0.594	33%	0.328	S	S	*	.	S	Bend	trans	-74.2	-23.5	178	65.1	0	0	0	0	113.2	N46 D48	N46-S50 PolarHBondContact ND2-OG 3.07Å; N46-S50 PolarHBondContact OD1-N 2.82Å; D48-S50 PolarHBondContact O-N 2.84Å; D48-S50 WeakPolarHBondContact OD1-CB 3.48Å; D48-S50 PolarHBondContact OD1-N 2.99Å; D48-S50 PolarHBondContact OD1-OG 3.01Å; D48-S50 PolarHBondContact OD2-OG 2.91Å
51	T	97.9	Very high	95.5	Very high	56 Å²	56	58 Å²	58	34%	0.344	32%	0.321	S	S	.	.			trans	-128.3	131.8	-178.8	-54.8	0	0	0	0	110.7	W27 N46 S49	W27-T51 HydrophobicContact CH2-CG2 3.94Å; N46-T51 PolarHBondContact N-O 2.78Å; N46-T51 VanDerWaalsContact N-O 3.12Å; N46-T51 PolarHBondContact ND2-N 2.73Å; N46-T51 PolarHBondContact OD1-N 2.63Å; N46-T51 PolarHBondContact OD1-O 2.84Å; N46-T51 VanDerWaalsContact OD1-O 3.1Å; S49-T51 VanDerWaalsContact C-N 3.32Å
52	I	97.9	Very high	95.4	Very high	64 Å²	64	54.6 Å²	54.6	33%	0.328	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.8	172.6	-45	179.1	0	0	0	108.8	E44 I45 Y54 I64	E44-I52 CarbonylContact O-C 3.59Å; E44-I52 VanDerWaalsContact O-CA 3.3Å; E44-I52 WeakPolarHBondContact O-CA 3.46Å; E44-I52 VanDerWaalsContact O-CG2 3.23Å; E44-I52 WeakPolarHBondContact O-CG2 3.01Å; I45-I52 HydrophobicContact CB-CG1 4.4Å; I45-I52 HydrophobicContact CB-CG2 4.5Å; I45-I52 HydrophobicContact CD1-CD1 3.9Å; I45-I52 HydrophobicContact CD1-CG1 3.97Å; I45-I52 HydrophobicContact CG1-CD1 4.47Å; I45-I52 HydrophobicContact CG1-CG1 3.98Å; I52-Y54 HydrophobicContact CB-CE2 3.9Å; I52-Y54 HydrophobicContact CG2-CD2 4.02Å; I52-Y54 HydrophobicContact CG2-CE1 4.33Å; I52-Y54 HydrophobicContact CG2-CE2 3.28Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.46Å; I52-I64 HydrophobicContact CG2-CB 4.19Å; I52-I64 HydrophobicContact CG2-CD1 4.46Å
53	N	97.1	Very high	95.4	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.7	174.8	-61.2	-37.7	0	0	0	109.5	W41 G43 E44	W41-N53 HydrophobicContact CH2-CB 3.85Å; W41-N53 HydrophobicContact CZ2-CB 4.5Å; G43-N53 CarbonylContact C-O 3.59Å; G43-N53 WeakPolarHBondContact CA-O 2.98Å; E44-N53 HydrophobicContact CG-CB 4.1Å; E44-N53 PolarHBondContact N-O 2.62Å; E44-N53 PolarHBondContact O-N 3.44Å; E44-N53 PolarHBondContact OE1-ND2 2.8Å
54	Y	97.3	Very high	95.4	Very high	44 Å²	44	59 Å²	59	17%	0.173	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.9	179.7	-69.6	-86.3	0	0	0	110.8	I42 I52 K59 F62 I64	I42-Y54 WeakPolarHBondContact O-CA 3.45Å; I52-Y54 HydrophobicContact CB-CE2 3.9Å; I52-Y54 HydrophobicContact CG2-CD2 4.02Å; I52-Y54 HydrophobicContact CG2-CE1 4.33Å; I52-Y54 HydrophobicContact CG2-CE2 3.28Å; I52-Y54 VanDerWaalsContact CG2-CZ 3.46Å; Y54-K59 HydrophobicContact CD2-CB 4.49Å; Y54-K59 HydrophobicContact CD2-CG 3.92Å; Y54-K59 HydrophobicContact CG-CB 4.17Å; Y54-K59 HydrophobicContact CG-CG 4.1Å; Y54-F62 HydrophobicContact CE1-CB 4.44Å; Y54-F62 VanDerWaalsContact CE1-O 3.32Å; Y54-F62 WeakPolarHBondContact CE1-O 3.18Å; Y54-I64 HydrophobicContact CD1-CD1 4.32Å; Y54-I64 HydrophobicContact CE1-CD1 3.81Å; Y54-I64 HydrophobicContact CE1-CG1 3.83Å; Y54-I64 PolarHBondContact OH-N 3.39Å
55	T	95.8	Very high	95.5	Very high	31 Å²	31	59 Å²	59	19%	0.19	34%	0.335	C	S	.	.			trans	-62.3	126.4	157.4	-67.6	0	0	0	0	108.5	W41 I42 S57 L58 K59	W41-T55 PolarHBondContact O-OG1 2.62Å; I42-T55 PolarHBondContact O-N 3.16Å; T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 WeakPolarHBondContact CG2-OG 3.44Å; T55-S57 PolarHBondContact O-N 2.76Å; T55-S57 VanDerWaalsContact O-N 3.12Å; T55-L58 HydrophobicContact CG2-CD1 4.35Å; T55-L58 HydrophobicContact CG2-CG 4.21Å; T55-L58 PolarHBondContact O-N 3.22Å; T55-K59 PolarHBondContact O-N 3.2Å
56	P	93.9	Very high	95.5	Very high	117 Å²	117	60.1 Å²	60.1	76%	0.76	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.2	-171.8	-31	35.9	0	0	0	114.7	L58	P56-L58 PolarHBondContact O-N 2.87Å
57	S	90.7	Very high	95.5	Very high	96 Å²	96	61.5 Å²	61.5	67%	0.671	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.8	179.3	55.1	0	0	0	0	114.5	T55	T55-S57 VanDerWaalsContact C-N 3.27Å; T55-S57 WeakPolarHBondContact CG2-OG 3.44Å; T55-S57 PolarHBondContact O-N 2.76Å; T55-S57 VanDerWaalsContact O-N 3.12Å
58	L	90.6	Very high	95.5	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-13.5	-173.4	-57.6	-175.4	0	0	0	112.9	E40 I42 T55 P56 D60 K61 F62	E40-L58 HydrophobicContact CG-CD1 4.37Å; I42-L58 HydrophobicContact CB-CD1 4.43Å; I42-L58 HydrophobicContact CG1-CD1 4.08Å; I42-L58 HydrophobicContact CG2-CD1 4.5Å; T55-L58 HydrophobicContact CG2-CD1 4.35Å; T55-L58 HydrophobicContact CG2-CG 4.21Å; T55-L58 PolarHBondContact O-N 3.22Å; P56-L58 PolarHBondContact O-N 2.87Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.91Å; L58-K61 PolarHBondContact O-N 3.27Å; L58-F62 HydrophobicContact CB-CD2 3.83Å; L58-F62 HydrophobicContact CB-CE2 4.07Å; L58-F62 HydrophobicContact CD1-CE2 4.45Å; L58-F62 HydrophobicContact CD2-CE2 4.04Å; L58-F62 HydrophobicContact CG-CE2 4.4Å; L58-F62 WeakPolarHBondContact O-CD2 3.27Å; L58-F62 PolarHBondContact O-N 3.36Å
59	K	89.4	Confident	95.5	Very high	130 Å²	130	62.1 Å²	62.1	57%	0.565	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.8	-173.7	-176.9	179.8	176.5	-176.4	0	114.2	Y54 T55 K61	Y54-K59 HydrophobicContact CD2-CB 4.49Å; Y54-K59 HydrophobicContact CD2-CG 3.92Å; Y54-K59 HydrophobicContact CG-CB 4.17Å; Y54-K59 HydrophobicContact CG-CG 4.1Å; T55-K59 PolarHBondContact O-N 3.2Å; K59-K61 PolarHBondContact O-N 3.05Å
60	D	90.1	Very high	95.5	Very high	160 Å²	160	65.9 Å²	65.9	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.1	-175.3	-61.5	-31.1	0	0	0	113.4	L58	L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.91Å
61	K	91.3	Very high	95.5	Very high	39 Å²	39	64.9 Å²	64.9	17%	0.17	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-34.9	-173.9	-170.5	170.5	-164.3	173.4	0	113.4	L58 K59 D84	L58-K61 PolarHBondContact O-N 3.27Å; K59-K61 PolarHBondContact O-N 3.05Å; K61-D84 WeakPolarHBondContact CE-OD1 3.37Å; K61-D84 WeakPolarHBondContact CE-OD2 3.41Å; K61-D84 IonicContact NZ-OD1 3.46Å; K61-D84 PolarHBondContact NZ-OD1 3Å; K61-D84 IonicContact NZ-OD2 3.36Å; K61-D84 PolarHBondContact NZ-OD2 3.2Å
62	F	94.4	Very high	95.5	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.9	-173.7	-62.3	-83.5	0	0	0	110.8	I42 Y54 L58 L75 Q76 M77 Y88	I42-F62 HydrophobicContact CG2-CB 3.97Å; I42-F62 HydrophobicContact CG2-CD1 4.44Å; I42-F62 HydrophobicContact CG2-CD2 3.98Å; I42-F62 HydrophobicContact CG2-CG 3.87Å; Y54-F62 HydrophobicContact CE1-CB 4.44Å; Y54-F62 VanDerWaalsContact CE1-O 3.32Å; Y54-F62 WeakPolarHBondContact CE1-O 3.18Å; L58-F62 HydrophobicContact CB-CD2 3.83Å; L58-F62 HydrophobicContact CB-CE2 4.07Å; L58-F62 HydrophobicContact CD1-CE2 4.45Å; L58-F62 HydrophobicContact CD2-CE2 4.04Å; L58-F62 HydrophobicContact CG-CE2 4.4Å; L58-F62 WeakPolarHBondContact O-CD2 3.27Å; L58-F62 PolarHBondContact O-N 3.36Å; F62-L75 HydrophobicContact CB-CD1 3.85Å; F62-L75 HydrophobicContact CD1-CD1 3.89Å; F62-L75 HydrophobicContact CD1-CD2 3.72Å; F62-L75 HydrophobicContact CD1-CG 3.83Å; F62-L75 HydrophobicContact CE1-CD2 4.08Å; F62-L75 HydrophobicContact CG-CD1 4.23Å; F62-Q76 WeakPolarHBondContact CA-O 3.4Å; F62-M77 HydrophobicContact CD1-CG 3.39Å; F62-M77 HydrophobicContact CD1-SD 4.1Å; F62-M77 HydrophobicContact CE1-CG 3.4Å; F62-M77 VanDerWaalsContact CE1-CG 3.4Å; F62-M77 HydrophobicContact CE1-SD 3.57Å; F62-M77 VanDerWaalsContact CE1-SD 3.57Å; F62-Y88 AromaticContact CE1-CE1 3.92Å; F62-Y88 HydrophobicContact CE1-CE1 3.92Å; F62-Y88 HydrophobicContact CZ-CE1 4.43Å
63	I	96.6	Very high	95.5	Very high	89 Å²	89	59.9 Å²	59.9	46%	0.456	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113	172	-57.7	172.6	0	0	0	107.8	Q76	I63-Q76 HydrophobicContact CB-CB 4.24Å; I63-Q76 PolarHBondContact N-O 2.92Å; I63-Q76 PolarHBondContact O-N 2.9Å
64	I	98.1	Very high	95.6	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.2	174.2	-58.8	172.6	0	0	0	108.7	I45 I52 Y54 L73 Y74 L75	I45-I64 HydrophobicContact CB-CG2 3.84Å; I45-I64 HydrophobicContact CD1-CG2 4.48Å; I45-I64 HydrophobicContact CG2-CG2 3.59Å; I52-I64 HydrophobicContact CG2-CB 4.19Å; I52-I64 HydrophobicContact CG2-CD1 4.46Å; Y54-I64 HydrophobicContact CD1-CD1 4.32Å; Y54-I64 HydrophobicContact CE1-CD1 3.81Å; Y54-I64 HydrophobicContact CE1-CG1 3.83Å; Y54-I64 PolarHBondContact OH-N 3.39Å; I64-L73 HydrophobicContact CG2-CD1 3.97Å; I64-Y74 WeakPolarHBondContact CA-O 3.22Å; I64-L75 HydrophobicContact CG1-CD1 3.7Å
65	S	98.3	Very high	95.6	Very high	37 Å²	37	56.5 Å²	56.5	26%	0.259	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.1	171.5	52.9	0	0	0	0	110.1	Y74	S65-Y74 PolarHBondContact N-O 2.96Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 2.85Å
66	R	98.4	Very high	95.6	Very high	25 Å²	25	58.6 Å²	58.6	9%	0.094	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.3	-178.6	63.1	-175.5	-66.3	159.1	2.7	111.5	F23 Y26 I45 N46 P47 S49 N68 T72 L73	F23-R66 HydrophobicContact CE1-CB 4.15Å; F23-R66 VanDerWaalsContact CE1-NH2 3.32Å; F23-R66 HydrophobicContact CZ-CB 4.12Å; F23-R66 PolarHBondContact O-NH2 2.92Å; Y26-R66 PolarHBondContact O-NH1 3.26Å; I45-R66 HydrophobicContact CD1-CG 4Å; I45-R66 HydrophobicContact CG1-CG 4.43Å; I45-R66 HydrophobicContact CG2-CB 4.46Å; N46-R66 VanDerWaalsContact C-NH1 3.32Å; N46-R66 VanDerWaalsContact O-CD 3.31Å; N46-R66 WeakPolarHBondContact O-CD 3.33Å; N46-R66 PolarHBondContact O-NH1 3.1Å; P47-R66 VanDerWaalsContact CA-NH1 3.26Å; S49-R66 WeakPolarHBondContact OG-CD 3.38Å; S49-R66 WeakPolarHBondContact OG-CG 3.38Å; R66-N68 PolarHBondContact NE-OD1 3.42Å; R66-N68 PolarHBondContact NH2-OD1 3.24Å; R66-T72 CarbonylContact C-O 3.58Å; R66-T72 WeakPolarHBondContact CA-O 3.43Å; R66-L73 HydrophobicContact CB-CD1 4.16Å
67	D	98.1	Very high	95.6	Very high	43 Å²	43	53 Å²	53	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106.3	171.6	-177.9	-22.9	0	0	0	108	A69 K70 N71 T72 Y74	D67-A69 WeakPolarHBondContact OD1-CB 3.42Å; D67-A69 PolarHBondContact OD1-N 3.28Å; D67-K70 HydrophobicContact CB-CB 4.24Å; D67-K70 CarbonylContact O-C 3.58Å; D67-K70 PolarHBondContact O-N 3.12Å; D67-K70 PolarHBondContact OD1-N 2.81Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 WeakPolarHBondContact OD2-CD 3.38Å; D67-K70 WeakPolarHBondContact OD2-CE 3.2Å; D67-K70 WeakPolarHBondContact OD2-CG 3.44Å; D67-K70 IonicContact OD2-NZ 2.78Å; D67-K70 PolarHBondContact OD2-NZ 3.06Å; D67-N71 PolarHBondContact O-N 2.76Å; D67-T72 PolarHBondContact N-O 2.82Å; D67-T72 PolarHBondContact O-N 2.83Å; D67-Y74 HydrophobicContact CB-CE2 3.8Å
68	N	97.8	Very high	95.5	Very high	57 Å²	57	50.8 Å²	50.8	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31	-177	-71.4	-17.4	0	0	0	112.3	F23 P47 R66 K70 N71	F23-N68 WeakPolarHBondContact CD1-OD1 3.32Å; F23-N68 WeakPolarHBondContact CE1-OD1 3.37Å; P47-N68 PolarHBondContact O-ND2 2.9Å; R66-N68 PolarHBondContact NE-OD1 3.42Å; R66-N68 PolarHBondContact NH2-OD1 3.24Å; N68-K70 PolarHBondContact O-N 2.85Å; N68-N71 PolarHBondContact O-N 2.67Å; N68-N71 PolarHBondContact O-OD1 3.36Å
69	A	96.9	Very high	95.5	Very high	97 Å²	97	58 Å²	58	80%	0.802	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.1	177.2	0	0	0	0	0	111.6	D67	D67-A69 WeakPolarHBondContact OD1-CB 3.42Å; D67-A69 PolarHBondContact OD1-N 3.28Å
70	K	97.3	Very high	95.7	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2.6	177.1	-60.9	-177.4	-166.7	158.7	0	114	D67 N68 T72	D67-K70 HydrophobicContact CB-CB 4.24Å; D67-K70 CarbonylContact O-C 3.58Å; D67-K70 PolarHBondContact O-N 3.12Å; D67-K70 PolarHBondContact OD1-N 2.81Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 WeakPolarHBondContact OD2-CD 3.38Å; D67-K70 WeakPolarHBondContact OD2-CE 3.2Å; D67-K70 WeakPolarHBondContact OD2-CG 3.44Å; D67-K70 IonicContact OD2-NZ 2.78Å; D67-K70 PolarHBondContact OD2-NZ 3.06Å; N68-K70 PolarHBondContact O-N 2.85Å; K70-T72 PolarHBondContact O-N 2.81Å; K70-T72 VanDerWaalsContact O-N 3.09Å; K70-T72 PolarHBondContact O-OG1 3.22Å
71	N	97.3	Very high	95.8	Very high	64 Å²	64	50.4 Å²	50.4	34%	0.342	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	39.1	-171.8	-61.4	-38.5	0	0	0	112.8	A18 F23 D67 N68	A18-N71 PolarHBondContact N-O 2.94Å; F23-N71 HydrophobicContact CB-CB 3.94Å; F23-N71 WeakPolarHBondContact CB-OD1 3.4Å; F23-N71 HydrophobicContact CD1-CB 4.44Å; F23-N71 HydrophobicContact CG-CB 4.19Å; D67-N71 PolarHBondContact O-N 2.76Å; N68-N71 PolarHBondContact O-N 2.67Å; N68-N71 PolarHBondContact O-OD1 3.36Å
72	T	98.1	Very high	95.8	Very high	15 Å²	15	52.4 Å²	52.4	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	-169.4	-59.5	0	0	0	0	111.7	C16 R66 D67 K70 Y74	C16-T72 CarbonylContact O-C 3.55Å; C16-T72 VanDerWaalsContact O-CA 3.32Å; C16-T72 WeakPolarHBondContact O-CA 3.38Å; R66-T72 CarbonylContact C-O 3.58Å; R66-T72 WeakPolarHBondContact CA-O 3.43Å; D67-T72 PolarHBondContact N-O 2.82Å; D67-T72 PolarHBondContact O-N 2.83Å; K70-T72 PolarHBondContact O-N 2.81Å; K70-T72 VanDerWaalsContact O-N 3.09Å; K70-T72 PolarHBondContact O-OG1 3.22Å; T72-Y74 HydrophobicContact CG2-CD1 4.09Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.49Å; T72-Y74 VanDerWaalsContact CG2-CE1 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.84Å
73	L	98.5	Very high	95.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.1	170.1	-170.9	71.2	0	0	0	110	S15 C16 F23 M28 W30 I45 I64 R66 C90	S15-L73 CarbonylContact C-O 3.52Å; S15-L73 WeakPolarHBondContact CA-O 3.01Å; C16-L73 HydrophobicContact CB-CB 4.48Å; C16-L73 PolarHBondContact N-O 2.95Å; C16-L73 PolarHBondContact O-N 3.11Å; F23-L73 HydrophobicContact CE2-CB 4.23Å; F23-L73 HydrophobicContact CZ-CB 4.15Å; M28-L73 HydrophobicContact CB-CD1 3.81Å; M28-L73 HydrophobicContact CB-CD2 3.94Å; M28-L73 HydrophobicContact CB-CG 4.38Å; W30-L73 HydrophobicContact CD2-CD2 4.34Å; W30-L73 HydrophobicContact CG-CD2 4.19Å; W30-L73 HydrophobicContact CZ2-CD2 4.45Å; W30-L73 VanDerWaalsContact NE1-CD2 3.26Å; I45-L73 HydrophobicContact CG2-CD1 3.51Å; I64-L73 HydrophobicContact CG2-CD1 3.97Å; R66-L73 HydrophobicContact CB-CD1 4.16Å; L73-C90 HydrophobicContact CD2-CB 4.02Å
74	Y	98.2	Very high	95.6	Very high	39 Å²	39	54 Å²	54	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.3	179.1	-54.8	-82.9	0	0	0	112	K13 L14 W30 I64 S65 D67 T72	K13-Y74 HydrophobicContact CD-CD1 4.35Å; K13-Y74 VanDerWaalsContact CE-CB 3.42Å; K13-Y74 VanDerWaalsContact CE-CD1 3.41Å; K13-Y74 HydrophobicContact CG-CD1 4.36Å; L14-Y74 VanDerWaalsContact O-CA 3.22Å; L14-Y74 WeakPolarHBondContact O-CA 3.32Å; W30-Y74 PolarHBondContact NE1-O 2.84Å; I64-Y74 WeakPolarHBondContact CA-O 3.22Å; S65-Y74 PolarHBondContact N-O 2.96Å; S65-Y74 VanDerWaalsContact N-O 3.11Å; S65-Y74 PolarHBondContact O-N 2.85Å; D67-Y74 HydrophobicContact CB-CE2 3.8Å; T72-Y74 HydrophobicContact CG2-CD1 4.09Å; T72-Y74 HydrophobicContact CG2-CD2 4.4Å; T72-Y74 HydrophobicContact CG2-CE1 3.49Å; T72-Y74 VanDerWaalsContact CG2-CE1 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.84Å
75	L	97.9	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	109.1	170.3	-170.5	69.2	0	0	0	108.4	K13 L14 W30 I42 F62 I64 M77 Y88	K13-L75 CarbonylContact C-O 3.54Å; K13-L75 WeakPolarHBondContact CA-O 3.35Å; L14-L75 HydrophobicContact CB-CB 4.3Å; L14-L75 HydrophobicContact CD1-CD2 4.43Å; L14-L75 PolarHBondContact N-O 2.98Å; L14-L75 PolarHBondContact O-N 3.05Å; W30-L75 HydrophobicContact CB-CD1 4.28Å; W30-L75 HydrophobicContact CB-CD2 4.41Å; W30-L75 HydrophobicContact CD2-CB 3.86Å; W30-L75 HydrophobicContact CD2-CD2 4.08Å; W30-L75 HydrophobicContact CD2-CG 4.41Å; W30-L75 HydrophobicContact CE3-CD2 4.26Å; W30-L75 HydrophobicContact CG-CB 4.1Å; W30-L75 HydrophobicContact CG-CD1 3.98Å; W30-L75 HydrophobicContact CG-CD2 4.14Å; W30-L75 HydrophobicContact CG-CG 4.32Å; W30-L75 HydrophobicContact CZ2-CB 3.95Å; I42-L75 HydrophobicContact CD1-CD2 3.93Å; I42-L75 HydrophobicContact CG2-CD1 4.31Å; F62-L75 HydrophobicContact CB-CD1 3.85Å; F62-L75 HydrophobicContact CD1-CD1 3.89Å; F62-L75 HydrophobicContact CD1-CD2 3.72Å; F62-L75 HydrophobicContact CD1-CG 3.83Å; F62-L75 HydrophobicContact CE1-CD2 4.08Å; F62-L75 HydrophobicContact CG-CD1 4.23Å; I64-L75 HydrophobicContact CG1-CD1 3.7Å; L75-M77 HydrophobicContact CD2-SD 4.43Å; L75-M77 HydrophobicContact CG-CG 4.45Å; L75-Y88 HydrophobicContact CD2-CD1 3.64Å; L75-Y88 HydrophobicContact CD2-CE1 3.79Å
76	Q	96.1	Very high	95.4	Very high	75 Å²	75	53.9 Å²	53.9	35%	0.35	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.4	173.2	178.2	170	-17.3	0	0	109.8	L12 K13 F62 I63	L12-Q76 WeakPolarHBondContact O-CA 3.39Å; K13-Q76 HydrophobicContact CG-CB 4.46Å; F62-Q76 WeakPolarHBondContact CA-O 3.4Å; I63-Q76 HydrophobicContact CB-CB 4.24Å; I63-Q76 PolarHBondContact N-O 2.92Å; I63-Q76 PolarHBondContact O-N 2.9Å
77	M	93.6	Very high	95.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.8	-178.7	-66.4	169.5	-75.2	0	0	108.5	S11 L12 L14 F62 L75 V80 Y88 L108	S11-M77 CarbonylContact C-O 3.59Å; S11-M77 WeakPolarHBondContact CA-O 3.49Å; S11-M77 WeakPolarHBondContact CB-O 3.42Å; L12-M77 HydrophobicContact CB-CE 4.17Å; L12-M77 HydrophobicContact CD2-CE 3.95Å; L12-M77 HydrophobicContact CG-CE 4.23Å; L12-M77 PolarHBondContact N-O 2.96Å; L12-M77 PolarHBondContact O-N 3.14Å; L14-M77 HydrophobicContact CD1-CE 3.65Å; L14-M77 HydrophobicContact CD2-CE 4.27Å; L14-M77 HydrophobicContact CG-CE 3.51Å; F62-M77 HydrophobicContact CD1-CG 3.39Å; F62-M77 HydrophobicContact CD1-SD 4.1Å; F62-M77 HydrophobicContact CE1-CG 3.4Å; F62-M77 VanDerWaalsContact CE1-CG 3.4Å; F62-M77 HydrophobicContact CE1-SD 3.57Å; F62-M77 VanDerWaalsContact CE1-SD 3.57Å; L75-M77 HydrophobicContact CD2-SD 4.43Å; L75-M77 HydrophobicContact CG-CG 4.45Å; M77-V80 HydrophobicContact CB-CG1 3.85Å; M77-Y88 HydrophobicContact SD-CE1 4.17Å; M77-L108 HydrophobicContact CE-CD2 3.83Å; M77-L108 HydrophobicContact SD-CD2 3.78Å
78	S	89.7	Confident	95.3	Very high	49 Å²	49	53.5 Å²	53.5	34%	0.343	28%	0.279	S	S	.	.	S	Bend	trans	-118.9	147.6	175.8	-57.3	0	0	0	0	110.2	V80	S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.24Å
79	K	90.2	Very high	95.3	Very high	164 Å²	164	52.6 Å²	52.6	71%	0.713	27%	0.272	S	S	*	.	S	Bend	trans	54	50.6	178.6	-55.9	176.5	-179.8	176.8	0	111.6	G10 R81	G10-K79 WeakPolarHBondContact O-CA 3.28Å; G10-K79 PolarHBondContact O-N 2.85Å; K79-R81 WeakPolarHBondContact O-CG 3.36Å
80	V	92.1	Very high	95.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.236	C	C	.	.			trans	-57.5	141.2	-178.3	-63.6	0	0	0	0	111.1	V6 P8 G9 G10 M77 S78 D84 V110	V6-V80 HydrophobicContact CG2-CG2 3.86Å; P8-V80 CarbonylContact C-O 3.53Å; P8-V80 WeakPolarHBondContact CA-O 3.27Å; G9-V80 PolarHBondContact N-O 3.39Å; G10-V80 PolarHBondContact O-N 2.94Å; M77-V80 HydrophobicContact CB-CG1 3.85Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.24Å; V80-D84 WeakPolarHBondContact CA-OD2 3.19Å; V80-V110 HydrophobicContact CB-CG1 4.47Å; V80-V110 HydrophobicContact CB-CG2 4.21Å; V80-V110 HydrophobicContact CG2-CG1 4.12Å; V80-V110 HydrophobicContact CG2-CG2 4.39Å
81	R	92.9	Very high	95.3	Very high	128 Å²	128	42.2 Å²	42.2	48%	0.483	21%	0.21	S	C	.	.			trans	-125.8	166.5	-179.6	-55.8	-171.5	-60.1	-150	-1.5	109.8	K79 E83 D84 V110	K79-R81 WeakPolarHBondContact O-CG 3.36Å; R81-E83 IonicContact CZ-OE2 3.68Å; R81-E83 VanDerWaalsContact CZ-OE2 3.26Å; R81-E83 IonicContact NE-OE2 2.67Å; R81-E83 PolarHBondContact NE-OE2 2.78Å; R81-E83 IonicContact NH2-OE2 2.73Å; R81-E83 PolarHBondContact NH2-OE2 3.05Å; R81-E83 PolarHBondContact O-N 3.24Å; R81-E83 VanDerWaalsContact O-N 3.12Å; R81-D84 PolarHBondContact N-OD2 2.84Å; R81-D84 WeakPolarHBondContact O-CB 3.48Å; R81-D84 PolarHBondContact O-N 3.31Å; R81-V110 VanDerWaalsContact O-CB 3.32Å; R81-V110 WeakPolarHBondContact O-CB 3.29Å; R81-V110 WeakPolarHBondContact O-CG2 3.38Å
82	S	91.9	Very high	95.3	Very high	81 Å²	81	40 Å²	40	57%	0.566	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-51.3	-35.6	174.8	51.3	0	0	0	0	113	D84 T85	S82-D84 PolarHBondContact O-N 3.09Å; S82-T85 WeakPolarHBondContact O-CB 3.26Å; S82-T85 PolarHBondContact O-N 2.97Å; S82-T85 PolarHBondContact O-OG1 3.05Å
83	E	91.8	Very high	94.9	Very high	122 Å²	122	40.5 Å²	40.5	57%	0.57	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-60.6	-18.3	174.8	-62.7	163.4	-161.9	0	0	114.8	R81 T85	R81-E83 IonicContact CZ-OE2 3.68Å; R81-E83 VanDerWaalsContact CZ-OE2 3.26Å; R81-E83 IonicContact NE-OE2 2.67Å; R81-E83 PolarHBondContact NE-OE2 2.78Å; R81-E83 IonicContact NH2-OE2 2.73Å; R81-E83 PolarHBondContact NH2-OE2 3.05Å; R81-E83 PolarHBondContact O-N 3.24Å; R81-E83 VanDerWaalsContact O-N 3.12Å; E83-T85 VanDerWaalsContact C-N 3.27Å
84	D	93.7	Very high	94.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-86.6	0.1	175	-58.1	-50.1	0	0	0	112.7	R32 K61 V80 R81 S82 A86 Y88 L108 V110	R32-D84 IonicContact NH1-OD1 3.52Å; K61-D84 WeakPolarHBondContact CE-OD1 3.37Å; K61-D84 WeakPolarHBondContact CE-OD2 3.41Å; K61-D84 IonicContact NZ-OD1 3.46Å; K61-D84 PolarHBondContact NZ-OD1 3Å; K61-D84 IonicContact NZ-OD2 3.36Å; K61-D84 PolarHBondContact NZ-OD2 3.2Å; V80-D84 WeakPolarHBondContact CA-OD2 3.19Å; R81-D84 PolarHBondContact N-OD2 2.84Å; R81-D84 WeakPolarHBondContact O-CB 3.48Å; R81-D84 PolarHBondContact O-N 3.31Å; S82-D84 PolarHBondContact O-N 3.09Å; D84-A86 PolarHBondContact O-N 3.08Å; D84-A86 VanDerWaalsContact O-N 3.07Å; D84-Y88 WeakPolarHBondContact O-CE2 3.47Å; D84-Y88 PolarHBondContact O-OH 2.81Å; D84-L108 HydrophobicContact CB-CD2 4.48Å; D84-V110 HydrophobicContact CB-CG2 4.27Å
85	T	95.6	Very high	93.6	Very high	34 Å²	34	49.4 Å²	49.4	21%	0.209	24%	0.242	C	C	.	.			trans	-65.1	110.9	172.4	-62.7	0	0	0	0	109.4	P35 S82 E83 L108 T109 V110	P35-T85 VanDerWaalsContact CD-O 3.27Å; P35-T85 WeakPolarHBondContact CD-O 3.37Å; S82-T85 WeakPolarHBondContact O-CB 3.26Å; S82-T85 PolarHBondContact O-N 2.97Å; S82-T85 PolarHBondContact O-OG1 3.05Å; E83-T85 VanDerWaalsContact C-N 3.27Å; T85-L108 VanDerWaalsContact CA-O 3.31Å; T85-L108 WeakPolarHBondContact CA-O 3.22Å; T85-T109 HydrophobicContact CG2-CG2 4.43Å; T85-V110 PolarHBondContact OG1-N 2.95Å
86	A	96.7	Very high	93	Very high	4 Å²	4	56 Å²	56	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	165.5	-176.9	0	0	0	0	0	111.2	R32 Q33 A34 D84 Y88 L108	R32-A86 HydrophobicContact CB-CB 4.1Å; Q33-A86 WeakPolarHBondContact O-CA 3.23Å; Q33-A86 WeakPolarHBondContact O-CB 3.3Å; A34-A86 HydrophobicContact CB-CB 4.47Å; D84-A86 PolarHBondContact O-N 3.08Å; D84-A86 VanDerWaalsContact O-N 3.07Å; A86-Y88 HydrophobicContact CB-CD2 4.18Å; A86-Y88 HydrophobicContact CB-CE2 3.69Å; A86-Y88 WeakPolarHBondContact O-CD2 2.97Å; A86-L108 PolarHBondContact N-O 2.97Å; A86-L108 VanDerWaalsContact N-O 3.14Å; A86-L108 PolarHBondContact O-N 2.74Å
87	L	97.5	Very high	92.2	Very high	59 Å²	59	60.1 Å²	60.1	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.6	158.7	-84.5	157	0	0	0	109	R32 Q33 Y89 T107	R32-L87 CarbonylContact C-O 3.44Å; R32-L87 WeakPolarHBondContact CA-O 3.32Å; Q33-L87 HydrophobicContact CB-CB 4.47Å; Q33-L87 PolarHBondContact N-O 2.82Å; Q33-L87 PolarHBondContact O-N 2.81Å; L87-Y89 HydrophobicContact CB-CE2 3.66Å; L87-Y89 WeakPolarHBondContact CD1-OH 3.49Å; L87-T107 VanDerWaalsContact CD2-OG1 3.28Å; L87-T107 WeakPolarHBondContact CD2-OG1 3.05Å
88	Y	97.7	Very high	91.9	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	179.4	-73.2	-100.1	0	0	0	110.4	L14 R32 I42 F62 L75 M77 D84 A86 G105 T106 L108	L14-Y88 HydrophobicContact CD1-CD1 3.98Å; L14-Y88 HydrophobicContact CD1-CD2 4.07Å; L14-Y88 HydrophobicContact CD1-CG 3.65Å; R32-Y88 HydrophobicContact CB-CD1 3.89Å; R32-Y88 HydrophobicContact CB-CE1 3.9Å; R32-Y88 HydrophobicContact CB-CG 4.3Å; I42-Y88 HydrophobicContact CD1-CD1 3.81Å; I42-Y88 HydrophobicContact CD1-CE1 3.72Å; F62-Y88 AromaticContact CE1-CE1 3.92Å; F62-Y88 HydrophobicContact CE1-CE1 3.92Å; F62-Y88 HydrophobicContact CZ-CE1 4.43Å; L75-Y88 HydrophobicContact CD2-CD1 3.64Å; L75-Y88 HydrophobicContact CD2-CE1 3.79Å; M77-Y88 HydrophobicContact SD-CE1 4.17Å; D84-Y88 WeakPolarHBondContact O-CE2 3.47Å; D84-Y88 PolarHBondContact O-OH 2.81Å; A86-Y88 HydrophobicContact CB-CD2 4.18Å; A86-Y88 HydrophobicContact CB-CE2 3.69Å; A86-Y88 WeakPolarHBondContact O-CD2 2.97Å; Y88-G105 CarbonylContact O-C 3.57Å; Y88-G105 VanDerWaalsContact O-CA 3.23Å; Y88-G105 WeakPolarHBondContact O-CA 3.2Å; Y88-T106 PolarHBondContact N-O 2.95Å; Y88-T106 PolarHBondContact O-N 3.29Å; Y88-L108 HydrophobicContact CD2-CB 3.93Å; Y88-L108 HydrophobicContact CE2-CB 3.74Å; Y88-L108 HydrophobicContact CE2-CD2 3.87Å; Y88-L108 HydrophobicContact CE2-CG 4.41Å
89	Y	97.8	Very high	92.1	Very high	39 Å²	39	66.4 Å²	66.4	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139	-179	-53.9	-89	0	0	0	109.8	W30 V31 Q33 L39 L87 W102	W30-Y89 CarbonylContact C-O 3.43Å; W30-Y89 WeakPolarHBondContact CA-O 3.48Å; V31-Y89 PolarHBondContact N-O 3.11Å; V31-Y89 PolarHBondContact O-N 3.29Å; Q33-Y89 HydrophobicContact CB-CE2 4.14Å; L39-Y89 HydrophobicContact CD2-CD2 4.32Å; L39-Y89 HydrophobicContact CD2-CE2 4.22Å; L87-Y89 HydrophobicContact CB-CE2 3.66Å; L87-Y89 WeakPolarHBondContact CD1-OH 3.49Å; Y89-W102 HydrophobicContact CG-CE3 4.27Å; Y89-W102 HydrophobicContact CG-CZ3 4.39Å
90	C	97.3	Very high	92.2	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.061	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.9	157.6	52.2	0	0	0	0	108.7	C16 S29 L73 G103	C16-C90 HydrophobicContact CB-CB 3.44Å; C16-C90 VanDerWaalsContact CB-CB 3.44Å; C16-C90 WeakPolarHBondContact CB-SG 3.38Å; C16-C90 WeakPolarHBondContact SG-CB 3.47Å; C16-C90 CovalentContact SG-SG 2.01Å; C16-C90 PolarHBondContact SG-SG 3.01Å; S29-C90 CarbonylContact O-C 3.55Å; S29-C90 VanDerWaalsContact O-CA 3.27Å; S29-C90 WeakPolarHBondContact O-CA 3.4Å; L73-C90 HydrophobicContact CD2-CB 4.02Å; C90-G103 PolarHBondContact O-N 3Å
91	A	97.3	Very high	92.2	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.4	177.2	0	0	0	0	0	111.3	S29 F99 Y101 W102	S29-A91 PolarHBondContact N-O 3.12Å; S29-A91 PolarHBondContact O-N 2.81Å; A91-F99 HydrophobicContact CB-CB 4.14Å; A91-F99 HydrophobicContact CB-CD1 3.56Å; A91-F99 HydrophobicContact CB-CE1 4.12Å; A91-F99 HydrophobicContact CB-CG 3.83Å; A91-Y101 CarbonylContact C-O 3.55Å; A91-Y101 WeakPolarHBondContact CA-O 3.5Å; A91-W102 HydrophobicContact CB-CD2 4.03Å; A91-W102 HydrophobicContact CB-CE3 3.97Å; A91-W102 HydrophobicContact CB-CH2 4.47Å; A91-W102 HydrophobicContact CB-CZ3 4.19Å
92	R	96.1	Very high	92.4	Very high	18 Å²	18	65.6 Å²	65.6	7%	0.068	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	172.8	-171.6	-175.3	79.7	176	15.2	109.3	F21 Y26 M28 F99 D100 Y101	F21-R92 HydrophobicContact CE2-CG 4.39Å; F21-R92 HydrophobicContact CZ-CB 4.46Å; Y26-R92 HydrophobicContact CD1-CG 4.23Å; Y26-R92 HydrophobicContact CG-CG 4.19Å; M28-R92 HydrophobicContact CE-CB 4.43Å; M28-R92 HydrophobicContact SD-CB 4.12Å; M28-R92 HydrophobicContact SD-CG 4.13Å; R92-F99 WeakPolarHBondContact O-CA 3.21Å; R92-D100 IonicContact CZ-OD1 2.62Å; R92-D100 IonicContact CZ-OD2 2.62Å; R92-D100 IonicContact NE-OD1 3.54Å; R92-D100 PolarHBondContact NE-OD1 3.1Å; R92-D100 IonicContact NE-OD2 3.19Å; R92-D100 VanDerWaalsContact NH2-CG 3.26Å; R92-D100 IonicContact NH2-OD1 3.26Å; R92-D100 PolarHBondContact NH2-OD1 3.38Å; R92-D100 IonicContact NH2-OD2 3.26Å; R92-D100 PolarHBondContact NH2-OD2 3.39Å; R92-D100 PolarHBondContact O-N 3.01Å; R92-D100 VanDerWaalsContact O-N 3.16Å; R92-D100 VanDerWaalsContact O-OD1 3.04Å; R92-Y101 PolarHBondContact N-O 2.73Å; R92-Y101 VanDerWaalsContact NH2-CD2 3.34Å
93	P	91.4	Very high	92.5	Very high	25 Å²	25	62.9 Å²	62.9	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.7	169.6	28.5	-32.9	0	0	0	110.5	W27 F99	W27-P93 HydrophobicContact CB-CG 3.71Å; W27-P93 WeakPolarHBondContact O-CD 3.23Å; P93-F99 HydrophobicContact CB-CD1 4.24Å; P93-F99 HydrophobicContact CB-CE1 4.04Å
94	S	87.9	Confident	92.6	Very high	17 Å²	17	66.1 Å²	66.1	12%	0.119	31%	0.314	C	S	.	.			trans	-83.2	170	170.9	86.1	0	0	0	0	110.3	E96 N97 Y98 D100	S94-E96 PolarHBondContact O-N 2.63Å; S94-E96 PolarHBondContact OG-N 3.39Å; S94-E96 VanDerWaalsContact OG-N 3.1Å; S94-N97 PolarHBondContact O-N 3.24Å; S94-Y98 WeakPolarHBondContact CB-O 3.31Å; S94-Y98 PolarHBondContact N-O 3.02Å; S94-Y98 PolarHBondContact OG-O 3.09Å; S94-D100 WeakPolarHBondContact CB-OD2 3.35Å
95	K	81.6	Confident	92.6	Very high	208 Å²	208	67.2 Å²	67.2	90%	0.904	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.6	173.6	-66.4	-176.1	178.1	-179	0	113.5
96	E	83.9	Confident	92.5	Very high	139 Å²	139	66.5 Å²	66.5	65%	0.65	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	18.6	-176.3	-67.6	179.8	178.9	0	0	112	S94 Y98	S94-E96 PolarHBondContact O-N 2.63Å; S94-E96 PolarHBondContact OG-N 3.39Å; S94-E96 VanDerWaalsContact OG-N 3.1Å; E96-Y98 VanDerWaalsContact C-N 3.35Å; E96-Y98 HydrophobicContact CB-CD1 3.79Å; E96-Y98 HydrophobicContact CB-CE1 3.34Å; E96-Y98 HydrophobicContact CG-CE1 4.3Å; E96-Y98 PolarHBondContact O-N 3.04Å; E96-Y98 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y98 PolarHBondContact OE2-OH 3.16Å; E96-Y98 VanDerWaalsContact OE2-OH 3.07Å
97	N	79.6	Confident	92.4	Very high	161 Å²	161	70 Å²	70	86%	0.861	34%	0.341	S	S	*	.	S	Bend	trans	64.1	27.8	175.5	-55.1	-49.2	0	0	0	115.5	S94	S94-N97 PolarHBondContact O-N 3.24Å
98	Y	87.5	Confident	92.3	Very high	122 Å²	122	67.1 Å²	67.1	48%	0.478	33%	0.327	S	S	.	.	S	Bend	trans	-125.1	166.7	166.9	59.9	-96.4	0	0	0	111.5	S94 E96 D100	S94-Y98 WeakPolarHBondContact CB-O 3.31Å; S94-Y98 PolarHBondContact N-O 3.02Å; S94-Y98 PolarHBondContact OG-O 3.09Å; E96-Y98 VanDerWaalsContact C-N 3.35Å; E96-Y98 HydrophobicContact CB-CD1 3.79Å; E96-Y98 HydrophobicContact CB-CE1 3.34Å; E96-Y98 HydrophobicContact CG-CE1 4.3Å; E96-Y98 PolarHBondContact O-N 3.04Å; E96-Y98 WeakPolarHBondContact OE2-CE1 3.4Å; E96-Y98 PolarHBondContact OE2-OH 3.16Å; E96-Y98 VanDerWaalsContact OE2-OH 3.07Å; Y98-D100 HydrophobicContact CD2-CB 4.34Å; Y98-D100 HydrophobicContact CE2-CB 4Å
99	F	93.3	Very high	92	Very high	60 Å²	60	69.8 Å²	69.8	26%	0.263	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.9	177.2	-63.7	-63.2	0	0	0	111	S29 V31 W41 A91 R92 P93 W102	S29-F99 WeakPolarHBondContact OG-CE1 3.32Å; V31-F99 HydrophobicContact CG2-CE2 4.31Å; V31-F99 HydrophobicContact CG2-CZ 4.41Å; W41-F99 AromaticContact CD1-CZ 3.71Å; A91-F99 HydrophobicContact CB-CB 4.14Å; A91-F99 HydrophobicContact CB-CD1 3.56Å; A91-F99 HydrophobicContact CB-CE1 4.12Å; A91-F99 HydrophobicContact CB-CG 3.83Å; R92-F99 WeakPolarHBondContact O-CA 3.21Å; P93-F99 HydrophobicContact CB-CD1 4.24Å; P93-F99 HydrophobicContact CB-CE1 4.04Å; F99-W102 HydrophobicContact CB-CD2 4.49Å; F99-W102 VanDerWaalsContact CB-CE2 3.49Å; F99-W102 HydrophobicContact CB-CZ2 3.54Å; F99-W102 VanDerWaalsContact CB-NE1 3.3Å; F99-W102 AromaticContact CD2-CH2 3.86Å; F99-W102 HydrophobicContact CD2-CH2 3.86Å; F99-W102 AromaticContact CD2-CZ2 3.44Å; F99-W102 HydrophobicContact CD2-CZ2 3.44Å; F99-W102 VanDerWaalsContact CD2-CZ2 3.44Å; F99-W102 HydrophobicContact CE2-CH2 4.46Å; F99-W102 HydrophobicContact CE2-CZ2 4.44Å; F99-W102 HydrophobicContact CG-CH2 4.37Å; F99-W102 AromaticContact CG-CZ2 3.75Å; F99-W102 HydrophobicContact CG-CZ2 3.75Å; F99-W102 PolarHBondContact O-NE1 2.74Å
100	D	91.8	Very high	91.7	Very high	60 Å²	60	68.1 Å²	68.1	32%	0.321	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-18.4	-177.9	57.5	1.5	0	0	0	113.5	R92 S94 Y98	R92-D100 IonicContact CZ-OD1 2.62Å; R92-D100 IonicContact CZ-OD2 2.62Å; R92-D100 IonicContact NE-OD1 3.54Å; R92-D100 PolarHBondContact NE-OD1 3.1Å; R92-D100 IonicContact NE-OD2 3.19Å; R92-D100 VanDerWaalsContact NH2-CG 3.26Å; R92-D100 IonicContact NH2-OD1 3.26Å; R92-D100 PolarHBondContact NH2-OD1 3.38Å; R92-D100 IonicContact NH2-OD2 3.26Å; R92-D100 PolarHBondContact NH2-OD2 3.39Å; R92-D100 PolarHBondContact O-N 3.01Å; R92-D100 VanDerWaalsContact O-N 3.16Å; R92-D100 VanDerWaalsContact O-OD1 3.04Å; S94-D100 WeakPolarHBondContact CB-OD2 3.35Å; Y98-D100 HydrophobicContact CD2-CB 4.34Å; Y98-D100 HydrophobicContact CE2-CB 4Å
101	Y	93.8	Very high	91.1	Very high	107 Å²	107	70.2 Å²	70.2	42%	0.42	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.6	172.2	-70.6	-108.6	0	0	0	110.6	F21 A91 R92	F21-Y101 HydrophobicContact CD1-CD1 4.12Å; F21-Y101 HydrophobicContact CD1-CE1 4.27Å; F21-Y101 HydrophobicContact CD1-CG 4.45Å; F21-Y101 HydrophobicContact CE1-CD1 4.22Å; F21-Y101 HydrophobicContact CE1-CG 4.35Å; A91-Y101 CarbonylContact C-O 3.55Å; A91-Y101 WeakPolarHBondContact CA-O 3.5Å; R92-Y101 PolarHBondContact N-O 2.73Å; R92-Y101 VanDerWaalsContact NH2-CD2 3.34Å
102	W	95.9	Very high	89.9	Confident	108 Å²	108	76.8 Å²	76.8	41%	0.409	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	176.8	-69.8	82.4	0	0	0	110.4	V31 L39 Y89 A91 F99	V31-W102 HydrophobicContact CB-CH2 4.29Å; V31-W102 HydrophobicContact CB-CZ3 3.91Å; V31-W102 HydrophobicContact CG1-CH2 4.13Å; V31-W102 HydrophobicContact CG1-CZ3 4.03Å; V31-W102 HydrophobicContact CG2-CH2 4.01Å; V31-W102 HydrophobicContact CG2-CZ3 3.97Å; L39-W102 HydrophobicContact CD1-CH2 4Å; Y89-W102 HydrophobicContact CG-CE3 4.27Å; Y89-W102 HydrophobicContact CG-CZ3 4.39Å; A91-W102 HydrophobicContact CB-CD2 4.03Å; A91-W102 HydrophobicContact CB-CE3 3.97Å; A91-W102 HydrophobicContact CB-CH2 4.47Å; A91-W102 HydrophobicContact CB-CZ3 4.19Å; F99-W102 HydrophobicContact CB-CD2 4.49Å; F99-W102 VanDerWaalsContact CB-CE2 3.49Å; F99-W102 HydrophobicContact CB-CZ2 3.54Å; F99-W102 VanDerWaalsContact CB-NE1 3.3Å; F99-W102 AromaticContact CD2-CH2 3.86Å; F99-W102 HydrophobicContact CD2-CH2 3.86Å; F99-W102 AromaticContact CD2-CZ2 3.44Å; F99-W102 HydrophobicContact CD2-CZ2 3.44Å; F99-W102 VanDerWaalsContact CD2-CZ2 3.44Å; F99-W102 HydrophobicContact CE2-CH2 4.46Å; F99-W102 HydrophobicContact CE2-CZ2 4.44Å; F99-W102 HydrophobicContact CG-CH2 4.37Å; F99-W102 AromaticContact CG-CZ2 3.75Å; F99-W102 HydrophobicContact CG-CZ2 3.75Å; F99-W102 PolarHBondContact O-NE1 2.74Å
103	G	94.8	Very high	89.6	Confident	25 Å²	25	79.8 Å²	79.8	26%	0.258	41%	0.414	S	S	.	.			trans	-70	161	165.4	0	0	0	0	0	111.3	C90 G105	C90-G103 PolarHBondContact O-N 3Å; G103-G105 PolarHBondContact O-N 3.24Å
104	Q	93.1	Very high	89.5	Confident	190 Å²	190	82.6 Å²	82.6	89%	0.888	43%	0.427	S	S	*	.			trans	-62.3	-12.2	177.8	-65.7	-63.9	-30.7	0	0	114
105	G	93.4	Very high	89.6	Confident	23 Å²	23	86.3 Å²	86.3	24%	0.237	45%	0.445	C	S	.	.			trans	84.7	157	-174.4	0	0	0	0	0	112.3	Y88 G103	Y88-G105 CarbonylContact O-C 3.57Å; Y88-G105 VanDerWaalsContact O-CA 3.23Å; Y88-G105 WeakPolarHBondContact O-CA 3.2Å; G103-G105 PolarHBondContact O-N 3.24Å
106	T	94.9	Very high	90.1	Very high	19 Å²	19	79.1 Å²	79.1	12%	0.117	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.2	170.5	-167.5	0	0	0	0	108.8	G3 L14 Y88	G3-T106 WeakPolarHBondContact CA-OG1 3.11Å; L14-T106 HydrophobicContact CD1-CG2 3.91Å; L14-T106 HydrophobicContact CD2-CG2 3.96Å; L14-T106 HydrophobicContact CG-CG2 4.38Å; Y88-T106 PolarHBondContact N-O 2.95Å; Y88-T106 PolarHBondContact O-N 3.29Å
107	T	94.6	Very high	90.5	Very high	77 Å²	77	75.4 Å²	75.4	47%	0.472	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.5	175.9	-50	0	0	0	0	109.4	G3 G4 L87	G3-T107 CarbonylContact C-O 3.59Å; G3-T107 WeakPolarHBondContact CA-O 3.45Å; G4-T107 PolarHBondContact N-O 3.1Å; L87-T107 VanDerWaalsContact CD2-OG1 3.28Å; L87-T107 WeakPolarHBondContact CD2-OG1 3.05Å
108	L	93.8	Very high	91.2	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.6	164.3	176.4	61.4	0	0	0	107.9	V6 L12 M77 D84 T85 A86 Y88 V110	V6-L108 HydrophobicContact CG1-CD1 4.29Å; V6-L108 HydrophobicContact CG2-CD1 3.66Å; L12-L108 HydrophobicContact CD2-CD1 3.38Å; L12-L108 HydrophobicContact CD2-CD2 4.32Å; L12-L108 HydrophobicContact CD2-CG 4.45Å; M77-L108 HydrophobicContact CE-CD2 3.83Å; M77-L108 HydrophobicContact SD-CD2 3.78Å; D84-L108 HydrophobicContact CB-CD2 4.48Å; T85-L108 VanDerWaalsContact CA-O 3.31Å; T85-L108 WeakPolarHBondContact CA-O 3.22Å; A86-L108 PolarHBondContact N-O 2.97Å; A86-L108 VanDerWaalsContact N-O 3.14Å; A86-L108 PolarHBondContact O-N 2.74Å; Y88-L108 HydrophobicContact CD2-CB 3.93Å; Y88-L108 HydrophobicContact CE2-CB 3.74Å; Y88-L108 HydrophobicContact CE2-CD2 3.87Å; Y88-L108 HydrophobicContact CE2-CG 4.41Å; L108-V110 HydrophobicContact CD2-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 4.12Å
109	T	93.1	Very high	91.5	Very high	56 Å²	56	65.9 Å²	65.9	34%	0.344	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125	173.5	-56.3	0	0	0	0	108.8	G4 L5 V6 T85	G4-T109 PolarHBondContact O-N 3.23Å; G4-T109 VanDerWaalsContact O-N 3.14Å; L5-T109 WeakPolarHBondContact CA-O 3.22Å; L5-T109 HydrophobicContact CD1-CG2 4.07Å; V6-T109 PolarHBondContact N-O 3.26Å; T85-T109 HydrophobicContact CG2-CG2 4.43Å
110	V	90.3	Very high	91.3	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.8	176.6	-169.3	0	0	0	0	108.1	V6 P8 V80 R81 D84 T85 L108	V6-V110 HydrophobicContact CG2-CB 4.34Å; V6-V110 HydrophobicContact CG2-CG1 4.34Å; V6-V110 HydrophobicContact CG2-CG2 3.72Å; V6-V110 WeakPolarHBondContact O-CA 3.48Å; P8-V110 HydrophobicContact CB-CG1 4.37Å; P8-V110 HydrophobicContact CG-CG1 4.1Å; V80-V110 HydrophobicContact CB-CG1 4.47Å; V80-V110 HydrophobicContact CB-CG2 4.21Å; V80-V110 HydrophobicContact CG2-CG1 4.12Å; V80-V110 HydrophobicContact CG2-CG2 4.39Å; R81-V110 VanDerWaalsContact O-CB 3.32Å; R81-V110 WeakPolarHBondContact O-CB 3.29Å; R81-V110 WeakPolarHBondContact O-CG2 3.38Å; D84-V110 HydrophobicContact CB-CG2 4.27Å; T85-V110 PolarHBondContact OG1-N 2.95Å; L108-V110 HydrophobicContact CD2-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 4.12Å
111	S	85.5	Confident	91.3	Very high	52 Å²	52	66.9 Å²	66.9	36%	0.364	38%	0.377	S	S	.	.			trans	-137.3	148.7	176.2	72.1	0	0	0	0	110.7	L5 V6	L5-S111 VanDerWaalsContact CD1-OG 3.22Å; L5-S111 WeakPolarHBondContact CD1-OG 3.24Å; V6-S111 PolarHBondContact O-N 2.99Å
112	S	72.1	Confident	91.1	Very high	141 Å²	141	63.3 Å²	63.3	99%	0.986	37%	0.373	S	S	*	.			trans	-69.6	0	169.9	56.7	0	0	0	0	111.2	Q7	Q7-S112 PolarHBondContact NE2-OXT 3.37Å; Q7-S112 PolarHBondContact OE1-OXT 3.03Å

Retrieved 112 of 112 residues in 23 ms (Link to these results)

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